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 1uvn_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 0.000 177.281 177.300 -0.032 0.000 1.155 1 P CA 0.000 63.077 63.100 -0.038 0.000 0.800 1 P CB 0.000 31.679 31.700 -0.035 0.000 0.726 2 R N 1.480 121.956 120.500 -0.041 0.000 2.834 2 R HA 0.310 5.069 4.340 0.698 0.000 0.129 2 R C -0.347 175.926 176.300 -0.045 0.000 0.870 2 R CA 0.041 56.121 56.100 -0.033 0.000 1.989 2 R CB 0.655 30.943 30.300 -0.020 0.000 1.647 2 R HN 0.271 nan 8.270 nan 0.000 0.512 3 R N 1.629 122.092 120.500 -0.063 0.000 1.385 3 R HA -0.070 4.689 4.340 0.698 0.000 0.414 3 R C -1.512 174.749 176.300 -0.066 0.000 1.295 3 R CA 0.783 56.833 56.100 -0.083 0.000 0.975 3 R CB -1.556 28.697 30.300 -0.079 0.000 3.046 3 R HN 0.514 nan 8.270 nan 0.000 0.499 4 A N 5.977 128.754 122.820 -0.073 0.000 2.322 4 A HA 0.719 5.457 4.320 0.698 0.000 0.269 4 A C -2.052 175.506 177.584 -0.043 0.000 1.094 4 A CA -1.123 50.892 52.037 -0.037 0.000 0.807 4 A CB 0.296 19.285 19.000 -0.018 0.000 1.047 4 A HN 0.646 nan 8.150 nan 0.000 0.487 5 P HA 0.420 nan 4.420 nan 0.000 0.271 5 P C -0.652 176.582 177.300 -0.109 0.000 1.216 5 P CA 0.223 63.246 63.100 -0.128 0.000 0.771 5 P CB 1.065 32.763 31.700 -0.003 0.000 0.864 6 A N 2.837 125.476 122.820 -0.302 0.000 2.401 6 A HA 0.856 5.595 4.320 0.698 0.000 0.310 6 A C -1.413 175.978 177.584 -0.322 0.000 1.075 6 A CA -0.444 51.580 52.037 -0.023 0.000 0.746 6 A CB 0.900 20.055 19.000 0.259 0.000 1.277 6 A HN 0.358 nan 8.150 nan 0.000 0.425 7 F N 0.545 120.585 119.950 0.150 0.000 2.581 7 F HA 0.572 5.517 4.527 0.698 0.000 0.311 7 F C -2.625 173.262 175.800 0.146 0.000 1.113 7 F CA -2.210 55.867 58.000 0.128 0.000 0.935 7 F CB 2.226 41.303 39.000 0.128 0.000 1.232 7 F HN 0.266 nan 8.300 nan 0.000 0.445 8 P HA 0.137 nan 4.420 nan 0.000 0.277 8 P C 0.810 178.283 177.300 0.289 0.000 1.240 8 P CA -0.476 62.761 63.100 0.229 0.000 0.798 8 P CB 0.982 32.770 31.700 0.146 0.000 0.979 9 L N 2.542 123.953 121.223 0.314 0.000 2.089 9 L HA -0.267 4.492 4.340 0.698 0.000 0.213 9 L C 1.870 178.890 176.870 0.251 0.000 1.079 9 L CA 2.258 57.314 54.840 0.360 0.000 0.758 9 L CB -1.753 40.520 42.059 0.357 0.000 0.891 9 L HN 0.333 nan 8.230 nan 0.000 0.433 10 S N -1.242 114.571 115.700 0.189 0.000 2.365 10 S HA -0.220 4.668 4.470 0.698 0.000 0.225 10 S C 1.004 175.693 174.600 0.148 0.000 1.039 10 S CA 0.940 59.225 58.200 0.142 0.000 1.033 10 S CB -0.877 62.391 63.200 0.113 0.000 0.887 10 S HN 0.659 nan 8.310 nan 0.000 0.447 11 D N 1.117 121.625 120.400 0.180 0.000 2.571 11 D HA -0.045 5.013 4.640 0.698 0.000 0.231 11 D C 1.195 177.569 176.300 0.123 0.000 1.133 11 D CA -0.029 54.077 54.000 0.177 0.000 0.862 11 D CB 0.498 41.467 40.800 0.283 0.000 1.179 11 D HN 0.110 nan 8.370 nan 0.000 0.474 12 I N 4.945 125.567 120.570 0.086 0.000 2.236 12 I HA -0.295 4.294 4.170 0.698 0.000 0.249 12 I C 2.050 178.170 176.117 0.005 0.000 1.102 12 I CA 1.614 62.947 61.300 0.054 0.000 1.365 12 I CB -0.064 37.963 38.000 0.044 0.000 1.051 12 I HN 0.394 nan 8.210 nan 0.000 0.420 13 K N 0.482 120.831 120.400 -0.084 0.000 2.103 13 K HA -0.151 4.588 4.320 0.698 0.000 0.207 13 K C 2.102 178.613 176.600 -0.147 0.000 1.048 13 K CA 1.536 57.681 56.287 -0.236 0.000 0.930 13 K CB -0.377 31.722 32.500 -0.668 0.000 0.716 13 K HN 0.547 nan 8.250 nan 0.000 0.444 14 A N 1.112 123.930 122.820 -0.002 0.000 1.898 14 A HA -0.119 4.619 4.320 0.698 0.000 0.214 14 A C 2.103 179.799 177.584 0.186 0.000 1.183 14 A CA 0.774 52.903 52.037 0.154 0.000 0.622 14 A CB -0.203 19.008 19.000 0.352 0.000 0.824 14 A HN 0.142 nan 8.150 nan 0.000 0.444 15 Q N -0.441 119.469 119.800 0.184 0.000 2.077 15 Q HA -0.175 4.583 4.340 0.698 0.000 0.206 15 Q C 2.054 178.148 176.000 0.156 0.000 0.989 15 Q CA 1.442 57.370 55.803 0.208 0.000 0.853 15 Q CB -0.535 28.286 28.738 0.138 0.000 0.907 15 Q HN 0.584 nan 8.270 nan 0.000 0.418 16 M N 0.096 119.742 119.600 0.076 0.000 2.426 16 M HA -0.134 4.764 4.480 0.698 0.000 0.261 16 M C 2.013 178.352 176.300 0.065 0.000 1.068 16 M CA 0.986 56.337 55.300 0.084 0.000 1.066 16 M CB -0.779 31.874 32.600 0.087 0.000 1.399 16 M HN 0.175 nan 8.290 nan 0.000 0.449 17 L N -1.591 119.534 121.223 -0.162 0.000 2.313 17 L HA -0.007 4.752 4.340 0.698 0.000 0.214 17 L C -0.074 176.413 176.870 -0.639 0.000 1.119 17 L CA 0.285 54.822 54.840 -0.506 0.000 0.809 17 L CB -0.120 41.345 42.059 -0.990 0.000 0.933 17 L HN 0.044 nan 8.230 nan 0.000 0.449 18 F N -0.253 119.721 119.950 0.040 0.000 2.493 18 F HA 0.590 5.536 4.527 0.698 0.000 0.329 18 F C 0.619 176.442 175.800 0.039 0.000 1.126 18 F CA -1.188 56.842 58.000 0.051 0.000 0.937 18 F CB 0.718 39.683 39.000 -0.059 0.000 1.146 18 F HN -0.244 nan 8.300 nan 0.000 0.442 19 A N 1.652 124.603 122.820 0.218 0.000 2.429 19 A HA 0.105 4.844 4.320 0.698 0.000 0.242 19 A C 0.594 178.277 177.584 0.165 0.000 1.088 19 A CA -0.378 51.765 52.037 0.177 0.000 0.784 19 A CB 0.069 19.243 19.000 0.289 0.000 1.038 19 A HN 0.792 nan 8.150 nan 0.000 0.501 20 N N 0.640 119.418 118.700 0.130 0.000 3.243 20 N HA 0.117 5.276 4.740 0.698 0.000 0.310 20 N C -0.585 174.968 175.510 0.073 0.000 1.313 20 N CA 0.094 53.196 53.050 0.086 0.000 1.204 20 N CB -0.935 37.590 38.487 0.064 0.000 1.483 20 N HN 0.744 nan 8.380 nan 0.000 0.553 21 N N -1.091 117.656 118.700 0.079 0.000 2.774 21 N HA 0.310 5.469 4.740 0.698 0.000 0.264 21 N C 0.396 175.921 175.510 0.026 0.000 1.415 21 N CA -0.802 52.280 53.050 0.053 0.000 0.815 21 N CB 0.572 39.102 38.487 0.071 0.000 1.514 21 N HN -0.275 nan 8.380 nan 0.000 0.523 22 I N 0.444 121.017 120.570 0.007 0.000 2.133 22 I HA -0.138 4.451 4.170 0.698 0.000 0.238 22 I C 1.964 178.053 176.117 -0.047 0.000 1.074 22 I CA 1.337 62.624 61.300 -0.021 0.000 1.342 22 I CB -1.155 36.833 38.000 -0.020 0.000 1.053 22 I HN 0.634 nan 8.210 nan 0.000 0.404 23 K N 1.002 121.387 120.400 -0.025 0.000 2.052 23 K HA -0.262 4.477 4.320 0.698 0.000 0.215 23 K C 2.133 178.630 176.600 -0.172 0.000 1.053 23 K CA 2.051 58.307 56.287 -0.052 0.000 0.934 23 K CB -0.605 31.915 32.500 0.033 0.000 0.717 23 K HN 0.355 nan 8.250 nan 0.000 0.450 24 A N 1.922 124.700 122.820 -0.071 0.000 1.849 24 A HA -0.260 4.479 4.320 0.698 0.000 0.217 24 A C 2.252 179.629 177.584 -0.346 0.000 1.202 24 A CA 1.801 53.740 52.037 -0.162 0.000 0.629 24 A CB -0.649 18.475 19.000 0.206 0.000 0.834 24 A HN 0.295 nan 8.150 nan 0.000 0.447 25 Q N -0.502 119.190 119.800 -0.181 0.000 2.062 25 Q HA -0.288 4.471 4.340 0.698 0.000 0.209 25 Q C 2.197 178.012 176.000 -0.308 0.000 0.996 25 Q CA 2.276 57.943 55.803 -0.228 0.000 0.859 25 Q CB -0.671 28.003 28.738 -0.107 0.000 0.920 25 Q HN 0.844 nan 8.270 nan 0.000 0.415 26 Q N -0.495 119.163 119.800 -0.237 0.000 2.135 26 Q HA -0.116 4.643 4.340 0.698 0.000 0.204 26 Q C 1.987 177.833 176.000 -0.255 0.000 0.981 26 Q CA 1.408 57.096 55.803 -0.193 0.000 0.856 26 Q CB -0.158 28.500 28.738 -0.133 0.000 0.902 26 Q HN 0.428 nan 8.270 nan 0.000 0.425 27 A N 0.644 123.199 122.820 -0.443 0.000 1.898 27 A HA -0.201 4.537 4.320 0.698 0.000 0.216 27 A C 2.205 179.540 177.584 -0.414 0.000 1.181 27 A CA 1.705 53.442 52.037 -0.500 0.000 0.620 27 A CB -0.711 17.575 19.000 -1.191 0.000 0.819 27 A HN 0.458 nan 8.150 nan 0.000 0.442 28 S N 0.167 115.344 115.700 -0.872 0.000 2.368 28 S HA -0.187 4.702 4.470 0.698 0.000 0.225 28 S C 1.777 176.167 174.600 -0.350 0.000 1.030 28 S CA 1.662 59.142 58.200 -1.200 0.000 0.999 28 S CB -0.348 61.586 63.200 -2.109 0.000 0.844 28 S HN 0.609 nan 8.310 nan 0.000 0.459 29 K N 0.584 120.866 120.400 -0.198 0.000 2.314 29 K HA 0.194 4.933 4.320 0.698 0.000 0.198 29 K C 1.003 177.732 176.600 0.215 0.000 1.045 29 K CA -0.199 56.141 56.287 0.088 0.000 0.988 29 K CB -0.068 32.440 32.500 0.014 0.000 0.783 29 K HN 0.309 nan 8.250 nan 0.000 0.484 30 R N 2.366 122.907 120.500 0.068 0.000 2.505 30 R HA -0.092 4.667 4.340 0.698 0.000 0.274 30 R C -0.278 176.156 176.300 0.224 0.000 0.955 30 R CA 0.416 56.577 56.100 0.100 0.000 1.109 30 R CB 0.264 30.599 30.300 0.057 0.000 0.890 30 R HN 0.161 nan 8.270 nan 0.000 0.415 31 S N 3.832 119.649 115.700 0.196 0.000 2.747 31 S HA 0.354 5.243 4.470 0.698 0.000 0.300 31 S C -0.210 174.510 174.600 0.199 0.000 1.121 31 S CA -1.005 57.347 58.200 0.253 0.000 0.995 31 S CB 0.783 64.086 63.200 0.172 0.000 1.113 31 S HN 0.500 nan 8.310 nan 0.000 0.547 32 F N 1.476 121.492 119.950 0.110 0.000 2.628 32 F HA 0.377 5.322 4.527 0.698 0.000 0.362 32 F C 0.302 176.135 175.800 0.054 0.000 1.148 32 F CA 0.828 58.868 58.000 0.067 0.000 1.352 32 F CB 0.122 39.155 39.000 0.056 0.000 1.081 32 F HN 0.661 nan 8.300 nan 0.000 0.605 33 K N 4.287 124.173 120.400 -0.857 0.000 2.557 33 K HA 0.305 5.044 4.320 0.698 0.000 0.261 33 K C -1.494 174.678 176.600 -0.712 0.000 0.932 33 K CA -0.901 55.072 56.287 -0.524 0.000 0.829 33 K CB 2.283 34.637 32.500 -0.244 0.000 1.358 33 K HN 0.738 nan 8.250 nan 0.000 0.430 34 E N 0.772 120.715 120.200 -0.430 0.000 2.458 34 E HA 0.838 5.607 4.350 0.698 0.000 0.278 34 E C -0.709 175.562 176.600 -0.549 0.000 1.004 34 E CA -1.407 54.724 56.400 -0.448 0.000 0.823 34 E CB 2.345 31.929 29.700 -0.193 0.000 1.396 34 E HN 0.632 nan 8.360 nan 0.000 0.463 35 G N -0.533 107.644 108.800 -1.038 0.000 2.337 35 G HA2 0.437 4.816 3.960 0.698 0.000 0.310 35 G HA3 0.437 4.816 3.960 0.698 0.000 0.310 35 G C -0.701 173.652 174.900 -0.910 0.000 1.534 35 G CA -0.469 44.025 45.100 -1.010 0.000 0.982 35 G HN 0.814 nan 8.290 nan 0.000 0.672 36 A N -0.102 122.459 122.820 -0.432 0.000 2.577 36 A HA 0.516 5.255 4.320 0.698 0.000 0.233 36 A C 0.900 178.412 177.584 -0.120 0.000 1.076 36 A CA 1.079 53.067 52.037 -0.080 0.000 0.767 36 A CB -0.182 18.879 19.000 0.102 0.000 1.017 36 A HN 2.103 nan 8.150 nan 0.000 0.511 37 I N -2.433 118.118 120.570 -0.031 0.000 2.910 37 I HA 0.634 5.223 4.170 0.698 0.000 0.310 37 I C -0.044 176.071 176.117 -0.003 0.000 1.043 37 I CA -0.804 60.473 61.300 -0.037 0.000 1.053 37 I CB 2.057 40.039 38.000 -0.030 0.000 1.242 37 I HN 0.660 nan 8.210 nan 0.000 0.452 38 E N 2.067 122.256 120.200 -0.019 0.000 1.924 38 E HA 0.190 4.959 4.350 0.698 0.000 0.261 38 E C 0.294 176.864 176.600 -0.051 0.000 1.088 38 E CA -0.181 56.209 56.400 -0.017 0.000 0.909 38 E CB 0.561 30.252 29.700 -0.014 0.000 1.112 38 E HN 0.800 nan 8.360 nan 0.000 0.425 39 T N 3.091 117.609 114.554 -0.060 0.000 2.653 39 T HA -0.199 4.570 4.350 0.698 0.000 0.268 39 T C -0.111 174.337 174.700 -0.420 0.000 1.035 39 T CA 1.628 63.632 62.100 -0.160 0.000 1.154 39 T CB -0.110 68.706 68.868 -0.087 0.000 0.862 39 T HN 0.352 nan 8.240 nan 0.000 0.441 40 Y N -0.312 120.004 120.300 0.026 0.000 2.581 40 Y HA 0.408 5.377 4.550 0.698 0.000 0.345 40 Y C -0.063 175.857 175.900 0.033 0.000 1.036 40 Y CA -1.904 56.227 58.100 0.052 0.000 1.042 40 Y CB 1.259 39.807 38.460 0.147 0.000 1.289 40 Y HN -0.043 nan 8.280 nan 0.000 0.471 41 E N 0.844 121.150 120.200 0.177 0.000 2.585 41 E HA 0.267 5.036 4.350 0.698 0.000 0.252 41 E C 0.932 177.595 176.600 0.105 0.000 0.981 41 E CA 1.533 57.986 56.400 0.089 0.000 0.943 41 E CB -0.125 29.600 29.700 0.042 0.000 0.923 41 E HN 0.879 nan 8.360 nan 0.000 0.486 42 G N 3.678 112.520 108.800 0.070 0.000 2.199 42 G HA2 -0.247 4.132 3.960 0.698 0.000 0.254 42 G HA3 -0.247 4.132 3.960 0.698 0.000 0.254 42 G C -0.160 174.783 174.900 0.072 0.000 0.982 42 G CA 0.177 45.318 45.100 0.068 0.000 0.632 42 G HN 0.514 nan 8.290 nan 0.000 0.529 43 L N 0.999 122.268 121.223 0.078 0.000 2.362 43 L HA 0.751 5.510 4.340 0.698 0.000 0.275 43 L C -0.815 176.052 176.870 -0.004 0.000 0.998 43 L CA -0.912 53.949 54.840 0.034 0.000 0.820 43 L CB 1.364 43.433 42.059 0.017 0.000 1.270 43 L HN -0.019 nan 8.230 nan 0.000 0.415 44 L N 3.230 124.461 121.223 0.014 0.000 2.307 44 L HA 0.304 5.063 4.340 0.698 0.000 0.282 44 L C 1.611 178.546 176.870 0.108 0.000 1.051 44 L CA 0.194 55.063 54.840 0.047 0.000 0.804 44 L CB 1.714 43.813 42.059 0.067 0.000 1.197 44 L HN 0.779 nan 8.230 nan 0.000 0.431 45 S N 1.434 117.236 115.700 0.171 0.000 2.488 45 S HA -0.113 4.776 4.470 0.698 0.000 0.246 45 S C 0.993 175.844 174.600 0.419 0.000 0.992 45 S CA 1.120 59.547 58.200 0.379 0.000 0.963 45 S CB -0.382 63.010 63.200 0.320 0.000 0.754 45 S HN 0.473 nan 8.310 nan 0.000 0.519 46 V N 0.112 120.190 119.914 0.273 0.000 3.528 46 V HA 0.214 4.753 4.120 0.698 0.000 0.294 46 V C 0.660 176.823 176.094 0.116 0.000 1.404 46 V CA -0.341 62.063 62.300 0.174 0.000 1.065 46 V CB -0.623 31.291 31.823 0.152 0.000 0.904 46 V HN 0.403 nan 8.190 nan 0.000 0.435 47 D N 2.163 122.661 120.400 0.163 0.000 2.533 47 D HA 0.011 5.070 4.640 0.698 0.000 0.236 47 D C -1.489 174.844 176.300 0.056 0.000 1.137 47 D CA -0.960 53.100 54.000 0.100 0.000 0.867 47 D CB 2.139 43.015 40.800 0.126 0.000 1.170 47 D HN 0.066 nan 8.370 nan 0.000 0.474 48 P HA -0.155 nan 4.420 nan 0.000 0.214 48 P C 1.276 178.470 177.300 -0.178 0.000 1.163 48 P CA 1.471 64.496 63.100 -0.125 0.000 0.889 48 P CB 0.176 31.798 31.700 -0.131 0.000 0.790 49 R N -1.886 118.452 120.500 -0.270 0.000 2.113 49 R HA -0.205 4.554 4.340 0.698 0.000 0.244 49 R C 2.240 178.268 176.300 -0.452 0.000 1.142 49 R CA 1.667 57.415 56.100 -0.588 0.000 0.953 49 R CB -1.286 28.385 30.300 -1.048 0.000 0.860 49 R HN 0.175 nan 8.270 nan 0.000 0.438 50 F N 0.877 120.685 119.950 -0.237 0.000 2.113 50 F HA -0.073 4.872 4.527 0.698 0.000 0.297 50 F C 1.827 177.687 175.800 0.101 0.000 1.103 50 F CA 1.302 59.371 58.000 0.115 0.000 1.248 50 F CB -0.312 38.842 39.000 0.257 0.000 0.999 50 F HN -0.083 nan 8.300 nan 0.000 0.475 51 L N -0.885 120.299 121.223 -0.065 0.000 2.046 51 L HA -0.246 4.512 4.340 0.698 0.000 0.208 51 L C 2.727 179.455 176.870 -0.237 0.000 1.077 51 L CA 1.647 56.306 54.840 -0.302 0.000 0.747 51 L CB -1.177 40.577 42.059 -0.510 0.000 0.896 51 L HN 0.246 nan 8.230 nan 0.000 0.432 52 S N 0.228 115.815 115.700 -0.188 0.000 2.353 52 S HA -0.265 4.624 4.470 0.698 0.000 0.222 52 S C 2.026 176.579 174.600 -0.079 0.000 1.035 52 S CA 1.617 59.736 58.200 -0.135 0.000 1.025 52 S CB -0.432 62.667 63.200 -0.169 0.000 0.902 52 S HN 0.420 nan 8.310 nan 0.000 0.440 53 F N 2.021 121.831 119.950 -0.233 0.000 2.095 53 F HA -0.041 4.905 4.527 0.698 0.000 0.298 53 F C 2.196 177.879 175.800 -0.196 0.000 1.104 53 F CA 2.100 59.982 58.000 -0.196 0.000 1.232 53 F CB -0.666 38.245 39.000 -0.148 0.000 0.987 53 F HN 0.161 nan 8.300 nan 0.000 0.475 54 K N 0.129 120.237 120.400 -0.487 0.000 2.063 54 K HA -0.274 4.465 4.320 0.698 0.000 0.208 54 K C 2.018 178.471 176.600 -0.245 0.000 1.048 54 K CA 1.734 57.708 56.287 -0.522 0.000 0.928 54 K CB -0.476 31.869 32.500 -0.258 0.000 0.713 54 K HN 0.420 nan 8.250 nan 0.000 0.442 55 N N 0.905 119.601 118.700 -0.007 0.000 2.043 55 N HA -0.236 4.922 4.740 0.698 0.000 0.193 55 N C 1.773 177.269 175.510 -0.025 0.000 1.037 55 N CA 1.834 54.915 53.050 0.052 0.000 0.851 55 N CB -0.004 38.571 38.487 0.147 0.000 1.027 55 N HN 0.208 nan 8.380 nan 0.000 0.422 56 E N -0.508 119.650 120.200 -0.070 0.000 2.017 56 E HA -0.213 4.556 4.350 0.698 0.000 0.193 56 E C 1.978 178.527 176.600 -0.086 0.000 0.997 56 E CA 1.205 57.576 56.400 -0.047 0.000 0.804 56 E CB -0.296 29.372 29.700 -0.053 0.000 0.757 56 E HN 0.363 nan 8.360 nan 0.000 0.448 57 L N 1.291 122.343 121.223 -0.286 0.000 2.013 57 L HA -0.241 4.518 4.340 0.698 0.000 0.212 57 L C 2.553 179.318 176.870 -0.174 0.000 1.073 57 L CA 2.711 57.359 54.840 -0.319 0.000 0.753 57 L CB -1.020 40.585 42.059 -0.757 0.000 0.890 57 L HN 0.287 nan 8.230 nan 0.000 0.432 58 S N -0.897 114.716 115.700 -0.146 0.000 2.382 58 S HA -0.227 4.662 4.470 0.698 0.000 0.228 58 S C 2.113 176.792 174.600 0.131 0.000 1.027 58 S CA 1.191 59.398 58.200 0.012 0.000 0.991 58 S CB -0.527 62.728 63.200 0.091 0.000 0.823 58 S HN 0.558 nan 8.310 nan 0.000 0.469 59 R N -0.388 120.246 120.500 0.223 0.000 2.061 59 R HA 0.027 4.786 4.340 0.698 0.000 0.230 59 R C 2.348 178.765 176.300 0.194 0.000 1.140 59 R CA 1.519 57.818 56.100 0.332 0.000 0.940 59 R CB -0.892 29.599 30.300 0.318 0.000 0.839 59 R HN 0.516 nan 8.270 nan 0.000 0.429 60 Y N 1.828 122.134 120.300 0.010 0.000 2.102 60 Y HA -0.294 4.675 4.550 0.698 0.000 0.280 60 Y C 1.886 177.754 175.900 -0.054 0.000 1.178 60 Y CA 1.723 59.772 58.100 -0.084 0.000 1.146 60 Y CB -0.278 38.072 38.460 -0.182 0.000 0.968 60 Y HN -0.012 nan 8.280 nan 0.000 0.504 61 L N -1.387 119.776 121.223 -0.101 0.000 2.005 61 L HA -0.229 4.529 4.340 0.698 0.000 0.207 61 L C 2.382 179.311 176.870 0.099 0.000 1.072 61 L CA 1.834 56.517 54.840 -0.261 0.000 0.744 61 L CB -1.160 40.253 42.059 -1.077 0.000 0.895 61 L HN 0.153 nan 8.230 nan 0.000 0.433 62 T N -0.786 113.862 114.554 0.157 0.000 2.685 62 T HA -0.274 4.494 4.350 0.698 0.000 0.268 62 T C 1.443 176.204 174.700 0.101 0.000 1.034 62 T CA 2.059 64.225 62.100 0.109 0.000 1.149 62 T CB -0.297 68.296 68.868 -0.458 0.000 0.860 62 T HN 0.371 nan 8.240 nan 0.000 0.449 63 D N 0.161 120.622 120.400 0.101 0.000 2.075 63 D HA -0.107 4.952 4.640 0.698 0.000 0.196 63 D C 1.902 178.242 176.300 0.067 0.000 0.985 63 D CA 1.185 55.253 54.000 0.113 0.000 0.834 63 D CB -0.187 40.724 40.800 0.185 0.000 0.987 63 D HN 0.402 nan 8.370 nan 0.000 0.452 64 H N -1.790 117.131 119.070 -0.248 0.000 2.524 64 H HA 0.164 5.138 4.556 0.698 0.000 0.282 64 H C -0.119 174.840 175.328 -0.615 0.000 1.016 64 H CA 0.614 56.363 56.048 -0.497 0.000 1.270 64 H CB -0.053 29.198 29.762 -0.852 0.000 1.394 64 H HN 0.153 nan 8.280 nan 0.000 0.568 65 F N -0.115 119.873 119.950 0.063 0.000 2.710 65 F HA 0.331 5.276 4.527 0.697 0.000 0.345 65 F C -2.549 173.331 175.800 0.133 0.000 1.362 65 F CA -2.331 55.738 58.000 0.114 0.000 1.175 65 F CB 1.309 40.421 39.000 0.187 0.000 1.561 65 F HN -0.168 nan 8.300 nan 0.000 0.593 66 P HA 0.168 nan 4.420 nan 0.000 0.272 66 P C -0.006 177.324 177.300 0.049 0.000 1.223 66 P CA -0.169 62.983 63.100 0.086 0.000 0.784 66 P CB 0.823 32.549 31.700 0.043 0.000 0.923 67 A N 2.804 125.623 122.820 -0.003 0.000 2.555 67 A HA 0.002 4.741 4.320 0.698 0.000 0.233 67 A C 0.152 177.688 177.584 -0.079 0.000 1.060 67 A CA 0.330 52.339 52.037 -0.047 0.000 0.759 67 A CB -0.649 18.328 19.000 -0.038 0.000 0.995 67 A HN 0.633 nan 8.150 nan 0.000 0.506 68 N N 0.769 119.336 118.700 -0.221 0.000 2.976 68 N HA 0.411 5.570 4.740 0.698 0.000 0.255 68 N C -1.530 173.668 175.510 -0.520 0.000 1.312 68 N CA -0.298 52.393 53.050 -0.600 0.000 0.897 68 N CB 1.326 39.173 38.487 -1.066 0.000 1.184 68 N HN 0.334 nan 8.380 nan 0.000 0.497 69 V N 1.626 121.529 119.914 -0.019 0.000 2.444 69 V HA 0.163 4.702 4.120 0.698 0.000 0.294 69 V C -0.078 176.178 176.094 0.269 0.000 1.022 69 V CA -0.968 61.403 62.300 0.118 0.000 0.850 69 V CB 1.553 33.333 31.823 -0.072 0.000 0.992 69 V HN 0.508 nan 8.190 nan 0.000 0.426 70 D N 2.671 123.278 120.400 0.344 0.000 2.414 70 D HA 0.013 5.072 4.640 0.698 0.000 0.251 70 D C 1.022 177.394 176.300 0.121 0.000 1.252 70 D CA -0.504 53.615 54.000 0.197 0.000 0.999 70 D CB 0.704 41.557 40.800 0.089 0.000 1.093 70 D HN 0.621 nan 8.370 nan 0.000 0.515 71 E N -1.451 118.750 120.200 0.002 0.000 2.455 71 E HA -0.218 4.551 4.350 0.698 0.000 0.202 71 E C 0.167 176.685 176.600 -0.136 0.000 1.045 71 E CA 0.765 57.111 56.400 -0.090 0.000 0.872 71 E CB -0.061 29.452 29.700 -0.312 0.000 0.792 71 E HN 0.454 nan 8.360 nan 0.000 0.542 72 Y N -0.883 119.438 120.300 0.036 0.000 2.612 72 Y HA 0.305 5.281 4.550 0.710 0.000 0.250 72 Y C 0.927 177.001 175.900 0.290 0.000 1.175 72 Y CA 0.002 58.108 58.100 0.010 0.000 1.205 72 Y CB 1.083 39.486 38.460 -0.095 0.000 1.201 72 Y HN 0.063 nan 8.280 nan 0.000 0.532 73 G N 1.751 110.797 108.800 0.410 0.000 2.314 73 G HA2 -0.310 4.068 3.960 0.698 0.000 0.292 73 G HA3 -0.310 4.068 3.960 0.698 0.000 0.292 73 G C 0.039 175.136 174.900 0.329 0.000 1.059 73 G CA -0.100 45.173 45.100 0.289 0.000 0.982 73 G HN 0.315 nan 8.290 nan 0.000 0.505 74 R N -0.928 119.768 120.500 0.325 0.000 2.534 74 R HA 0.619 5.378 4.340 0.698 0.000 0.301 74 R C -0.009 176.540 176.300 0.416 0.000 0.961 74 R CA -0.678 55.698 56.100 0.460 0.000 0.871 74 R CB 2.632 33.192 30.300 0.433 0.000 1.170 74 R HN 0.482 nan 8.270 nan 0.000 0.446 75 V N 4.492 124.618 119.914 0.353 0.000 2.539 75 V HA 0.647 5.186 4.120 0.698 0.000 0.292 75 V C -1.128 175.143 176.094 0.295 0.000 1.045 75 V CA -0.077 62.351 62.300 0.214 0.000 0.945 75 V CB 0.892 32.756 31.823 0.068 0.000 0.993 75 V HN 0.810 nan 8.190 nan 0.000 0.464 76 Y N 3.569 123.954 120.300 0.142 0.000 2.974 76 Y HA 0.948 5.916 4.550 0.697 0.000 0.310 76 Y C 0.801 176.765 175.900 0.107 0.000 1.526 76 Y CA -0.430 57.749 58.100 0.132 0.000 1.087 76 Y CB 0.384 38.928 38.460 0.140 0.000 1.404 76 Y HN 1.436 nan 8.280 nan 0.000 0.491 77 G N 1.656 110.540 108.800 0.140 0.000 2.611 77 G HA2 -0.454 3.925 3.960 0.698 0.000 0.301 77 G HA3 -0.454 3.925 3.960 0.698 0.000 0.301 77 G C 0.485 175.395 174.900 0.016 0.000 1.233 77 G CA 0.979 46.101 45.100 0.036 0.000 0.993 77 G HN 1.590 nan 8.290 nan 0.000 0.553 78 N N 1.985 120.689 118.700 0.007 0.000 2.519 78 N HA 0.281 5.439 4.740 0.698 0.000 0.186 78 N C 1.978 177.534 175.510 0.077 0.000 1.062 78 N CA 2.123 55.230 53.050 0.095 0.000 0.910 78 N CB -0.499 38.101 38.487 0.189 0.000 0.958 78 N HN 2.449 nan 8.380 nan 0.000 0.445 79 G N -1.525 107.279 108.800 0.007 0.000 2.179 79 G HA2 -0.274 4.105 3.960 0.698 0.000 0.260 79 G HA3 -0.274 4.105 3.960 0.698 0.000 0.260 79 G C -0.245 174.664 174.900 0.016 0.000 0.977 79 G CA 0.321 45.437 45.100 0.026 0.000 0.641 79 G HN 0.364 nan 8.290 nan 0.000 0.533 80 V N 1.906 121.823 119.914 0.006 0.000 2.455 80 V HA 0.376 4.915 4.120 0.698 0.000 0.273 80 V C 1.591 177.627 176.094 -0.096 0.000 1.045 80 V CA 0.644 62.919 62.300 -0.042 0.000 0.976 80 V CB 1.186 33.026 31.823 0.028 0.000 0.993 80 V HN 0.593 nan 8.190 nan 0.000 0.475 81 R N 2.612 123.043 120.500 -0.116 0.000 2.362 81 R HA 0.336 5.095 4.340 0.698 0.000 0.227 81 R C 0.414 176.662 176.300 -0.087 0.000 0.905 81 R CA 0.152 56.207 56.100 -0.075 0.000 1.067 81 R CB 0.730 31.016 30.300 -0.024 0.000 1.078 81 R HN 0.622 nan 8.270 nan 0.000 0.516 82 T N 0.414 114.847 114.554 -0.201 0.000 2.774 82 T HA 0.102 4.871 4.350 0.698 0.000 0.325 82 T C -1.684 172.770 174.700 -0.409 0.000 1.753 82 T CA -0.822 61.159 62.100 -0.199 0.000 1.024 82 T CB 0.815 69.610 68.868 -0.122 0.000 1.628 82 T HN 0.451 nan 8.240 nan 0.000 0.497 83 N N 0.751 119.276 118.700 -0.291 0.000 2.307 83 N HA 0.190 5.349 4.740 0.698 0.000 0.230 83 N C -0.069 175.145 175.510 -0.494 0.000 1.297 83 N CA 0.103 52.911 53.050 -0.402 0.000 0.884 83 N CB -0.116 38.113 38.487 -0.429 0.000 1.115 83 N HN 0.507 nan 8.380 nan 0.000 0.436 84 F N -0.938 118.800 119.950 -0.353 0.000 2.730 84 F HA 0.355 5.301 4.527 0.699 0.000 0.295 84 F C 0.316 176.044 175.800 -0.120 0.000 1.143 84 F CA -0.524 57.365 58.000 -0.185 0.000 1.367 84 F CB -0.338 38.574 39.000 -0.148 0.000 0.970 84 F HN 0.297 nan 8.300 nan 0.000 0.514 85 F N 0.095 120.128 119.950 0.138 0.000 2.802 85 F HA 0.159 5.105 4.527 0.698 0.000 0.300 85 F C 2.198 177.980 175.800 -0.031 0.000 1.168 85 F CA -0.188 57.833 58.000 0.034 0.000 1.433 85 F CB -1.285 37.767 39.000 0.086 0.000 1.115 85 F HN 0.134 nan 8.300 nan 0.000 0.582 86 G N 1.423 110.342 108.800 0.198 0.000 2.491 86 G HA2 -0.332 4.047 3.960 0.698 0.000 0.218 86 G HA3 -0.332 4.047 3.960 0.698 0.000 0.218 86 G C 1.738 176.758 174.900 0.201 0.000 1.180 86 G CA 1.164 46.383 45.100 0.197 0.000 0.774 86 G HN 0.446 nan 8.290 nan 0.000 0.562 87 M N 0.337 120.040 119.600 0.171 0.000 2.426 87 M HA 0.005 4.904 4.480 0.698 0.000 0.261 87 M C 1.466 177.796 176.300 0.050 0.000 1.068 87 M CA 1.263 56.663 55.300 0.166 0.000 1.066 87 M CB -0.521 32.164 32.600 0.142 0.000 1.399 87 M HN 0.037 nan 8.290 nan 0.000 0.449 88 R N 1.350 121.714 120.500 -0.226 0.000 4.218 88 R HA 0.093 4.851 4.340 0.698 0.000 0.208 88 R C -0.901 175.170 176.300 -0.383 0.000 2.100 88 R CA 0.230 55.936 56.100 -0.656 0.000 1.727 88 R CB -1.194 28.427 30.300 -1.131 0.000 1.186 88 R HN 0.592 nan 8.270 nan 0.000 0.645 89 H N -0.164 119.017 119.070 0.184 0.000 2.569 89 H HA 0.287 5.261 4.556 0.698 0.000 0.357 89 H C 0.210 175.734 175.328 0.326 0.000 1.153 89 H CA -0.883 55.325 56.048 0.267 0.000 1.193 89 H CB 1.471 31.360 29.762 0.211 0.000 1.602 89 H HN -0.109 nan 8.280 nan 0.000 0.523 90 M N 2.442 122.313 119.600 0.452 0.000 2.974 90 M HA 0.103 5.002 4.480 0.698 0.000 0.301 90 M C -0.489 176.079 176.300 0.445 0.000 1.409 90 M CA 0.035 55.578 55.300 0.405 0.000 1.515 90 M CB -1.344 31.440 32.600 0.307 0.000 1.163 90 M HN 0.597 nan 8.290 nan 0.000 0.520 91 N N 1.744 120.655 118.700 0.352 0.000 2.386 91 N HA 0.179 5.338 4.740 0.698 0.000 0.273 91 N C 1.160 176.745 175.510 0.126 0.000 1.331 91 N CA 0.634 53.817 53.050 0.222 0.000 0.891 91 N CB 0.234 38.850 38.487 0.215 0.000 1.139 91 N HN 0.914 nan 8.380 nan 0.000 0.487 92 G N 1.718 110.513 108.800 -0.009 0.000 2.624 92 G HA2 -0.186 4.193 3.960 0.698 0.000 0.190 92 G HA3 -0.186 4.193 3.960 0.698 0.000 0.190 92 G C -0.399 174.167 174.900 -0.557 0.000 1.008 92 G CA -0.693 44.221 45.100 -0.311 0.000 0.731 92 G HN 0.418 nan 8.290 nan 0.000 0.478 93 F N 3.725 123.698 119.950 0.038 0.000 2.402 93 F HA 0.565 5.510 4.527 0.698 0.000 0.355 93 F C -1.745 174.109 175.800 0.091 0.000 1.123 93 F CA -2.426 55.622 58.000 0.080 0.000 1.021 93 F CB 2.241 41.320 39.000 0.131 0.000 1.160 93 F HN -0.113 nan 8.300 nan 0.000 0.451 94 P HA 0.248 nan 4.420 nan 0.000 0.278 94 P C -0.594 176.809 177.300 0.172 0.000 1.258 94 P CA -0.694 62.481 63.100 0.126 0.000 0.811 94 P CB 1.291 33.023 31.700 0.053 0.000 1.063 95 M N 0.685 120.341 119.600 0.092 0.000 2.252 95 M HA 0.119 5.018 4.480 0.698 0.000 0.333 95 M C 0.627 176.960 176.300 0.055 0.000 1.111 95 M CA 0.245 55.593 55.300 0.079 0.000 1.140 95 M CB -0.068 32.547 32.600 0.024 0.000 1.538 95 M HN 0.085 nan 8.290 nan 0.000 0.448 96 I N 2.102 122.701 120.570 0.047 0.000 2.400 96 I HA 0.026 4.615 4.170 0.698 0.000 0.248 96 I C -0.497 175.590 176.117 -0.050 0.000 1.109 96 I CA 0.454 61.745 61.300 -0.015 0.000 1.425 96 I CB -2.310 35.673 38.000 -0.029 0.000 1.094 96 I HN 0.621 nan 8.210 nan 0.000 0.425 97 P HA 0.054 nan 4.420 nan 0.000 0.242 97 P C 0.021 177.279 177.300 -0.070 0.000 1.197 97 P CA 0.438 63.539 63.100 0.001 0.000 0.765 97 P CB 0.015 31.774 31.700 0.100 0.000 0.936 98 A N 0.250 122.994 122.820 -0.128 0.000 1.503 98 A HA -0.212 4.527 4.320 0.698 0.000 0.246 98 A C 0.794 178.300 177.584 -0.130 0.000 1.149 98 A CA 0.877 52.799 52.037 -0.192 0.000 0.965 98 A CB -1.912 16.854 19.000 -0.391 0.000 1.056 98 A HN 0.257 nan 8.150 nan 0.000 0.211 99 T N 1.778 116.285 114.554 -0.078 0.000 2.882 99 T HA 0.079 4.848 4.350 0.698 0.000 0.330 99 T C 0.248 174.990 174.700 0.070 0.000 1.075 99 T CA 1.154 63.257 62.100 0.005 0.000 1.129 99 T CB -0.037 68.811 68.868 -0.033 0.000 1.071 99 T HN 0.571 nan 8.240 nan 0.000 0.531 100 W N 4.454 125.764 121.300 0.016 0.000 2.438 100 W HA 0.448 5.527 4.660 0.698 0.000 0.324 100 W C -2.025 174.494 176.519 -0.000 0.000 1.119 100 W CA -2.114 55.264 57.345 0.056 0.000 1.221 100 W CB 0.620 30.137 29.460 0.096 0.000 1.253 100 W HN 0.520 nan 8.180 nan 0.000 0.555 101 P HA 0.132 nan 4.420 nan 0.000 0.275 101 P C -0.936 176.430 177.300 0.110 0.000 1.228 101 P CA -0.318 62.837 63.100 0.093 0.000 0.786 101 P CB 0.554 32.282 31.700 0.047 0.000 0.927 102 L N 1.753 123.005 121.223 0.050 0.000 2.312 102 L HA 0.360 5.119 4.340 0.698 0.000 0.281 102 L C 1.588 178.475 176.870 0.029 0.000 1.070 102 L CA 0.110 54.982 54.840 0.053 0.000 0.805 102 L CB 0.109 42.198 42.059 0.051 0.000 1.174 102 L HN 0.427 nan 8.230 nan 0.000 0.434 103 A N 1.744 124.574 122.820 0.017 0.000 2.019 103 A HA 0.039 4.778 4.320 0.698 0.000 0.219 103 A C 1.060 178.647 177.584 0.005 0.000 1.164 103 A CA 1.420 53.463 52.037 0.010 0.000 0.644 103 A CB -0.095 18.896 19.000 -0.013 0.000 0.805 103 A HN 0.597 nan 8.150 nan 0.000 0.449 104 S N -1.054 114.647 115.700 0.001 0.000 2.533 104 S HA 0.414 5.302 4.470 0.698 0.000 0.271 104 S C -0.471 174.133 174.600 0.006 0.000 1.143 104 S CA -0.233 57.969 58.200 0.004 0.000 0.891 104 S CB 0.956 64.156 63.200 -0.001 0.000 1.105 104 S HN 0.450 nan 8.310 nan 0.000 0.468 105 N N 4.807 123.513 118.700 0.010 0.000 2.234 105 N HA 0.170 5.329 4.740 0.698 0.000 0.227 105 N C 1.019 176.552 175.510 0.038 0.000 1.151 105 N CA -0.197 52.854 53.050 0.001 0.000 0.865 105 N CB -0.382 38.087 38.487 -0.030 0.000 1.066 105 N HN 0.578 nan 8.380 nan 0.000 0.515 106 L N 0.266 121.517 121.223 0.046 0.000 2.027 106 L HA -0.035 4.724 4.340 0.698 0.000 0.206 106 L C 2.593 179.505 176.870 0.070 0.000 1.074 106 L CA 1.280 56.162 54.840 0.071 0.000 0.745 106 L CB -0.420 41.675 42.059 0.060 0.000 0.898 106 L HN 0.195 nan 8.230 nan 0.000 0.433 107 K N 0.923 121.347 120.400 0.040 0.000 2.026 107 K HA -0.253 4.486 4.320 0.698 0.000 0.208 107 K C 2.260 178.900 176.600 0.067 0.000 1.048 107 K CA 1.592 57.900 56.287 0.035 0.000 0.929 107 K CB -0.037 32.459 32.500 -0.008 0.000 0.713 107 K HN 0.094 nan 8.250 nan 0.000 0.439 108 K N 0.654 121.092 120.400 0.063 0.000 2.059 108 K HA -0.231 4.508 4.320 0.698 0.000 0.212 108 K C 2.199 178.923 176.600 0.206 0.000 1.050 108 K CA 1.770 58.107 56.287 0.083 0.000 0.927 108 K CB -0.037 32.434 32.500 -0.049 0.000 0.714 108 K HN 0.141 nan 8.250 nan 0.000 0.447 109 R N -0.211 120.427 120.500 0.230 0.000 2.075 109 R HA -0.107 4.652 4.340 0.698 0.000 0.230 109 R C 2.480 178.907 176.300 0.210 0.000 1.140 109 R CA 1.327 57.620 56.100 0.322 0.000 0.928 109 R CB -0.555 29.907 30.300 0.271 0.000 0.834 109 R HN 0.291 nan 8.270 nan 0.000 0.429 110 A N 1.854 124.762 122.820 0.147 0.000 1.881 110 A HA -0.272 4.467 4.320 0.698 0.000 0.219 110 A C 1.622 179.263 177.584 0.094 0.000 1.215 110 A CA 2.321 54.419 52.037 0.101 0.000 0.648 110 A CB -0.869 18.174 19.000 0.073 0.000 0.832 110 A HN 0.286 nan 8.150 nan 0.000 0.455 111 D N -0.418 120.042 120.400 0.099 0.000 2.315 111 D HA 0.014 5.073 4.640 0.698 0.000 0.211 111 D C 1.430 177.796 176.300 0.110 0.000 0.977 111 D CA 1.284 55.340 54.000 0.092 0.000 0.894 111 D CB -0.200 40.654 40.800 0.091 0.000 0.910 111 D HN 0.484 nan 8.370 nan 0.000 0.490 112 A N -0.076 122.830 122.820 0.144 0.000 2.500 112 A HA 0.083 4.822 4.320 0.698 0.000 0.267 112 A C 0.018 177.641 177.584 0.065 0.000 1.290 112 A CA -0.230 51.882 52.037 0.125 0.000 0.928 112 A CB 0.217 19.332 19.000 0.192 0.000 1.066 112 A HN -0.049 nan 8.150 nan 0.000 0.516 113 D N -0.010 120.428 120.400 0.064 0.000 2.812 113 D HA -0.130 4.929 4.640 0.698 0.000 0.237 113 D C -0.796 175.519 176.300 0.024 0.000 1.162 113 D CA 1.063 55.085 54.000 0.037 0.000 0.740 113 D CB -0.834 39.979 40.800 0.022 0.000 1.000 113 D HN 0.475 nan 8.370 nan 0.000 0.416 114 L N 0.001 121.258 121.223 0.055 0.000 2.401 114 L HA 0.690 5.449 4.340 0.698 0.000 0.266 114 L C 0.824 177.761 176.870 0.111 0.000 0.991 114 L CA -1.004 53.876 54.840 0.067 0.000 0.818 114 L CB 1.806 43.916 42.059 0.086 0.000 1.321 114 L HN 0.110 nan 8.230 nan 0.000 0.413 115 A N 0.842 123.728 122.820 0.110 0.000 2.492 115 A HA 0.166 4.904 4.320 0.698 0.000 0.236 115 A C 0.307 177.975 177.584 0.139 0.000 1.078 115 A CA 0.262 52.349 52.037 0.085 0.000 0.773 115 A CB -0.000 19.037 19.000 0.061 0.000 1.023 115 A HN 0.878 nan 8.150 nan 0.000 0.504 116 D N -0.475 119.873 120.400 -0.087 0.000 2.463 116 D HA 0.449 5.507 4.640 0.698 0.000 0.224 116 D C 0.290 176.033 176.300 -0.929 0.000 1.174 116 D CA 0.535 54.431 54.000 -0.174 0.000 0.829 116 D CB -0.178 40.592 40.800 -0.051 0.000 0.993 116 D HN 1.038 nan 8.370 nan 0.000 0.497 117 G N -0.308 107.629 108.800 -1.438 0.000 2.320 117 G HA2 0.328 4.707 3.960 0.698 0.000 0.297 117 G HA3 0.328 4.707 3.960 0.698 0.000 0.297 117 G C -3.215 171.021 174.900 -1.106 0.000 1.344 117 G CA -1.107 42.844 45.100 -1.916 0.000 0.851 117 G HN -0.103 nan 8.290 nan 0.000 0.567 118 P HA 0.213 nan 4.420 nan 0.000 0.266 118 P C 1.167 178.467 177.300 -0.002 0.000 1.195 118 P CA 0.118 63.179 63.100 -0.065 0.000 0.768 118 P CB 1.400 33.125 31.700 0.041 0.000 0.838 119 V N 1.578 121.588 119.914 0.160 0.000 2.599 119 V HA 0.041 4.579 4.120 0.698 0.000 0.245 119 V C 0.516 176.616 176.094 0.010 0.000 1.046 119 V CA 1.699 64.012 62.300 0.022 0.000 1.065 119 V CB -0.350 31.454 31.823 -0.031 0.000 0.703 119 V HN 0.587 nan 8.190 nan 0.000 0.464 120 S N -0.578 115.151 115.700 0.048 0.000 2.568 120 S HA 0.516 5.405 4.470 0.698 0.000 0.302 120 S C 0.546 175.160 174.600 0.022 0.000 1.082 120 S CA 0.210 58.421 58.200 0.017 0.000 1.009 120 S CB 1.762 64.967 63.200 0.008 0.000 1.069 120 S HN 0.352 nan 8.310 nan 0.000 0.500 121 E N 1.610 121.810 120.200 0.000 0.000 2.160 121 E HA -0.190 4.579 4.350 0.698 0.000 0.195 121 E C 1.948 178.548 176.600 -0.000 0.000 0.991 121 E CA 1.543 57.943 56.400 0.000 0.000 0.810 121 E CB -0.183 29.510 29.700 -0.011 0.000 0.742 121 E HN 0.708 nan 8.360 nan 0.000 0.466 122 R N 0.224 120.716 120.500 -0.014 0.000 2.097 122 R HA -0.191 4.567 4.340 0.698 0.000 0.236 122 R C 1.429 177.705 176.300 -0.040 0.000 1.135 122 R CA 2.144 58.221 56.100 -0.038 0.000 0.934 122 R CB -0.423 29.843 30.300 -0.057 0.000 0.846 122 R HN 0.207 nan 8.270 nan 0.000 0.431 123 D N 0.140 120.532 120.400 -0.014 0.000 2.104 123 D HA -0.191 4.868 4.640 0.698 0.000 0.194 123 D C 1.606 177.925 176.300 0.033 0.000 0.994 123 D CA 1.433 55.402 54.000 -0.051 0.000 0.830 123 D CB -0.725 40.160 40.800 0.140 0.000 0.959 123 D HN 0.308 nan 8.370 nan 0.000 0.452 124 N N 0.035 118.809 118.700 0.123 0.000 2.094 124 N HA -0.143 5.016 4.740 0.698 0.000 0.191 124 N C 1.655 177.232 175.510 0.111 0.000 1.023 124 N CA 0.927 54.072 53.050 0.158 0.000 0.857 124 N CB -0.261 38.269 38.487 0.073 0.000 1.013 124 N HN 0.112 nan 8.380 nan 0.000 0.426 125 L N -0.138 121.107 121.223 0.037 0.000 2.109 125 L HA -0.021 4.738 4.340 0.698 0.000 0.207 125 L C 2.291 179.156 176.870 -0.008 0.000 1.086 125 L CA 0.674 55.523 54.840 0.015 0.000 0.760 125 L CB -0.402 41.651 42.059 -0.009 0.000 0.910 125 L HN 0.198 nan 8.230 nan 0.000 0.437 126 L N -1.533 119.644 121.223 -0.077 0.000 2.017 126 L HA -0.222 4.537 4.340 0.698 0.000 0.208 126 L C 2.523 179.315 176.870 -0.129 0.000 1.073 126 L CA 1.530 56.271 54.840 -0.165 0.000 0.745 126 L CB -0.537 41.346 42.059 -0.293 0.000 0.894 126 L HN 0.148 nan 8.230 nan 0.000 0.432 127 F N 0.037 119.983 119.950 -0.007 0.000 2.069 127 F HA -0.244 4.706 4.527 0.706 0.000 0.298 127 F C 2.794 178.603 175.800 0.015 0.000 1.113 127 F CA 1.170 59.177 58.000 0.011 0.000 1.214 127 F CB -0.244 38.766 39.000 0.015 0.000 0.978 127 F HN -0.091 nan 8.300 nan 0.000 0.474 128 R N 0.074 120.700 120.500 0.209 0.000 2.127 128 R HA -0.151 4.608 4.340 0.698 0.000 0.238 128 R C 2.336 178.679 176.300 0.071 0.000 1.134 128 R CA 1.069 57.234 56.100 0.108 0.000 0.975 128 R CB -0.627 29.717 30.300 0.073 0.000 0.865 128 R HN 0.297 nan 8.270 nan 0.000 0.447 129 A N 1.070 123.910 122.820 0.034 0.000 1.898 129 A HA -0.071 4.668 4.320 0.698 0.000 0.216 129 A C 2.363 179.942 177.584 -0.008 0.000 1.181 129 A CA 1.497 53.525 52.037 -0.015 0.000 0.620 129 A CB -0.673 18.275 19.000 -0.087 0.000 0.819 129 A HN 0.377 nan 8.150 nan 0.000 0.442 130 A N -0.352 122.474 122.820 0.008 0.000 1.883 130 A HA -0.070 4.668 4.320 0.698 0.000 0.217 130 A C 2.228 180.000 177.584 0.314 0.000 1.186 130 A CA 1.970 54.112 52.037 0.176 0.000 0.624 130 A CB -1.120 18.082 19.000 0.336 0.000 0.822 130 A HN 0.438 nan 8.150 nan 0.000 0.444 131 V N 0.209 120.257 119.914 0.223 0.000 2.332 131 V HA -0.288 4.250 4.120 0.698 0.000 0.248 131 V C 2.747 178.971 176.094 0.216 0.000 1.055 131 V CA 2.199 64.603 62.300 0.173 0.000 1.038 131 V CB -0.862 30.947 31.823 -0.023 0.000 0.651 131 V HN 0.470 nan 8.190 nan 0.000 0.450 132 R N -0.242 120.348 120.500 0.150 0.000 2.096 132 R HA -0.104 4.655 4.340 0.698 0.000 0.229 132 R C 2.340 178.775 176.300 0.226 0.000 1.134 132 R CA 1.719 57.910 56.100 0.151 0.000 0.917 132 R CB -1.006 29.352 30.300 0.097 0.000 0.832 132 R HN 0.421 nan 8.270 nan 0.000 0.430 133 L N 0.383 121.744 121.223 0.230 0.000 2.089 133 L HA -0.250 4.509 4.340 0.698 0.000 0.213 133 L C 2.732 179.843 176.870 0.402 0.000 1.079 133 L CA 1.486 56.524 54.840 0.331 0.000 0.758 133 L CB -0.383 41.865 42.059 0.316 0.000 0.891 133 L HN 0.297 nan 8.230 nan 0.000 0.433 134 M N -1.498 118.340 119.600 0.396 0.000 2.156 134 M HA -0.128 4.771 4.480 0.698 0.000 0.264 134 M C 0.930 177.246 176.300 0.027 0.000 1.067 134 M CA 1.658 57.098 55.300 0.234 0.000 1.131 134 M CB 0.069 32.817 32.600 0.246 0.000 1.368 134 M HN 0.074 nan 8.290 nan 0.000 0.416 135 F N -0.392 119.599 119.950 0.068 0.000 2.819 135 F HA 0.230 5.175 4.527 0.696 0.000 0.294 135 F C 1.563 177.442 175.800 0.131 0.000 1.166 135 F CA -0.267 57.764 58.000 0.052 0.000 1.374 135 F CB -0.619 38.307 39.000 -0.123 0.000 0.956 135 F HN -0.023 nan 8.300 nan 0.000 0.509 136 S N -0.062 115.773 115.700 0.225 0.000 2.321 136 S HA -0.075 4.814 4.470 0.698 0.000 0.188 136 S C 0.217 174.880 174.600 0.106 0.000 1.080 136 S CA 0.738 59.044 58.200 0.178 0.000 1.198 136 S CB -0.192 63.111 63.200 0.171 0.000 0.926 136 S HN 0.282 nan 8.310 nan 0.000 0.426 137 D N 1.527 121.969 120.400 0.070 0.000 2.622 137 D HA 0.374 5.432 4.640 0.698 0.000 0.262 137 D C -0.925 175.376 176.300 0.003 0.000 1.189 137 D CA 0.003 54.019 54.000 0.026 0.000 0.985 137 D CB 0.062 40.876 40.800 0.023 0.000 0.994 137 D HN 0.145 nan 8.370 nan 0.000 0.513 138 L N 0.954 122.171 121.223 -0.009 0.000 2.397 138 L HA 0.311 5.069 4.340 0.698 0.000 0.271 138 L C 0.662 177.509 176.870 -0.037 0.000 1.148 138 L CA -0.066 54.755 54.840 -0.032 0.000 0.825 138 L CB 0.782 42.815 42.059 -0.043 0.000 1.117 138 L HN 0.283 nan 8.230 nan 0.000 0.456 139 E N 3.422 123.603 120.200 -0.031 0.000 2.191 139 E HA 0.366 5.134 4.350 0.698 0.000 0.263 139 E C -2.393 174.200 176.600 -0.012 0.000 0.881 139 E CA -2.064 54.322 56.400 -0.023 0.000 0.757 139 E CB 1.738 31.426 29.700 -0.019 0.000 1.147 139 E HN 0.302 nan 8.360 nan 0.000 0.414 140 P HA -0.074 nan 4.420 nan 0.000 0.264 140 P C -1.095 176.220 177.300 0.025 0.000 1.183 140 P CA 0.042 63.154 63.100 0.021 0.000 0.763 140 P CB 0.484 32.198 31.700 0.024 0.000 0.807 141 V N 0.414 120.353 119.914 0.042 0.000 3.188 141 V HA 0.716 5.255 4.120 0.698 0.000 0.305 141 V C -2.918 173.210 176.094 0.057 0.000 1.232 141 V CA -3.032 59.289 62.300 0.036 0.000 1.043 141 V CB 1.670 33.507 31.823 0.024 0.000 1.068 141 V HN 0.213 nan 8.190 nan 0.000 0.439 142 P HA 0.273 nan 4.420 nan 0.000 0.269 142 P C -0.480 176.871 177.300 0.083 0.000 1.215 142 P CA -0.239 62.902 63.100 0.067 0.000 0.780 142 P CB 0.440 32.176 31.700 0.061 0.000 0.898 143 L N 3.143 124.421 121.223 0.091 0.000 2.325 143 L HA 0.204 4.963 4.340 0.698 0.000 0.284 143 L C -0.068 176.880 176.870 0.131 0.000 1.089 143 L CA -0.212 54.690 54.840 0.103 0.000 0.836 143 L CB -0.106 41.995 42.059 0.071 0.000 1.184 143 L HN 0.270 nan 8.230 nan 0.000 0.444 144 K N 6.711 127.198 120.400 0.146 0.000 2.156 144 K HA 0.525 5.264 4.320 0.698 0.000 0.271 144 K C -0.824 175.879 176.600 0.172 0.000 0.995 144 K CA -0.623 55.766 56.287 0.171 0.000 0.890 144 K CB 2.290 34.908 32.500 0.197 0.000 1.073 144 K HN 0.586 nan 8.250 nan 0.000 0.454 145 I N 2.558 123.228 120.570 0.167 0.000 2.404 145 I HA 0.255 4.843 4.170 0.698 0.000 0.293 145 I C 0.170 176.321 176.117 0.057 0.000 0.992 145 I CA -1.104 60.270 61.300 0.124 0.000 1.149 145 I CB 1.642 39.720 38.000 0.130 0.000 1.315 145 I HN 0.447 nan 8.210 nan 0.000 0.446 146 R N 5.899 126.404 120.500 0.007 0.000 2.522 146 R HA 0.099 4.857 4.340 0.698 0.000 0.284 146 R C -0.547 175.727 176.300 -0.044 0.000 1.032 146 R CA 0.223 56.305 56.100 -0.029 0.000 1.049 146 R CB 0.374 30.648 30.300 -0.043 0.000 0.956 146 R HN 0.437 nan 8.270 nan 0.000 0.422 147 K N 3.003 123.385 120.400 -0.030 0.000 2.326 147 K HA 0.233 4.972 4.320 0.698 0.000 0.275 147 K C 0.633 177.200 176.600 -0.055 0.000 1.018 147 K CA 0.704 56.976 56.287 -0.024 0.000 0.962 147 K CB 0.773 33.278 32.500 0.009 0.000 0.953 147 K HN 0.902 nan 8.250 nan 0.000 0.475 148 G N 1.564 110.329 108.800 -0.059 0.000 2.179 148 G HA2 -0.290 4.089 3.960 0.698 0.000 0.257 148 G HA3 -0.290 4.089 3.960 0.698 0.000 0.257 148 G C -0.059 174.791 174.900 -0.082 0.000 1.010 148 G CA 0.593 45.654 45.100 -0.066 0.000 0.736 148 G HN 0.624 nan 8.290 nan 0.000 0.513 149 S N -1.038 114.595 115.700 -0.111 0.000 2.617 149 S HA 0.760 5.649 4.470 0.698 0.000 0.283 149 S C 0.256 174.764 174.600 -0.153 0.000 1.189 149 S CA 0.245 58.371 58.200 -0.123 0.000 1.036 149 S CB 2.144 65.255 63.200 -0.147 0.000 1.014 149 S HN 1.344 nan 8.310 nan 0.000 0.522 150 S N 0.848 116.474 115.700 -0.123 0.000 2.513 150 S HA 0.263 5.152 4.470 0.698 0.000 0.276 150 S C 1.433 175.889 174.600 -0.240 0.000 1.254 150 S CA -0.066 58.056 58.200 -0.130 0.000 1.053 150 S CB 0.479 63.658 63.200 -0.034 0.000 0.958 150 S HN 1.001 nan 8.310 nan 0.000 0.491 151 T N 2.646 117.042 114.554 -0.263 0.000 3.051 151 T HA 0.026 4.795 4.350 0.698 0.000 0.269 151 T C 1.197 175.695 174.700 -0.336 0.000 1.127 151 T CA 0.691 62.621 62.100 -0.283 0.000 1.107 151 T CB -1.521 67.298 68.868 -0.081 0.000 0.898 151 T HN 0.886 nan 8.240 nan 0.000 0.517 152 C N -0.150 118.786 119.300 -0.607 0.000 0.168 152 C HA -0.218 4.660 4.460 0.698 0.000 0.017 152 C C 1.026 175.145 174.990 -1.450 0.000 0.171 152 C CA -1.055 57.202 59.018 -1.267 0.000 0.499 152 C CB -1.710 25.709 27.740 -0.535 0.000 3.212 152 C HN 0.757 nan 8.230 nan 0.000 1.118 153 I N 3.475 123.370 120.570 -1.126 0.000 2.989 153 I HA -0.005 4.584 4.170 0.698 0.000 0.311 153 I C -0.823 175.039 176.117 -0.425 0.000 1.221 153 I CA 0.377 61.324 61.300 -0.588 0.000 1.449 153 I CB 0.357 38.163 38.000 -0.322 0.000 1.325 153 I HN 0.598 nan 8.210 nan 0.000 0.557 154 P HA 0.039 nan 4.420 nan 0.000 0.275 154 P C 0.669 177.835 177.300 -0.223 0.000 1.310 154 P CA 0.519 63.389 63.100 -0.383 0.000 0.904 154 P CB 0.354 31.796 31.700 -0.430 0.000 1.381 155 Y N -0.565 119.720 120.300 -0.025 0.000 2.262 155 Y HA 0.226 5.195 4.550 0.698 0.000 0.295 155 Y C 1.023 177.058 175.900 0.224 0.000 1.121 155 Y CA 0.128 58.278 58.100 0.082 0.000 1.144 155 Y CB -1.053 37.406 38.460 -0.001 0.000 1.043 155 Y HN -0.272 nan 8.280 nan 0.000 0.528 156 F N -0.225 119.777 119.950 0.086 0.000 3.023 156 F HA -0.236 4.710 4.527 0.698 0.000 0.297 156 F C 0.722 176.518 175.800 -0.007 0.000 0.858 156 F CA 0.321 58.310 58.000 -0.018 0.000 1.222 156 F CB -1.745 37.215 39.000 -0.067 0.000 1.263 156 F HN -0.021 nan 8.300 nan 0.000 0.565 157 S N -0.261 115.497 115.700 0.098 0.000 2.632 157 S HA 0.475 5.364 4.470 0.698 0.000 0.267 157 S C 0.964 175.552 174.600 -0.021 0.000 1.276 157 S CA 0.218 58.440 58.200 0.036 0.000 0.998 157 S CB 1.297 64.499 63.200 0.002 0.000 0.953 157 S HN 0.385 nan 8.310 nan 0.000 0.547 158 N N 0.577 119.259 118.700 -0.030 0.000 2.193 158 N HA 0.190 5.349 4.740 0.698 0.000 0.210 158 N C -1.150 174.325 175.510 -0.059 0.000 1.215 158 N CA -0.137 52.883 53.050 -0.049 0.000 0.901 158 N CB 0.348 38.818 38.487 -0.028 0.000 1.060 158 N HN 0.646 nan 8.380 nan 0.000 0.508 159 D N 0.584 120.953 120.400 -0.053 0.000 2.346 159 D HA -0.015 5.043 4.640 0.698 0.000 0.260 159 D C 1.342 177.600 176.300 -0.070 0.000 1.252 159 D CA -0.073 53.895 54.000 -0.054 0.000 0.895 159 D CB 0.636 41.406 40.800 -0.050 0.000 1.097 159 D HN -0.003 nan 8.370 nan 0.000 0.489 160 M N 3.970 123.526 119.600 -0.073 0.000 2.195 160 M HA -0.037 4.862 4.480 0.698 0.000 0.260 160 M C 1.751 177.975 176.300 -0.126 0.000 1.066 160 M CA 2.092 57.330 55.300 -0.103 0.000 1.089 160 M CB -0.663 31.871 32.600 -0.109 0.000 1.377 160 M HN 0.473 nan 8.290 nan 0.000 0.411 161 G N -1.581 107.158 108.800 -0.101 0.000 2.453 161 G HA2 -0.201 4.177 3.960 0.698 0.000 0.215 161 G HA3 -0.201 4.177 3.960 0.698 0.000 0.215 161 G C 1.419 176.277 174.900 -0.072 0.000 1.201 161 G CA 1.349 46.392 45.100 -0.094 0.000 0.784 161 G HN 0.488 nan 8.290 nan 0.000 0.545 162 T N 1.028 115.543 114.554 -0.065 0.000 2.720 162 T HA -0.090 4.679 4.350 0.698 0.000 0.268 162 T C 2.318 177.009 174.700 -0.015 0.000 1.037 162 T CA 1.535 63.600 62.100 -0.059 0.000 1.144 162 T CB -0.153 68.670 68.868 -0.076 0.000 0.864 162 T HN 0.325 nan 8.240 nan 0.000 0.444 163 K N 0.806 121.201 120.400 -0.009 0.000 1.973 163 K HA -0.038 4.701 4.320 0.698 0.000 0.212 163 K C 2.237 178.928 176.600 0.152 0.000 1.047 163 K CA 1.170 57.507 56.287 0.082 0.000 0.937 163 K CB -0.432 32.037 32.500 -0.051 0.000 0.721 163 K HN 0.218 nan 8.250 nan 0.000 0.440 164 I N 1.992 122.587 120.570 0.041 0.000 2.236 164 I HA -0.279 4.310 4.170 0.698 0.000 0.249 164 I C 2.467 178.595 176.117 0.019 0.000 1.102 164 I CA 1.539 62.852 61.300 0.021 0.000 1.365 164 I CB -1.089 36.868 38.000 -0.071 0.000 1.051 164 I HN 0.326 nan 8.210 nan 0.000 0.420 165 E N 1.396 121.599 120.200 0.004 0.000 2.015 165 E HA -0.157 4.612 4.350 0.698 0.000 0.191 165 E C 2.357 178.960 176.600 0.005 0.000 0.991 165 E CA 1.129 57.523 56.400 -0.010 0.000 0.802 165 E CB -0.165 29.516 29.700 -0.032 0.000 0.759 165 E HN 0.470 nan 8.360 nan 0.000 0.447 166 I N 1.142 121.737 120.570 0.043 0.000 2.145 166 I HA -0.347 4.242 4.170 0.698 0.000 0.244 166 I C 2.625 178.721 176.117 -0.035 0.000 1.075 166 I CA 1.388 62.724 61.300 0.060 0.000 1.332 166 I CB -0.626 37.496 38.000 0.204 0.000 1.033 166 I HN 0.068 nan 8.210 nan 0.000 0.410 167 A N 0.754 123.547 122.820 -0.045 0.000 1.851 167 A HA -0.240 4.498 4.320 0.698 0.000 0.216 167 A C 2.251 179.742 177.584 -0.155 0.000 1.195 167 A CA 1.916 53.827 52.037 -0.210 0.000 0.622 167 A CB -0.788 18.155 19.000 -0.094 0.000 0.831 167 A HN 0.466 nan 8.150 nan 0.000 0.444 168 E N -1.006 119.150 120.200 -0.074 0.000 2.097 168 E HA -0.279 4.490 4.350 0.698 0.000 0.196 168 E C 2.279 178.844 176.600 -0.060 0.000 1.000 168 E CA 1.519 57.882 56.400 -0.061 0.000 0.804 168 E CB -0.191 29.495 29.700 -0.023 0.000 0.740 168 E HN 0.502 nan 8.360 nan 0.000 0.454 169 R N 1.308 121.781 120.500 -0.044 0.000 2.073 169 R HA -0.124 4.635 4.340 0.698 0.000 0.234 169 R C 2.069 178.350 176.300 -0.031 0.000 1.134 169 R CA 1.781 57.869 56.100 -0.020 0.000 0.952 169 R CB -0.775 29.523 30.300 -0.004 0.000 0.850 169 R HN 0.137 nan 8.270 nan 0.000 0.433 170 A N 0.996 123.767 122.820 -0.082 0.000 1.859 170 A HA -0.148 4.590 4.320 0.698 0.000 0.217 170 A C 2.278 179.780 177.584 -0.137 0.000 1.198 170 A CA 1.835 53.805 52.037 -0.113 0.000 0.629 170 A CB -0.945 17.926 19.000 -0.215 0.000 0.830 170 A HN 0.380 nan 8.150 nan 0.000 0.446 171 L N -1.000 120.067 121.223 -0.261 0.000 2.261 171 L HA -0.224 4.534 4.340 0.698 0.000 0.216 171 L C 2.506 179.368 176.870 -0.014 0.000 1.114 171 L CA 1.641 56.238 54.840 -0.404 0.000 0.777 171 L CB -0.620 41.119 42.059 -0.534 0.000 0.910 171 L HN 0.579 nan 8.230 nan 0.000 0.440 172 E N 0.061 120.252 120.200 -0.015 0.000 2.030 172 E HA -0.101 4.667 4.350 0.698 0.000 0.189 172 E C 1.719 178.316 176.600 -0.005 0.000 0.974 172 E CA 0.593 57.008 56.400 0.025 0.000 0.807 172 E CB 0.296 30.004 29.700 0.012 0.000 0.771 172 E HN 0.190 nan 8.360 nan 0.000 0.451 173 K N 0.385 120.772 120.400 -0.023 0.000 2.444 173 K HA 0.144 4.882 4.320 0.698 0.000 0.193 173 K C 1.543 178.000 176.600 -0.240 0.000 1.024 173 K CA 0.370 56.583 56.287 -0.123 0.000 1.077 173 K CB 0.617 33.134 32.500 0.028 0.000 0.833 173 K HN 0.082 nan 8.250 nan 0.000 0.517 174 A N 1.870 124.652 122.820 -0.063 0.000 1.903 174 A HA -0.266 4.472 4.320 0.698 0.000 0.219 174 A C 2.198 179.761 177.584 -0.035 0.000 1.191 174 A CA 1.995 54.085 52.037 0.089 0.000 0.638 174 A CB -0.382 18.899 19.000 0.469 0.000 0.823 174 A HN 0.472 nan 8.150 nan 0.000 0.451 175 E N -0.486 119.415 120.200 -0.498 0.000 2.051 175 E HA -0.220 4.548 4.350 0.698 0.000 0.192 175 E C 2.024 178.254 176.600 -0.617 0.000 0.991 175 E CA 1.199 56.831 56.400 -1.279 0.000 0.799 175 E CB -0.205 28.486 29.700 -1.682 0.000 0.748 175 E HN 0.700 nan 8.360 nan 0.000 0.449 176 E N 0.457 120.390 120.200 -0.445 0.000 2.065 176 E HA -0.187 4.582 4.350 0.698 0.000 0.201 176 E C 0.641 177.080 176.600 -0.269 0.000 1.016 176 E CA 0.905 57.113 56.400 -0.320 0.000 0.818 176 E CB -0.197 29.316 29.700 -0.312 0.000 0.749 176 E HN 0.270 nan 8.360 nan 0.000 0.453 177 A N -0.721 121.874 122.820 -0.374 0.000 2.386 177 A HA 0.415 5.154 4.320 0.698 0.000 0.248 177 A C 1.140 178.703 177.584 -0.034 0.000 1.082 177 A CA 0.582 52.497 52.037 -0.202 0.000 0.789 177 A CB 0.571 19.436 19.000 -0.225 0.000 1.025 177 A HN 0.375 nan 8.150 nan 0.000 0.490 178 G N 1.099 109.916 108.800 0.028 0.000 2.956 178 G HA2 -0.295 4.084 3.960 0.698 0.000 0.210 178 G HA3 -0.295 4.084 3.960 0.698 0.000 0.210 178 G C 1.117 176.089 174.900 0.120 0.000 1.316 178 G CA 0.657 45.835 45.100 0.130 0.000 0.819 178 G HN 0.659 nan 8.290 nan 0.000 0.544 179 N N 0.773 119.533 118.700 0.099 0.000 2.309 179 N HA 0.131 5.290 4.740 0.698 0.000 0.182 179 N C 2.305 177.810 175.510 -0.009 0.000 1.018 179 N CA 1.216 54.308 53.050 0.071 0.000 0.876 179 N CB -0.213 38.275 38.487 0.000 0.000 0.972 179 N HN 0.549 nan 8.380 nan 0.000 0.434 180 L N 0.212 121.411 121.223 -0.041 0.000 2.093 180 L HA -0.017 4.742 4.340 0.698 0.000 0.208 180 L C 2.023 178.785 176.870 -0.179 0.000 1.085 180 L CA 0.843 55.637 54.840 -0.076 0.000 0.755 180 L CB -0.090 41.941 42.059 -0.046 0.000 0.904 180 L HN 0.183 nan 8.230 nan 0.000 0.435 181 M N -1.113 118.364 119.600 -0.205 0.000 2.349 181 M HA -0.147 4.751 4.480 0.698 0.000 0.266 181 M C 2.126 178.194 176.300 -0.387 0.000 1.076 181 M CA 1.157 56.150 55.300 -0.511 0.000 1.126 181 M CB -0.121 32.344 32.600 -0.225 0.000 1.392 181 M HN 0.235 nan 8.290 nan 0.000 0.440 182 L N 0.054 121.201 121.223 -0.126 0.000 2.083 182 L HA -0.208 4.551 4.340 0.698 0.000 0.209 182 L C 2.177 178.997 176.870 -0.084 0.000 1.083 182 L CA 1.306 56.120 54.840 -0.043 0.000 0.752 182 L CB -0.573 41.507 42.059 0.035 0.000 0.899 182 L HN 0.388 nan 8.230 nan 0.000 0.433 183 Q N -0.294 119.436 119.800 -0.117 0.000 2.482 183 Q HA 0.011 4.770 4.340 0.698 0.000 0.209 183 Q C 1.517 177.426 176.000 -0.152 0.000 0.961 183 Q CA 0.583 56.327 55.803 -0.099 0.000 0.945 183 Q CB 0.193 28.885 28.738 -0.076 0.000 1.012 183 Q HN 0.631 nan 8.270 nan 0.000 0.515 184 G N 1.573 110.183 108.800 -0.317 0.000 2.184 184 G HA2 -0.322 4.057 3.960 0.698 0.000 0.264 184 G HA3 -0.322 4.057 3.960 0.698 0.000 0.264 184 G C 0.227 174.908 174.900 -0.365 0.000 0.975 184 G CA 0.175 45.053 45.100 -0.370 0.000 0.642 184 G HN 0.288 nan 8.290 nan 0.000 0.536 185 K N 0.504 120.711 120.400 -0.322 0.000 3.006 185 K HA 0.399 5.138 4.320 0.698 0.000 0.265 185 K C 1.137 177.645 176.600 -0.153 0.000 1.279 185 K CA -0.526 55.669 56.287 -0.154 0.000 1.229 185 K CB -0.462 31.986 32.500 -0.088 0.000 1.555 185 K HN 0.391 nan 8.250 nan 0.000 0.300 186 F N 0.709 120.680 119.950 0.035 0.000 2.171 186 F HA -0.249 4.696 4.527 0.698 0.000 0.300 186 F C 1.867 177.696 175.800 0.048 0.000 1.090 186 F CA 1.041 59.060 58.000 0.031 0.000 1.293 186 F CB 0.067 39.070 39.000 0.004 0.000 1.013 186 F HN 0.328 nan 8.300 nan 0.000 0.486 187 D N 0.364 120.886 120.400 0.204 0.000 2.077 187 D HA -0.152 4.906 4.640 0.698 0.000 0.196 187 D C 1.813 178.204 176.300 0.153 0.000 0.986 187 D CA 1.520 55.618 54.000 0.164 0.000 0.829 187 D CB -0.701 40.166 40.800 0.112 0.000 0.983 187 D HN 0.134 nan 8.370 nan 0.000 0.453 188 D N 0.939 121.396 120.400 0.095 0.000 2.154 188 D HA -0.216 4.843 4.640 0.698 0.000 0.190 188 D C 1.951 178.319 176.300 0.112 0.000 1.003 188 D CA 1.807 55.851 54.000 0.074 0.000 0.849 188 D CB -0.567 40.260 40.800 0.044 0.000 0.942 188 D HN 0.186 nan 8.370 nan 0.000 0.446 189 A N 0.030 122.928 122.820 0.129 0.000 1.869 189 A HA -0.293 4.446 4.320 0.698 0.000 0.218 189 A C 2.291 180.014 177.584 0.232 0.000 1.203 189 A CA 2.106 54.250 52.037 0.178 0.000 0.638 189 A CB -1.338 17.746 19.000 0.139 0.000 0.831 189 A HN 0.422 nan 8.150 nan 0.000 0.450 190 Y N 0.866 121.207 120.300 0.068 0.000 2.114 190 Y HA -0.232 4.736 4.550 0.698 0.000 0.284 190 Y C 2.674 178.566 175.900 -0.013 0.000 1.143 190 Y CA 2.232 60.342 58.100 0.015 0.000 1.135 190 Y CB -0.540 37.909 38.460 -0.018 0.000 0.980 190 Y HN 0.485 nan 8.280 nan 0.000 0.499 191 Q N 0.011 119.798 119.800 -0.021 0.000 2.152 191 Q HA -0.205 4.553 4.340 0.698 0.000 0.206 191 Q C 2.160 178.033 176.000 -0.211 0.000 0.985 191 Q CA 2.055 57.753 55.803 -0.174 0.000 0.863 191 Q CB -0.452 28.264 28.738 -0.037 0.000 0.904 191 Q HN 0.542 nan 8.270 nan 0.000 0.422 192 L N -1.030 120.094 121.223 -0.166 0.000 2.446 192 L HA 0.018 4.777 4.340 0.698 0.000 0.219 192 L C 0.523 176.980 176.870 -0.690 0.000 1.116 192 L CA 0.710 55.311 54.840 -0.399 0.000 0.844 192 L CB -0.038 41.756 42.059 -0.443 0.000 0.970 192 L HN 0.286 nan 8.230 nan 0.000 0.457 193 H N -2.060 116.961 119.070 -0.082 0.000 3.233 193 H HA 0.155 5.130 4.556 0.698 0.000 0.252 193 H C -0.315 174.960 175.328 -0.088 0.000 1.175 193 H CA -0.644 55.366 56.048 -0.063 0.000 1.018 193 H CB 0.327 30.070 29.762 -0.030 0.000 2.006 193 H HN -0.037 nan 8.280 nan 0.000 0.714 194 Q N 0.193 119.915 119.800 -0.130 0.000 2.372 194 Q HA -0.226 4.533 4.340 0.698 0.000 0.333 194 Q C -0.653 175.376 176.000 0.048 0.000 1.285 194 Q CA 0.920 56.564 55.803 -0.265 0.000 0.983 194 Q CB -1.685 26.826 28.738 -0.379 0.000 1.229 194 Q HN 0.593 nan 8.270 nan 0.000 0.442 195 M N -0.044 119.650 119.600 0.158 0.000 2.055 195 M HA 0.566 5.464 4.480 0.698 0.000 0.346 195 M C 0.796 177.197 176.300 0.169 0.000 1.074 195 M CA 0.407 55.778 55.300 0.118 0.000 1.009 195 M CB 1.406 34.053 32.600 0.077 0.000 1.423 195 M HN 0.467 nan 8.290 nan 0.000 0.410 196 G N 1.019 109.860 108.800 0.069 0.000 2.247 196 G HA2 0.361 4.740 3.960 0.698 0.000 0.229 196 G HA3 0.361 4.740 3.960 0.698 0.000 0.229 196 G C 0.037 174.731 174.900 -0.343 0.000 1.345 196 G CA -0.204 44.842 45.100 -0.089 0.000 1.100 196 G HN 1.131 nan 8.290 nan 0.000 0.473 197 G N -0.368 108.064 108.800 -0.615 0.000 4.163 197 G HA2 0.403 4.782 3.960 0.698 0.000 0.300 197 G HA3 0.403 4.782 3.960 0.698 0.000 0.300 197 G C 0.921 175.562 174.900 -0.433 0.000 1.488 197 G CA 2.486 47.105 45.100 -0.801 0.000 1.052 197 G HN 3.034 nan 8.290 nan 0.000 0.687 198 A N -2.358 120.248 122.820 -0.355 0.000 2.549 198 A HA 0.646 5.385 4.320 0.698 0.000 0.291 198 A C -1.105 176.358 177.584 -0.201 0.000 1.034 198 A CA -0.122 51.788 52.037 -0.212 0.000 0.655 198 A CB 0.055 19.015 19.000 -0.067 0.000 1.299 198 A HN 1.505 nan 8.150 nan 0.000 0.427 199 Y N -0.418 119.876 120.300 -0.011 0.000 2.316 199 Y HA 0.488 5.457 4.550 0.698 0.000 0.324 199 Y C -0.093 175.882 175.900 0.126 0.000 1.267 199 Y CA 0.743 58.856 58.100 0.022 0.000 1.311 199 Y CB 1.015 39.463 38.460 -0.019 0.000 1.267 199 Y HN 0.640 nan 8.280 nan 0.000 0.516 200 Y N 1.857 122.280 120.300 0.206 0.000 2.356 200 Y HA 0.489 5.457 4.550 0.698 0.000 0.334 200 Y C -0.801 175.178 175.900 0.132 0.000 0.958 200 Y CA -1.222 57.023 58.100 0.241 0.000 1.196 200 Y CB 0.472 39.110 38.460 0.297 0.000 1.137 200 Y HN 0.335 nan 8.280 nan 0.000 0.485 201 V N 7.695 127.410 119.914 -0.332 0.000 2.509 201 V HA 0.106 4.645 4.120 0.698 0.000 0.297 201 V C 0.021 175.789 176.094 -0.543 0.000 1.014 201 V CA 0.201 62.234 62.300 -0.445 0.000 1.127 201 V CB -0.181 31.299 31.823 -0.572 0.000 0.925 201 V HN 0.607 nan 8.190 nan 0.000 0.480 202 V N 3.821 123.508 119.914 -0.379 0.000 2.540 202 V HA 0.553 5.092 4.120 0.698 0.000 0.302 202 V C -0.913 174.973 176.094 -0.346 0.000 1.035 202 V CA -0.915 61.235 62.300 -0.249 0.000 0.873 202 V CB 1.503 33.340 31.823 0.024 0.000 0.992 202 V HN 0.574 nan 8.190 nan 0.000 0.428 203 Y N 4.195 124.475 120.300 -0.034 0.000 2.724 203 Y HA 0.428 5.396 4.550 0.698 0.000 0.332 203 Y C 1.141 176.993 175.900 -0.080 0.000 1.276 203 Y CA -0.496 57.566 58.100 -0.064 0.000 1.597 203 Y CB 0.084 38.498 38.460 -0.077 0.000 1.584 203 Y HN 0.717 nan 8.280 nan 0.000 0.478 204 R N 2.283 122.815 120.500 0.054 0.000 2.404 204 R HA 0.429 5.188 4.340 0.698 0.000 0.315 204 R C -0.431 175.825 176.300 -0.073 0.000 1.032 204 R CA -0.074 56.004 56.100 -0.036 0.000 0.992 204 R CB 0.242 30.549 30.300 0.012 0.000 0.959 204 R HN 0.607 nan 8.270 nan 0.000 0.428 205 A N 4.421 127.137 122.820 -0.175 0.000 2.309 205 A HA 0.159 4.898 4.320 0.698 0.000 0.298 205 A C -0.401 177.094 177.584 -0.148 0.000 1.165 205 A CA -0.525 51.427 52.037 -0.142 0.000 0.821 205 A CB 0.999 19.906 19.000 -0.155 0.000 1.102 205 A HN 0.809 nan 8.150 nan 0.000 0.500 206 Q N 1.686 121.422 119.800 -0.107 0.000 2.465 206 Q HA 0.281 5.040 4.340 0.698 0.000 0.237 206 Q C 1.034 176.963 176.000 -0.119 0.000 1.051 206 Q CA 0.317 56.067 55.803 -0.089 0.000 0.874 206 Q CB 0.685 29.381 28.738 -0.069 0.000 1.207 206 Q HN 0.937 nan 8.270 nan 0.000 0.508 207 S N 1.369 117.018 115.700 -0.086 0.000 2.520 207 S HA -0.102 4.787 4.470 0.698 0.000 0.249 207 S C 0.445 174.984 174.600 -0.101 0.000 0.983 207 S CA 0.885 59.044 58.200 -0.068 0.000 0.958 207 S CB -0.374 62.850 63.200 0.041 0.000 0.750 207 S HN 0.625 nan 8.310 nan 0.000 0.527 208 T N -1.616 112.882 114.554 -0.094 0.000 3.293 208 T HA 0.627 5.396 4.350 0.698 0.000 0.320 208 T C -1.508 173.215 174.700 0.039 0.000 0.995 208 T CA -0.884 61.237 62.100 0.034 0.000 1.041 208 T CB 1.874 70.846 68.868 0.174 0.000 1.058 208 T HN 0.054 nan 8.240 nan 0.000 0.453 209 D N 1.321 121.792 120.400 0.118 0.000 2.585 209 D HA 0.728 5.787 4.640 0.698 0.000 0.254 209 D C 0.025 176.421 176.300 0.159 0.000 1.067 209 D CA -0.570 53.482 54.000 0.087 0.000 1.090 209 D CB 2.044 42.850 40.800 0.009 0.000 1.408 209 D HN 0.917 nan 8.370 nan 0.000 0.554 210 A N 0.645 123.512 122.820 0.079 0.000 2.540 210 A HA 0.430 5.169 4.320 0.698 0.000 0.239 210 A C -0.120 177.486 177.584 0.036 0.000 1.061 210 A CA 0.563 52.640 52.037 0.067 0.000 0.758 210 A CB -0.260 18.760 19.000 0.034 0.000 0.991 210 A HN 0.450 nan 8.150 nan 0.000 0.502 211 I N 1.958 122.574 120.570 0.077 0.000 2.610 211 I HA 0.366 4.955 4.170 0.698 0.000 0.289 211 I C -0.188 176.054 176.117 0.208 0.000 1.163 211 I CA -0.323 60.991 61.300 0.023 0.000 1.044 211 I CB 2.801 40.791 38.000 -0.016 0.000 1.251 211 I HN 0.816 nan 8.210 nan 0.000 0.424 212 T N 3.111 117.747 114.554 0.138 0.000 2.901 212 T HA 0.652 5.421 4.350 0.698 0.000 0.293 212 T C -1.053 173.625 174.700 -0.036 0.000 1.084 212 T CA -0.804 61.403 62.100 0.177 0.000 1.008 212 T CB 2.467 71.405 68.868 0.117 0.000 1.170 212 T HN 0.232 nan 8.240 nan 0.000 0.509 213 L N 2.350 123.510 121.223 -0.104 0.000 2.294 213 L HA 0.433 5.192 4.340 0.698 0.000 0.283 213 L C -0.469 176.283 176.870 -0.197 0.000 1.015 213 L CA -0.571 53.999 54.840 -0.449 0.000 0.831 213 L CB 0.791 42.494 42.059 -0.594 0.000 1.217 213 L HN 0.800 nan 8.230 nan 0.000 0.420 214 D N 7.066 127.348 120.400 -0.197 0.000 2.359 214 D HA 0.138 5.197 4.640 0.698 0.000 0.250 214 D C -1.752 174.482 176.300 -0.111 0.000 1.264 214 D CA -1.621 52.317 54.000 -0.103 0.000 0.911 214 D CB 1.614 42.368 40.800 -0.077 0.000 1.056 214 D HN 0.367 nan 8.370 nan 0.000 0.499 215 P HA -0.198 nan 4.420 nan 0.000 0.216 215 P C 1.239 178.510 177.300 -0.049 0.000 1.150 215 P CA 1.251 64.317 63.100 -0.057 0.000 0.843 215 P CB 0.305 31.992 31.700 -0.023 0.000 0.787 216 K N 0.090 120.467 120.400 -0.038 0.000 1.987 216 K HA -0.191 4.548 4.320 0.698 0.000 0.216 216 K C 2.056 178.636 176.600 -0.033 0.000 1.051 216 K CA 2.909 59.179 56.287 -0.027 0.000 0.942 216 K CB -1.550 30.938 32.500 -0.019 0.000 0.722 216 K HN 0.250 nan 8.250 nan 0.000 0.444 217 T N -4.072 110.456 114.554 -0.042 0.000 2.698 217 T HA 0.129 4.898 4.350 0.698 0.000 0.260 217 T C 1.719 176.386 174.700 -0.055 0.000 1.044 217 T CA 1.637 63.714 62.100 -0.040 0.000 1.149 217 T CB -0.513 68.335 68.868 -0.034 0.000 0.864 217 T HN 0.570 nan 8.240 nan 0.000 0.419 218 G N 0.468 109.209 108.800 -0.099 0.000 2.229 218 G HA2 -0.095 4.283 3.960 0.698 0.000 0.189 218 G HA3 -0.095 4.283 3.960 0.698 0.000 0.189 218 G C 0.063 174.857 174.900 -0.177 0.000 1.000 218 G CA 0.067 45.093 45.100 -0.123 0.000 0.663 218 G HN 0.705 nan 8.290 nan 0.000 0.493 219 K N 0.029 120.345 120.400 -0.141 0.000 2.139 219 K HA 0.794 5.533 4.320 0.698 0.000 0.243 219 K C -0.266 176.228 176.600 -0.176 0.000 0.983 219 K CA -0.945 55.293 56.287 -0.083 0.000 0.890 219 K CB 0.703 33.221 32.500 0.030 0.000 1.090 219 K HN 0.007 nan 8.250 nan 0.000 0.445 220 F N 0.011 119.944 119.950 -0.028 0.000 2.370 220 F HA 0.388 5.334 4.527 0.698 0.000 0.319 220 F C 0.388 176.258 175.800 0.116 0.000 1.129 220 F CA -0.532 57.464 58.000 -0.006 0.000 1.109 220 F CB 1.156 40.153 39.000 -0.005 0.000 1.262 220 F HN -0.055 nan 8.300 nan 0.000 0.534 221 V N 0.767 120.802 119.914 0.203 0.000 2.760 221 V HA 0.363 4.902 4.120 0.698 0.000 0.309 221 V C -1.059 174.848 176.094 -0.312 0.000 1.077 221 V CA -1.008 61.289 62.300 -0.006 0.000 0.910 221 V CB 2.217 34.035 31.823 -0.008 0.000 1.008 221 V HN 0.778 nan 8.190 nan 0.000 0.424 222 S N 3.377 118.739 115.700 -0.564 0.000 2.442 222 S HA 0.451 5.339 4.470 0.698 0.000 0.297 222 S C -0.281 174.168 174.600 -0.253 0.000 1.131 222 S CA -0.780 57.031 58.200 -0.647 0.000 1.092 222 S CB 1.075 63.659 63.200 -1.027 0.000 0.998 222 S HN 0.748 nan 8.310 nan 0.000 0.478 223 K N 2.768 123.076 120.400 -0.153 0.000 2.366 223 K HA -0.076 4.663 4.320 0.698 0.000 0.272 223 K C -0.717 175.847 176.600 -0.060 0.000 1.151 223 K CA 0.005 56.249 56.287 -0.071 0.000 1.173 223 K CB -0.220 32.260 32.500 -0.034 0.000 0.853 223 K HN 0.567 nan 8.250 nan 0.000 0.473 224 D N 3.567 123.941 120.400 -0.044 0.000 2.506 224 D HA -0.018 5.041 4.640 0.698 0.000 0.234 224 D C 0.019 176.298 176.300 -0.035 0.000 1.143 224 D CA 0.706 54.688 54.000 -0.031 0.000 0.871 224 D CB 0.533 41.327 40.800 -0.010 0.000 1.190 224 D HN 0.384 nan 8.370 nan 0.000 0.459 225 R N 2.141 122.612 120.500 -0.049 0.000 2.451 225 R HA 0.264 5.023 4.340 0.698 0.000 0.307 225 R C -0.372 175.860 176.300 -0.113 0.000 0.965 225 R CA -0.843 55.217 56.100 -0.067 0.000 0.865 225 R CB 1.294 31.555 30.300 -0.065 0.000 1.174 225 R HN 0.333 nan 8.270 nan 0.000 0.455 226 M N 3.521 123.051 119.600 -0.117 0.000 2.217 226 M HA 0.218 5.117 4.480 0.698 0.000 0.354 226 M C 0.243 176.392 176.300 -0.253 0.000 1.225 226 M CA -0.478 54.714 55.300 -0.181 0.000 1.137 226 M CB 0.799 33.325 32.600 -0.123 0.000 1.576 226 M HN 0.340 nan 8.290 nan 0.000 0.461 227 V N 0.507 120.171 119.914 -0.417 0.000 2.686 227 V HA 0.952 5.491 4.120 0.698 0.000 0.306 227 V C -0.459 175.371 176.094 -0.440 0.000 1.065 227 V CA -1.200 60.857 62.300 -0.406 0.000 0.894 227 V CB 1.417 32.978 31.823 -0.437 0.000 1.004 227 V HN 0.937 nan 8.190 nan 0.000 0.424 228 A N 3.696 126.344 122.820 -0.286 0.000 2.301 228 A HA 0.709 5.448 4.320 0.698 0.000 0.298 228 A C 0.089 177.719 177.584 0.077 0.000 1.185 228 A CA -0.250 51.618 52.037 -0.282 0.000 0.830 228 A CB 0.271 18.922 19.000 -0.582 0.000 1.112 228 A HN 1.196 nan 8.150 nan 0.000 0.508 229 D N 1.510 122.044 120.400 0.223 0.000 2.371 229 D HA 0.046 5.105 4.640 0.698 0.000 0.242 229 D C 0.836 177.084 176.300 -0.086 0.000 1.218 229 D CA -0.600 53.545 54.000 0.242 0.000 0.945 229 D CB 0.125 41.112 40.800 0.311 0.000 1.137 229 D HN 0.352 nan 8.370 nan 0.000 0.464 230 F N 0.551 120.070 119.950 -0.718 0.000 2.043 230 F HA -0.277 4.669 4.527 0.698 0.000 0.297 230 F C 2.114 177.675 175.800 -0.399 0.000 1.118 230 F CA 2.064 59.453 58.000 -1.017 0.000 1.202 230 F CB -0.163 38.119 39.000 -1.197 0.000 0.965 230 F HN 0.293 nan 8.300 nan 0.000 0.482 231 E N -0.541 119.519 120.200 -0.234 0.000 2.130 231 E HA -0.308 4.461 4.350 0.698 0.000 0.196 231 E C 2.071 178.543 176.600 -0.213 0.000 0.998 231 E CA 1.787 58.048 56.400 -0.231 0.000 0.806 231 E CB -0.947 28.731 29.700 -0.037 0.000 0.738 231 E HN 0.717 nan 8.360 nan 0.000 0.459 232 Y N 0.642 120.818 120.300 -0.207 0.000 2.109 232 Y HA -0.225 4.744 4.550 0.698 0.000 0.285 232 Y C 2.362 178.149 175.900 -0.189 0.000 1.131 232 Y CA 1.862 59.880 58.100 -0.137 0.000 1.121 232 Y CB -0.293 38.143 38.460 -0.039 0.000 0.987 232 Y HN 0.051 nan 8.280 nan 0.000 0.495 233 A N -0.263 122.643 122.820 0.145 0.000 1.986 233 A HA -0.248 4.491 4.320 0.698 0.000 0.220 233 A C 2.089 179.586 177.584 -0.145 0.000 1.171 233 A CA 2.504 54.567 52.037 0.044 0.000 0.640 233 A CB -1.466 17.564 19.000 0.049 0.000 0.811 233 A HN 0.455 nan 8.150 nan 0.000 0.451 234 V N -1.433 118.234 119.914 -0.410 0.000 2.591 234 V HA -0.106 4.433 4.120 0.698 0.000 0.249 234 V C 2.389 178.337 176.094 -0.242 0.000 1.053 234 V CA 1.970 64.028 62.300 -0.403 0.000 1.068 234 V CB -1.760 29.656 31.823 -0.679 0.000 0.689 234 V HN 0.721 nan 8.190 nan 0.000 0.462 235 T N -2.385 112.023 114.554 -0.244 0.000 3.107 235 T HA 0.349 5.118 4.350 0.698 0.000 0.249 235 T C 1.598 176.184 174.700 -0.189 0.000 1.096 235 T CA 0.658 62.638 62.100 -0.200 0.000 1.012 235 T CB 0.146 68.881 68.868 -0.221 0.000 0.977 235 T HN 1.250 nan 8.240 nan 0.000 0.527 236 G N 0.556 109.263 108.800 -0.155 0.000 2.203 236 G HA2 0.073 4.452 3.960 0.698 0.000 0.263 236 G HA3 0.073 4.452 3.960 0.698 0.000 0.263 236 G C 1.017 175.793 174.900 -0.207 0.000 1.012 236 G CA 0.500 45.541 45.100 -0.099 0.000 0.749 236 G HN 1.773 nan 8.290 nan 0.000 0.512 237 G N -1.524 106.909 108.800 -0.611 0.000 2.352 237 G HA2 -0.183 4.196 3.960 0.698 0.000 0.204 237 G HA3 -0.183 4.196 3.960 0.698 0.000 0.204 237 G C 0.844 175.332 174.900 -0.687 0.000 1.004 237 G CA 0.819 45.285 45.100 -1.057 0.000 0.648 237 G HN 0.723 nan 8.290 nan 0.000 0.491 238 E N 0.910 120.873 120.200 -0.395 0.000 2.035 238 E HA -0.092 4.677 4.350 0.698 0.000 0.204 238 E C 2.136 178.594 176.600 -0.237 0.000 1.025 238 E CA 2.189 58.441 56.400 -0.246 0.000 0.835 238 E CB -0.039 29.556 29.700 -0.175 0.000 0.764 238 E HN 0.772 nan 8.360 nan 0.000 0.457 239 Q N -1.744 117.904 119.800 -0.253 0.000 3.182 239 Q HA 0.503 5.262 4.340 0.698 0.000 0.212 239 Q C 0.787 176.687 176.000 -0.167 0.000 1.099 239 Q CA -0.432 55.271 55.803 -0.167 0.000 0.680 239 Q CB -0.363 28.307 28.738 -0.112 0.000 3.554 239 Q HN 0.291 nan 8.270 nan 0.000 0.361 240 G N 1.020 109.787 108.800 -0.054 0.000 2.939 240 G HA2 -0.216 4.163 3.960 0.698 0.000 0.278 240 G HA3 -0.216 4.163 3.960 0.698 0.000 0.278 240 G C -0.274 174.734 174.900 0.180 0.000 1.487 240 G CA 0.100 45.235 45.100 0.058 0.000 0.935 240 G HN 0.854 nan 8.290 nan 0.000 0.553 241 S N -1.197 114.664 115.700 0.270 0.000 2.766 241 S HA 0.815 5.704 4.470 0.698 0.000 0.307 241 S C -0.638 174.212 174.600 0.417 0.000 1.121 241 S CA -0.439 57.954 58.200 0.322 0.000 0.980 241 S CB 2.321 65.618 63.200 0.161 0.000 1.159 241 S HN 1.986 nan 8.310 nan 0.000 0.546 242 L N 1.704 123.121 121.223 0.323 0.000 2.573 242 L HA 0.631 5.390 4.340 0.698 0.000 0.260 242 L C -1.460 175.530 176.870 0.201 0.000 0.997 242 L CA -0.744 54.140 54.840 0.074 0.000 0.890 242 L CB 0.307 42.275 42.059 -0.151 0.000 1.179 242 L HN 0.778 nan 8.230 nan 0.000 0.439 243 F N 2.529 122.459 119.950 -0.033 0.000 2.671 243 F HA 1.008 5.954 4.527 0.698 0.000 0.373 243 F C 0.153 175.945 175.800 -0.012 0.000 1.122 243 F CA -1.140 56.855 58.000 -0.008 0.000 1.082 243 F CB 0.254 39.258 39.000 0.007 0.000 1.399 243 F HN 0.484 nan 8.300 nan 0.000 0.509 244 A N 0.618 123.471 122.820 0.054 0.000 2.309 244 A HA 0.747 5.485 4.320 0.698 0.000 0.298 244 A C 0.021 177.560 177.584 -0.076 0.000 1.165 244 A CA -0.251 51.750 52.037 -0.061 0.000 0.821 244 A CB -0.193 18.824 19.000 0.028 0.000 1.102 244 A HN 1.313 nan 8.150 nan 0.000 0.500 245 A N 1.532 124.261 122.820 -0.151 0.000 2.406 245 A HA 0.481 5.220 4.320 0.698 0.000 0.243 245 A C 0.823 178.425 177.584 0.030 0.000 1.082 245 A CA 0.329 52.314 52.037 -0.086 0.000 0.786 245 A CB 0.119 19.057 19.000 -0.105 0.000 1.029 245 A HN 1.345 nan 8.150 nan 0.000 0.495 246 S N 0.288 116.031 115.700 0.071 0.000 2.955 246 S HA 0.178 5.067 4.470 0.698 0.000 0.294 246 S C 0.746 175.413 174.600 0.111 0.000 1.198 246 S CA -0.486 57.771 58.200 0.095 0.000 1.008 246 S CB -0.603 62.656 63.200 0.099 0.000 1.279 246 S HN 0.581 nan 8.310 nan 0.000 0.508 247 K N 2.178 122.654 120.400 0.127 0.000 2.589 247 K HA -0.045 4.694 4.320 0.698 0.000 0.192 247 K C 0.248 177.023 176.600 0.292 0.000 1.029 247 K CA 0.192 56.599 56.287 0.200 0.000 1.031 247 K CB -0.136 32.475 32.500 0.185 0.000 0.821 247 K HN 0.628 nan 8.250 nan 0.000 0.502 248 D N 0.176 120.709 120.400 0.222 0.000 2.417 248 D HA 0.000 5.059 4.640 0.698 0.000 0.250 248 D C 0.629 176.997 176.300 0.114 0.000 1.166 248 D CA -0.070 54.042 54.000 0.186 0.000 0.881 248 D CB 1.048 41.917 40.800 0.116 0.000 1.164 248 D HN 0.132 nan 8.370 nan 0.000 0.467 249 A N 3.049 125.898 122.820 0.049 0.000 2.275 249 A HA 0.050 4.788 4.320 0.698 0.000 0.212 249 A C 2.108 179.653 177.584 -0.064 0.000 1.201 249 A CA 0.048 52.079 52.037 -0.009 0.000 0.843 249 A CB -0.095 18.881 19.000 -0.040 0.000 0.873 249 A HN 0.552 nan 8.150 nan 0.000 0.492 250 S N 0.898 116.567 115.700 -0.051 0.000 2.370 250 S HA -0.251 4.638 4.470 0.698 0.000 0.226 250 S C 2.218 176.777 174.600 -0.068 0.000 1.033 250 S CA 1.639 59.801 58.200 -0.063 0.000 1.011 250 S CB -0.403 62.773 63.200 -0.041 0.000 0.852 250 S HN 0.862 nan 8.310 nan 0.000 0.457 251 R N 1.783 122.253 120.500 -0.050 0.000 2.159 251 R HA -0.191 4.568 4.340 0.698 0.000 0.252 251 R C 1.989 178.215 176.300 -0.123 0.000 1.144 251 R CA 1.922 57.979 56.100 -0.072 0.000 0.961 251 R CB -1.475 28.802 30.300 -0.037 0.000 0.877 251 R HN 0.348 nan 8.270 nan 0.000 0.444 252 L N 0.807 121.962 121.223 -0.114 0.000 2.171 252 L HA -0.274 4.485 4.340 0.698 0.000 0.216 252 L C 2.776 179.587 176.870 -0.099 0.000 1.084 252 L CA 2.112 56.881 54.840 -0.118 0.000 0.771 252 L CB -0.743 41.151 42.059 -0.275 0.000 0.890 252 L HN 0.302 nan 8.230 nan 0.000 0.437 253 K N 0.833 121.169 120.400 -0.107 0.000 1.973 253 K HA -0.206 4.533 4.320 0.698 0.000 0.210 253 K C 2.023 178.570 176.600 -0.089 0.000 1.045 253 K CA 1.821 58.058 56.287 -0.083 0.000 0.937 253 K CB -0.434 32.019 32.500 -0.078 0.000 0.721 253 K HN 0.254 nan 8.250 nan 0.000 0.438 254 E N 0.081 120.219 120.200 -0.103 0.000 2.097 254 E HA -0.279 4.490 4.350 0.698 0.000 0.196 254 E C 1.990 178.496 176.600 -0.158 0.000 1.000 254 E CA 1.545 57.883 56.400 -0.105 0.000 0.804 254 E CB 0.008 29.652 29.700 -0.093 0.000 0.740 254 E HN 0.494 nan 8.360 nan 0.000 0.454 255 Q N -1.000 118.632 119.800 -0.280 0.000 1.969 255 Q HA -0.140 4.619 4.340 0.698 0.000 0.198 255 Q C 1.180 176.886 176.000 -0.489 0.000 0.978 255 Q CA 1.639 57.124 55.803 -0.530 0.000 0.830 255 Q CB -0.006 28.120 28.738 -1.020 0.000 0.896 255 Q HN 0.427 nan 8.270 nan 0.000 0.431 256 Y N -1.150 119.155 120.300 0.009 0.000 2.584 256 Y HA 0.385 5.353 4.550 0.698 0.000 0.254 256 Y C 0.768 176.666 175.900 -0.004 0.000 1.177 256 Y CA -0.119 57.995 58.100 0.023 0.000 1.216 256 Y CB 0.535 39.035 38.460 0.066 0.000 1.172 256 Y HN 0.176 nan 8.280 nan 0.000 0.529 257 G N 1.873 110.708 108.800 0.058 0.000 2.359 257 G HA2 -0.285 4.093 3.960 0.698 0.000 0.298 257 G HA3 -0.285 4.093 3.960 0.698 0.000 0.298 257 G C -0.395 174.519 174.900 0.023 0.000 1.030 257 G CA 0.154 45.268 45.100 0.024 0.000 1.149 257 G HN 0.422 nan 8.290 nan 0.000 0.512 258 I N 0.273 120.842 120.570 -0.001 0.000 2.436 258 I HA 0.252 4.841 4.170 0.698 0.000 0.289 258 I C -0.638 175.429 176.117 -0.083 0.000 1.010 258 I CA -1.133 60.146 61.300 -0.036 0.000 1.098 258 I CB 1.707 39.675 38.000 -0.053 0.000 1.266 258 I HN -0.055 nan 8.210 nan 0.000 0.434 259 D N 6.455 126.800 120.400 -0.093 0.000 2.358 259 D HA 0.161 5.220 4.640 0.698 0.000 0.258 259 D C -0.266 175.932 176.300 -0.172 0.000 1.223 259 D CA 0.126 54.056 54.000 -0.117 0.000 0.886 259 D CB 1.465 42.199 40.800 -0.111 0.000 1.120 259 D HN 0.047 nan 8.370 nan 0.000 0.482 260 V N 5.057 124.869 119.914 -0.171 0.000 2.328 260 V HA 0.265 4.803 4.120 0.698 0.000 0.278 260 V C -1.889 174.086 176.094 -0.199 0.000 1.021 260 V CA -1.522 60.648 62.300 -0.216 0.000 0.838 260 V CB 1.085 32.806 31.823 -0.169 0.000 0.999 260 V HN 0.356 nan 8.190 nan 0.000 0.447 261 P HA 0.240 nan 4.420 nan 0.000 0.272 261 P C -0.470 176.849 177.300 0.033 0.000 1.223 261 P CA -0.464 62.550 63.100 -0.144 0.000 0.784 261 P CB 0.466 32.005 31.700 -0.269 0.000 0.923 262 D N 0.597 121.011 120.400 0.024 0.000 2.488 262 D HA 0.327 5.386 4.640 0.698 0.000 0.238 262 D C 1.159 177.412 176.300 -0.078 0.000 1.138 262 D CA 1.748 55.747 54.000 -0.002 0.000 0.873 262 D CB -0.119 40.710 40.800 0.048 0.000 1.183 262 D HN 0.664 nan 8.370 nan 0.000 0.458 263 G N 1.301 109.934 108.800 -0.280 0.000 2.212 263 G HA2 -0.257 4.121 3.960 0.698 0.000 0.255 263 G HA3 -0.257 4.121 3.960 0.698 0.000 0.255 263 G C -0.387 173.842 174.900 -1.119 0.000 1.062 263 G CA -0.528 44.163 45.100 -0.682 0.000 0.815 263 G HN 0.344 nan 8.290 nan 0.000 0.497 264 F N -0.790 118.550 119.950 -1.017 0.000 2.540 264 F HA 0.812 5.759 4.527 0.699 0.000 0.317 264 F C 0.141 175.389 175.800 -0.920 0.000 1.104 264 F CA -1.043 56.529 58.000 -0.713 0.000 0.913 264 F CB 1.584 40.350 39.000 -0.391 0.000 1.170 264 F HN 0.017 nan 8.300 nan 0.000 0.450 265 F N 0.452 120.422 119.950 0.034 0.000 2.640 265 F HA 0.594 5.540 4.527 0.699 0.000 0.324 265 F C -0.102 175.864 175.800 0.277 0.000 1.077 265 F CA -1.391 56.688 58.000 0.133 0.000 0.965 265 F CB 0.599 39.667 39.000 0.114 0.000 1.351 265 F HN 0.269 nan 8.300 nan 0.000 0.487 266 C N 1.254 120.816 119.300 0.436 0.000 2.656 266 C HA 0.326 5.204 4.460 0.698 0.000 0.391 266 C C 0.377 175.563 174.990 0.327 0.000 1.300 266 C CA -0.750 58.480 59.018 0.354 0.000 2.302 266 C CB -0.336 27.572 27.740 0.280 0.000 2.655 266 C HN 0.784 nan 8.230 nan 0.000 0.656 267 E N 1.216 121.521 120.200 0.175 0.000 2.312 267 E HA 0.385 5.154 4.350 0.698 0.000 0.259 267 E C -0.234 176.330 176.600 -0.061 0.000 1.122 267 E CA -0.773 55.588 56.400 -0.065 0.000 0.922 267 E CB 0.713 30.350 29.700 -0.105 0.000 1.109 267 E HN 0.639 nan 8.360 nan 0.000 0.442 268 R N 0.915 121.329 120.500 -0.143 0.000 2.441 268 R HA 0.220 4.978 4.340 0.698 0.000 0.284 268 R C -0.588 175.664 176.300 -0.081 0.000 1.070 268 R CA -0.435 55.611 56.100 -0.091 0.000 1.047 268 R CB 0.802 31.044 30.300 -0.097 0.000 1.016 268 R HN 0.535 nan 8.270 nan 0.000 0.477 269 R N 3.258 123.717 120.500 -0.068 0.000 2.371 269 R HA 0.189 4.947 4.340 0.698 0.000 0.312 269 R C -0.594 175.706 176.300 -0.001 0.000 0.980 269 R CA -0.740 55.327 56.100 -0.056 0.000 0.867 269 R CB 0.893 31.120 30.300 -0.122 0.000 1.163 269 R HN 0.739 nan 8.270 nan 0.000 0.492 270 R N 2.147 122.659 120.500 0.020 0.000 2.490 270 R HA 0.263 5.022 4.340 0.698 0.000 0.278 270 R C -0.450 175.921 176.300 0.117 0.000 1.069 270 R CA -0.271 55.850 56.100 0.035 0.000 1.080 270 R CB 1.081 31.377 30.300 -0.005 0.000 1.030 270 R HN 0.570 nan 8.270 nan 0.000 0.491 271 T N -0.240 114.366 114.554 0.087 0.000 2.927 271 T HA 0.774 5.542 4.350 0.698 0.000 0.281 271 T C -0.425 174.218 174.700 -0.094 0.000 0.998 271 T CA -0.455 61.654 62.100 0.014 0.000 1.019 271 T CB 1.715 70.575 68.868 -0.013 0.000 1.061 271 T HN 0.843 nan 8.240 nan 0.000 0.518 272 A N 1.586 124.297 122.820 -0.182 0.000 2.594 272 A HA 0.632 5.371 4.320 0.698 0.000 0.296 272 A C -0.927 176.566 177.584 -0.151 0.000 1.061 272 A CA -0.993 50.959 52.037 -0.143 0.000 0.689 272 A CB 1.324 20.276 19.000 -0.079 0.000 1.280 272 A HN 0.766 nan 8.150 nan 0.000 0.406 273 M N 1.597 121.100 119.600 -0.162 0.000 2.200 273 M HA 0.447 5.345 4.480 0.698 0.000 0.355 273 M C 0.866 177.228 176.300 0.103 0.000 1.283 273 M CA 0.233 55.472 55.300 -0.102 0.000 1.124 273 M CB 1.043 33.346 32.600 -0.495 0.000 1.625 273 M HN 0.858 nan 8.290 nan 0.000 0.463 274 G N 2.640 111.582 108.800 0.235 0.000 2.404 274 G HA2 0.539 4.917 3.960 0.698 0.000 0.316 274 G HA3 0.539 4.917 3.960 0.698 0.000 0.316 274 G C 0.166 175.223 174.900 0.261 0.000 1.074 274 G CA -0.702 44.539 45.100 0.235 0.000 0.989 274 G HN 0.937 nan 8.290 nan 0.000 0.430 275 G N 2.670 111.610 108.800 0.233 0.000 2.432 275 G HA2 0.484 4.863 3.960 0.698 0.000 0.257 275 G HA3 0.484 4.863 3.960 0.698 0.000 0.257 275 G C -2.573 172.285 174.900 -0.070 0.000 1.238 275 G CA -1.102 44.053 45.100 0.091 0.000 0.838 275 G HN 0.374 nan 8.290 nan 0.000 0.547 276 P HA 0.025 nan 4.420 nan 0.000 0.264 276 P C 0.419 177.708 177.300 -0.018 0.000 1.236 276 P CA -0.408 62.595 63.100 -0.161 0.000 0.811 276 P CB 0.434 32.008 31.700 -0.211 0.000 0.840 277 F N 5.034 124.897 119.950 -0.146 0.000 2.120 277 F HA -0.280 4.666 4.527 0.698 0.000 0.300 277 F C 2.182 177.948 175.800 -0.057 0.000 1.095 277 F CA 1.909 59.859 58.000 -0.084 0.000 1.249 277 F CB -0.956 38.003 39.000 -0.068 0.000 0.995 277 F HN 0.339 nan 8.300 nan 0.000 0.480 278 A N -0.030 122.761 122.820 -0.048 0.000 1.940 278 A HA -0.250 4.489 4.320 0.698 0.000 0.221 278 A C 2.154 179.646 177.584 -0.154 0.000 1.190 278 A CA 2.195 54.158 52.037 -0.123 0.000 0.647 278 A CB -1.250 17.729 19.000 -0.034 0.000 0.821 278 A HN 0.465 nan 8.150 nan 0.000 0.457 279 L N -0.311 120.846 121.223 -0.110 0.000 2.071 279 L HA 0.028 4.787 4.340 0.698 0.000 0.201 279 L C 1.806 178.610 176.870 -0.111 0.000 1.076 279 L CA 2.127 56.908 54.840 -0.100 0.000 0.755 279 L CB -1.144 40.849 42.059 -0.109 0.000 0.915 279 L HN 0.311 nan 8.230 nan 0.000 0.445 280 N N 0.255 118.905 118.700 -0.083 0.000 2.242 280 N HA -0.209 4.949 4.740 0.698 0.000 0.191 280 N C 1.684 177.165 175.510 -0.048 0.000 1.005 280 N CA 1.425 54.468 53.050 -0.012 0.000 0.877 280 N CB -0.255 38.307 38.487 0.124 0.000 0.983 280 N HN 0.584 nan 8.380 nan 0.000 0.439 281 A N 1.069 123.729 122.820 -0.267 0.000 1.841 281 A HA -0.018 4.721 4.320 0.698 0.000 0.214 281 A C -0.212 177.293 177.584 -0.132 0.000 1.195 281 A CA 1.126 52.960 52.037 -0.338 0.000 0.611 281 A CB -1.488 17.081 19.000 -0.719 0.000 0.835 281 A HN 0.194 nan 8.150 nan 0.000 0.443 282 P HA -0.128 nan 4.420 nan 0.000 0.220 282 P C 1.173 178.767 177.300 0.490 0.000 1.144 282 P CA 0.954 64.114 63.100 0.099 0.000 0.800 282 P CB -0.057 31.772 31.700 0.216 0.000 0.772 283 I N -2.144 118.595 120.570 0.281 0.000 2.339 283 I HA -0.153 4.436 4.170 0.698 0.000 0.245 283 I C 2.227 178.590 176.117 0.410 0.000 1.096 283 I CA 1.238 62.776 61.300 0.397 0.000 1.408 283 I CB -0.504 37.594 38.000 0.163 0.000 1.092 283 I HN -0.107 nan 8.210 nan 0.000 0.423 284 M N 0.731 120.477 119.600 0.244 0.000 2.149 284 M HA -0.193 4.706 4.480 0.698 0.000 0.261 284 M C 2.522 178.962 176.300 0.232 0.000 1.064 284 M CA 1.938 57.366 55.300 0.213 0.000 1.102 284 M CB -0.662 32.037 32.600 0.164 0.000 1.369 284 M HN 0.284 nan 8.290 nan 0.000 0.408 285 A N -0.201 122.767 122.820 0.246 0.000 2.042 285 A HA -0.118 4.621 4.320 0.698 0.000 0.222 285 A C 2.215 179.993 177.584 0.324 0.000 1.167 285 A CA 1.969 54.171 52.037 0.275 0.000 0.649 285 A CB -0.758 18.419 19.000 0.295 0.000 0.809 285 A HN 0.365 nan 8.150 nan 0.000 0.457 286 V N -1.585 118.564 119.914 0.392 0.000 2.922 286 V HA 0.063 4.602 4.120 0.698 0.000 0.242 286 V C 2.846 179.047 176.094 0.178 0.000 1.094 286 V CA 1.010 63.472 62.300 0.269 0.000 1.106 286 V CB -0.642 31.383 31.823 0.336 0.000 0.799 286 V HN 0.567 nan 8.190 nan 0.000 0.474 287 A N 0.185 123.158 122.820 0.256 0.000 1.892 287 A HA -0.348 4.391 4.320 0.698 0.000 0.218 287 A C 2.139 179.750 177.584 0.044 0.000 1.188 287 A CA 2.625 54.754 52.037 0.153 0.000 0.631 287 A CB -0.600 18.524 19.000 0.208 0.000 0.822 287 A HN 0.518 nan 8.150 nan 0.000 0.447 288 Q N 0.128 119.977 119.800 0.081 0.000 2.050 288 Q HA -0.081 4.678 4.340 0.698 0.000 0.202 288 Q C -0.652 175.351 176.000 0.005 0.000 0.980 288 Q CA 2.372 58.207 55.803 0.054 0.000 0.840 288 Q CB -1.313 27.475 28.738 0.083 0.000 0.898 288 Q HN 0.458 nan 8.270 nan 0.000 0.424 289 P HA -0.141 nan 4.420 nan 0.000 0.215 289 P C 1.307 178.546 177.300 -0.102 0.000 1.153 289 P CA 1.160 64.240 63.100 -0.032 0.000 0.853 289 P CB -0.025 31.666 31.700 -0.015 0.000 0.788 290 V N -0.312 119.494 119.914 -0.181 0.000 2.255 290 V HA -0.287 4.251 4.120 0.698 0.000 0.247 290 V C 2.546 178.467 176.094 -0.288 0.000 1.051 290 V CA 1.886 63.992 62.300 -0.325 0.000 1.018 290 V CB -0.863 30.613 31.823 -0.580 0.000 0.641 290 V HN 0.025 nan 8.190 nan 0.000 0.445 291 R N 0.053 120.400 120.500 -0.255 0.000 2.133 291 R HA -0.239 4.520 4.340 0.698 0.000 0.245 291 R C 2.237 178.407 176.300 -0.216 0.000 1.137 291 R CA 2.247 58.155 56.100 -0.321 0.000 0.947 291 R CB -0.459 29.801 30.300 -0.066 0.000 0.865 291 R HN 0.566 nan 8.270 nan 0.000 0.437 292 N N 0.529 119.196 118.700 -0.055 0.000 2.137 292 N HA -0.216 4.943 4.740 0.698 0.000 0.190 292 N C 1.534 177.020 175.510 -0.041 0.000 1.017 292 N CA 1.302 54.348 53.050 -0.006 0.000 0.859 292 N CB -0.191 38.286 38.487 -0.016 0.000 1.002 292 N HN 0.313 nan 8.380 nan 0.000 0.428 293 K N 1.088 121.435 120.400 -0.089 0.000 1.965 293 K HA -0.101 4.638 4.320 0.698 0.000 0.214 293 K C 2.134 178.702 176.600 -0.054 0.000 1.042 293 K CA 1.352 57.598 56.287 -0.068 0.000 0.950 293 K CB -0.264 32.204 32.500 -0.053 0.000 0.733 293 K HN 0.088 nan 8.250 nan 0.000 0.441 294 I N -0.575 119.944 120.570 -0.085 0.000 2.236 294 I HA -0.271 4.318 4.170 0.698 0.000 0.249 294 I C 1.745 177.892 176.117 0.051 0.000 1.102 294 I CA 1.576 62.886 61.300 0.017 0.000 1.365 294 I CB -0.953 36.843 38.000 -0.339 0.000 1.051 294 I HN 0.194 nan 8.210 nan 0.000 0.420 295 Y N 1.567 121.852 120.300 -0.024 0.000 2.509 295 Y HA -0.034 4.934 4.550 0.697 0.000 0.293 295 Y C 2.717 178.581 175.900 -0.060 0.000 1.133 295 Y CA 0.443 58.495 58.100 -0.079 0.000 1.283 295 Y CB -0.874 37.421 38.460 -0.274 0.000 1.001 295 Y HN 0.543 nan 8.280 nan 0.000 0.555 296 S N -0.606 115.143 115.700 0.082 0.000 2.500 296 S HA -0.027 4.862 4.470 0.698 0.000 0.174 296 S C 2.008 176.595 174.600 -0.022 0.000 0.857 296 S CA 0.316 58.537 58.200 0.035 0.000 0.905 296 S CB -0.568 62.627 63.200 -0.008 0.000 0.819 296 S HN 0.181 nan 8.310 nan 0.000 0.557 297 K N 0.405 120.715 120.400 -0.152 0.000 2.077 297 K HA -0.179 4.560 4.320 0.698 0.000 0.213 297 K C 0.543 176.883 176.600 -0.432 0.000 1.051 297 K CA 1.723 57.789 56.287 -0.368 0.000 0.929 297 K CB -0.359 31.755 32.500 -0.643 0.000 0.715 297 K HN 0.590 nan 8.250 nan 0.000 0.451 298 Y N -0.286 120.070 120.300 0.094 0.000 2.811 298 Y HA 0.317 5.286 4.550 0.698 0.000 0.330 298 Y C 1.199 177.112 175.900 0.022 0.000 1.081 298 Y CA -0.202 57.931 58.100 0.055 0.000 1.408 298 Y CB -0.007 38.491 38.460 0.064 0.000 1.235 298 Y HN 0.113 nan 8.280 nan 0.000 0.529 299 A N -0.724 122.185 122.820 0.147 0.000 2.131 299 A HA -0.262 4.477 4.320 0.698 0.000 0.220 299 A C 1.904 179.520 177.584 0.052 0.000 1.158 299 A CA 1.346 53.476 52.037 0.154 0.000 0.665 299 A CB -0.825 18.276 19.000 0.168 0.000 0.795 299 A HN 0.676 nan 8.150 nan 0.000 0.460 300 Y N 1.521 121.801 120.300 -0.033 0.000 2.145 300 Y HA -0.235 4.732 4.550 0.696 0.000 0.286 300 Y C 2.760 178.631 175.900 -0.048 0.000 1.145 300 Y CA 2.585 60.659 58.100 -0.043 0.000 1.148 300 Y CB -0.284 38.130 38.460 -0.078 0.000 0.981 300 Y HN 0.403 nan 8.280 nan 0.000 0.507 301 T N -3.201 111.239 114.554 -0.189 0.000 3.065 301 T HA 0.073 4.842 4.350 0.698 0.000 0.252 301 T C 1.305 175.819 174.700 -0.310 0.000 1.099 301 T CA 0.531 62.407 62.100 -0.372 0.000 1.063 301 T CB -0.687 67.777 68.868 -0.674 0.000 0.948 301 T HN 0.367 nan 8.240 nan 0.000 0.506 302 F N -0.100 119.829 119.950 -0.036 0.000 2.637 302 F HA 0.357 5.306 4.527 0.704 0.000 0.284 302 F C 1.295 176.981 175.800 -0.191 0.000 1.105 302 F CA -0.812 57.169 58.000 -0.032 0.000 1.356 302 F CB 0.401 39.361 39.000 -0.067 0.000 1.096 302 F HN 0.249 nan 8.300 nan 0.000 0.616 303 H N 1.863 120.758 119.070 -0.291 0.000 2.641 303 H HA 0.233 5.207 4.556 0.697 0.000 0.295 303 H C -0.960 173.998 175.328 -0.616 0.000 1.070 303 H CA -0.510 55.325 56.048 -0.356 0.000 1.257 303 H CB 0.052 29.760 29.762 -0.090 0.000 1.393 303 H HN 0.068 nan 8.280 nan 0.000 0.464 304 H N 4.156 123.254 119.070 0.046 0.000 2.658 304 H HA 0.095 5.069 4.556 0.697 0.000 0.337 304 H C 0.592 175.846 175.328 -0.122 0.000 1.009 304 H CA -0.403 55.594 56.048 -0.084 0.000 1.231 304 H CB 2.057 31.852 29.762 0.054 0.000 1.508 304 H HN 0.749 nan 8.280 nan 0.000 0.517 305 T N -0.217 114.301 114.554 -0.061 0.000 3.234 305 T HA 0.052 4.821 4.350 0.698 0.000 0.235 305 T C 0.942 175.723 174.700 0.135 0.000 0.971 305 T CA 0.508 62.665 62.100 0.095 0.000 1.292 305 T CB -0.181 68.701 68.868 0.022 0.000 0.994 305 T HN 0.533 nan 8.240 nan 0.000 0.412 306 T N 0.615 115.189 114.554 0.033 0.000 2.944 306 T HA 0.473 5.242 4.350 0.698 0.000 0.284 306 T C 1.146 175.824 174.700 -0.037 0.000 1.010 306 T CA -0.879 61.231 62.100 0.016 0.000 1.025 306 T CB 1.854 70.719 68.868 -0.004 0.000 1.079 306 T HN 0.562 nan 8.240 nan 0.000 0.516 307 R N 0.214 120.688 120.500 -0.044 0.000 2.237 307 R HA 0.035 4.794 4.340 0.698 0.000 0.219 307 R C 1.259 177.590 176.300 0.052 0.000 1.080 307 R CA 0.563 56.630 56.100 -0.056 0.000 0.995 307 R CB -0.417 29.868 30.300 -0.025 0.000 0.875 307 R HN 0.387 nan 8.270 nan 0.000 0.462 308 L N 1.326 122.567 121.223 0.030 0.000 2.249 308 L HA 0.016 4.775 4.340 0.698 0.000 0.207 308 L C 2.172 179.059 176.870 0.029 0.000 1.090 308 L CA 1.167 56.031 54.840 0.041 0.000 0.802 308 L CB -1.657 40.409 42.059 0.012 0.000 0.947 308 L HN 0.419 nan 8.230 nan 0.000 0.453 309 N N 0.875 119.576 118.700 0.002 0.000 2.120 309 N HA -0.218 4.941 4.740 0.698 0.000 0.188 309 N C 1.651 177.158 175.510 -0.005 0.000 1.024 309 N CA 1.278 54.318 53.050 -0.017 0.000 0.852 309 N CB 0.314 38.774 38.487 -0.046 0.000 1.003 309 N HN 0.381 nan 8.380 nan 0.000 0.424 310 K N 0.831 121.244 120.400 0.021 0.000 1.984 310 K HA -0.169 4.570 4.320 0.698 0.000 0.209 310 K C 1.967 178.651 176.600 0.141 0.000 1.046 310 K CA 1.272 57.588 56.287 0.049 0.000 0.934 310 K CB -0.329 32.110 32.500 -0.102 0.000 0.717 310 K HN 0.209 nan 8.250 nan 0.000 0.438 311 E N 1.476 121.871 120.200 0.325 0.000 2.172 311 E HA -0.349 4.420 4.350 0.698 0.000 0.213 311 E C 1.856 178.413 176.600 -0.073 0.000 1.051 311 E CA 2.068 58.525 56.400 0.093 0.000 0.860 311 E CB -0.016 29.735 29.700 0.085 0.000 0.755 311 E HN 0.245 nan 8.360 nan 0.000 0.462 312 E N 0.204 120.381 120.200 -0.038 0.000 2.045 312 E HA -0.275 4.493 4.350 0.698 0.000 0.212 312 E C 1.978 178.515 176.600 -0.106 0.000 1.039 312 E CA 2.526 58.895 56.400 -0.052 0.000 0.860 312 E CB -0.005 29.681 29.700 -0.023 0.000 0.776 312 E HN 0.253 nan 8.360 nan 0.000 0.467 313 K N -0.385 119.925 120.400 -0.151 0.000 2.044 313 K HA -0.163 4.576 4.320 0.698 0.000 0.210 313 K C 2.135 178.359 176.600 -0.626 0.000 1.049 313 K CA 1.750 57.898 56.287 -0.230 0.000 0.927 313 K CB -0.281 32.004 32.500 -0.359 0.000 0.713 313 K HN 0.096 nan 8.250 nan 0.000 0.443 314 V N 1.938 121.361 119.914 -0.819 0.000 2.809 314 V HA -0.146 4.393 4.120 0.698 0.000 0.256 314 V C 2.076 177.814 176.094 -0.593 0.000 1.080 314 V CA 1.266 62.847 62.300 -1.198 0.000 1.102 314 V CB -0.446 30.845 31.823 -0.886 0.000 0.705 314 V HN 0.216 nan 8.190 nan 0.000 0.475 315 K N 0.886 121.083 120.400 -0.339 0.000 2.103 315 K HA -0.162 4.576 4.320 0.698 0.000 0.207 315 K C 1.808 178.381 176.600 -0.045 0.000 1.048 315 K CA 1.401 57.598 56.287 -0.150 0.000 0.930 315 K CB -0.215 32.229 32.500 -0.094 0.000 0.716 315 K HN 0.645 nan 8.250 nan 0.000 0.444 316 E N -0.774 119.405 120.200 -0.034 0.000 2.489 316 E HA -0.054 4.715 4.350 0.698 0.000 0.193 316 E C 0.056 176.847 176.600 0.317 0.000 1.057 316 E CA -0.154 56.321 56.400 0.125 0.000 0.866 316 E CB 0.098 29.888 29.700 0.151 0.000 0.916 316 E HN 0.136 nan 8.360 nan 0.000 0.500 317 W N 0.680 122.033 121.300 0.088 0.000 2.253 317 W HA 0.185 5.303 4.660 0.763 0.000 0.348 317 W C 1.284 177.876 176.519 0.123 0.000 1.229 317 W CA -1.187 56.223 57.345 0.109 0.000 1.335 317 W CB 0.694 30.216 29.460 0.104 0.000 1.165 317 W HN -0.193 nan 8.180 nan 0.000 0.631 318 S N 0.321 116.247 115.700 0.378 0.000 2.512 318 S HA 0.183 5.072 4.470 0.698 0.000 0.216 318 S C -0.253 174.506 174.600 0.265 0.000 1.006 318 S CA -0.012 58.353 58.200 0.274 0.000 0.915 318 S CB 0.290 63.627 63.200 0.229 0.000 0.824 318 S HN 0.228 nan 8.310 nan 0.000 0.497 319 L N 0.707 122.117 121.223 0.311 0.000 2.513 319 L HA 0.646 5.405 4.340 0.698 0.000 0.261 319 L C -1.888 175.219 176.870 0.395 0.000 0.945 319 L CA -0.634 54.346 54.840 0.233 0.000 0.848 319 L CB 1.719 43.760 42.059 -0.029 0.000 1.334 319 L HN 0.103 nan 8.230 nan 0.000 0.407 320 C N 5.285 124.804 119.300 0.365 0.000 2.432 320 C HA 0.846 5.725 4.460 0.698 0.000 0.334 320 C C -1.030 174.068 174.990 0.179 0.000 1.155 320 C CA -0.412 58.876 59.018 0.451 0.000 1.335 320 C CB 0.569 28.657 27.740 0.580 0.000 1.964 320 C HN 0.621 nan 8.230 nan 0.000 0.444 321 V N 5.986 125.946 119.914 0.076 0.000 2.398 321 V HA 0.686 5.224 4.120 0.698 0.000 0.286 321 V C 0.689 176.737 176.094 -0.077 0.000 1.026 321 V CA -0.195 61.979 62.300 -0.209 0.000 0.868 321 V CB 1.519 33.183 31.823 -0.266 0.000 0.982 321 V HN 1.065 nan 8.190 nan 0.000 0.443 322 A N 3.948 126.738 122.820 -0.050 0.000 2.316 322 A HA 0.636 5.375 4.320 0.698 0.000 0.311 322 A C 0.618 178.227 177.584 0.042 0.000 1.339 322 A CA -0.228 51.836 52.037 0.045 0.000 0.960 322 A CB 0.065 19.148 19.000 0.137 0.000 1.152 322 A HN 0.935 nan 8.150 nan 0.000 0.547 323 T N -0.425 114.129 114.554 0.001 0.000 2.824 323 T HA 0.622 5.390 4.350 0.698 0.000 0.277 323 T C -0.604 174.170 174.700 0.123 0.000 0.975 323 T CA -0.395 61.739 62.100 0.058 0.000 0.966 323 T CB 1.403 70.268 68.868 -0.006 0.000 1.054 323 T HN 0.532 nan 8.240 nan 0.000 0.533 324 D N -0.445 120.058 120.400 0.173 0.000 2.931 324 D HA 0.439 5.497 4.640 0.698 0.000 0.215 324 D C -1.479 174.928 176.300 0.178 0.000 1.297 324 D CA -0.521 53.578 54.000 0.165 0.000 0.892 324 D CB 1.767 42.623 40.800 0.094 0.000 1.642 324 D HN 0.565 nan 8.370 nan 0.000 0.560 325 V N 2.215 122.250 119.914 0.201 0.000 2.483 325 V HA 0.713 5.252 4.120 0.698 0.000 0.295 325 V C 0.141 176.336 176.094 0.168 0.000 1.035 325 V CA -0.695 61.714 62.300 0.182 0.000 0.896 325 V CB 1.664 33.631 31.823 0.240 0.000 0.986 325 V HN 0.572 nan 8.190 nan 0.000 0.447 326 S N 2.021 117.811 115.700 0.150 0.000 2.501 326 S HA 0.506 5.395 4.470 0.698 0.000 0.301 326 S C -0.091 174.667 174.600 0.264 0.000 1.096 326 S CA -0.250 58.053 58.200 0.171 0.000 1.063 326 S CB 0.751 64.030 63.200 0.132 0.000 1.042 326 S HN 0.996 nan 8.310 nan 0.000 0.494 327 D N 2.021 122.559 120.400 0.231 0.000 2.705 327 D HA -0.202 4.857 4.640 0.698 0.000 0.240 327 D C 0.805 177.313 176.300 0.346 0.000 1.137 327 D CA 1.040 55.182 54.000 0.237 0.000 0.677 327 D CB -1.306 39.613 40.800 0.198 0.000 1.049 327 D HN 0.790 nan 8.370 nan 0.000 0.427 328 H N 0.250 119.450 119.070 0.217 0.000 2.319 328 H HA -0.161 4.813 4.556 0.697 0.000 0.297 328 H C 1.179 176.643 175.328 0.226 0.000 1.097 328 H CA 2.404 58.590 56.048 0.231 0.000 1.285 328 H CB 0.238 30.096 29.762 0.159 0.000 1.368 328 H HN 0.417 nan 8.280 nan 0.000 0.495 329 D N -0.489 120.050 120.400 0.231 0.000 2.097 329 D HA -0.130 4.928 4.640 0.698 0.000 0.195 329 D C 2.317 178.627 176.300 0.017 0.000 0.989 329 D CA 2.587 56.648 54.000 0.102 0.000 0.827 329 D CB -0.386 40.445 40.800 0.051 0.000 0.966 329 D HN 0.591 nan 8.370 nan 0.000 0.456 330 T N -2.184 112.357 114.554 -0.022 0.000 2.995 330 T HA -0.050 4.719 4.350 0.698 0.000 0.269 330 T C 1.718 176.332 174.700 -0.144 0.000 1.091 330 T CA 0.500 62.529 62.100 -0.117 0.000 1.128 330 T CB -0.478 68.266 68.868 -0.208 0.000 0.891 330 T HN 0.113 nan 8.240 nan 0.000 0.492 331 F N -0.429 119.518 119.950 -0.004 0.000 2.473 331 F HA 0.331 5.279 4.527 0.701 0.000 0.294 331 F C 0.938 176.708 175.800 -0.050 0.000 1.103 331 F CA -1.405 56.584 58.000 -0.019 0.000 1.442 331 F CB -0.067 38.917 39.000 -0.027 0.000 1.097 331 F HN 0.128 nan 8.300 nan 0.000 0.547 332 W N 5.586 126.805 121.300 -0.134 0.000 2.550 332 W HA -0.048 5.030 4.660 0.697 0.000 0.339 332 W C -2.020 174.348 176.519 -0.252 0.000 1.174 332 W CA -1.620 55.566 57.345 -0.265 0.000 1.243 332 W CB -0.109 29.185 29.460 -0.278 0.000 1.172 332 W HN -0.148 nan 8.180 nan 0.000 0.566 333 P HA 0.009 nan 4.420 nan 0.000 0.267 333 P C 0.658 177.419 177.300 -0.899 0.000 1.209 333 P CA 0.726 63.258 63.100 -0.946 0.000 0.763 333 P CB 1.100 31.714 31.700 -1.811 0.000 0.816 334 G N 4.246 112.825 108.800 -0.368 0.000 2.422 334 G HA2 -0.235 4.144 3.960 0.698 0.000 0.218 334 G HA3 -0.235 4.144 3.960 0.698 0.000 0.218 334 G C 1.288 176.082 174.900 -0.177 0.000 1.146 334 G CA 0.066 45.087 45.100 -0.131 0.000 0.769 334 G HN 0.713 nan 8.290 nan 0.000 0.547 335 W N 0.300 121.500 121.300 -0.167 0.000 2.392 335 W HA 0.068 5.145 4.660 0.695 0.000 0.279 335 W C 1.640 177.987 176.519 -0.287 0.000 1.225 335 W CA 0.379 57.616 57.345 -0.181 0.000 1.233 335 W CB -0.991 28.371 29.460 -0.163 0.000 1.122 335 W HN 0.163 nan 8.180 nan 0.000 0.561 336 L N 2.304 122.901 121.223 -1.043 0.000 2.141 336 L HA -0.107 4.652 4.340 0.698 0.000 0.209 336 L C 2.980 179.615 176.870 -0.390 0.000 1.094 336 L CA 1.960 56.227 54.840 -0.955 0.000 0.763 336 L CB -0.973 40.116 42.059 -1.617 0.000 0.908 336 L HN -0.009 nan 8.230 nan 0.000 0.437 337 R N -0.402 119.951 120.500 -0.245 0.000 2.070 337 R HA -0.163 4.595 4.340 0.698 0.000 0.232 337 R C 1.826 178.185 176.300 0.099 0.000 1.138 337 R CA 2.055 58.247 56.100 0.153 0.000 0.936 337 R CB -0.606 29.847 30.300 0.255 0.000 0.839 337 R HN 0.437 nan 8.270 nan 0.000 0.429 338 D N 1.181 121.621 120.400 0.067 0.000 2.144 338 D HA -0.205 4.853 4.640 0.698 0.000 0.199 338 D C 2.050 178.381 176.300 0.051 0.000 0.984 338 D CA 1.206 55.250 54.000 0.074 0.000 0.834 338 D CB -0.189 40.663 40.800 0.087 0.000 0.955 338 D HN 0.306 nan 8.370 nan 0.000 0.465 339 L N 1.002 122.255 121.223 0.050 0.000 1.970 339 L HA -0.206 4.552 4.340 0.698 0.000 0.212 339 L C 2.523 179.386 176.870 -0.012 0.000 1.071 339 L CA 1.224 56.085 54.840 0.035 0.000 0.751 339 L CB -0.255 41.832 42.059 0.048 0.000 0.889 339 L HN -0.042 nan 8.230 nan 0.000 0.432 340 I N -0.707 119.840 120.570 -0.039 0.000 2.151 340 I HA -0.427 4.162 4.170 0.698 0.000 0.243 340 I C 2.685 178.693 176.117 -0.181 0.000 1.080 340 I CA 1.691 62.924 61.300 -0.110 0.000 1.339 340 I CB -0.489 37.463 38.000 -0.080 0.000 1.039 340 I HN 0.493 nan 8.210 nan 0.000 0.409 341 C N 0.367 119.613 119.300 -0.091 0.000 2.413 341 C HA -0.211 4.667 4.460 0.698 0.000 0.276 341 C C 2.599 177.541 174.990 -0.081 0.000 1.236 341 C CA 1.273 60.236 59.018 -0.091 0.000 1.735 341 C CB -1.057 26.701 27.740 0.029 0.000 2.031 341 C HN 0.577 nan 8.230 nan 0.000 0.474 342 D N 0.639 121.017 120.400 -0.037 0.000 2.092 342 D HA -0.179 4.879 4.640 0.698 0.000 0.193 342 D C 2.070 178.344 176.300 -0.044 0.000 0.994 342 D CA 1.813 55.800 54.000 -0.021 0.000 0.828 342 D CB -0.275 40.526 40.800 0.001 0.000 0.963 342 D HN 0.391 nan 8.370 nan 0.000 0.450 343 E N -0.114 120.047 120.200 -0.066 0.000 2.058 343 E HA -0.114 4.655 4.350 0.698 0.000 0.194 343 E C 2.298 178.826 176.600 -0.119 0.000 0.997 343 E CA 0.861 57.218 56.400 -0.072 0.000 0.801 343 E CB -0.521 29.137 29.700 -0.070 0.000 0.746 343 E HN 0.402 nan 8.360 nan 0.000 0.450 344 L N -0.266 120.812 121.223 -0.242 0.000 2.042 344 L HA -0.229 4.530 4.340 0.698 0.000 0.210 344 L C 2.458 179.259 176.870 -0.115 0.000 1.076 344 L CA 0.990 55.613 54.840 -0.362 0.000 0.749 344 L CB -0.416 41.273 42.059 -0.617 0.000 0.893 344 L HN 0.197 nan 8.230 nan 0.000 0.432 345 L N -0.596 120.590 121.223 -0.061 0.000 2.017 345 L HA -0.214 4.545 4.340 0.698 0.000 0.208 345 L C 2.419 179.302 176.870 0.021 0.000 1.073 345 L CA 1.197 56.042 54.840 0.007 0.000 0.745 345 L CB -0.724 41.340 42.059 0.009 0.000 0.894 345 L HN 0.306 nan 8.230 nan 0.000 0.432 346 N N 0.107 118.810 118.700 0.005 0.000 2.036 346 N HA -0.228 4.930 4.740 0.698 0.000 0.195 346 N C 1.853 177.381 175.510 0.031 0.000 1.037 346 N CA 1.724 54.783 53.050 0.015 0.000 0.855 346 N CB -0.444 38.048 38.487 0.008 0.000 1.033 346 N HN 0.331 nan 8.380 nan 0.000 0.423 347 M N -0.436 119.188 119.600 0.040 0.000 2.331 347 M HA -0.098 4.801 4.480 0.698 0.000 0.260 347 M C 1.009 177.367 176.300 0.097 0.000 1.072 347 M CA 1.480 56.831 55.300 0.084 0.000 1.065 347 M CB -0.272 32.408 32.600 0.132 0.000 1.392 347 M HN 0.419 nan 8.290 nan 0.000 0.427 348 G N -0.818 108.036 108.800 0.090 0.000 2.138 348 G HA2 -0.233 4.145 3.960 0.698 0.000 0.193 348 G HA3 -0.233 4.145 3.960 0.698 0.000 0.193 348 G C -0.347 174.550 174.900 -0.005 0.000 0.998 348 G CA -0.775 44.345 45.100 0.034 0.000 0.668 348 G HN 0.450 nan 8.290 nan 0.000 0.516 349 Y N 1.261 121.479 120.300 -0.137 0.000 2.442 349 Y HA 0.435 5.404 4.550 0.698 0.000 0.330 349 Y C 1.349 177.118 175.900 -0.219 0.000 1.129 349 Y CA 0.179 58.146 58.100 -0.222 0.000 1.365 349 Y CB 1.012 39.321 38.460 -0.252 0.000 1.233 349 Y HN 0.530 nan 8.280 nan 0.000 0.529 350 A N 7.081 129.752 122.820 -0.248 0.000 2.580 350 A HA -0.017 4.722 4.320 0.698 0.000 0.244 350 A C -1.640 175.731 177.584 -0.355 0.000 1.045 350 A CA -0.987 50.864 52.037 -0.310 0.000 0.761 350 A CB -0.194 18.502 19.000 -0.506 0.000 0.962 350 A HN 0.670 nan 8.150 nan 0.000 0.512 351 P HA -0.234 nan 4.420 nan 0.000 0.214 351 P C 1.700 179.012 177.300 0.021 0.000 1.169 351 P CA 2.229 65.331 63.100 0.003 0.000 0.908 351 P CB -0.266 31.494 31.700 0.100 0.000 0.791 352 W N -1.339 120.045 121.300 0.140 0.000 2.305 352 W HA -0.211 4.869 4.660 0.699 0.000 0.308 352 W C 2.080 178.712 176.519 0.188 0.000 1.226 352 W CA 0.759 58.179 57.345 0.126 0.000 1.253 352 W CB -2.108 27.410 29.460 0.096 0.000 1.146 352 W HN 0.105 nan 8.180 nan 0.000 0.507 353 W N 2.148 123.025 121.300 -0.705 0.000 2.379 353 W HA -0.150 4.928 4.660 0.697 0.000 0.307 353 W C 2.558 179.018 176.519 -0.098 0.000 1.200 353 W CA 3.058 60.120 57.345 -0.471 0.000 1.297 353 W CB -0.696 28.191 29.460 -0.955 0.000 1.140 353 W HN -0.276 nan 8.180 nan 0.000 0.507 354 V N 1.393 121.447 119.914 0.233 0.000 2.287 354 V HA -0.349 4.190 4.120 0.698 0.000 0.248 354 V C 2.333 178.453 176.094 0.043 0.000 1.053 354 V CA 2.380 64.777 62.300 0.161 0.000 1.027 354 V CB -1.171 30.727 31.823 0.126 0.000 0.646 354 V HN 0.097 nan 8.190 nan 0.000 0.447 355 K N 0.249 120.691 120.400 0.070 0.000 2.103 355 K HA -0.166 4.573 4.320 0.698 0.000 0.207 355 K C 1.856 178.495 176.600 0.065 0.000 1.048 355 K CA 1.629 57.975 56.287 0.098 0.000 0.930 355 K CB -0.611 31.970 32.500 0.135 0.000 0.716 355 K HN 0.426 nan 8.250 nan 0.000 0.444 356 L N -0.711 120.504 121.223 -0.013 0.000 1.989 356 L HA -0.150 4.609 4.340 0.698 0.000 0.211 356 L C 2.205 178.974 176.870 -0.168 0.000 1.071 356 L CA 1.615 56.404 54.840 -0.084 0.000 0.749 356 L CB -0.571 41.382 42.059 -0.177 0.000 0.890 356 L HN 0.145 nan 8.230 nan 0.000 0.431 357 F N 0.803 120.447 119.950 -0.509 0.000 2.063 357 F HA -0.334 4.611 4.527 0.697 0.000 0.298 357 F C 2.673 178.365 175.800 -0.180 0.000 1.109 357 F CA 2.256 59.991 58.000 -0.441 0.000 1.212 357 F CB -0.229 38.422 39.000 -0.580 0.000 0.973 357 F HN 0.167 nan 8.300 nan 0.000 0.480 358 E N -0.570 119.698 120.200 0.113 0.000 2.021 358 E HA -0.256 4.512 4.350 0.698 0.000 0.200 358 E C 2.038 178.632 176.600 -0.011 0.000 1.015 358 E CA 2.376 58.829 56.400 0.089 0.000 0.824 358 E CB -0.443 29.327 29.700 0.116 0.000 0.762 358 E HN 0.416 nan 8.360 nan 0.000 0.454 359 T N 0.530 115.088 114.554 0.007 0.000 2.685 359 T HA -0.271 4.498 4.350 0.698 0.000 0.268 359 T C 2.083 176.730 174.700 -0.089 0.000 1.034 359 T CA 1.899 63.983 62.100 -0.027 0.000 1.149 359 T CB -0.656 68.251 68.868 0.065 0.000 0.860 359 T HN 0.365 nan 8.240 nan 0.000 0.449 360 S N 1.186 116.804 115.700 -0.136 0.000 2.402 360 S HA -0.041 4.848 4.470 0.698 0.000 0.233 360 S C 1.720 176.268 174.600 -0.087 0.000 1.030 360 S CA 0.905 59.007 58.200 -0.164 0.000 1.003 360 S CB -0.569 62.455 63.200 -0.293 0.000 0.813 360 S HN 0.538 nan 8.310 nan 0.000 0.477 361 L N 0.809 121.942 121.223 -0.150 0.000 2.653 361 L HA 0.311 5.069 4.340 0.698 0.000 0.231 361 L C 0.765 177.621 176.870 -0.024 0.000 1.153 361 L CA 0.113 54.887 54.840 -0.109 0.000 0.933 361 L CB -0.011 41.955 42.059 -0.155 0.000 1.175 361 L HN 0.508 nan 8.230 nan 0.000 0.473 362 K N -0.736 119.656 120.400 -0.013 0.000 3.099 362 K HA 0.255 4.993 4.320 0.698 0.000 0.197 362 K C -0.485 176.099 176.600 -0.027 0.000 1.114 362 K CA -0.442 55.839 56.287 -0.011 0.000 1.024 362 K CB 0.454 32.943 32.500 -0.019 0.000 0.711 362 K HN -0.007 nan 8.250 nan 0.000 0.432 363 L N 1.964 123.205 121.223 0.031 0.000 2.421 363 L HA 0.453 5.212 4.340 0.698 0.000 0.263 363 L C -2.499 174.407 176.870 0.061 0.000 1.122 363 L CA -1.620 53.220 54.840 -0.000 0.000 0.804 363 L CB 0.919 42.955 42.059 -0.038 0.000 1.150 363 L HN 0.033 nan 8.230 nan 0.000 0.457 364 P HA 0.251 nan 4.420 nan 0.000 0.274 364 P C -1.722 175.653 177.300 0.125 0.000 1.256 364 P CA -0.304 62.829 63.100 0.056 0.000 0.795 364 P CB 1.071 32.780 31.700 0.016 0.000 1.038 365 V N 0.312 120.315 119.914 0.148 0.000 2.760 365 V HA 0.504 5.043 4.120 0.698 0.000 0.309 365 V C -1.767 174.435 176.094 0.180 0.000 1.077 365 V CA -0.987 61.419 62.300 0.177 0.000 0.910 365 V CB 1.469 33.368 31.823 0.127 0.000 1.008 365 V HN 0.421 nan 8.190 nan 0.000 0.424 366 Y N 5.135 125.479 120.300 0.073 0.000 2.350 366 Y HA 0.673 5.642 4.550 0.698 0.000 0.340 366 Y C -0.159 175.710 175.900 -0.051 0.000 1.006 366 Y CA -0.280 57.868 58.100 0.081 0.000 1.166 366 Y CB 1.529 40.085 38.460 0.161 0.000 1.168 366 Y HN 0.673 nan 8.280 nan 0.000 0.502 367 V N 8.283 127.884 119.914 -0.521 0.000 2.406 367 V HA 0.246 4.785 4.120 0.698 0.000 0.272 367 V C 0.912 176.559 176.094 -0.745 0.000 1.043 367 V CA 0.498 62.462 62.300 -0.560 0.000 0.915 367 V CB 0.712 32.173 31.823 -0.604 0.000 0.988 367 V HN 1.111 nan 8.190 nan 0.000 0.466 368 G N 4.149 112.615 108.800 -0.557 0.000 2.707 368 G HA2 0.294 4.673 3.960 0.698 0.000 0.204 368 G HA3 0.294 4.673 3.960 0.698 0.000 0.204 368 G C 0.339 175.049 174.900 -0.317 0.000 1.435 368 G CA 0.633 45.481 45.100 -0.419 0.000 0.890 368 G HN 1.099 nan 8.290 nan 0.000 0.552 369 A N -0.253 122.537 122.820 -0.049 0.000 2.745 369 A HA 0.663 5.402 4.320 0.698 0.000 0.301 369 A C -1.886 175.818 177.584 0.199 0.000 1.188 369 A CA -0.785 51.322 52.037 0.116 0.000 0.746 369 A CB 1.587 20.740 19.000 0.255 0.000 1.207 369 A HN 0.172 nan 8.150 nan 0.000 0.432 370 P HA 0.126 nan 4.420 nan 0.000 0.223 370 P C 0.529 177.778 177.300 -0.084 0.000 1.151 370 P CA 1.839 64.854 63.100 -0.141 0.000 0.787 370 P CB 0.374 31.863 31.700 -0.353 0.000 0.788 371 A N -2.886 119.925 122.820 -0.017 0.000 2.566 371 A HA 0.572 5.310 4.320 0.698 0.000 0.290 371 A C -3.119 174.295 177.584 -0.283 0.000 1.071 371 A CA -1.451 50.378 52.037 -0.348 0.000 0.658 371 A CB 0.114 18.984 19.000 -0.217 0.000 1.285 371 A HN -0.307 nan 8.150 nan 0.000 0.427 372 P HA 0.402 nan 4.420 nan 0.000 0.268 372 P C -0.434 176.840 177.300 -0.044 0.000 1.204 372 P CA 1.200 64.199 63.100 -0.168 0.000 0.768 372 P CB 0.453 32.027 31.700 -0.211 0.000 0.842 373 E N -0.193 120.024 120.200 0.030 0.000 2.694 373 E HA -0.219 4.550 4.350 0.698 0.000 0.272 373 E C -0.618 176.022 176.600 0.067 0.000 1.040 373 E CA 1.172 57.587 56.400 0.026 0.000 0.809 373 E CB -1.806 27.898 29.700 0.006 0.000 1.389 373 E HN 0.542 nan 8.360 nan 0.000 0.413 374 Q N -1.485 118.389 119.800 0.123 0.000 2.418 374 Q HA 0.660 5.419 4.340 0.698 0.000 0.282 374 Q C 0.368 176.528 176.000 0.266 0.000 1.044 374 Q CA -0.534 55.399 55.803 0.217 0.000 0.813 374 Q CB 2.446 31.343 28.738 0.266 0.000 1.428 374 Q HN 0.292 nan 8.270 nan 0.000 0.402 375 G N 0.221 109.216 108.800 0.326 0.000 2.378 375 G HA2 -0.185 4.194 3.960 0.698 0.000 0.198 375 G HA3 -0.185 4.194 3.960 0.698 0.000 0.198 375 G C -0.957 174.113 174.900 0.284 0.000 1.223 375 G CA -0.087 45.111 45.100 0.164 0.000 1.088 375 G HN 0.880 nan 8.290 nan 0.000 0.530 376 H N -0.588 118.403 119.070 -0.132 0.000 2.655 376 H HA -0.087 4.888 4.556 0.698 0.000 0.313 376 H C 0.461 175.776 175.328 -0.022 0.000 1.141 376 H CA 1.550 57.574 56.048 -0.040 0.000 1.138 376 H CB -1.944 27.878 29.762 0.100 0.000 1.446 376 H HN 0.783 nan 8.280 nan 0.000 0.415 377 T N 0.533 115.026 114.554 -0.102 0.000 2.876 377 T HA 0.532 5.301 4.350 0.698 0.000 0.289 377 T C -0.216 174.501 174.700 0.028 0.000 1.014 377 T CA -0.874 61.295 62.100 0.114 0.000 0.986 377 T CB 2.054 71.107 68.868 0.309 0.000 1.021 377 T HN 0.236 nan 8.240 nan 0.000 0.458 378 L N 4.196 125.584 121.223 0.275 0.000 2.298 378 L HA 0.616 5.375 4.340 0.698 0.000 0.284 378 L C -1.290 175.812 176.870 0.387 0.000 1.013 378 L CA -0.459 54.582 54.840 0.334 0.000 0.824 378 L CB 0.385 42.690 42.059 0.410 0.000 1.221 378 L HN 0.568 nan 8.230 nan 0.000 0.418 379 L N 6.188 127.596 121.223 0.309 0.000 2.276 379 L HA 0.788 5.547 4.340 0.698 0.000 0.286 379 L C 0.716 177.724 176.870 0.230 0.000 1.061 379 L CA -0.332 54.679 54.840 0.285 0.000 0.807 379 L CB 0.777 42.982 42.059 0.244 0.000 1.177 379 L HN 0.947 nan 8.230 nan 0.000 0.429 380 G N 2.059 111.009 108.800 0.251 0.000 2.879 380 G HA2 -0.178 4.201 3.960 0.698 0.000 0.686 380 G HA3 -0.178 4.201 3.960 0.698 0.000 0.686 380 G C -0.934 174.112 174.900 0.243 0.000 1.115 380 G CA -0.852 44.365 45.100 0.195 0.000 0.770 380 G HN 0.730 nan 8.290 nan 0.000 0.601 381 D N 2.690 123.228 120.400 0.231 0.000 2.351 381 D HA 0.443 5.502 4.640 0.698 0.000 0.251 381 D C -1.037 175.235 176.300 -0.047 0.000 1.137 381 D CA -2.102 51.974 54.000 0.127 0.000 0.879 381 D CB 1.489 42.408 40.800 0.198 0.000 1.181 381 D HN 0.063 nan 8.370 nan 0.000 0.448 382 P HA 0.085 nan 4.420 nan 0.000 0.241 382 P C 0.716 177.909 177.300 -0.178 0.000 1.191 382 P CA 0.306 63.279 63.100 -0.212 0.000 0.771 382 P CB 0.445 31.960 31.700 -0.308 0.000 0.929 383 S N -1.377 114.264 115.700 -0.100 0.000 2.496 383 S HA 0.046 4.935 4.470 0.698 0.000 0.224 383 S C 0.951 175.568 174.600 0.028 0.000 0.996 383 S CA 0.488 58.694 58.200 0.009 0.000 0.927 383 S CB -0.331 62.891 63.200 0.036 0.000 0.774 383 S HN 0.132 nan 8.310 nan 0.000 0.524 384 N N 1.522 120.163 118.700 -0.099 0.000 2.725 384 N HA 0.255 5.414 4.740 0.698 0.000 0.248 384 N C -3.356 171.995 175.510 -0.265 0.000 1.402 384 N CA -1.358 51.598 53.050 -0.158 0.000 0.766 384 N CB 1.201 39.691 38.487 0.004 0.000 1.223 384 N HN -0.010 nan 8.380 nan 0.000 0.515 385 P HA 0.047 nan 4.420 nan 0.000 0.257 385 P C -0.360 176.809 177.300 -0.219 0.000 1.189 385 P CA 0.507 63.383 63.100 -0.374 0.000 0.780 385 P CB 0.255 31.623 31.700 -0.553 0.000 0.772 386 D N 2.247 122.584 120.400 -0.106 0.000 2.996 386 D HA 0.103 5.161 4.640 0.698 0.000 0.343 386 D C -0.494 175.798 176.300 -0.014 0.000 1.574 386 D CA -0.194 53.779 54.000 -0.045 0.000 0.773 386 D CB -0.524 40.263 40.800 -0.023 0.000 1.241 386 D HN 0.067 nan 8.370 nan 0.000 0.469 387 L N 0.591 121.807 121.223 -0.013 0.000 2.416 387 L HA 0.458 5.216 4.340 0.698 0.000 0.262 387 L C 0.492 177.370 176.870 0.012 0.000 1.093 387 L CA 0.170 55.014 54.840 0.007 0.000 0.801 387 L CB 1.141 43.211 42.059 0.018 0.000 1.191 387 L HN -0.038 nan 8.230 nan 0.000 0.459 388 E N 1.238 121.448 120.200 0.016 0.000 3.666 388 E HA 0.152 4.921 4.350 0.698 0.000 0.230 388 E C 0.379 176.989 176.600 0.016 0.000 1.235 388 E CA 0.051 56.466 56.400 0.025 0.000 1.096 388 E CB 0.945 30.663 29.700 0.031 0.000 1.287 388 E HN 0.439 nan 8.360 nan 0.000 0.406 389 V N -1.462 118.453 119.914 0.001 0.000 3.461 389 V HA 0.381 4.919 4.120 0.698 0.000 0.267 389 V C 1.083 177.161 176.094 -0.027 0.000 1.186 389 V CA 0.890 63.177 62.300 -0.023 0.000 1.154 389 V CB -0.468 31.323 31.823 -0.054 0.000 0.802 389 V HN 0.517 nan 8.190 nan 0.000 0.474 390 G N 0.387 109.199 108.800 0.020 0.000 2.709 390 G HA2 -0.172 4.207 3.960 0.698 0.000 0.228 390 G HA3 -0.172 4.207 3.960 0.698 0.000 0.228 390 G C -0.519 174.409 174.900 0.046 0.000 1.215 390 G CA -0.083 45.068 45.100 0.086 0.000 1.003 390 G HN 0.495 nan 8.290 nan 0.000 0.584 391 L N 2.391 123.548 121.223 -0.110 0.000 2.313 391 L HA 0.544 5.303 4.340 0.698 0.000 0.273 391 L C 0.374 177.026 176.870 -0.364 0.000 1.028 391 L CA -0.400 54.194 54.840 -0.410 0.000 0.871 391 L CB 0.899 42.542 42.059 -0.694 0.000 1.242 391 L HN 0.533 nan 8.230 nan 0.000 0.434 392 S N 1.815 117.268 115.700 -0.411 0.000 2.560 392 S HA -0.060 4.828 4.470 0.698 0.000 0.323 392 S C 1.595 175.896 174.600 -0.498 0.000 1.191 392 S CA 0.406 58.267 58.200 -0.565 0.000 1.231 392 S CB 0.593 63.170 63.200 -1.038 0.000 1.224 392 S HN 0.861 nan 8.310 nan 0.000 0.545 393 S N 4.082 119.573 115.700 -0.348 0.000 2.399 393 S HA -0.240 4.649 4.470 0.698 0.000 0.235 393 S C 2.101 176.599 174.600 -0.171 0.000 1.063 393 S CA 1.575 59.637 58.200 -0.230 0.000 1.070 393 S CB -1.135 61.967 63.200 -0.164 0.000 0.904 393 S HN 0.783 nan 8.310 nan 0.000 0.456 394 G N 1.324 110.020 108.800 -0.174 0.000 2.462 394 G HA2 -0.129 4.249 3.960 0.698 0.000 0.220 394 G HA3 -0.129 4.249 3.960 0.698 0.000 0.220 394 G C 0.657 175.604 174.900 0.079 0.000 1.121 394 G CA 0.385 45.491 45.100 0.010 0.000 0.758 394 G HN 0.645 nan 8.290 nan 0.000 0.559 395 Q N 0.443 120.253 119.800 0.016 0.000 2.342 395 Q HA -0.007 4.752 4.340 0.698 0.000 0.330 395 Q C 1.808 177.816 176.000 0.013 0.000 1.117 395 Q CA 0.551 56.376 55.803 0.035 0.000 1.010 395 Q CB 0.746 29.413 28.738 -0.119 0.000 1.204 395 Q HN 0.172 nan 8.270 nan 0.000 0.400 396 G N 2.805 111.627 108.800 0.038 0.000 2.485 396 G HA2 -0.199 4.180 3.960 0.698 0.000 0.221 396 G HA3 -0.199 4.180 3.960 0.698 0.000 0.221 396 G C 0.690 175.648 174.900 0.097 0.000 1.115 396 G CA 0.945 46.096 45.100 0.085 0.000 0.751 396 G HN 0.662 nan 8.290 nan 0.000 0.567 397 A N 0.058 122.920 122.820 0.071 0.000 2.643 397 A HA 0.467 5.206 4.320 0.698 0.000 0.295 397 A C 1.898 179.492 177.584 0.018 0.000 1.065 397 A CA 0.985 53.089 52.037 0.111 0.000 0.986 397 A CB -0.331 18.848 19.000 0.299 0.000 1.212 397 A HN 0.303 nan 8.150 nan 0.000 0.516 398 T N -0.992 113.525 114.554 -0.062 0.000 2.822 398 T HA -0.241 4.528 4.350 0.698 0.000 0.270 398 T C 1.397 176.034 174.700 -0.106 0.000 1.064 398 T CA 1.768 63.778 62.100 -0.150 0.000 1.131 398 T CB -0.455 68.319 68.868 -0.156 0.000 0.858 398 T HN 0.584 nan 8.240 nan 0.000 0.483 399 D N 1.846 122.222 120.400 -0.041 0.000 2.149 399 D HA -0.057 5.002 4.640 0.698 0.000 0.201 399 D C 2.162 178.446 176.300 -0.027 0.000 0.972 399 D CA 0.638 54.620 54.000 -0.030 0.000 0.835 399 D CB -0.782 40.026 40.800 0.013 0.000 0.966 399 D HN 0.448 nan 8.370 nan 0.000 0.476 400 L N -0.605 120.614 121.223 -0.006 0.000 2.093 400 L HA -0.098 4.661 4.340 0.698 0.000 0.208 400 L C 2.641 179.580 176.870 0.114 0.000 1.085 400 L CA 0.724 55.569 54.840 0.008 0.000 0.755 400 L CB -0.449 41.645 42.059 0.058 0.000 0.904 400 L HN -0.019 nan 8.230 nan 0.000 0.435 401 M N -0.071 119.597 119.600 0.113 0.000 2.086 401 M HA -0.091 4.808 4.480 0.698 0.000 0.261 401 M C 2.423 178.931 176.300 0.346 0.000 1.067 401 M CA 1.886 57.304 55.300 0.197 0.000 1.116 401 M CB -1.920 30.501 32.600 -0.298 0.000 1.348 401 M HN 0.279 nan 8.290 nan 0.000 0.407 402 G N -0.678 108.213 108.800 0.152 0.000 2.448 402 G HA2 -0.165 4.214 3.960 0.698 0.000 0.219 402 G HA3 -0.165 4.214 3.960 0.698 0.000 0.219 402 G C 1.487 176.547 174.900 0.268 0.000 1.127 402 G CA 1.548 46.817 45.100 0.282 0.000 0.766 402 G HN 0.476 nan 8.290 nan 0.000 0.552 403 T N 1.330 115.976 114.554 0.154 0.000 2.866 403 T HA 0.038 4.807 4.350 0.698 0.000 0.250 403 T C 2.199 177.030 174.700 0.219 0.000 1.033 403 T CA 0.502 62.677 62.100 0.125 0.000 1.145 403 T CB -0.339 68.451 68.868 -0.130 0.000 0.866 403 T HN 0.049 nan 8.240 nan 0.000 0.434 404 L N 1.658 123.006 121.223 0.208 0.000 2.103 404 L HA -0.116 4.643 4.340 0.698 0.000 0.215 404 L C 2.124 179.220 176.870 0.376 0.000 1.080 404 L CA 1.871 56.906 54.840 0.324 0.000 0.764 404 L CB -1.333 40.922 42.059 0.326 0.000 0.890 404 L HN 0.272 nan 8.230 nan 0.000 0.435 405 L N -0.359 121.072 121.223 0.346 0.000 1.971 405 L HA -0.150 4.608 4.340 0.698 0.000 0.208 405 L C 2.454 179.488 176.870 0.273 0.000 1.083 405 L CA 1.803 56.793 54.840 0.251 0.000 0.753 405 L CB -0.697 41.460 42.059 0.163 0.000 0.893 405 L HN 0.136 nan 8.230 nan 0.000 0.436 406 M N -0.511 119.229 119.600 0.233 0.000 2.202 406 M HA -0.177 4.722 4.480 0.698 0.000 0.262 406 M C 2.532 178.917 176.300 0.141 0.000 1.063 406 M CA 1.733 57.052 55.300 0.032 0.000 1.097 406 M CB -1.893 30.742 32.600 0.059 0.000 1.382 406 M HN 0.570 nan 8.290 nan 0.000 0.413 407 S N 0.905 116.844 115.700 0.400 0.000 2.344 407 S HA -0.099 4.790 4.470 0.698 0.000 0.217 407 S C 1.890 176.777 174.600 0.478 0.000 1.033 407 S CA 1.064 59.623 58.200 0.597 0.000 1.017 407 S CB 0.009 63.699 63.200 0.817 0.000 0.941 407 S HN 0.285 nan 8.310 nan 0.000 0.430 408 I N 1.815 122.602 120.570 0.361 0.000 2.208 408 I HA -0.136 4.453 4.170 0.698 0.000 0.245 408 I C 2.521 178.642 176.117 0.006 0.000 1.097 408 I CA 1.571 62.912 61.300 0.069 0.000 1.363 408 I CB -2.300 35.566 38.000 -0.223 0.000 1.051 408 I HN 0.330 nan 8.210 nan 0.000 0.413 409 T N 0.678 115.287 114.554 0.092 0.000 2.653 409 T HA -0.240 4.529 4.350 0.698 0.000 0.268 409 T C 1.900 176.662 174.700 0.104 0.000 1.035 409 T CA 1.831 63.997 62.100 0.110 0.000 1.154 409 T CB -0.439 68.433 68.868 0.007 0.000 0.862 409 T HN 0.184 nan 8.240 nan 0.000 0.441 410 Y N 0.914 121.332 120.300 0.197 0.000 2.163 410 Y HA 0.044 5.011 4.550 0.696 0.000 0.288 410 Y C 2.226 178.181 175.900 0.092 0.000 1.136 410 Y CA 0.148 58.338 58.100 0.150 0.000 1.147 410 Y CB -1.097 37.463 38.460 0.166 0.000 0.987 410 Y HN 0.137 nan 8.280 nan 0.000 0.509 411 L N -0.498 120.876 121.223 0.252 0.000 2.042 411 L HA -0.144 4.615 4.340 0.698 0.000 0.210 411 L C 1.983 178.827 176.870 -0.043 0.000 1.076 411 L CA 1.569 56.397 54.840 -0.021 0.000 0.749 411 L CB -0.921 41.034 42.059 -0.173 0.000 0.893 411 L HN 0.024 nan 8.230 nan 0.000 0.432 412 V N -0.298 119.626 119.914 0.016 0.000 2.626 412 V HA -0.246 4.293 4.120 0.698 0.000 0.252 412 V C 2.531 178.690 176.094 0.108 0.000 1.067 412 V CA 1.927 64.251 62.300 0.040 0.000 1.081 412 V CB -0.548 31.326 31.823 0.084 0.000 0.686 412 V HN 0.611 nan 8.190 nan 0.000 0.468 413 M N -0.875 118.810 119.600 0.141 0.000 2.419 413 M HA -0.141 4.757 4.480 0.698 0.000 0.264 413 M C 2.123 178.511 176.300 0.148 0.000 1.082 413 M CA 1.507 56.886 55.300 0.133 0.000 1.119 413 M CB 0.070 32.761 32.600 0.152 0.000 1.398 413 M HN 0.347 nan 8.290 nan 0.000 0.453 414 Q N -0.157 119.725 119.800 0.137 0.000 2.163 414 Q HA -0.005 4.754 4.340 0.698 0.000 0.198 414 Q C 2.008 178.092 176.000 0.140 0.000 0.954 414 Q CA 0.941 56.852 55.803 0.181 0.000 0.851 414 Q CB 0.128 28.875 28.738 0.016 0.000 0.928 414 Q HN 0.507 nan 8.270 nan 0.000 0.459 415 L N 0.822 122.068 121.223 0.037 0.000 2.046 415 L HA -0.212 4.546 4.340 0.698 0.000 0.208 415 L C 1.687 178.581 176.870 0.040 0.000 1.077 415 L CA 1.061 55.887 54.840 -0.023 0.000 0.747 415 L CB -0.426 41.583 42.059 -0.083 0.000 0.896 415 L HN 0.220 nan 8.230 nan 0.000 0.432 416 D N -0.724 119.751 120.400 0.124 0.000 2.084 416 D HA -0.166 4.893 4.640 0.698 0.000 0.194 416 D C 1.869 178.274 176.300 0.176 0.000 0.990 416 D CA 1.433 55.531 54.000 0.165 0.000 0.826 416 D CB -0.139 40.836 40.800 0.291 0.000 0.971 416 D HN 0.470 nan 8.370 nan 0.000 0.453 417 H N -1.788 117.322 119.070 0.066 0.000 2.586 417 H HA 0.216 5.184 4.556 0.686 0.000 0.273 417 H C 0.820 176.193 175.328 0.074 0.000 0.997 417 H CA 0.936 57.023 56.048 0.065 0.000 1.177 417 H CB 0.801 30.605 29.762 0.070 0.000 1.471 417 H HN 0.185 nan 8.280 nan 0.000 0.538 418 T N -3.671 111.021 114.554 0.231 0.000 3.191 418 T HA 0.341 5.110 4.350 0.698 0.000 0.285 418 T C 0.837 175.664 174.700 0.212 0.000 0.887 418 T CA 0.200 62.429 62.100 0.215 0.000 0.881 418 T CB 0.394 69.457 68.868 0.325 0.000 1.217 418 T HN 0.159 nan 8.240 nan 0.000 0.591 419 A N 1.688 124.555 122.820 0.079 0.000 3.106 419 A HA 0.676 5.414 4.320 0.698 0.000 0.227 419 A C -2.064 175.278 177.584 -0.404 0.000 0.920 419 A CA -0.826 51.087 52.037 -0.206 0.000 1.088 419 A CB 0.393 19.255 19.000 -0.230 0.000 1.233 419 A HN 0.201 nan 8.150 nan 0.000 0.503 420 P HA -0.258 nan 4.420 nan 0.000 0.216 420 P C 1.357 178.576 177.300 -0.134 0.000 1.154 420 P CA 1.764 64.804 63.100 -0.099 0.000 0.865 420 P CB -0.279 31.421 31.700 -0.001 0.000 0.789 421 H N -1.225 117.823 119.070 -0.037 0.000 2.566 421 H HA -0.015 4.896 4.556 0.592 0.000 0.285 421 H C 1.481 176.761 175.328 -0.080 0.000 1.041 421 H CA 0.694 56.715 56.048 -0.045 0.000 1.207 421 H CB -1.043 28.707 29.762 -0.020 0.000 1.353 421 H HN 0.238 nan 8.280 nan 0.000 0.604 422 L N 0.291 121.243 121.223 -0.452 0.000 2.463 422 L HA -0.005 4.754 4.340 0.698 0.000 0.219 422 L C 2.005 178.623 176.870 -0.421 0.000 1.088 422 L CA -0.037 54.549 54.840 -0.424 0.000 0.849 422 L CB -0.081 41.659 42.059 -0.532 0.000 1.012 422 L HN 0.137 nan 8.230 nan 0.000 0.468 423 N N 0.387 118.897 118.700 -0.317 0.000 2.091 423 N HA -0.212 4.947 4.740 0.698 0.000 0.193 423 N C 1.855 177.227 175.510 -0.229 0.000 1.021 423 N CA 1.931 54.821 53.050 -0.268 0.000 0.862 423 N CB -0.343 38.041 38.487 -0.172 0.000 1.018 423 N HN 0.353 nan 8.380 nan 0.000 0.429 424 S N 0.666 116.264 115.700 -0.170 0.000 2.488 424 S HA -0.031 4.858 4.470 0.698 0.000 0.246 424 S C 1.569 176.085 174.600 -0.140 0.000 0.992 424 S CA 0.639 58.766 58.200 -0.122 0.000 0.963 424 S CB -0.105 63.048 63.200 -0.078 0.000 0.754 424 S HN 0.266 nan 8.310 nan 0.000 0.519 425 R N 0.527 120.889 120.500 -0.230 0.000 2.297 425 R HA 0.320 5.079 4.340 0.698 0.000 0.197 425 R C 0.150 176.323 176.300 -0.211 0.000 0.943 425 R CA 0.367 56.327 56.100 -0.233 0.000 1.038 425 R CB -0.058 30.004 30.300 -0.396 0.000 0.957 425 R HN 0.501 nan 8.270 nan 0.000 0.484 426 I N 1.139 121.573 120.570 -0.227 0.000 2.620 426 I HA 0.156 4.745 4.170 0.698 0.000 0.280 426 I C 0.582 176.642 176.117 -0.095 0.000 1.143 426 I CA -0.171 61.039 61.300 -0.150 0.000 1.163 426 I CB 1.124 39.009 38.000 -0.193 0.000 1.461 426 I HN -0.142 nan 8.210 nan 0.000 0.530 427 K N 1.818 122.181 120.400 -0.062 0.000 2.107 427 K HA 0.068 4.807 4.320 0.698 0.000 0.211 427 K C 0.436 177.019 176.600 -0.028 0.000 1.024 427 K CA 0.537 56.798 56.287 -0.044 0.000 0.953 427 K CB 0.116 32.596 32.500 -0.034 0.000 0.831 427 K HN 0.526 nan 8.250 nan 0.000 0.454 428 D N -0.377 120.013 120.400 -0.016 0.000 2.539 428 D HA 0.027 5.086 4.640 0.698 0.000 0.280 428 D C 1.012 177.311 176.300 -0.002 0.000 1.208 428 D CA -0.490 53.506 54.000 -0.007 0.000 1.088 428 D CB 0.141 40.940 40.800 -0.001 0.000 1.149 428 D HN -0.162 nan 8.370 nan 0.000 0.596 429 M N -0.207 119.396 119.600 0.005 0.000 2.066 429 M HA 0.057 4.956 4.480 0.698 0.000 0.259 429 M C -1.398 174.912 176.300 0.015 0.000 1.074 429 M CA 1.446 56.752 55.300 0.010 0.000 1.114 429 M CB -1.625 30.984 32.600 0.015 0.000 1.306 429 M HN 0.266 nan 8.290 nan 0.000 0.411 430 P HA -0.200 nan 4.420 nan 0.000 0.216 430 P C 1.661 178.981 177.300 0.033 0.000 1.167 430 P CA 2.782 65.899 63.100 0.028 0.000 0.914 430 P CB -0.503 31.213 31.700 0.026 0.000 0.793 431 S N -0.575 115.141 115.700 0.027 0.000 2.392 431 S HA -0.280 4.609 4.470 0.698 0.000 0.232 431 S C 2.062 176.699 174.600 0.062 0.000 1.041 431 S CA 1.716 59.938 58.200 0.035 0.000 1.026 431 S CB -1.603 61.602 63.200 0.008 0.000 0.845 431 S HN 0.186 nan 8.310 nan 0.000 0.465 432 A N 0.966 123.809 122.820 0.039 0.000 1.855 432 A HA -0.026 4.713 4.320 0.698 0.000 0.215 432 A C 2.590 180.190 177.584 0.026 0.000 1.191 432 A CA 1.391 53.455 52.037 0.046 0.000 0.613 432 A CB -1.535 17.467 19.000 0.003 0.000 0.829 432 A HN 0.728 nan 8.150 nan 0.000 0.442 433 C N -0.698 118.607 119.300 0.008 0.000 2.413 433 C HA -0.120 4.758 4.460 0.698 0.000 0.276 433 C C 2.859 177.850 174.990 0.002 0.000 1.236 433 C CA 1.129 60.141 59.018 -0.011 0.000 1.735 433 C CB -1.428 26.328 27.740 0.028 0.000 2.031 433 C HN 0.584 nan 8.230 nan 0.000 0.474 434 R N -0.205 120.324 120.500 0.049 0.000 2.083 434 R HA -0.168 4.591 4.340 0.698 0.000 0.237 434 R C 2.138 178.483 176.300 0.075 0.000 1.137 434 R CA 1.906 58.050 56.100 0.073 0.000 0.951 434 R CB -0.712 29.640 30.300 0.087 0.000 0.851 434 R HN 0.585 nan 8.270 nan 0.000 0.434 435 F N 1.582 121.507 119.950 -0.042 0.000 2.113 435 F HA -0.167 4.764 4.527 0.673 0.000 0.297 435 F C 2.053 177.798 175.800 -0.090 0.000 1.103 435 F CA 1.134 59.099 58.000 -0.058 0.000 1.248 435 F CB -0.510 38.433 39.000 -0.095 0.000 0.999 435 F HN -0.080 nan 8.300 nan 0.000 0.475 436 L N 0.906 121.886 121.223 -0.404 0.000 2.042 436 L HA -0.210 4.549 4.340 0.698 0.000 0.210 436 L C 2.241 178.765 176.870 -0.577 0.000 1.076 436 L CA 2.356 56.802 54.840 -0.658 0.000 0.749 436 L CB -1.371 40.294 42.059 -0.657 0.000 0.893 436 L HN 0.318 nan 8.230 nan 0.000 0.432 437 D N -1.282 118.945 120.400 -0.288 0.000 2.116 437 D HA -0.237 4.821 4.640 0.698 0.000 0.193 437 D C 2.115 178.428 176.300 0.022 0.000 0.998 437 D CA 1.614 55.605 54.000 -0.015 0.000 0.836 437 D CB 0.104 40.994 40.800 0.150 0.000 0.951 437 D HN 0.466 nan 8.370 nan 0.000 0.449 438 S N -1.288 114.374 115.700 -0.064 0.000 2.348 438 S HA -0.217 4.672 4.470 0.698 0.000 0.221 438 S C 2.062 176.586 174.600 -0.126 0.000 1.033 438 S CA 1.292 59.481 58.200 -0.018 0.000 1.010 438 S CB -0.786 62.426 63.200 0.019 0.000 0.891 438 S HN 0.494 nan 8.310 nan 0.000 0.442 439 Y N 0.372 120.375 120.300 -0.494 0.000 2.081 439 Y HA -0.252 4.709 4.550 0.686 0.000 0.280 439 Y C 2.084 177.876 175.900 -0.179 0.000 1.163 439 Y CA 2.279 60.101 58.100 -0.463 0.000 1.135 439 Y CB -0.398 37.601 38.460 -0.769 0.000 0.970 439 Y HN 0.375 nan 8.280 nan 0.000 0.498 440 W N 1.058 122.115 121.300 -0.404 0.000 2.342 440 W HA -0.190 4.886 4.660 0.694 0.000 0.297 440 W C 2.163 178.543 176.519 -0.233 0.000 1.213 440 W CA 1.449 58.532 57.345 -0.438 0.000 1.251 440 W CB -0.927 28.244 29.460 -0.482 0.000 1.136 440 W HN 0.351 nan 8.180 nan 0.000 0.526 441 Q N -0.475 119.336 119.800 0.019 0.000 2.482 441 Q HA 0.156 4.915 4.340 0.698 0.000 0.209 441 Q C 1.399 177.022 176.000 -0.628 0.000 0.961 441 Q CA 0.889 56.559 55.803 -0.222 0.000 0.945 441 Q CB -0.331 28.140 28.738 -0.445 0.000 1.012 441 Q HN 0.328 nan 8.270 nan 0.000 0.515 442 G N 1.324 109.755 108.800 -0.614 0.000 2.225 442 G HA2 -0.284 4.095 3.960 0.698 0.000 0.264 442 G HA3 -0.284 4.095 3.960 0.698 0.000 0.264 442 G C -0.072 174.492 174.900 -0.561 0.000 1.060 442 G CA 0.260 44.743 45.100 -1.028 0.000 0.833 442 G HN 0.656 nan 8.290 nan 0.000 0.498 443 H N -0.684 118.232 119.070 -0.256 0.000 2.542 443 H HA 0.227 5.199 4.556 0.692 0.000 0.283 443 H C 0.820 176.118 175.328 -0.050 0.000 1.059 443 H CA -0.220 55.751 56.048 -0.129 0.000 1.162 443 H CB 0.671 30.394 29.762 -0.065 0.000 1.539 443 H HN 0.391 nan 8.280 nan 0.000 0.543 444 E N 0.657 120.902 120.200 0.075 0.000 2.303 444 E HA 0.038 4.807 4.350 0.698 0.000 0.254 444 E C 0.755 177.400 176.600 0.075 0.000 0.979 444 E CA -0.311 56.160 56.400 0.119 0.000 0.843 444 E CB 1.011 30.822 29.700 0.185 0.000 1.245 444 E HN 0.504 nan 8.360 nan 0.000 0.413 445 E N -0.177 120.084 120.200 0.101 0.000 2.482 445 E HA 0.041 4.810 4.350 0.698 0.000 0.196 445 E C 0.756 177.347 176.600 -0.015 0.000 1.047 445 E CA 0.441 56.889 56.400 0.080 0.000 0.869 445 E CB -0.512 29.277 29.700 0.149 0.000 0.836 445 E HN 0.358 nan 8.360 nan 0.000 0.520 446 I N -1.331 119.201 120.570 -0.062 0.000 2.433 446 I HA 0.596 5.185 4.170 0.698 0.000 0.292 446 I C -0.449 175.581 176.117 -0.145 0.000 1.001 446 I CA -1.305 59.810 61.300 -0.308 0.000 1.119 446 I CB 1.665 39.498 38.000 -0.279 0.000 1.289 446 I HN -0.191 nan 8.210 nan 0.000 0.438 447 R N 3.889 124.107 120.500 -0.470 0.000 2.836 447 R HA 0.607 5.366 4.340 0.698 0.000 0.269 447 R C -1.307 174.722 176.300 -0.451 0.000 1.010 447 R CA -0.856 55.022 56.100 -0.370 0.000 0.930 447 R CB 2.526 32.675 30.300 -0.252 0.000 1.218 447 R HN 0.739 nan 8.270 nan 0.000 0.473 448 Q N 2.105 121.756 119.800 -0.248 0.000 2.377 448 Q HA 0.532 5.291 4.340 0.698 0.000 0.279 448 Q C -1.728 174.227 176.000 -0.075 0.000 1.049 448 Q CA -0.814 54.882 55.803 -0.178 0.000 0.825 448 Q CB 2.420 31.096 28.738 -0.103 0.000 1.401 448 Q HN 0.686 nan 8.270 nan 0.000 0.404 449 I N 0.306 120.797 120.570 -0.133 0.000 2.500 449 I HA 0.719 5.308 4.170 0.698 0.000 0.286 449 I C -0.827 175.097 176.117 -0.321 0.000 1.063 449 I CA -0.472 60.659 61.300 -0.282 0.000 1.062 449 I CB 1.928 39.535 38.000 -0.655 0.000 1.223 449 I HN 0.650 nan 8.210 nan 0.000 0.435 450 S N 4.176 120.002 115.700 0.209 0.000 2.705 450 S HA 0.856 5.744 4.470 0.698 0.000 0.280 450 S C -1.006 174.010 174.600 0.693 0.000 1.174 450 S CA -0.864 57.628 58.200 0.486 0.000 0.823 450 S CB 2.284 65.746 63.200 0.438 0.000 1.162 450 S HN 0.748 nan 8.310 nan 0.000 0.487 451 K N 0.467 121.173 120.400 0.509 0.000 2.690 451 K HA 0.661 5.400 4.320 0.698 0.000 0.264 451 K C 0.154 176.876 176.600 0.203 0.000 1.040 451 K CA 0.439 56.916 56.287 0.317 0.000 0.946 451 K CB 0.898 33.522 32.500 0.206 0.000 1.268 451 K HN 0.868 nan 8.250 nan 0.000 0.473 452 S N 1.921 117.703 115.700 0.136 0.000 4.110 452 S HA -0.306 4.583 4.470 0.698 0.000 0.573 452 S C 0.686 175.365 174.600 0.133 0.000 1.936 452 S CA 1.974 60.198 58.200 0.040 0.000 4.227 452 S CB -1.025 62.092 63.200 -0.139 0.000 0.327 452 S HN 0.941 nan 8.310 nan 0.000 0.532 453 D N 1.346 121.756 120.400 0.017 0.000 2.339 453 D HA 0.100 5.158 4.640 0.698 0.000 0.217 453 D C 0.017 176.501 176.300 0.307 0.000 1.050 453 D CA 0.231 54.359 54.000 0.212 0.000 0.856 453 D CB -0.226 40.669 40.800 0.159 0.000 0.922 453 D HN 0.360 nan 8.370 nan 0.000 0.518 454 D N 0.742 121.291 120.400 0.249 0.000 2.232 454 D HA 0.544 5.603 4.640 0.698 0.000 0.242 454 D C -0.856 175.692 176.300 0.414 0.000 1.093 454 D CA -0.332 53.834 54.000 0.277 0.000 0.845 454 D CB 1.498 42.396 40.800 0.163 0.000 1.124 454 D HN 0.262 nan 8.370 nan 0.000 0.467 455 A N 3.499 126.469 122.820 0.249 0.000 2.586 455 A HA 0.679 5.418 4.320 0.698 0.000 0.290 455 A C -1.415 176.047 177.584 -0.203 0.000 1.086 455 A CA -0.766 51.253 52.037 -0.030 0.000 0.665 455 A CB 1.453 20.356 19.000 -0.162 0.000 1.279 455 A HN 0.475 nan 8.150 nan 0.000 0.423 456 M N 1.914 121.305 119.600 -0.348 0.000 2.151 456 M HA 0.366 5.265 4.480 0.698 0.000 0.290 456 M C -1.451 174.784 176.300 -0.108 0.000 0.965 456 M CA -0.122 55.089 55.300 -0.147 0.000 0.930 456 M CB 1.365 33.922 32.600 -0.072 0.000 1.560 456 M HN 0.584 nan 8.290 nan 0.000 0.438 457 L N 2.710 123.803 121.223 -0.217 0.000 2.292 457 L HA 0.764 5.522 4.340 0.698 0.000 0.284 457 L C 0.629 177.065 176.870 -0.724 0.000 1.065 457 L CA -0.490 54.060 54.840 -0.484 0.000 0.806 457 L CB 1.226 43.056 42.059 -0.383 0.000 1.175 457 L HN 0.779 nan 8.230 nan 0.000 0.431 458 G N 2.492 110.401 108.800 -1.484 0.000 2.533 458 G HA2 0.604 4.983 3.960 0.698 0.000 0.304 458 G HA3 0.604 4.983 3.960 0.698 0.000 0.304 458 G C -1.904 172.219 174.900 -1.294 0.000 1.263 458 G CA -0.387 43.715 45.100 -1.663 0.000 0.964 458 G HN 0.481 nan 8.290 nan 0.000 0.479 459 W N 1.079 122.081 121.300 -0.497 0.000 2.883 459 W HA 0.450 5.174 4.660 0.107 0.000 0.335 459 W C 0.194 176.650 176.519 -0.106 0.000 1.083 459 W CA -0.616 56.591 57.345 -0.230 0.000 1.233 459 W CB 2.441 31.831 29.460 -0.116 0.000 1.412 459 W HN 0.783 nan 8.180 nan 0.000 0.490 460 T N -0.372 114.268 114.554 0.144 0.000 2.936 460 T HA 0.376 5.145 4.350 0.698 0.000 0.282 460 T C 0.224 175.032 174.700 0.181 0.000 1.003 460 T CA -0.874 61.327 62.100 0.168 0.000 1.005 460 T CB 1.559 70.506 68.868 0.132 0.000 1.097 460 T HN 0.073 nan 8.240 nan 0.000 0.532 461 K N 1.297 121.790 120.400 0.155 0.000 2.466 461 K HA 0.467 5.206 4.320 0.698 0.000 0.278 461 K C 0.612 177.280 176.600 0.113 0.000 1.048 461 K CA 0.651 57.014 56.287 0.126 0.000 1.088 461 K CB 0.010 32.569 32.500 0.099 0.000 0.884 461 K HN 1.021 nan 8.250 nan 0.000 0.478 462 G N 1.759 110.624 108.800 0.108 0.000 2.325 462 G HA2 0.048 4.427 3.960 0.698 0.000 0.295 462 G HA3 0.048 4.427 3.960 0.698 0.000 0.295 462 G C 0.382 175.324 174.900 0.070 0.000 1.274 462 G CA -0.817 44.335 45.100 0.088 0.000 0.857 462 G HN 0.406 nan 8.290 nan 0.000 0.499 463 R N -0.207 120.304 120.500 0.018 0.000 2.075 463 R HA -0.042 4.716 4.340 0.698 0.000 0.230 463 R C 2.980 179.338 176.300 0.097 0.000 1.140 463 R CA 1.840 57.910 56.100 -0.049 0.000 0.928 463 R CB -0.929 29.133 30.300 -0.397 0.000 0.834 463 R HN 0.639 nan 8.270 nan 0.000 0.429 464 A N 2.250 125.238 122.820 0.280 0.000 1.958 464 A HA -0.202 4.537 4.320 0.698 0.000 0.221 464 A C 2.172 179.860 177.584 0.173 0.000 1.178 464 A CA 1.286 53.537 52.037 0.358 0.000 0.642 464 A CB -0.670 18.654 19.000 0.539 0.000 0.816 464 A HN 0.241 nan 8.150 nan 0.000 0.453 465 L N -0.086 121.247 121.223 0.183 0.000 2.103 465 L HA -0.192 4.567 4.340 0.698 0.000 0.215 465 L C 2.568 179.440 176.870 0.004 0.000 1.080 465 L CA 2.553 57.437 54.840 0.073 0.000 0.764 465 L CB -1.171 40.980 42.059 0.152 0.000 0.890 465 L HN 0.354 nan 8.230 nan 0.000 0.435 466 V N -0.439 119.490 119.914 0.026 0.000 2.453 466 V HA -0.062 4.477 4.120 0.698 0.000 0.247 466 V C 2.456 178.529 176.094 -0.036 0.000 1.048 466 V CA 1.598 63.907 62.300 0.016 0.000 1.049 466 V CB -0.433 31.388 31.823 -0.003 0.000 0.672 466 V HN 0.513 nan 8.190 nan 0.000 0.457 467 G N -0.129 108.635 108.800 -0.060 0.000 2.421 467 G HA2 -0.147 4.232 3.960 0.698 0.000 0.216 467 G HA3 -0.147 4.232 3.960 0.698 0.000 0.216 467 G C 1.606 176.350 174.900 -0.260 0.000 1.171 467 G CA 0.876 45.933 45.100 -0.071 0.000 0.775 467 G HN 0.714 nan 8.290 nan 0.000 0.543 468 G N 0.307 108.701 108.800 -0.678 0.000 2.599 468 G HA2 -0.342 4.037 3.960 0.698 0.000 0.219 468 G HA3 -0.342 4.037 3.960 0.698 0.000 0.219 468 G C 1.616 176.041 174.900 -0.792 0.000 1.193 468 G CA 1.253 45.450 45.100 -1.506 0.000 0.778 468 G HN 0.524 nan 8.290 nan 0.000 0.589 469 H N 0.350 119.138 119.070 -0.469 0.000 2.426 469 H HA -0.038 4.932 4.556 0.690 0.000 0.298 469 H C 2.852 178.074 175.328 -0.178 0.000 1.107 469 H CA 1.404 57.300 56.048 -0.254 0.000 1.298 469 H CB 0.039 29.683 29.762 -0.197 0.000 1.377 469 H HN 0.295 nan 8.280 nan 0.000 0.519 470 R N 0.070 120.544 120.500 -0.043 0.000 2.066 470 R HA -0.104 4.655 4.340 0.698 0.000 0.232 470 R C 2.417 178.724 176.300 0.013 0.000 1.131 470 R CA 0.609 56.704 56.100 -0.008 0.000 0.955 470 R CB -0.465 29.839 30.300 0.007 0.000 0.851 470 R HN 0.143 nan 8.270 nan 0.000 0.432 471 L N 0.671 121.879 121.223 -0.024 0.000 1.990 471 L HA -0.220 4.539 4.340 0.698 0.000 0.213 471 L C 2.107 179.017 176.870 0.067 0.000 1.072 471 L CA 1.760 56.607 54.840 0.010 0.000 0.755 471 L CB -0.977 41.043 42.059 -0.065 0.000 0.889 471 L HN 0.059 nan 8.230 nan 0.000 0.432 472 F N 0.823 120.651 119.950 -0.203 0.000 2.120 472 F HA -0.264 4.676 4.527 0.688 0.000 0.300 472 F C 2.556 178.262 175.800 -0.156 0.000 1.095 472 F CA 2.037 59.913 58.000 -0.207 0.000 1.249 472 F CB -0.736 38.043 39.000 -0.368 0.000 0.995 472 F HN 0.342 nan 8.300 nan 0.000 0.480 473 E N 0.063 120.283 120.200 0.034 0.000 2.110 473 E HA -0.251 4.518 4.350 0.698 0.000 0.193 473 E C 2.392 179.039 176.600 0.078 0.000 0.988 473 E CA 1.547 57.947 56.400 0.000 0.000 0.804 473 E CB -0.535 29.159 29.700 -0.010 0.000 0.745 473 E HN 0.518 nan 8.360 nan 0.000 0.458 474 M N -0.522 119.138 119.600 0.100 0.000 2.175 474 M HA -0.120 4.779 4.480 0.698 0.000 0.264 474 M C 1.621 178.008 176.300 0.145 0.000 1.063 474 M CA 1.335 56.705 55.300 0.116 0.000 1.119 474 M CB 0.012 32.691 32.600 0.131 0.000 1.377 474 M HN 0.183 nan 8.290 nan 0.000 0.415 475 L N -0.147 121.186 121.223 0.183 0.000 2.156 475 L HA -0.162 4.597 4.340 0.698 0.000 0.208 475 L C 2.553 179.600 176.870 0.295 0.000 1.095 475 L CA 1.031 56.026 54.840 0.258 0.000 0.770 475 L CB -0.664 41.574 42.059 0.297 0.000 0.914 475 L HN 0.355 nan 8.230 nan 0.000 0.439 476 K N 0.680 121.164 120.400 0.141 0.000 1.991 476 K HA -0.154 4.585 4.320 0.698 0.000 0.207 476 K C 1.909 178.576 176.600 0.112 0.000 1.045 476 K CA 1.276 57.550 56.287 -0.021 0.000 0.937 476 K CB 0.027 32.511 32.500 -0.027 0.000 0.720 476 K HN 0.250 nan 8.250 nan 0.000 0.438 477 E N -0.162 120.096 120.200 0.097 0.000 2.160 477 E HA -0.120 4.649 4.350 0.698 0.000 0.195 477 E C 0.663 177.337 176.600 0.123 0.000 0.991 477 E CA 0.651 57.105 56.400 0.089 0.000 0.810 477 E CB -0.313 29.428 29.700 0.068 0.000 0.742 477 E HN 0.615 nan 8.360 nan 0.000 0.466 478 G N 1.807 110.700 108.800 0.155 0.000 2.385 478 G HA2 -0.328 4.050 3.960 0.698 0.000 0.284 478 G HA3 -0.328 4.050 3.960 0.698 0.000 0.284 478 G C 0.525 175.497 174.900 0.121 0.000 0.899 478 G CA 0.980 46.180 45.100 0.167 0.000 1.204 478 G HN 0.219 nan 8.290 nan 0.000 0.486 479 K N -1.454 119.004 120.400 0.097 0.000 2.367 479 K HA 0.279 5.018 4.320 0.698 0.000 0.195 479 K C 0.523 177.166 176.600 0.071 0.000 1.060 479 K CA 0.228 56.560 56.287 0.075 0.000 1.022 479 K CB 0.864 33.401 32.500 0.061 0.000 0.894 479 K HN 0.296 nan 8.250 nan 0.000 0.540 480 V N 1.939 121.903 119.914 0.083 0.000 2.588 480 V HA 0.144 4.682 4.120 0.698 0.000 0.304 480 V C -0.830 175.319 176.094 0.091 0.000 1.042 480 V CA -1.214 61.135 62.300 0.081 0.000 0.877 480 V CB 1.644 33.517 31.823 0.084 0.000 0.996 480 V HN 0.158 nan 8.190 nan 0.000 0.425 481 N N 6.564 125.309 118.700 0.074 0.000 2.411 481 N HA 0.307 5.465 4.740 0.698 0.000 0.259 481 N C -1.061 174.498 175.510 0.082 0.000 1.103 481 N CA -1.539 51.552 53.050 0.067 0.000 0.954 481 N CB 1.422 39.930 38.487 0.035 0.000 1.085 481 N HN 0.397 nan 8.380 nan 0.000 0.485 482 P HA -0.026 nan 4.420 nan 0.000 0.239 482 P C -0.445 176.895 177.300 0.066 0.000 1.184 482 P CA 0.430 63.560 63.100 0.049 0.000 0.760 482 P CB 0.384 31.985 31.700 -0.166 0.000 0.884 483 S N 0.611 116.338 115.700 0.044 0.000 2.542 483 S HA 0.503 5.392 4.470 0.698 0.000 0.293 483 S C -2.172 172.380 174.600 -0.080 0.000 1.089 483 S CA -1.768 56.439 58.200 0.010 0.000 0.961 483 S CB 1.886 65.120 63.200 0.056 0.000 1.062 483 S HN -0.130 nan 8.310 nan 0.000 0.483 484 P HA 0.131 nan 4.420 nan 0.000 0.245 484 P C 0.133 177.207 177.300 -0.377 0.000 1.203 484 P CA 0.429 63.296 63.100 -0.388 0.000 0.792 484 P CB 0.105 31.451 31.700 -0.590 0.000 0.997 485 Y N -0.908 119.453 120.300 0.102 0.000 2.396 485 Y HA 0.293 5.259 4.550 0.694 0.000 0.292 485 Y C 1.680 177.583 175.900 0.005 0.000 1.128 485 Y CA 0.463 58.637 58.100 0.123 0.000 1.194 485 Y CB -0.099 38.481 38.460 0.201 0.000 1.124 485 Y HN -0.165 nan 8.280 nan 0.000 0.543 486 M N -0.320 119.335 119.600 0.091 0.000 2.631 486 M HA 0.313 5.212 4.480 0.698 0.000 0.288 486 M C -0.981 175.253 176.300 -0.110 0.000 1.260 486 M CA -0.956 54.297 55.300 -0.080 0.000 0.842 486 M CB 2.068 34.646 32.600 -0.037 0.000 1.743 486 M HN -0.176 nan 8.290 nan 0.000 0.461 487 K N 1.755 122.021 120.400 -0.223 0.000 2.267 487 K HA 0.534 5.272 4.320 0.698 0.000 0.282 487 K C -0.696 175.893 176.600 -0.018 0.000 1.078 487 K CA -0.337 55.875 56.287 -0.125 0.000 0.903 487 K CB 0.722 33.112 32.500 -0.184 0.000 1.111 487 K HN 0.369 nan 8.250 nan 0.000 0.475 488 I N 1.329 121.929 120.570 0.050 0.000 2.822 488 I HA 0.391 4.980 4.170 0.698 0.000 0.312 488 I C 0.594 176.788 176.117 0.128 0.000 1.011 488 I CA -0.569 60.806 61.300 0.125 0.000 1.105 488 I CB 1.357 39.466 38.000 0.181 0.000 1.291 488 I HN 0.705 nan 8.210 nan 0.000 0.474 489 S N 2.049 117.843 115.700 0.157 0.000 2.627 489 S HA 0.452 5.341 4.470 0.698 0.000 0.268 489 S C -1.145 173.575 174.600 0.199 0.000 1.130 489 S CA -0.948 57.360 58.200 0.179 0.000 0.819 489 S CB 1.046 64.321 63.200 0.126 0.000 1.100 489 S HN 0.551 nan 8.310 nan 0.000 0.465 490 Y N 0.733 121.122 120.300 0.148 0.000 2.346 490 Y HA 0.643 5.611 4.550 0.697 0.000 0.330 490 Y C 0.223 176.230 175.900 0.178 0.000 1.178 490 Y CA -0.608 57.580 58.100 0.148 0.000 1.331 490 Y CB 0.541 39.134 38.460 0.222 0.000 1.253 490 Y HN 0.896 nan 8.280 nan 0.000 0.529 491 E N 3.338 123.567 120.200 0.049 0.000 2.105 491 E HA 0.037 4.805 4.350 0.698 0.000 0.285 491 E C -1.129 175.499 176.600 0.047 0.000 1.055 491 E CA -0.691 55.705 56.400 -0.005 0.000 0.843 491 E CB 0.081 29.835 29.700 0.090 0.000 1.067 491 E HN 0.840 nan 8.360 nan 0.000 0.398 492 H N 3.582 122.539 119.070 -0.188 0.000 3.138 492 H HA 0.165 5.140 4.556 0.697 0.000 0.275 492 H C 0.486 175.886 175.328 0.121 0.000 0.997 492 H CA 1.671 57.737 56.048 0.030 0.000 1.460 492 H CB 0.229 29.982 29.762 -0.016 0.000 1.524 492 H HN 0.808 nan 8.280 nan 0.000 0.532 493 G N 3.757 112.560 108.800 0.005 0.000 2.546 493 G HA2 -0.149 4.230 3.960 0.698 0.000 0.285 493 G HA3 -0.149 4.230 3.960 0.698 0.000 0.285 493 G C 0.554 175.527 174.900 0.121 0.000 1.105 493 G CA -0.121 45.010 45.100 0.051 0.000 1.189 493 G HN 0.977 nan 8.290 nan 0.000 0.534 494 G N -0.260 108.650 108.800 0.184 0.000 2.398 494 G HA2 0.771 5.150 3.960 0.698 0.000 0.246 494 G HA3 0.771 5.150 3.960 0.698 0.000 0.246 494 G C 0.370 175.382 174.900 0.187 0.000 1.289 494 G CA 0.661 45.875 45.100 0.191 0.000 0.869 494 G HN 2.001 nan 8.290 nan 0.000 0.543 495 A N 1.399 124.332 122.820 0.189 0.000 2.606 495 A HA 0.710 5.449 4.320 0.698 0.000 0.293 495 A C -1.730 175.988 177.584 0.223 0.000 1.082 495 A CA -0.658 51.507 52.037 0.214 0.000 0.685 495 A CB 1.667 20.746 19.000 0.132 0.000 1.284 495 A HN 1.219 nan 8.150 nan 0.000 0.408 496 F N 1.799 121.723 119.950 -0.044 0.000 2.507 496 F HA 0.591 5.543 4.527 0.708 0.000 0.328 496 F C 0.155 175.800 175.800 -0.257 0.000 1.136 496 F CA -0.922 56.987 58.000 -0.151 0.000 0.930 496 F CB 1.465 40.353 39.000 -0.186 0.000 1.166 496 F HN 0.675 nan 8.300 nan 0.000 0.436 497 L N 6.235 126.983 121.223 -0.791 0.000 3.678 497 L HA -0.123 4.636 4.340 0.698 0.000 0.425 497 L C 0.931 177.535 176.870 -0.444 0.000 1.240 497 L CA 1.541 55.934 54.840 -0.745 0.000 0.876 497 L CB -1.066 40.285 42.059 -1.179 0.000 1.766 497 L HN 1.379 nan 8.230 nan 0.000 0.917 498 G N -2.131 106.516 108.800 -0.256 0.000 2.217 498 G HA2 -0.228 4.151 3.960 0.698 0.000 0.246 498 G HA3 -0.228 4.151 3.960 0.698 0.000 0.246 498 G C 0.081 174.910 174.900 -0.118 0.000 0.990 498 G CA 0.192 45.201 45.100 -0.152 0.000 0.627 498 G HN 0.544 nan 8.290 nan 0.000 0.522 499 D N 0.358 120.642 120.400 -0.193 0.000 2.185 499 D HA 0.583 5.642 4.640 0.698 0.000 0.247 499 D C 0.314 176.627 176.300 0.021 0.000 1.027 499 D CA -0.383 53.541 54.000 -0.126 0.000 0.861 499 D CB 1.821 42.446 40.800 -0.292 0.000 1.202 499 D HN 0.241 nan 8.370 nan 0.000 0.453 500 I N 1.688 122.349 120.570 0.152 0.000 2.396 500 I HA 0.045 4.634 4.170 0.698 0.000 0.292 500 I C -0.033 176.283 176.117 0.332 0.000 0.999 500 I CA -0.845 60.581 61.300 0.210 0.000 1.310 500 I CB 1.244 39.320 38.000 0.127 0.000 1.404 500 I HN 0.056 nan 8.210 nan 0.000 0.496 501 L N 8.263 129.639 121.223 0.254 0.000 2.342 501 L HA 0.236 4.994 4.340 0.698 0.000 0.285 501 L C -0.612 176.085 176.870 -0.288 0.000 1.095 501 L CA -0.177 54.560 54.840 -0.173 0.000 0.843 501 L CB 0.521 42.389 42.059 -0.319 0.000 1.201 501 L HN 0.392 nan 8.230 nan 0.000 0.445 502 L N 7.000 128.063 121.223 -0.267 0.000 2.315 502 L HA 0.384 5.143 4.340 0.698 0.000 0.278 502 L C -0.662 176.120 176.870 -0.147 0.000 1.088 502 L CA -0.081 54.680 54.840 -0.132 0.000 0.899 502 L CB -0.376 41.672 42.059 -0.017 0.000 1.277 502 L HN 0.461 nan 8.230 nan 0.000 0.431 503 Y N 2.390 122.736 120.300 0.076 0.000 2.240 503 Y HA 0.326 5.293 4.550 0.695 0.000 0.341 503 Y C 1.026 176.997 175.900 0.119 0.000 1.326 503 Y CA -0.216 57.930 58.100 0.077 0.000 1.569 503 Y CB 0.469 38.992 38.460 0.105 0.000 1.426 503 Y HN 0.655 nan 8.280 nan 0.000 0.587 504 D N -2.038 118.529 120.400 0.278 0.000 2.712 504 D HA 0.149 5.207 4.640 0.698 0.000 0.252 504 D C 0.774 177.149 176.300 0.125 0.000 1.123 504 D CA -0.024 54.088 54.000 0.186 0.000 1.109 504 D CB 0.556 41.431 40.800 0.125 0.000 1.313 504 D HN 0.462 nan 8.370 nan 0.000 0.629 505 S N -0.437 115.302 115.700 0.065 0.000 2.402 505 S HA -0.225 4.664 4.470 0.698 0.000 0.233 505 S C 1.841 176.441 174.600 0.001 0.000 1.030 505 S CA 0.937 59.137 58.200 0.000 0.000 1.003 505 S CB -0.487 62.715 63.200 0.003 0.000 0.813 505 S HN 0.438 nan 8.310 nan 0.000 0.477 506 R N 0.692 121.214 120.500 0.036 0.000 2.092 506 R HA 0.104 4.863 4.340 0.698 0.000 0.231 506 R C 0.100 176.413 176.300 0.022 0.000 1.119 506 R CA 0.775 56.895 56.100 0.034 0.000 0.970 506 R CB -0.054 30.280 30.300 0.056 0.000 0.864 506 R HN 0.177 nan 8.270 nan 0.000 0.440 507 R N 0.972 121.498 120.500 0.043 0.000 3.322 507 R HA -0.132 4.627 4.340 0.698 0.000 0.266 507 R C -1.392 174.841 176.300 -0.111 0.000 1.072 507 R CA 1.004 57.052 56.100 -0.085 0.000 0.715 507 R CB -2.442 27.771 30.300 -0.145 0.000 1.199 507 R HN 0.557 nan 8.270 nan 0.000 0.421 508 E N -0.999 119.276 120.200 0.126 0.000 2.314 508 E HA 0.321 5.090 4.350 0.698 0.000 0.272 508 E C -2.233 174.562 176.600 0.326 0.000 0.884 508 E CA -2.372 54.133 56.400 0.176 0.000 0.753 508 E CB 1.703 31.482 29.700 0.131 0.000 1.213 508 E HN -0.287 nan 8.360 nan 0.000 0.432 509 P HA -0.197 nan 4.420 nan 0.000 0.222 509 P C 1.090 178.438 177.300 0.080 0.000 1.142 509 P CA 1.444 64.680 63.100 0.227 0.000 0.788 509 P CB 0.172 32.043 31.700 0.285 0.000 0.767 510 G N -0.151 108.716 108.800 0.112 0.000 2.454 510 G HA2 -0.175 4.204 3.960 0.698 0.000 0.214 510 G HA3 -0.175 4.204 3.960 0.698 0.000 0.214 510 G C 1.315 176.235 174.900 0.032 0.000 1.217 510 G CA 0.924 46.062 45.100 0.062 0.000 0.799 510 G HN 0.390 nan 8.290 nan 0.000 0.538 511 S N 0.207 115.943 115.700 0.061 0.000 2.660 511 S HA 0.664 5.553 4.470 0.698 0.000 0.227 511 S C 0.741 175.358 174.600 0.028 0.000 0.948 511 S CA 0.211 58.437 58.200 0.044 0.000 0.948 511 S CB 0.200 63.437 63.200 0.063 0.000 0.779 511 S HN 0.577 nan 8.310 nan 0.000 0.487 512 A N 1.500 124.312 122.820 -0.013 0.000 2.282 512 A HA 0.788 5.527 4.320 0.698 0.000 0.319 512 A C -0.148 177.292 177.584 -0.239 0.000 1.121 512 A CA -0.909 51.046 52.037 -0.136 0.000 0.836 512 A CB 0.250 19.064 19.000 -0.309 0.000 1.146 512 A HN 0.620 nan 8.150 nan 0.000 0.494 513 I N -2.573 117.841 120.570 -0.259 0.000 3.042 513 I HA 0.680 5.269 4.170 0.698 0.000 0.310 513 I C -0.878 175.088 176.117 -0.252 0.000 1.117 513 I CA -0.979 60.188 61.300 -0.222 0.000 1.003 513 I CB 1.404 39.363 38.000 -0.068 0.000 1.228 513 I HN 0.484 nan 8.210 nan 0.000 0.443 514 F N 2.690 122.590 119.950 -0.082 0.000 2.420 514 F HA 0.746 5.691 4.527 0.696 0.000 0.342 514 F C -0.104 175.674 175.800 -0.036 0.000 1.113 514 F CA -0.953 57.005 58.000 -0.069 0.000 1.059 514 F CB 2.043 41.001 39.000 -0.069 0.000 1.128 514 F HN 0.522 nan 8.300 nan 0.000 0.475 515 V N 1.278 121.331 119.914 0.232 0.000 2.808 515 V HA 0.771 5.310 4.120 0.698 0.000 0.308 515 V C -0.040 176.121 176.094 0.112 0.000 1.099 515 V CA -0.976 61.404 62.300 0.134 0.000 0.920 515 V CB 0.936 32.831 31.823 0.121 0.000 1.014 515 V HN 0.872 nan 8.190 nan 0.000 0.425 516 G N 2.510 111.349 108.800 0.065 0.000 2.460 516 G HA2 0.027 4.406 3.960 0.698 0.000 0.230 516 G HA3 0.027 4.406 3.960 0.698 0.000 0.230 516 G C 0.125 175.145 174.900 0.199 0.000 1.248 516 G CA 0.210 45.336 45.100 0.044 0.000 0.863 516 G HN 1.125 nan 8.290 nan 0.000 0.549 517 N N 1.359 120.187 118.700 0.213 0.000 2.430 517 N HA 0.043 5.202 4.740 0.698 0.000 0.265 517 N C 1.283 176.957 175.510 0.274 0.000 1.100 517 N CA -0.709 52.463 53.050 0.202 0.000 0.961 517 N CB 1.024 39.591 38.487 0.134 0.000 1.075 517 N HN 0.261 nan 8.380 nan 0.000 0.478 518 I N 4.141 124.820 120.570 0.182 0.000 2.226 518 I HA -0.198 4.391 4.170 0.698 0.000 0.245 518 I C 1.892 178.038 176.117 0.048 0.000 1.100 518 I CA 1.121 62.473 61.300 0.087 0.000 1.374 518 I CB -0.439 37.625 38.000 0.108 0.000 1.057 518 I HN 0.618 nan 8.210 nan 0.000 0.413 519 N N 0.035 118.786 118.700 0.086 0.000 2.104 519 N HA -0.166 4.993 4.740 0.698 0.000 0.190 519 N C 1.943 177.494 175.510 0.067 0.000 1.024 519 N CA 1.673 54.770 53.050 0.079 0.000 0.853 519 N CB -0.053 38.395 38.487 -0.065 0.000 1.008 519 N HN 0.351 nan 8.380 nan 0.000 0.424 520 S N 1.157 116.904 115.700 0.078 0.000 2.370 520 S HA -0.177 4.712 4.470 0.698 0.000 0.226 520 S C 1.943 176.557 174.600 0.023 0.000 1.033 520 S CA 1.203 59.474 58.200 0.118 0.000 1.011 520 S CB -0.186 63.158 63.200 0.241 0.000 0.852 520 S HN 0.424 nan 8.310 nan 0.000 0.457 521 M N 1.134 120.551 119.600 -0.306 0.000 2.059 521 M HA -0.102 4.797 4.480 0.698 0.000 0.259 521 M C 1.930 178.075 176.300 -0.258 0.000 1.072 521 M CA 1.551 56.401 55.300 -0.750 0.000 1.117 521 M CB -0.335 31.380 32.600 -1.475 0.000 1.320 521 M HN 0.245 nan 8.290 nan 0.000 0.408 522 L N 0.801 121.963 121.223 -0.102 0.000 1.971 522 L HA -0.330 4.429 4.340 0.698 0.000 0.215 522 L C 2.311 179.274 176.870 0.154 0.000 1.072 522 L CA 1.651 56.558 54.840 0.112 0.000 0.758 522 L CB -1.186 41.004 42.059 0.218 0.000 0.889 522 L HN 0.418 nan 8.230 nan 0.000 0.433 523 N N 0.241 119.027 118.700 0.143 0.000 2.094 523 N HA -0.219 4.940 4.740 0.698 0.000 0.191 523 N C 1.521 177.115 175.510 0.139 0.000 1.023 523 N CA 1.751 54.900 53.050 0.165 0.000 0.857 523 N CB -0.763 37.808 38.487 0.139 0.000 1.013 523 N HN 0.494 nan 8.380 nan 0.000 0.426 524 N N 0.630 119.385 118.700 0.092 0.000 2.120 524 N HA -0.114 5.044 4.740 0.698 0.000 0.188 524 N C 1.638 177.186 175.510 0.063 0.000 1.024 524 N CA 0.723 53.831 53.050 0.097 0.000 0.852 524 N CB -0.070 38.492 38.487 0.124 0.000 1.003 524 N HN 0.408 nan 8.380 nan 0.000 0.424 525 Q N -0.457 119.310 119.800 -0.055 0.000 2.187 525 Q HA 0.004 4.763 4.340 0.698 0.000 0.199 525 Q C 0.556 176.404 176.000 -0.255 0.000 0.957 525 Q CA 0.994 56.669 55.803 -0.213 0.000 0.857 525 Q CB 0.246 28.633 28.738 -0.585 0.000 0.929 525 Q HN 0.411 nan 8.270 nan 0.000 0.453 526 F N -1.842 118.367 119.950 0.431 0.000 2.688 526 F HA 0.286 5.232 4.527 0.698 0.000 0.310 526 F C 0.494 176.564 175.800 0.450 0.000 1.098 526 F CA -0.288 58.055 58.000 0.572 0.000 1.228 526 F CB 1.306 40.624 39.000 0.530 0.000 1.042 526 F HN -0.295 nan 8.300 nan 0.000 0.557 527 S N 0.303 116.233 115.700 0.383 0.000 2.569 527 S HA 0.276 5.165 4.470 0.698 0.000 0.215 527 S C -2.543 172.165 174.600 0.181 0.000 1.096 527 S CA -0.959 57.421 58.200 0.299 0.000 1.183 527 S CB 0.098 63.468 63.200 0.283 0.000 1.324 527 S HN -0.168 nan 8.310 nan 0.000 0.421 528 P HA 0.011 nan 4.420 nan 0.000 0.267 528 P C 0.684 178.025 177.300 0.068 0.000 1.195 528 P CA 0.244 63.391 63.100 0.078 0.000 0.773 528 P CB 0.533 32.233 31.700 -0.000 0.000 0.837 529 E N 0.578 120.827 120.200 0.082 0.000 2.230 529 E HA -0.066 4.703 4.350 0.698 0.000 0.192 529 E C -0.103 176.317 176.600 -0.300 0.000 0.987 529 E CA 1.164 57.510 56.400 -0.090 0.000 0.841 529 E CB -0.057 29.605 29.700 -0.063 0.000 0.783 529 E HN 0.518 nan 8.360 nan 0.000 0.481 530 Y N -0.361 119.931 120.300 -0.015 0.000 2.605 530 Y HA 0.523 5.491 4.550 0.698 0.000 0.343 530 Y C 0.823 176.689 175.900 -0.057 0.000 1.036 530 Y CA -1.117 56.962 58.100 -0.035 0.000 1.065 530 Y CB 0.945 39.384 38.460 -0.035 0.000 1.288 530 Y HN -0.180 nan 8.280 nan 0.000 0.481 531 G N -0.053 108.803 108.800 0.093 0.000 2.535 531 G HA2 0.377 4.756 3.960 0.698 0.000 0.282 531 G HA3 0.377 4.756 3.960 0.698 0.000 0.282 531 G C 0.641 175.532 174.900 -0.014 0.000 1.350 531 G CA -0.144 44.960 45.100 0.007 0.000 1.039 531 G HN 0.835 nan 8.290 nan 0.000 0.509 532 V N -3.272 116.612 119.914 -0.050 0.000 3.573 532 V HA 0.154 4.693 4.120 0.698 0.000 0.270 532 V C 0.900 176.955 176.094 -0.065 0.000 1.221 532 V CA 0.925 63.186 62.300 -0.064 0.000 1.163 532 V CB -1.421 30.370 31.823 -0.054 0.000 0.847 532 V HN 0.736 nan 8.190 nan 0.000 0.468 533 Q N 1.364 121.136 119.800 -0.046 0.000 2.431 533 Q HA -0.224 4.535 4.340 0.698 0.000 0.344 533 Q C 1.353 177.320 176.000 -0.055 0.000 1.384 533 Q CA 0.613 56.387 55.803 -0.049 0.000 0.984 533 Q CB -1.585 27.116 28.738 -0.062 0.000 1.204 533 Q HN 0.958 nan 8.270 nan 0.000 0.392 534 S N -2.191 113.484 115.700 -0.042 0.000 2.507 534 S HA -0.096 4.793 4.470 0.698 0.000 0.235 534 S C 1.793 176.375 174.600 -0.030 0.000 0.988 534 S CA 0.527 58.705 58.200 -0.037 0.000 0.944 534 S CB 0.142 63.330 63.200 -0.022 0.000 0.762 534 S HN 0.724 nan 8.310 nan 0.000 0.526 535 G N 1.812 110.594 108.800 -0.029 0.000 2.404 535 G HA2 -0.022 4.357 3.960 0.698 0.000 0.215 535 G HA3 -0.022 4.357 3.960 0.698 0.000 0.215 535 G C 0.512 175.398 174.900 -0.024 0.000 1.174 535 G CA 0.192 45.278 45.100 -0.023 0.000 0.780 535 G HN 0.446 nan 8.290 nan 0.000 0.537 536 V N 2.802 122.695 119.914 -0.034 0.000 2.434 536 V HA 0.045 4.583 4.120 0.698 0.000 0.281 536 V C 1.606 177.685 176.094 -0.024 0.000 1.005 536 V CA -0.294 61.985 62.300 -0.034 0.000 1.089 536 V CB 0.808 32.599 31.823 -0.053 0.000 0.978 536 V HN 0.252 nan 8.190 nan 0.000 0.474 537 R N 2.690 123.187 120.500 -0.004 0.000 2.080 537 R HA -0.074 4.685 4.340 0.698 0.000 0.236 537 R C 1.014 177.351 176.300 0.062 0.000 1.137 537 R CA 0.902 57.015 56.100 0.022 0.000 0.943 537 R CB -0.489 29.822 30.300 0.018 0.000 0.846 537 R HN 0.795 nan 8.270 nan 0.000 0.431 538 D N 1.331 121.767 120.400 0.061 0.000 2.344 538 D HA 0.008 5.067 4.640 0.698 0.000 0.253 538 D C 0.682 177.015 176.300 0.055 0.000 1.255 538 D CA 0.083 54.167 54.000 0.139 0.000 0.894 538 D CB 0.569 41.427 40.800 0.097 0.000 1.067 538 D HN 0.021 nan 8.370 nan 0.000 0.492 539 R N 1.569 122.075 120.500 0.010 0.000 2.152 539 R HA -0.107 4.652 4.340 0.698 0.000 0.232 539 R C 2.006 178.047 176.300 -0.432 0.000 1.117 539 R CA 1.235 57.089 56.100 -0.410 0.000 0.981 539 R CB -0.054 29.697 30.300 -0.914 0.000 0.870 539 R HN 0.437 nan 8.270 nan 0.000 0.451 540 S N 0.372 115.951 115.700 -0.202 0.000 2.555 540 S HA -0.005 4.883 4.470 0.698 0.000 0.230 540 S C 1.427 175.976 174.600 -0.085 0.000 0.978 540 S CA 0.599 58.734 58.200 -0.107 0.000 0.934 540 S CB 0.148 63.396 63.200 0.081 0.000 0.766 540 S HN 0.227 nan 8.310 nan 0.000 0.533 541 K N 0.413 120.763 120.400 -0.084 0.000 2.358 541 K HA 0.235 4.974 4.320 0.698 0.000 0.197 541 K C 0.437 176.967 176.600 -0.118 0.000 1.025 541 K CA -0.175 56.065 56.287 -0.078 0.000 1.104 541 K CB 0.389 32.863 32.500 -0.044 0.000 0.855 541 K HN 0.373 nan 8.250 nan 0.000 0.531 542 R N 0.746 121.147 120.500 -0.165 0.000 2.577 542 R HA 0.161 4.920 4.340 0.698 0.000 0.269 542 R C 1.032 177.204 176.300 -0.214 0.000 1.084 542 R CA -0.498 55.492 56.100 -0.183 0.000 1.163 542 R CB 0.476 30.645 30.300 -0.219 0.000 1.100 542 R HN -0.196 nan 8.270 nan 0.000 0.547 543 K N 1.497 121.752 120.400 -0.241 0.000 2.155 543 K HA -0.061 4.678 4.320 0.698 0.000 0.203 543 K C 0.437 176.889 176.600 -0.247 0.000 1.052 543 K CA 1.347 57.422 56.287 -0.352 0.000 0.948 543 K CB 0.115 32.245 32.500 -0.617 0.000 0.728 543 K HN 0.416 nan 8.250 nan 0.000 0.448 544 R N 0.561 120.945 120.500 -0.193 0.000 2.564 544 R HA 0.184 4.943 4.340 0.698 0.000 0.282 544 R C -2.174 173.977 176.300 -0.248 0.000 1.573 544 R CA -1.452 54.557 56.100 -0.151 0.000 1.588 544 R CB 1.059 31.307 30.300 -0.087 0.000 1.154 544 R HN -0.109 nan 8.270 nan 0.000 0.606 545 P HA -0.188 nan 4.420 nan 0.000 0.214 545 P C -0.251 176.385 177.300 -1.106 0.000 1.169 545 P CA 1.476 64.103 63.100 -0.788 0.000 0.908 545 P CB 0.217 31.506 31.700 -0.684 0.000 0.791 546 F N -3.738 116.144 119.950 -0.113 0.000 2.531 546 F HA 0.356 5.302 4.527 0.698 0.000 0.333 546 F C -1.822 173.962 175.800 -0.027 0.000 1.292 546 F CA -2.151 55.798 58.000 -0.085 0.000 1.184 546 F CB 0.854 39.792 39.000 -0.104 0.000 1.426 546 F HN -0.075 nan 8.300 nan 0.000 0.559 547 P HA -0.222 nan 4.420 nan 0.000 0.217 547 P C 1.989 179.391 177.300 0.169 0.000 1.158 547 P CA 2.117 65.297 63.100 0.134 0.000 0.887 547 P CB 0.235 32.017 31.700 0.137 0.000 0.792 548 G N -0.235 108.633 108.800 0.114 0.000 2.469 548 G HA2 -0.261 4.117 3.960 0.698 0.000 0.219 548 G HA3 -0.261 4.117 3.960 0.698 0.000 0.219 548 G C 1.431 176.387 174.900 0.094 0.000 1.150 548 G CA 0.791 45.918 45.100 0.044 0.000 0.763 548 G HN 0.241 nan 8.290 nan 0.000 0.561 549 L N 0.727 122.016 121.223 0.110 0.000 2.079 549 L HA -0.114 4.645 4.340 0.698 0.000 0.210 549 L C 3.366 180.307 176.870 0.119 0.000 1.081 549 L CA 1.031 55.925 54.840 0.089 0.000 0.752 549 L CB -0.804 41.283 42.059 0.047 0.000 0.896 549 L HN 0.291 nan 8.230 nan 0.000 0.433 550 A N -0.038 122.869 122.820 0.145 0.000 2.054 550 A HA -0.284 4.455 4.320 0.698 0.000 0.223 550 A C 2.165 179.858 177.584 0.182 0.000 1.169 550 A CA 1.795 53.927 52.037 0.158 0.000 0.655 550 A CB -1.113 18.002 19.000 0.191 0.000 0.812 550 A HN 0.760 nan 8.150 nan 0.000 0.462 551 W N 0.367 121.668 121.300 0.002 0.000 2.363 551 W HA -0.162 4.918 4.660 0.699 0.000 0.296 551 W C 2.291 178.811 176.519 0.002 0.000 1.212 551 W CA 1.704 59.035 57.345 -0.023 0.000 1.260 551 W CB -0.235 29.162 29.460 -0.106 0.000 1.131 551 W HN 0.457 nan 8.180 nan 0.000 0.530 552 A N 0.849 123.705 122.820 0.060 0.000 1.877 552 A HA -0.244 4.495 4.320 0.698 0.000 0.216 552 A C 1.957 179.490 177.584 -0.085 0.000 1.186 552 A CA 2.530 54.547 52.037 -0.034 0.000 0.620 552 A CB -1.329 17.676 19.000 0.008 0.000 0.822 552 A HN 0.336 nan 8.150 nan 0.000 0.443 553 S N -0.794 114.878 115.700 -0.047 0.000 2.607 553 S HA 0.029 4.917 4.470 0.698 0.000 0.224 553 S C 1.698 176.280 174.600 -0.029 0.000 0.969 553 S CA 0.932 59.102 58.200 -0.051 0.000 0.927 553 S CB -0.469 62.705 63.200 -0.044 0.000 0.772 553 S HN 0.589 nan 8.310 nan 0.000 0.533 554 M N 1.856 121.426 119.600 -0.049 0.000 2.059 554 M HA -0.125 4.774 4.480 0.698 0.000 0.259 554 M C 2.238 178.615 176.300 0.128 0.000 1.072 554 M CA 2.105 57.427 55.300 0.036 0.000 1.117 554 M CB -0.274 32.202 32.600 -0.207 0.000 1.320 554 M HN 0.308 nan 8.290 nan 0.000 0.408 555 K N 0.677 121.080 120.400 0.006 0.000 2.103 555 K HA -0.247 4.491 4.320 0.698 0.000 0.207 555 K C 1.791 178.396 176.600 0.009 0.000 1.048 555 K CA 2.233 58.548 56.287 0.046 0.000 0.930 555 K CB -0.569 31.869 32.500 -0.103 0.000 0.716 555 K HN 0.566 nan 8.250 nan 0.000 0.444 556 D N -0.757 119.625 120.400 -0.030 0.000 2.077 556 D HA -0.145 4.914 4.640 0.698 0.000 0.193 556 D C 1.479 177.748 176.300 -0.052 0.000 0.989 556 D CA 1.904 55.873 54.000 -0.051 0.000 0.831 556 D CB -0.267 40.491 40.800 -0.070 0.000 0.979 556 D HN 0.249 nan 8.370 nan 0.000 0.449 557 T N -0.677 113.819 114.554 -0.096 0.000 2.652 557 T HA -0.185 4.583 4.350 0.698 0.000 0.267 557 T C 1.547 176.045 174.700 -0.336 0.000 1.039 557 T CA 1.426 63.358 62.100 -0.280 0.000 1.153 557 T CB -0.431 68.142 68.868 -0.492 0.000 0.863 557 T HN 0.297 nan 8.240 nan 0.000 0.428 558 Y N 0.400 120.785 120.300 0.141 0.000 2.457 558 Y HA 0.348 5.317 4.550 0.698 0.000 0.263 558 Y C 2.343 178.488 175.900 0.410 0.000 1.164 558 Y CA -0.431 57.798 58.100 0.215 0.000 1.274 558 Y CB -0.501 38.028 38.460 0.115 0.000 1.097 558 Y HN 0.216 nan 8.280 nan 0.000 0.523 559 G N 1.169 110.156 108.800 0.313 0.000 2.631 559 G HA2 -0.406 3.972 3.960 0.698 0.000 0.219 559 G HA3 -0.406 3.972 3.960 0.698 0.000 0.219 559 G C 1.960 176.860 174.900 -0.000 0.000 1.214 559 G CA 1.361 46.417 45.100 -0.073 0.000 0.785 559 G HN 0.445 nan 8.290 nan 0.000 0.596 560 A N -0.785 122.061 122.820 0.044 0.000 2.148 560 A HA -0.064 4.675 4.320 0.698 0.000 0.222 560 A C 1.722 179.375 177.584 0.115 0.000 1.161 560 A CA 1.146 53.217 52.037 0.057 0.000 0.662 560 A CB -1.111 17.921 19.000 0.053 0.000 0.799 560 A HN 0.559 nan 8.150 nan 0.000 0.466 561 C N -0.314 119.111 119.300 0.207 0.000 2.657 561 C HA 0.287 5.166 4.460 0.698 0.000 0.420 561 C C -0.358 174.748 174.990 0.193 0.000 1.323 561 C CA -1.103 58.045 59.018 0.215 0.000 1.894 561 C CB 0.364 28.268 27.740 0.273 0.000 2.681 561 C HN 0.430 nan 8.230 nan 0.000 0.613 562 P HA -0.111 nan 4.420 nan 0.000 0.210 562 P C 1.044 178.452 177.300 0.179 0.000 1.189 562 P CA 1.740 64.928 63.100 0.147 0.000 0.920 562 P CB -0.128 31.652 31.700 0.134 0.000 0.782 563 I N -4.538 116.138 120.570 0.176 0.000 3.616 563 I HA -0.018 4.570 4.170 0.698 0.000 0.306 563 I C 1.828 178.011 176.117 0.109 0.000 1.232 563 I CA 0.170 61.562 61.300 0.153 0.000 1.182 563 I CB -0.952 37.064 38.000 0.027 0.000 1.007 563 I HN -0.123 nan 8.210 nan 0.000 0.479 564 Y N 3.273 123.592 120.300 0.032 0.000 1.978 564 Y HA -0.412 4.556 4.550 0.697 0.000 0.247 564 Y C 2.819 178.732 175.900 0.022 0.000 1.102 564 Y CA 2.313 60.428 58.100 0.025 0.000 1.069 564 Y CB -0.991 37.499 38.460 0.051 0.000 0.954 564 Y HN 0.515 nan 8.280 nan 0.000 0.488 565 S N 0.274 116.342 115.700 0.613 0.000 2.426 565 S HA -0.403 4.486 4.470 0.698 0.000 0.253 565 S C 1.622 176.364 174.600 0.237 0.000 1.104 565 S CA 2.111 60.542 58.200 0.386 0.000 1.158 565 S CB -1.477 61.849 63.200 0.210 0.000 1.043 565 S HN 0.682 nan 8.310 nan 0.000 0.443 566 D N 1.683 122.200 120.400 0.194 0.000 2.103 566 D HA -0.080 4.979 4.640 0.698 0.000 0.190 566 D C 2.125 178.469 176.300 0.073 0.000 0.997 566 D CA 1.499 55.608 54.000 0.181 0.000 0.833 566 D CB -0.827 40.140 40.800 0.277 0.000 0.961 566 D HN 0.343 nan 8.370 nan 0.000 0.447 567 V N 0.902 120.757 119.914 -0.099 0.000 2.250 567 V HA -0.269 4.269 4.120 0.698 0.000 0.250 567 V C 2.516 178.589 176.094 -0.035 0.000 1.060 567 V CA 1.404 63.597 62.300 -0.179 0.000 1.030 567 V CB -0.661 30.985 31.823 -0.295 0.000 0.643 567 V HN 0.308 nan 8.190 nan 0.000 0.445 568 L N -0.503 120.717 121.223 -0.006 0.000 2.189 568 L HA -0.245 4.513 4.340 0.698 0.000 0.214 568 L C 2.529 179.500 176.870 0.169 0.000 1.097 568 L CA 1.767 56.672 54.840 0.109 0.000 0.764 568 L CB -0.583 41.574 42.059 0.162 0.000 0.900 568 L HN 0.521 nan 8.230 nan 0.000 0.436 569 E N -0.332 119.953 120.200 0.141 0.000 2.060 569 E HA -0.080 4.689 4.350 0.698 0.000 0.189 569 E C 2.336 178.999 176.600 0.104 0.000 0.974 569 E CA 0.813 57.294 56.400 0.136 0.000 0.808 569 E CB -0.098 29.681 29.700 0.130 0.000 0.768 569 E HN 0.425 nan 8.360 nan 0.000 0.453 570 A N 1.586 124.456 122.820 0.082 0.000 1.927 570 A HA -0.249 4.490 4.320 0.698 0.000 0.220 570 A C 2.147 179.761 177.584 0.050 0.000 1.185 570 A CA 1.399 53.436 52.037 0.000 0.000 0.639 570 A CB -0.796 18.255 19.000 0.085 0.000 0.820 570 A HN 0.156 nan 8.150 nan 0.000 0.451 571 I N -1.315 119.329 120.570 0.124 0.000 2.072 571 I HA -0.252 4.337 4.170 0.698 0.000 0.235 571 I C 2.549 178.840 176.117 0.290 0.000 1.058 571 I CA 1.807 63.249 61.300 0.237 0.000 1.320 571 I CB -0.646 37.480 38.000 0.209 0.000 1.047 571 I HN 0.390 nan 8.210 nan 0.000 0.397 572 E N 1.297 121.655 120.200 0.262 0.000 2.149 572 E HA -0.320 4.448 4.350 0.698 0.000 0.215 572 E C 2.082 178.884 176.600 0.336 0.000 1.055 572 E CA 2.135 58.715 56.400 0.301 0.000 0.870 572 E CB -0.307 29.538 29.700 0.242 0.000 0.764 572 E HN 0.278 nan 8.360 nan 0.000 0.463 573 R N -0.527 120.108 120.500 0.226 0.000 2.107 573 R HA -0.138 4.621 4.340 0.698 0.000 0.223 573 R C 2.509 178.981 176.300 0.287 0.000 1.138 573 R CA 2.124 58.337 56.100 0.189 0.000 0.900 573 R CB -1.123 29.194 30.300 0.027 0.000 0.814 573 R HN 0.388 nan 8.270 nan 0.000 0.437 574 C N 0.244 119.682 119.300 0.229 0.000 2.397 574 C HA -0.202 4.677 4.460 0.698 0.000 0.279 574 C C 2.402 177.697 174.990 0.508 0.000 1.206 574 C CA 0.843 60.056 59.018 0.324 0.000 1.818 574 C CB -1.587 26.317 27.740 0.273 0.000 2.087 574 C HN 0.698 nan 8.230 nan 0.000 0.488 575 W N -0.672 120.765 121.300 0.229 0.000 2.413 575 W HA -0.120 4.959 4.660 0.698 0.000 0.315 575 W C 2.587 179.198 176.519 0.153 0.000 1.186 575 W CA 1.318 58.602 57.345 -0.102 0.000 1.326 575 W CB -1.144 28.111 29.460 -0.342 0.000 1.153 575 W HN 0.516 nan 8.180 nan 0.000 0.489 576 W N 2.484 123.986 121.300 0.337 0.000 2.325 576 W HA -0.288 4.791 4.660 0.698 0.000 0.299 576 W C 2.350 178.918 176.519 0.082 0.000 1.215 576 W CA 2.310 59.782 57.345 0.213 0.000 1.244 576 W CB -0.800 28.768 29.460 0.180 0.000 1.140 576 W HN -0.131 nan 8.180 nan 0.000 0.523 577 N N 0.203 119.158 118.700 0.426 0.000 2.104 577 N HA -0.169 4.990 4.740 0.698 0.000 0.190 577 N C 1.449 176.946 175.510 -0.023 0.000 1.024 577 N CA 2.063 55.272 53.050 0.265 0.000 0.853 577 N CB -0.501 38.108 38.487 0.204 0.000 1.008 577 N HN 0.228 nan 8.380 nan 0.000 0.424 578 A N -1.949 120.779 122.820 -0.153 0.000 2.348 578 A HA 0.279 5.018 4.320 0.698 0.000 0.224 578 A C 0.850 177.936 177.584 -0.830 0.000 1.227 578 A CA -0.132 51.640 52.037 -0.441 0.000 0.885 578 A CB 0.082 18.811 19.000 -0.451 0.000 0.933 578 A HN 0.230 nan 8.150 nan 0.000 0.506 579 F N -2.344 117.268 119.950 -0.564 0.000 2.834 579 F HA 0.357 5.303 4.527 0.698 0.000 0.332 579 F C 1.888 177.355 175.800 -0.554 0.000 1.056 579 F CA 0.518 58.159 58.000 -0.599 0.000 1.178 579 F CB 0.786 39.266 39.000 -0.866 0.000 1.037 579 F HN 0.309 nan 8.300 nan 0.000 0.580 580 G N 0.517 108.938 108.800 -0.630 0.000 2.347 580 G HA2 -0.286 4.092 3.960 0.698 0.000 0.247 580 G HA3 -0.286 4.092 3.960 0.698 0.000 0.247 580 G C 0.435 174.819 174.900 -0.860 0.000 1.037 580 G CA 0.379 44.908 45.100 -0.953 0.000 0.622 580 G HN 0.368 nan 8.290 nan 0.000 0.521 581 E N 0.495 120.478 120.200 -0.361 0.000 2.351 581 E HA 0.518 5.286 4.350 0.698 0.000 0.255 581 E C 0.397 177.094 176.600 0.163 0.000 1.188 581 E CA 0.201 56.572 56.400 -0.048 0.000 0.940 581 E CB 0.932 30.715 29.700 0.137 0.000 1.094 581 E HN 0.454 nan 8.360 nan 0.000 0.474 582 S N 0.101 115.990 115.700 0.315 0.000 2.456 582 S HA 0.113 5.002 4.470 0.698 0.000 0.316 582 S C 0.322 175.026 174.600 0.174 0.000 1.089 582 S CA -0.689 57.760 58.200 0.414 0.000 1.101 582 S CB 0.494 63.888 63.200 0.324 0.000 0.995 582 S HN 0.702 nan 8.310 nan 0.000 0.468 583 Y N 4.482 124.697 120.300 -0.141 0.000 2.128 583 Y HA -0.231 4.738 4.550 0.698 0.000 0.284 583 Y C 2.560 178.200 175.900 -0.434 0.000 1.154 583 Y CA 2.044 59.706 58.100 -0.730 0.000 1.149 583 Y CB -0.160 37.806 38.460 -0.823 0.000 0.976 583 Y HN 0.807 nan 8.280 nan 0.000 0.505 584 R N 0.696 121.112 120.500 -0.141 0.000 2.133 584 R HA -0.290 4.469 4.340 0.698 0.000 0.245 584 R C 2.310 178.387 176.300 -0.372 0.000 1.137 584 R CA 1.930 57.926 56.100 -0.174 0.000 0.947 584 R CB -1.033 29.320 30.300 0.088 0.000 0.865 584 R HN 0.498 nan 8.270 nan 0.000 0.437 585 A N -0.612 122.085 122.820 -0.206 0.000 1.841 585 A HA -0.244 4.495 4.320 0.698 0.000 0.216 585 A C 2.028 179.417 177.584 -0.325 0.000 1.199 585 A CA 1.700 53.627 52.037 -0.183 0.000 0.621 585 A CB -1.340 17.633 19.000 -0.045 0.000 0.835 585 A HN 0.557 nan 8.150 nan 0.000 0.445 586 Y N 0.880 120.893 120.300 -0.477 0.000 1.967 586 Y HA -0.367 4.602 4.550 0.698 0.000 0.255 586 Y C 2.556 178.012 175.900 -0.741 0.000 1.197 586 Y CA 2.812 60.577 58.100 -0.559 0.000 1.088 586 Y CB -0.317 37.733 38.460 -0.683 0.000 0.917 586 Y HN 0.256 nan 8.280 nan 0.000 0.497 587 R N 0.334 120.134 120.500 -1.166 0.000 2.159 587 R HA -0.174 4.585 4.340 0.698 0.000 0.237 587 R C 2.138 177.773 176.300 -1.108 0.000 1.131 587 R CA 1.585 56.826 56.100 -1.433 0.000 0.982 587 R CB -0.800 28.003 30.300 -2.494 0.000 0.868 587 R HN 0.530 nan 8.270 nan 0.000 0.453 588 E N 0.628 120.315 120.200 -0.856 0.000 2.106 588 E HA -0.134 4.635 4.350 0.698 0.000 0.192 588 E C 1.244 177.658 176.600 -0.310 0.000 0.984 588 E CA 1.391 57.527 56.400 -0.440 0.000 0.806 588 E CB 0.075 29.626 29.700 -0.249 0.000 0.750 588 E HN 0.256 nan 8.360 nan 0.000 0.458 589 D N -0.208 119.985 120.400 -0.345 0.000 2.091 589 D HA -0.165 4.894 4.640 0.698 0.000 0.199 589 D C 1.925 178.057 176.300 -0.279 0.000 0.980 589 D CA 1.060 54.904 54.000 -0.259 0.000 0.831 589 D CB -0.452 40.197 40.800 -0.252 0.000 0.987 589 D HN 0.188 nan 8.370 nan 0.000 0.460 590 M N 0.585 119.929 119.600 -0.426 0.000 2.089 590 M HA -0.213 4.686 4.480 0.698 0.000 0.257 590 M C 2.056 178.220 176.300 -0.227 0.000 1.071 590 M CA 1.459 56.530 55.300 -0.382 0.000 1.096 590 M CB -0.264 31.983 32.600 -0.589 0.000 1.330 590 M HN 0.083 nan 8.290 nan 0.000 0.403 591 L N -0.063 121.020 121.223 -0.233 0.000 1.970 591 L HA -0.286 4.473 4.340 0.698 0.000 0.212 591 L C 2.528 179.357 176.870 -0.069 0.000 1.071 591 L CA 2.005 56.790 54.840 -0.092 0.000 0.751 591 L CB -0.495 41.550 42.059 -0.024 0.000 0.889 591 L HN 0.411 nan 8.230 nan 0.000 0.432 592 K N -0.577 119.770 120.400 -0.088 0.000 2.020 592 K HA -0.286 4.453 4.320 0.698 0.000 0.212 592 K C 2.246 178.813 176.600 -0.055 0.000 1.050 592 K CA 2.004 58.252 56.287 -0.064 0.000 0.929 592 K CB -0.095 32.362 32.500 -0.071 0.000 0.714 592 K HN 0.201 nan 8.250 nan 0.000 0.443 593 R N 0.600 121.059 120.500 -0.068 0.000 2.088 593 R HA -0.159 4.600 4.340 0.698 0.000 0.232 593 R C 2.040 178.338 176.300 -0.003 0.000 1.136 593 R CA 2.193 58.268 56.100 -0.040 0.000 0.926 593 R CB -0.336 29.929 30.300 -0.059 0.000 0.837 593 R HN 0.214 nan 8.270 nan 0.000 0.429 594 D N -0.750 119.654 120.400 0.007 0.000 2.158 594 D HA -0.139 4.920 4.640 0.698 0.000 0.197 594 D C 1.743 178.039 176.300 -0.006 0.000 0.995 594 D CA 1.636 55.685 54.000 0.081 0.000 0.846 594 D CB -0.272 40.596 40.800 0.114 0.000 0.941 594 D HN 0.268 nan 8.370 nan 0.000 0.456 595 T N 0.534 115.060 114.554 -0.046 0.000 2.788 595 T HA -0.092 4.677 4.350 0.698 0.000 0.268 595 T C 2.172 176.824 174.700 -0.079 0.000 1.044 595 T CA 0.568 62.615 62.100 -0.088 0.000 1.139 595 T CB -0.148 68.683 68.868 -0.062 0.000 0.867 595 T HN 0.150 nan 8.240 nan 0.000 0.454 596 L N 0.406 121.608 121.223 -0.034 0.000 1.988 596 L HA -0.059 4.700 4.340 0.698 0.000 0.207 596 L C 2.840 179.722 176.870 0.019 0.000 1.071 596 L CA 1.258 56.091 54.840 -0.013 0.000 0.744 596 L CB -0.510 41.548 42.059 -0.001 0.000 0.893 596 L HN 0.143 nan 8.230 nan 0.000 0.433 597 E N 0.495 120.736 120.200 0.069 0.000 2.086 597 E HA -0.288 4.481 4.350 0.698 0.000 0.200 597 E C 1.966 178.684 176.600 0.197 0.000 1.012 597 E CA 1.488 58.003 56.400 0.191 0.000 0.812 597 E CB -0.455 29.415 29.700 0.282 0.000 0.743 597 E HN 0.224 nan 8.360 nan 0.000 0.453 598 L N 0.661 121.806 121.223 -0.130 0.000 1.997 598 L HA -0.265 4.494 4.340 0.698 0.000 0.216 598 L C 2.318 179.121 176.870 -0.111 0.000 1.074 598 L CA 2.744 57.289 54.840 -0.492 0.000 0.763 598 L CB -1.312 40.309 42.059 -0.731 0.000 0.890 598 L HN 0.312 nan 8.230 nan 0.000 0.434 599 S N -0.717 114.940 115.700 -0.072 0.000 2.440 599 S HA -0.305 4.584 4.470 0.698 0.000 0.240 599 S C 2.201 176.816 174.600 0.024 0.000 1.014 599 S CA 1.343 59.526 58.200 -0.029 0.000 0.980 599 S CB -0.813 62.367 63.200 -0.033 0.000 0.775 599 S HN 0.655 nan 8.310 nan 0.000 0.499 600 R N -0.391 120.164 120.500 0.092 0.000 2.075 600 R HA -0.058 4.701 4.340 0.698 0.000 0.232 600 R C 1.581 177.865 176.300 -0.027 0.000 1.126 600 R CA 1.512 57.634 56.100 0.035 0.000 0.963 600 R CB -0.341 29.990 30.300 0.052 0.000 0.858 600 R HN 0.569 nan 8.270 nan 0.000 0.435 601 Y N -0.253 120.055 120.300 0.014 0.000 2.475 601 Y HA 0.118 5.087 4.550 0.698 0.000 0.289 601 Y C 0.567 176.460 175.900 -0.011 0.000 1.121 601 Y CA 0.006 58.126 58.100 0.033 0.000 1.257 601 Y CB 0.386 38.920 38.460 0.124 0.000 1.026 601 Y HN -0.201 nan 8.280 nan 0.000 0.555 602 V N 0.409 120.379 119.914 0.093 0.000 2.407 602 V HA 0.435 4.974 4.120 0.698 0.000 0.278 602 V C 0.898 176.991 176.094 -0.002 0.000 1.037 602 V CA -0.393 61.921 62.300 0.022 0.000 0.900 602 V CB 0.850 32.656 31.823 -0.028 0.000 0.983 602 V HN 0.271 nan 8.190 nan 0.000 0.459 603 A N 4.694 127.510 122.820 -0.007 0.000 1.823 603 A HA -0.099 4.640 4.320 0.698 0.000 0.214 603 A C 2.416 179.987 177.584 -0.022 0.000 1.227 603 A CA 1.966 53.992 52.037 -0.017 0.000 0.616 603 A CB -1.139 17.851 19.000 -0.017 0.000 0.874 603 A HN 1.132 nan 8.150 nan 0.000 0.455 604 S N -0.318 115.368 115.700 -0.023 0.000 2.399 604 S HA -0.197 4.692 4.470 0.698 0.000 0.235 604 S C 1.145 175.727 174.600 -0.030 0.000 1.063 604 S CA 1.390 59.574 58.200 -0.026 0.000 1.070 604 S CB -0.839 62.345 63.200 -0.028 0.000 0.904 604 S HN 0.433 nan 8.310 nan 0.000 0.456 605 M N 2.872 122.451 119.600 -0.034 0.000 2.734 605 M HA 0.149 5.048 4.480 0.698 0.000 0.356 605 M C 0.739 177.019 176.300 -0.034 0.000 1.790 605 M CA 0.112 55.388 55.300 -0.041 0.000 1.231 605 M CB -1.020 31.549 32.600 -0.052 0.000 2.102 605 M HN 0.502 nan 8.290 nan 0.000 0.463 606 A N 5.159 127.959 122.820 -0.032 0.000 2.587 606 A HA -0.067 4.671 4.320 0.698 0.000 0.235 606 A C 0.897 178.464 177.584 -0.027 0.000 1.044 606 A CA 0.233 52.253 52.037 -0.027 0.000 0.754 606 A CB 0.033 19.017 19.000 -0.026 0.000 0.968 606 A HN 0.845 nan 8.150 nan 0.000 0.509 607 R N 0.870 121.355 120.500 -0.024 0.000 3.345 607 R HA -0.038 4.720 4.340 0.698 0.000 0.211 607 R C 0.527 176.815 176.300 -0.020 0.000 1.921 607 R CA 1.097 57.184 56.100 -0.021 0.000 1.609 607 R CB -0.364 29.925 30.300 -0.019 0.000 1.039 607 R HN 0.876 nan 8.270 nan 0.000 0.537 608 Q N -2.557 117.228 119.800 -0.025 0.000 1.262 608 Q HA 0.083 4.842 4.340 0.698 0.000 0.128 608 Q C -0.703 175.280 176.000 -0.030 0.000 0.660 608 Q CA 0.055 55.842 55.803 -0.026 0.000 0.607 608 Q CB 0.181 28.907 28.738 -0.020 0.000 1.076 608 Q HN 0.375 nan 8.270 nan 0.000 0.323 609 A N 0.963 123.764 122.820 -0.032 0.000 2.520 609 A HA 0.524 5.263 4.320 0.698 0.000 0.235 609 A C 0.862 178.422 177.584 -0.040 0.000 1.065 609 A CA 0.884 52.901 52.037 -0.033 0.000 0.764 609 A CB 0.083 19.063 19.000 -0.034 0.000 1.002 609 A HN 0.268 nan 8.150 nan 0.000 0.502 610 G N -0.300 108.476 108.800 -0.039 0.000 2.631 610 G HA2 0.352 4.731 3.960 0.698 0.000 0.271 610 G HA3 0.352 4.731 3.960 0.698 0.000 0.271 610 G C 0.703 175.570 174.900 -0.054 0.000 1.302 610 G CA -0.453 44.621 45.100 -0.044 0.000 1.002 610 G HN 0.745 nan 8.290 nan 0.000 0.519 611 L N 0.852 122.041 121.223 -0.057 0.000 2.633 611 L HA -0.006 4.752 4.340 0.698 0.000 0.235 611 L C 3.022 179.854 176.870 -0.063 0.000 1.163 611 L CA 0.591 55.390 54.840 -0.068 0.000 0.859 611 L CB -0.848 41.174 42.059 -0.062 0.000 0.973 611 L HN 0.695 nan 8.230 nan 0.000 0.451 612 A N 1.745 124.534 122.820 -0.052 0.000 2.030 612 A HA -0.325 4.413 4.320 0.698 0.000 0.266 612 A C 1.897 179.448 177.584 -0.054 0.000 2.529 612 A CA 2.623 54.631 52.037 -0.048 0.000 0.955 612 A CB -0.815 18.160 19.000 -0.042 0.000 0.765 612 A HN 0.600 nan 8.150 nan 0.000 0.502 613 E N 0.461 120.627 120.200 -0.056 0.000 2.311 613 E HA 0.330 5.099 4.350 0.698 0.000 0.198 613 E C -0.289 176.268 176.600 -0.072 0.000 1.115 613 E CA -0.095 56.269 56.400 -0.060 0.000 1.140 613 E CB -0.654 29.014 29.700 -0.053 0.000 1.204 613 E HN 0.613 nan 8.360 nan 0.000 0.446 614 L N 1.355 122.530 121.223 -0.081 0.000 2.295 614 L HA 0.274 5.032 4.340 0.698 0.000 0.285 614 L C 0.636 177.441 176.870 -0.108 0.000 1.035 614 L CA -0.698 54.084 54.840 -0.097 0.000 0.806 614 L CB 1.796 43.792 42.059 -0.103 0.000 1.214 614 L HN 0.001 nan 8.230 nan 0.000 0.426 615 T N 1.509 115.985 114.554 -0.130 0.000 2.882 615 T HA 0.252 5.021 4.350 0.698 0.000 0.287 615 T C -1.745 172.844 174.700 -0.184 0.000 1.014 615 T CA -1.582 60.426 62.100 -0.153 0.000 1.049 615 T CB 1.563 70.325 68.868 -0.178 0.000 1.001 615 T HN 0.314 nan 8.240 nan 0.000 0.525 616 P HA -0.087 nan 4.420 nan 0.000 0.215 616 P C 1.703 178.821 177.300 -0.304 0.000 1.163 616 P CA 1.283 64.267 63.100 -0.193 0.000 0.894 616 P CB -0.063 31.537 31.700 -0.167 0.000 0.791 617 I N -0.283 120.002 120.570 -0.475 0.000 2.087 617 I HA -0.333 4.256 4.170 0.698 0.000 0.240 617 I C 1.825 177.605 176.117 -0.561 0.000 1.054 617 I CA 1.828 62.604 61.300 -0.872 0.000 1.311 617 I CB -0.895 36.480 38.000 -1.041 0.000 1.024 617 I HN -0.022 nan 8.210 nan 0.000 0.402 618 D N 0.697 120.881 120.400 -0.361 0.000 2.172 618 D HA -0.195 4.863 4.640 0.698 0.000 0.196 618 D C 2.216 178.418 176.300 -0.165 0.000 0.999 618 D CA 1.353 55.220 54.000 -0.223 0.000 0.856 618 D CB -0.335 40.365 40.800 -0.166 0.000 0.934 618 D HN 0.361 nan 8.370 nan 0.000 0.453 619 L N 0.713 121.840 121.223 -0.160 0.000 1.993 619 L HA -0.100 4.659 4.340 0.698 0.000 0.206 619 L C 2.444 179.291 176.870 -0.037 0.000 1.074 619 L CA 0.891 55.679 54.840 -0.085 0.000 0.746 619 L CB -0.435 41.582 42.059 -0.070 0.000 0.896 619 L HN -0.096 nan 8.230 nan 0.000 0.435 620 E N 0.187 120.358 120.200 -0.048 0.000 2.147 620 E HA -0.216 4.552 4.350 0.698 0.000 0.199 620 E C 2.260 178.908 176.600 0.080 0.000 1.005 620 E CA 1.334 57.769 56.400 0.057 0.000 0.810 620 E CB -0.469 29.309 29.700 0.129 0.000 0.736 620 E HN 0.322 nan 8.360 nan 0.000 0.460 621 V N 1.109 121.026 119.914 0.005 0.000 2.626 621 V HA -0.183 4.356 4.120 0.698 0.000 0.252 621 V C 2.306 178.416 176.094 0.027 0.000 1.067 621 V CA 1.099 63.417 62.300 0.031 0.000 1.081 621 V CB -0.338 31.463 31.823 -0.036 0.000 0.686 621 V HN 0.186 nan 8.190 nan 0.000 0.468 622 L N -0.419 120.825 121.223 0.036 0.000 2.307 622 L HA 0.128 4.886 4.340 0.698 0.000 0.211 622 L C 2.468 179.419 176.870 0.134 0.000 1.099 622 L CA 0.978 55.885 54.840 0.112 0.000 0.816 622 L CB -0.434 41.697 42.059 0.121 0.000 0.952 622 L HN 0.306 nan 8.230 nan 0.000 0.455 623 A N -1.442 121.439 122.820 0.102 0.000 2.123 623 A HA -0.074 4.665 4.320 0.698 0.000 0.214 623 A C 0.514 178.134 177.584 0.061 0.000 1.152 623 A CA 0.898 52.994 52.037 0.099 0.000 0.728 623 A CB 0.045 19.117 19.000 0.120 0.000 0.814 623 A HN 0.305 nan 8.150 nan 0.000 0.464 624 D N -2.008 118.425 120.400 0.056 0.000 2.584 624 D HA 0.241 5.299 4.640 0.698 0.000 0.238 624 D C -2.660 173.657 176.300 0.028 0.000 1.302 624 D CA -1.177 52.847 54.000 0.040 0.000 0.884 624 D CB 0.975 41.828 40.800 0.089 0.000 1.456 624 D HN -0.095 nan 8.370 nan 0.000 0.528 625 P HA -0.039 nan 4.420 nan 0.000 0.228 625 P C 1.102 178.397 177.300 -0.009 0.000 1.151 625 P CA 0.671 63.757 63.100 -0.024 0.000 0.770 625 P CB 0.349 32.009 31.700 -0.067 0.000 0.786 626 N N -0.033 118.669 118.700 0.002 0.000 2.244 626 N HA -0.119 5.040 4.740 0.698 0.000 0.183 626 N C 1.286 176.876 175.510 0.133 0.000 1.016 626 N CA 1.020 54.111 53.050 0.068 0.000 0.866 626 N CB -0.354 38.190 38.487 0.095 0.000 0.980 626 N HN 0.000 nan 8.380 nan 0.000 0.430 627 K N -0.325 120.083 120.400 0.013 0.000 2.585 627 K HA -0.062 4.676 4.320 0.698 0.000 0.194 627 K C 0.962 177.394 176.600 -0.280 0.000 1.037 627 K CA 0.261 56.305 56.287 -0.404 0.000 0.964 627 K CB 0.009 32.317 32.500 -0.320 0.000 0.787 627 K HN 0.192 nan 8.250 nan 0.000 0.488 628 L N 0.796 122.004 121.223 -0.025 0.000 2.599 628 L HA -0.050 4.709 4.340 0.698 0.000 0.230 628 L C 1.753 178.658 176.870 0.058 0.000 1.141 628 L CA 0.935 55.803 54.840 0.047 0.000 0.877 628 L CB 0.101 42.190 42.059 0.050 0.000 1.009 628 L HN 0.086 nan 8.230 nan 0.000 0.447 629 Q N -1.639 118.217 119.800 0.093 0.000 2.302 629 Q HA -0.027 4.732 4.340 0.698 0.000 0.202 629 Q C 1.060 177.197 176.000 0.228 0.000 0.936 629 Q CA 1.140 57.046 55.803 0.171 0.000 0.886 629 Q CB 0.227 29.085 28.738 0.200 0.000 0.986 629 Q HN 0.678 nan 8.270 nan 0.000 0.487 630 Y N -0.682 119.591 120.300 -0.044 0.000 3.154 630 Y HA 0.259 5.227 4.550 0.697 0.000 0.179 630 Y C 1.872 177.660 175.900 -0.188 0.000 0.900 630 Y CA 0.094 58.139 58.100 -0.091 0.000 1.743 630 Y CB -1.052 37.338 38.460 -0.117 0.000 1.362 630 Y HN -0.159 nan 8.280 nan 0.000 0.414 631 K N 0.070 120.059 120.400 -0.684 0.000 2.520 631 K HA -0.081 4.658 4.320 0.698 0.000 0.197 631 K C -0.773 175.181 176.600 -1.075 0.000 1.044 631 K CA 1.081 56.809 56.287 -0.932 0.000 0.938 631 K CB -0.135 31.563 32.500 -1.336 0.000 0.767 631 K HN 0.386 nan 8.250 nan 0.000 0.481 632 W N -0.051 121.106 121.300 -0.238 0.000 3.074 632 W HA 0.228 5.307 4.660 0.699 0.000 0.332 632 W C -0.689 175.735 176.519 -0.159 0.000 1.253 632 W CA -0.699 56.537 57.345 -0.182 0.000 1.180 632 W CB 1.056 30.421 29.460 -0.157 0.000 1.445 632 W HN -0.029 nan 8.180 nan 0.000 0.573 633 T N -2.861 111.749 114.554 0.094 0.000 2.887 633 T HA 0.247 5.016 4.350 0.698 0.000 0.292 633 T C 0.724 175.442 174.700 0.030 0.000 1.087 633 T CA -0.379 61.721 62.100 -0.001 0.000 1.009 633 T CB 2.456 71.204 68.868 -0.200 0.000 1.203 633 T HN 0.554 nan 8.240 nan 0.000 0.518 634 E N 0.579 120.789 120.200 0.017 0.000 2.169 634 E HA -0.266 4.503 4.350 0.698 0.000 0.202 634 E C 2.070 178.549 176.600 -0.201 0.000 1.016 634 E CA 1.903 58.192 56.400 -0.186 0.000 0.817 634 E CB -0.631 28.859 29.700 -0.350 0.000 0.736 634 E HN 0.769 nan 8.360 nan 0.000 0.462 635 A N 1.176 123.916 122.820 -0.134 0.000 1.969 635 A HA -0.145 4.594 4.320 0.698 0.000 0.218 635 A C 1.477 179.021 177.584 -0.067 0.000 1.169 635 A CA 1.495 53.467 52.037 -0.109 0.000 0.635 635 A CB -0.179 18.757 19.000 -0.105 0.000 0.810 635 A HN 0.437 nan 8.150 nan 0.000 0.445 636 D N -0.499 119.879 120.400 -0.037 0.000 2.319 636 D HA 0.181 5.240 4.640 0.698 0.000 0.230 636 D C -0.252 175.963 176.300 -0.143 0.000 1.094 636 D CA 0.251 54.221 54.000 -0.050 0.000 0.856 636 D CB 0.270 41.085 40.800 0.026 0.000 0.915 636 D HN 0.153 nan 8.370 nan 0.000 0.517 637 V N 0.938 120.798 119.914 -0.089 0.000 2.487 637 V HA 0.091 4.630 4.120 0.698 0.000 0.298 637 V C 0.220 176.283 176.094 -0.052 0.000 1.028 637 V CA -0.855 61.396 62.300 -0.080 0.000 0.860 637 V CB 2.093 33.940 31.823 0.040 0.000 0.991 637 V HN -0.007 nan 8.190 nan 0.000 0.427 638 S N 3.745 119.401 115.700 -0.073 0.000 2.702 638 S HA 0.055 4.944 4.470 0.698 0.000 0.314 638 S C 1.616 176.207 174.600 -0.015 0.000 1.244 638 S CA 0.369 58.536 58.200 -0.055 0.000 1.058 638 S CB 0.790 63.949 63.200 -0.069 0.000 0.783 638 S HN 1.134 nan 8.310 nan 0.000 0.503 639 A N 4.983 127.786 122.820 -0.027 0.000 1.900 639 A HA -0.332 4.406 4.320 0.698 0.000 0.225 639 A C 2.141 179.736 177.584 0.019 0.000 1.414 639 A CA 2.425 54.452 52.037 -0.016 0.000 0.702 639 A CB -0.981 18.000 19.000 -0.031 0.000 0.845 639 A HN 0.953 nan 8.150 nan 0.000 0.478 640 N N -0.315 118.385 118.700 0.001 0.000 2.216 640 N HA -0.100 5.059 4.740 0.698 0.000 0.183 640 N C 1.551 177.069 175.510 0.013 0.000 1.017 640 N CA 1.673 54.724 53.050 0.003 0.000 0.861 640 N CB -0.570 37.908 38.487 -0.015 0.000 0.986 640 N HN 0.408 nan 8.380 nan 0.000 0.428 641 I N 1.930 122.501 120.570 0.003 0.000 2.264 641 I HA -0.227 4.362 4.170 0.698 0.000 0.248 641 I C 2.489 178.618 176.117 0.019 0.000 1.111 641 I CA 1.206 62.502 61.300 -0.007 0.000 1.382 641 I CB -1.433 36.545 38.000 -0.036 0.000 1.060 641 I HN 0.346 nan 8.210 nan 0.000 0.418 642 H N 1.430 120.479 119.070 -0.036 0.000 2.387 642 H HA -0.147 4.827 4.556 0.698 0.000 0.299 642 H C 1.877 177.196 175.328 -0.015 0.000 1.090 642 H CA 1.614 57.648 56.048 -0.024 0.000 1.332 642 H CB 0.347 30.092 29.762 -0.029 0.000 1.386 642 H HN 0.456 nan 8.280 nan 0.000 0.516 643 E N -0.138 120.107 120.200 0.075 0.000 2.204 643 E HA -0.105 4.664 4.350 0.698 0.000 0.195 643 E C 2.417 179.016 176.600 -0.002 0.000 0.990 643 E CA 0.832 57.240 56.400 0.015 0.000 0.821 643 E CB 0.194 29.891 29.700 -0.005 0.000 0.750 643 E HN 0.232 nan 8.360 nan 0.000 0.477 644 V N 1.253 121.176 119.914 0.013 0.000 2.343 644 V HA -0.239 4.300 4.120 0.698 0.000 0.247 644 V C 2.057 178.173 176.094 0.036 0.000 1.051 644 V CA 1.574 63.910 62.300 0.060 0.000 1.036 644 V CB -0.273 31.597 31.823 0.079 0.000 0.654 644 V HN 0.290 nan 8.190 nan 0.000 0.451 645 L N -1.672 119.524 121.223 -0.045 0.000 2.513 645 L HA 0.229 4.987 4.340 0.698 0.000 0.222 645 L C 0.566 177.377 176.870 -0.099 0.000 1.096 645 L CA 0.244 55.037 54.840 -0.079 0.000 0.857 645 L CB -0.018 41.966 42.059 -0.125 0.000 1.026 645 L HN 0.265 nan 8.230 nan 0.000 0.469 646 M N -1.077 118.451 119.600 -0.121 0.000 2.644 646 M HA 0.469 5.367 4.480 0.698 0.000 0.304 646 M C -1.165 175.168 176.300 0.055 0.000 1.215 646 M CA -0.327 54.942 55.300 -0.052 0.000 0.871 646 M CB 2.078 34.597 32.600 -0.135 0.000 1.740 646 M HN -0.138 nan 8.290 nan 0.000 0.464 647 H N -0.066 119.024 119.070 0.033 0.000 2.877 647 H HA 0.661 5.636 4.556 0.698 0.000 0.347 647 H C -1.068 174.301 175.328 0.068 0.000 1.042 647 H CA -0.239 55.839 56.048 0.049 0.000 1.276 647 H CB 1.806 31.587 29.762 0.032 0.000 1.681 647 H HN 0.841 nan 8.280 nan 0.000 0.521 648 G N 2.191 111.192 108.800 0.334 0.000 2.552 648 G HA2 0.518 4.897 3.960 0.698 0.000 0.318 648 G HA3 0.518 4.897 3.960 0.698 0.000 0.318 648 G C -0.764 174.300 174.900 0.274 0.000 1.240 648 G CA -0.480 44.778 45.100 0.263 0.000 1.002 648 G HN 0.401 nan 8.290 nan 0.000 0.493 649 V N 0.082 120.090 119.914 0.157 0.000 2.850 649 V HA 0.407 4.946 4.120 0.698 0.000 0.315 649 V C 0.656 176.804 176.094 0.089 0.000 1.064 649 V CA -0.702 61.664 62.300 0.110 0.000 0.979 649 V CB 1.678 33.541 31.823 0.068 0.000 1.039 649 V HN 0.999 nan 8.190 nan 0.000 0.452 650 S N 1.831 117.574 115.700 0.072 0.000 2.673 650 S HA 0.015 4.904 4.470 0.698 0.000 0.308 650 S C 1.161 175.794 174.600 0.056 0.000 1.246 650 S CA -0.342 57.893 58.200 0.059 0.000 1.077 650 S CB 0.398 63.626 63.200 0.047 0.000 0.814 650 S HN 0.577 nan 8.310 nan 0.000 0.503 651 V N 3.173 123.118 119.914 0.051 0.000 2.332 651 V HA -0.288 4.251 4.120 0.698 0.000 0.248 651 V C 2.667 178.793 176.094 0.053 0.000 1.055 651 V CA 2.137 64.468 62.300 0.051 0.000 1.038 651 V CB -1.681 30.165 31.823 0.038 0.000 0.651 651 V HN 1.041 nan 8.190 nan 0.000 0.450 652 E N 1.635 121.861 120.200 0.044 0.000 2.147 652 E HA -0.304 4.465 4.350 0.698 0.000 0.199 652 E C 2.017 178.651 176.600 0.057 0.000 1.005 652 E CA 2.075 58.501 56.400 0.043 0.000 0.810 652 E CB -0.461 29.260 29.700 0.034 0.000 0.736 652 E HN 0.616 nan 8.360 nan 0.000 0.460 653 K N -0.068 120.368 120.400 0.060 0.000 2.098 653 K HA -0.035 4.704 4.320 0.698 0.000 0.203 653 K C 2.597 179.264 176.600 0.113 0.000 1.051 653 K CA 1.547 57.877 56.287 0.072 0.000 0.957 653 K CB -0.211 32.318 32.500 0.048 0.000 0.738 653 K HN 0.382 nan 8.250 nan 0.000 0.447 654 T N -0.354 114.263 114.554 0.105 0.000 2.821 654 T HA -0.164 4.605 4.350 0.698 0.000 0.267 654 T C 1.878 176.707 174.700 0.216 0.000 1.046 654 T CA 1.232 63.427 62.100 0.159 0.000 1.139 654 T CB -0.048 68.890 68.868 0.117 0.000 0.871 654 T HN 0.252 nan 8.240 nan 0.000 0.454 655 E N 0.958 121.238 120.200 0.132 0.000 2.051 655 E HA -0.214 4.555 4.350 0.698 0.000 0.192 655 E C 2.574 179.233 176.600 0.098 0.000 0.991 655 E CA 0.915 57.373 56.400 0.097 0.000 0.799 655 E CB -0.205 29.530 29.700 0.058 0.000 0.748 655 E HN 0.539 nan 8.360 nan 0.000 0.449 656 R N -0.492 120.072 120.500 0.108 0.000 2.091 656 R HA -0.191 4.567 4.340 0.698 0.000 0.238 656 R C 2.342 178.724 176.300 0.136 0.000 1.136 656 R CA 1.788 57.945 56.100 0.096 0.000 0.959 656 R CB -0.467 29.890 30.300 0.095 0.000 0.856 656 R HN 0.258 nan 8.270 nan 0.000 0.437 657 F N 0.674 120.657 119.950 0.056 0.000 2.051 657 F HA -0.222 4.724 4.527 0.698 0.000 0.296 657 F C 1.817 177.672 175.800 0.091 0.000 1.122 657 F CA 1.301 59.361 58.000 0.100 0.000 1.201 657 F CB -0.638 38.432 39.000 0.117 0.000 0.978 657 F HN 0.013 nan 8.300 nan 0.000 0.472 658 L N 1.063 122.300 121.223 0.023 0.000 2.089 658 L HA -0.239 4.520 4.340 0.698 0.000 0.213 658 L C 2.620 179.338 176.870 -0.253 0.000 1.079 658 L CA 1.929 56.668 54.840 -0.168 0.000 0.758 658 L CB -1.177 40.890 42.059 0.015 0.000 0.891 658 L HN 0.253 nan 8.230 nan 0.000 0.433 659 R N -0.835 119.582 120.500 -0.138 0.000 2.070 659 R HA -0.164 4.595 4.340 0.698 0.000 0.232 659 R C 2.537 178.743 176.300 -0.157 0.000 1.138 659 R CA 1.709 57.732 56.100 -0.128 0.000 0.936 659 R CB -0.411 29.856 30.300 -0.055 0.000 0.839 659 R HN 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-0.275 0.000 0.763 663 P CB 0.282 31.874 31.700 -0.180 0.000 0.776 664 R N 0.000 120.424 120.500 -0.127 0.000 2.786 664 R HA 0.000 4.759 4.340 0.698 0.000 0.208 664 R CA 0.000 56.049 56.100 -0.086 0.000 0.921 664 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535