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 1hi0_1_R 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 0.000 177.284 177.300 -0.026 0.000 1.155 1 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 1 P CB 0.000 31.685 31.700 -0.026 0.000 0.726 2 R N 2.110 122.594 120.500 -0.027 0.000 1.688 2 R HA -0.104 4.227 4.340 -0.014 0.000 0.399 2 R C -0.756 175.520 176.300 -0.040 0.000 1.219 2 R CA 0.856 56.941 56.100 -0.025 0.000 0.891 2 R CB -0.559 29.733 30.300 -0.013 0.000 2.839 2 R HN 0.652 nan 8.270 nan 0.000 0.493 3 R N 3.634 124.104 120.500 -0.049 0.000 2.457 3 R HA 0.781 5.113 4.340 -0.014 0.000 0.284 3 R C -0.002 176.259 176.300 -0.065 0.000 1.024 3 R CA -0.074 55.982 56.100 -0.073 0.000 1.025 3 R CB 1.329 31.577 30.300 -0.087 0.000 1.063 3 R HN 0.582 nan 8.270 nan 0.000 0.493 4 A N 4.135 126.908 122.820 -0.078 0.000 2.425 4 A HA 0.323 4.635 4.320 -0.014 0.000 0.249 4 A C -1.943 175.601 177.584 -0.067 0.000 1.084 4 A CA -1.464 50.543 52.037 -0.051 0.000 0.781 4 A CB -0.297 18.679 19.000 -0.041 0.000 1.019 4 A HN 0.769 nan 8.150 nan 0.000 0.490 5 P HA 0.408 nan 4.420 nan 0.000 0.276 5 P C -0.674 176.455 177.300 -0.284 0.000 1.235 5 P CA 0.174 63.169 63.100 -0.174 0.000 0.772 5 P CB 1.285 32.959 31.700 -0.044 0.000 0.871 6 A N 3.605 126.138 122.820 -0.478 0.000 2.401 6 A HA 0.827 5.138 4.320 -0.014 0.000 0.310 6 A C -1.252 175.970 177.584 -0.603 0.000 1.075 6 A CA -0.527 51.347 52.037 -0.271 0.000 0.746 6 A CB 0.939 20.059 19.000 0.200 0.000 1.277 6 A HN 0.386 nan 8.150 nan 0.000 0.425 7 F N 1.523 121.582 119.950 0.182 0.000 2.565 7 F HA 0.610 5.131 4.527 -0.010 0.000 0.313 7 F C -2.337 173.574 175.800 0.185 0.000 1.091 7 F CA -2.435 55.659 58.000 0.157 0.000 0.915 7 F CB 2.074 41.160 39.000 0.144 0.000 1.208 7 F HN 0.327 nan 8.300 nan 0.000 0.453 8 P HA 0.082 nan 4.420 nan 0.000 0.276 8 P C 0.704 178.196 177.300 0.319 0.000 1.244 8 P CA -0.372 62.884 63.100 0.260 0.000 0.801 8 P CB 1.555 33.353 31.700 0.162 0.000 1.006 9 L N 2.669 124.096 121.223 0.339 0.000 2.187 9 L HA -0.190 4.142 4.340 -0.014 0.000 0.213 9 L C 2.267 179.275 176.870 0.230 0.000 1.100 9 L CA 2.487 57.543 54.840 0.359 0.000 0.765 9 L CB -1.584 40.697 42.059 0.369 0.000 0.904 9 L HN 0.444 nan 8.230 nan 0.000 0.437 10 S N -2.092 113.715 115.700 0.178 0.000 2.423 10 S HA -0.133 4.329 4.470 -0.014 0.000 0.231 10 S C 1.072 175.752 174.600 0.134 0.000 1.014 10 S CA 0.320 58.597 58.200 0.129 0.000 0.965 10 S CB -0.813 62.446 63.200 0.099 0.000 0.785 10 S HN 0.604 nan 8.310 nan 0.000 0.495 11 D N 1.050 121.553 120.400 0.171 0.000 2.443 11 D HA 0.016 4.647 4.640 -0.014 0.000 0.239 11 D C 1.142 177.509 176.300 0.111 0.000 1.136 11 D CA -0.095 54.002 54.000 0.163 0.000 0.879 11 D CB 0.732 41.685 40.800 0.256 0.000 1.195 11 D HN 0.149 nan 8.370 nan 0.000 0.443 12 I N 4.427 125.040 120.570 0.072 0.000 2.423 12 I HA -0.250 3.912 4.170 -0.014 0.000 0.254 12 I C 1.960 178.073 176.117 -0.008 0.000 1.151 12 I CA 1.550 62.874 61.300 0.040 0.000 1.421 12 I CB -0.062 37.956 38.000 0.031 0.000 1.079 12 I HN 0.379 nan 8.210 nan 0.000 0.431 13 K N 0.326 120.670 120.400 -0.093 0.000 2.148 13 K HA -0.037 4.275 4.320 -0.014 0.000 0.204 13 K C 2.110 178.627 176.600 -0.138 0.000 1.050 13 K CA 1.242 57.392 56.287 -0.228 0.000 0.942 13 K CB -0.256 31.868 32.500 -0.627 0.000 0.724 13 K HN 0.480 nan 8.250 nan 0.000 0.446 14 A N 1.198 124.021 122.820 0.004 0.000 1.874 14 A HA -0.130 4.182 4.320 -0.014 0.000 0.214 14 A C 2.081 179.765 177.584 0.166 0.000 1.189 14 A CA 0.825 52.944 52.037 0.137 0.000 0.615 14 A CB -0.284 18.910 19.000 0.322 0.000 0.830 14 A HN 0.118 nan 8.150 nan 0.000 0.443 15 Q N -0.270 119.635 119.800 0.175 0.000 2.133 15 Q HA -0.192 4.140 4.340 -0.014 0.000 0.208 15 Q C 1.990 178.092 176.000 0.170 0.000 0.991 15 Q CA 1.656 57.581 55.803 0.204 0.000 0.867 15 Q CB -0.508 28.306 28.738 0.127 0.000 0.911 15 Q HN 0.704 nan 8.270 nan 0.000 0.417 16 M N -0.015 119.629 119.600 0.073 0.000 2.700 16 M HA -0.064 4.407 4.480 -0.014 0.000 0.249 16 M C 1.519 177.842 176.300 0.038 0.000 1.082 16 M CA 0.676 56.020 55.300 0.075 0.000 1.077 16 M CB -0.180 32.474 32.600 0.090 0.000 1.477 16 M HN 0.133 nan 8.290 nan 0.000 0.529 17 L N -1.008 120.085 121.223 -0.217 0.000 2.558 17 L HA 0.108 4.440 4.340 -0.014 0.000 0.225 17 L C -0.309 176.089 176.870 -0.787 0.000 1.128 17 L CA 0.115 54.606 54.840 -0.582 0.000 0.868 17 L CB -0.051 41.397 42.059 -1.020 0.000 1.006 17 L HN 0.076 nan 8.230 nan 0.000 0.454 18 F N 0.074 120.047 119.950 0.038 0.000 2.499 18 F HA 0.590 5.108 4.527 -0.015 0.000 0.333 18 F C 0.610 176.437 175.800 0.045 0.000 1.138 18 F CA -1.107 56.922 58.000 0.048 0.000 0.945 18 F CB 0.793 39.764 39.000 -0.049 0.000 1.181 18 F HN -0.230 nan 8.300 nan 0.000 0.435 19 A N 1.803 124.755 122.820 0.221 0.000 2.448 19 A HA 0.086 4.397 4.320 -0.014 0.000 0.239 19 A C 0.585 178.277 177.584 0.182 0.000 1.080 19 A CA -0.354 51.803 52.037 0.200 0.000 0.779 19 A CB 0.094 19.309 19.000 0.359 0.000 1.026 19 A HN 0.771 nan 8.150 nan 0.000 0.499 20 N N 0.997 119.781 118.700 0.139 0.000 3.103 20 N HA 0.120 4.852 4.740 -0.014 0.000 0.305 20 N C -0.665 174.892 175.510 0.078 0.000 1.232 20 N CA 0.159 53.264 53.050 0.092 0.000 1.190 20 N CB -0.966 37.560 38.487 0.066 0.000 1.461 20 N HN 0.765 nan 8.380 nan 0.000 0.538 21 N N -0.440 118.312 118.700 0.085 0.000 2.494 21 N HA 0.263 4.995 4.740 -0.014 0.000 0.270 21 N C 0.639 176.171 175.510 0.036 0.000 1.285 21 N CA -0.812 52.274 53.050 0.060 0.000 0.812 21 N CB 0.690 39.225 38.487 0.080 0.000 1.557 21 N HN -0.247 nan 8.380 nan 0.000 0.487 22 I N 0.202 120.781 120.570 0.015 0.000 2.091 22 I HA -0.230 3.932 4.170 -0.014 0.000 0.239 22 I C 1.959 178.057 176.117 -0.031 0.000 1.061 22 I CA 1.443 62.737 61.300 -0.010 0.000 1.317 22 I CB -1.272 36.722 38.000 -0.010 0.000 1.031 22 I HN 0.642 nan 8.210 nan 0.000 0.401 23 K N 1.184 121.579 120.400 -0.008 0.000 2.015 23 K HA -0.198 4.113 4.320 -0.014 0.000 0.216 23 K C 2.241 178.763 176.600 -0.129 0.000 1.052 23 K CA 1.894 58.164 56.287 -0.027 0.000 0.937 23 K CB -0.774 31.760 32.500 0.057 0.000 0.719 23 K HN 0.382 nan 8.250 nan 0.000 0.446 24 A N 2.033 124.842 122.820 -0.019 0.000 1.859 24 A HA -0.248 4.063 4.320 -0.014 0.000 0.217 24 A C 2.249 179.668 177.584 -0.275 0.000 1.198 24 A CA 1.826 53.818 52.037 -0.074 0.000 0.629 24 A CB -0.572 18.590 19.000 0.271 0.000 0.830 24 A HN 0.324 nan 8.150 nan 0.000 0.446 25 Q N -0.423 119.287 119.800 -0.151 0.000 2.077 25 Q HA -0.257 4.074 4.340 -0.014 0.000 0.206 25 Q C 2.200 178.029 176.000 -0.285 0.000 0.989 25 Q CA 2.064 57.736 55.803 -0.219 0.000 0.853 25 Q CB -0.567 28.111 28.738 -0.099 0.000 0.907 25 Q HN 0.846 nan 8.270 nan 0.000 0.418 26 Q N -0.128 119.543 119.800 -0.216 0.000 2.124 26 Q HA -0.096 4.236 4.340 -0.014 0.000 0.202 26 Q C 2.069 177.927 176.000 -0.236 0.000 0.977 26 Q CA 1.305 57.003 55.803 -0.175 0.000 0.850 26 Q CB -0.205 28.464 28.738 -0.115 0.000 0.901 26 Q HN 0.402 nan 8.270 nan 0.000 0.429 27 A N 1.151 123.717 122.820 -0.423 0.000 1.902 27 A HA -0.240 4.071 4.320 -0.014 0.000 0.217 27 A C 2.287 179.676 177.584 -0.326 0.000 1.181 27 A CA 1.946 53.691 52.037 -0.486 0.000 0.623 27 A CB -0.772 17.432 19.000 -1.327 0.000 0.818 27 A HN 0.483 nan 8.150 nan 0.000 0.443 28 S N -0.059 115.171 115.700 -0.784 0.000 2.368 28 S HA -0.165 4.297 4.470 -0.014 0.000 0.225 28 S C 1.796 176.293 174.600 -0.171 0.000 1.030 28 S CA 1.560 59.186 58.200 -0.958 0.000 0.999 28 S CB -0.337 61.662 63.200 -2.001 0.000 0.844 28 S HN 0.616 nan 8.310 nan 0.000 0.459 29 K N 0.534 120.864 120.400 -0.117 0.000 2.243 29 K HA 0.187 4.499 4.320 -0.014 0.000 0.201 29 K C 0.842 177.590 176.600 0.247 0.000 1.051 29 K CA -0.104 56.253 56.287 0.117 0.000 0.970 29 K CB -0.066 32.433 32.500 -0.002 0.000 0.755 29 K HN 0.203 nan 8.250 nan 0.000 0.465 30 R N 2.548 123.116 120.500 0.113 0.000 2.695 30 R HA -0.099 4.233 4.340 -0.014 0.000 0.304 30 R C -0.290 176.150 176.300 0.233 0.000 0.836 30 R CA 0.277 56.449 56.100 0.120 0.000 1.135 30 R CB -0.014 30.330 30.300 0.072 0.000 0.882 30 R HN 0.160 nan 8.270 nan 0.000 0.413 31 S N 4.056 119.884 115.700 0.213 0.000 2.707 31 S HA 0.305 4.767 4.470 -0.014 0.000 0.276 31 S C 0.001 174.729 174.600 0.212 0.000 1.179 31 S CA -0.968 57.393 58.200 0.268 0.000 0.992 31 S CB 0.621 63.937 63.200 0.192 0.000 1.030 31 S HN 0.504 nan 8.310 nan 0.000 0.554 32 F N 1.332 121.356 119.950 0.123 0.000 2.629 32 F HA 0.419 4.937 4.527 -0.014 0.000 0.369 32 F C 0.225 176.069 175.800 0.073 0.000 1.125 32 F CA 0.691 58.742 58.000 0.085 0.000 1.330 32 F CB 0.229 39.277 39.000 0.080 0.000 1.071 32 F HN 0.607 nan 8.300 nan 0.000 0.595 33 K N 3.981 123.901 120.400 -0.801 0.000 2.508 33 K HA 0.444 4.756 4.320 -0.014 0.000 0.260 33 K C -1.526 174.644 176.600 -0.717 0.000 0.949 33 K CA -0.773 55.214 56.287 -0.500 0.000 0.834 33 K CB 2.005 34.359 32.500 -0.244 0.000 1.365 33 K HN 0.728 nan 8.250 nan 0.000 0.437 34 E N 0.361 120.327 120.200 -0.390 0.000 2.416 34 E HA 0.793 5.135 4.350 -0.014 0.000 0.280 34 E C -0.901 175.385 176.600 -0.524 0.000 1.055 34 E CA -1.437 54.712 56.400 -0.418 0.000 0.825 34 E CB 1.841 31.447 29.700 -0.157 0.000 1.312 34 E HN 0.637 nan 8.360 nan 0.000 0.452 35 G N -0.310 107.889 108.800 -1.002 0.000 2.358 35 G HA2 0.479 4.430 3.960 -0.014 0.000 0.303 35 G HA3 0.479 4.430 3.960 -0.014 0.000 0.303 35 G C -1.060 173.266 174.900 -0.956 0.000 1.537 35 G CA -0.460 44.043 45.100 -0.995 0.000 0.928 35 G HN 0.809 nan 8.290 nan 0.000 0.656 36 A N 0.427 122.954 122.820 -0.488 0.000 2.531 36 A HA 0.554 4.866 4.320 -0.014 0.000 0.236 36 A C 0.947 178.453 177.584 -0.130 0.000 1.062 36 A CA 0.558 52.522 52.037 -0.121 0.000 0.760 36 A CB -0.198 18.888 19.000 0.143 0.000 0.995 36 A HN 1.907 nan 8.150 nan 0.000 0.501 37 I N -1.078 119.451 120.570 -0.068 0.000 2.664 37 I HA 0.481 4.643 4.170 -0.014 0.000 0.308 37 I C 0.203 176.310 176.117 -0.016 0.000 0.984 37 I CA -0.619 60.649 61.300 -0.054 0.000 1.213 37 I CB 1.376 39.351 38.000 -0.043 0.000 1.379 37 I HN 0.685 nan 8.210 nan 0.000 0.501 38 E N 3.076 123.260 120.200 -0.026 0.000 1.861 38 E HA 0.131 4.473 4.350 -0.014 0.000 0.263 38 E C 0.453 177.020 176.600 -0.055 0.000 1.137 38 E CA -0.168 56.218 56.400 -0.023 0.000 0.944 38 E CB 0.583 30.274 29.700 -0.015 0.000 1.092 38 E HN 0.811 nan 8.360 nan 0.000 0.420 39 T N 3.128 117.635 114.554 -0.079 0.000 2.649 39 T HA -0.201 4.140 4.350 -0.014 0.000 0.268 39 T C -0.080 174.349 174.700 -0.452 0.000 1.036 39 T CA 1.639 63.614 62.100 -0.209 0.000 1.157 39 T CB -0.097 68.664 68.868 -0.178 0.000 0.861 39 T HN 0.346 nan 8.240 nan 0.000 0.445 40 Y N -0.484 119.824 120.300 0.014 0.000 2.615 40 Y HA 0.404 4.946 4.550 -0.014 0.000 0.341 40 Y C -0.087 175.820 175.900 0.012 0.000 1.089 40 Y CA -1.823 56.290 58.100 0.022 0.000 1.049 40 Y CB 1.156 39.670 38.460 0.089 0.000 1.296 40 Y HN -0.074 nan 8.280 nan 0.000 0.470 41 E N 0.608 120.917 120.200 0.181 0.000 2.652 41 E HA 0.210 4.551 4.350 -0.014 0.000 0.255 41 E C 0.717 177.377 176.600 0.100 0.000 0.952 41 E CA 1.477 57.932 56.400 0.091 0.000 0.947 41 E CB 0.101 29.831 29.700 0.052 0.000 0.912 41 E HN 0.905 nan 8.360 nan 0.000 0.489 42 G N 3.512 112.346 108.800 0.057 0.000 2.168 42 G HA2 -0.277 3.674 3.960 -0.014 0.000 0.257 42 G HA3 -0.277 3.674 3.960 -0.014 0.000 0.257 42 G C -0.112 174.811 174.900 0.038 0.000 0.997 42 G CA 0.191 45.318 45.100 0.044 0.000 0.708 42 G HN 0.446 nan 8.290 nan 0.000 0.520 43 L N 0.124 121.371 121.223 0.039 0.000 2.441 43 L HA 0.620 4.951 4.340 -0.014 0.000 0.270 43 L C -0.663 176.186 176.870 -0.034 0.000 0.973 43 L CA -1.027 53.807 54.840 -0.010 0.000 0.842 43 L CB 1.284 43.325 42.059 -0.030 0.000 1.239 43 L HN -0.004 nan 8.230 nan 0.000 0.406 44 L N 2.840 124.058 121.223 -0.008 0.000 2.350 44 L HA 0.274 4.605 4.340 -0.014 0.000 0.275 44 L C 1.609 178.525 176.870 0.076 0.000 1.099 44 L CA 0.540 55.397 54.840 0.029 0.000 0.808 44 L CB 1.892 43.984 42.059 0.056 0.000 1.149 44 L HN 0.766 nan 8.230 nan 0.000 0.442 45 S N 1.577 117.364 115.700 0.146 0.000 2.419 45 S HA -0.129 4.332 4.470 -0.014 0.000 0.235 45 S C 1.209 176.059 174.600 0.417 0.000 1.019 45 S CA 1.153 59.562 58.200 0.350 0.000 0.982 45 S CB -0.542 62.843 63.200 0.308 0.000 0.789 45 S HN 0.569 nan 8.310 nan 0.000 0.490 46 V N -1.062 119.012 119.914 0.266 0.000 3.647 46 V HA 0.246 4.357 4.120 -0.014 0.000 0.279 46 V C 0.509 176.675 176.094 0.120 0.000 1.314 46 V CA -0.199 62.210 62.300 0.182 0.000 1.125 46 V CB -0.921 30.994 31.823 0.155 0.000 0.907 46 V HN 0.323 nan 8.190 nan 0.000 0.434 47 D N 2.279 122.776 120.400 0.161 0.000 2.583 47 D HA 0.024 4.656 4.640 -0.014 0.000 0.232 47 D C -1.338 175.001 176.300 0.066 0.000 1.128 47 D CA -0.911 53.152 54.000 0.106 0.000 0.859 47 D CB 1.884 42.762 40.800 0.129 0.000 1.169 47 D HN 0.145 nan 8.370 nan 0.000 0.481 48 P HA -0.151 nan 4.420 nan 0.000 0.215 48 P C 1.233 178.438 177.300 -0.158 0.000 1.157 48 P CA 1.515 64.551 63.100 -0.106 0.000 0.874 48 P CB 0.196 31.829 31.700 -0.111 0.000 0.790 49 R N -1.897 118.462 120.500 -0.235 0.000 2.096 49 R HA -0.164 4.167 4.340 -0.014 0.000 0.240 49 R C 2.231 178.286 176.300 -0.407 0.000 1.139 49 R CA 1.402 57.179 56.100 -0.538 0.000 0.952 49 R CB -1.359 28.333 30.300 -1.014 0.000 0.854 49 R HN 0.147 nan 8.270 nan 0.000 0.436 50 F N 1.238 121.055 119.950 -0.221 0.000 2.069 50 F HA -0.154 4.365 4.527 -0.014 0.000 0.298 50 F C 1.836 177.704 175.800 0.114 0.000 1.113 50 F CA 1.450 59.515 58.000 0.108 0.000 1.214 50 F CB -0.509 38.639 39.000 0.246 0.000 0.978 50 F HN -0.088 nan 8.300 nan 0.000 0.474 51 L N -0.958 120.259 121.223 -0.011 0.000 2.042 51 L HA -0.279 4.052 4.340 -0.014 0.000 0.210 51 L C 2.727 179.478 176.870 -0.199 0.000 1.076 51 L CA 1.682 56.368 54.840 -0.257 0.000 0.749 51 L CB -1.301 40.451 42.059 -0.512 0.000 0.893 51 L HN 0.221 nan 8.230 nan 0.000 0.432 52 S N 0.044 115.640 115.700 -0.174 0.000 2.365 52 S HA -0.268 4.193 4.470 -0.014 0.000 0.225 52 S C 1.990 176.542 174.600 -0.080 0.000 1.039 52 S CA 1.738 59.859 58.200 -0.133 0.000 1.033 52 S CB -0.431 62.666 63.200 -0.171 0.000 0.887 52 S HN 0.421 nan 8.310 nan 0.000 0.447 53 F N 1.984 121.791 119.950 -0.239 0.000 2.069 53 F HA -0.080 4.438 4.527 -0.014 0.000 0.298 53 F C 2.220 177.913 175.800 -0.178 0.000 1.113 53 F CA 2.204 60.078 58.000 -0.209 0.000 1.214 53 F CB -0.745 38.135 39.000 -0.200 0.000 0.978 53 F HN 0.143 nan 8.300 nan 0.000 0.474 54 K N 0.092 120.246 120.400 -0.411 0.000 2.074 54 K HA -0.289 4.023 4.320 -0.014 0.000 0.209 54 K C 2.006 178.492 176.600 -0.191 0.000 1.048 54 K CA 1.843 57.873 56.287 -0.428 0.000 0.926 54 K CB -0.481 31.930 32.500 -0.149 0.000 0.713 54 K HN 0.478 nan 8.250 nan 0.000 0.444 55 N N 0.719 119.430 118.700 0.019 0.000 2.058 55 N HA -0.218 4.513 4.740 -0.014 0.000 0.191 55 N C 1.811 177.315 175.510 -0.011 0.000 1.037 55 N CA 1.596 54.690 53.050 0.072 0.000 0.848 55 N CB 0.024 38.606 38.487 0.158 0.000 1.021 55 N HN 0.199 nan 8.380 nan 0.000 0.422 56 E N -0.525 119.633 120.200 -0.070 0.000 2.051 56 E HA -0.194 4.148 4.350 -0.014 0.000 0.192 56 E C 1.922 178.473 176.600 -0.081 0.000 0.991 56 E CA 0.922 57.293 56.400 -0.049 0.000 0.799 56 E CB -0.156 29.503 29.700 -0.068 0.000 0.748 56 E HN 0.372 nan 8.360 nan 0.000 0.449 57 L N 1.105 122.151 121.223 -0.294 0.000 2.017 57 L HA -0.197 4.135 4.340 -0.014 0.000 0.208 57 L C 2.547 179.339 176.870 -0.129 0.000 1.073 57 L CA 2.487 57.133 54.840 -0.323 0.000 0.745 57 L CB -0.926 40.684 42.059 -0.748 0.000 0.894 57 L HN 0.243 nan 8.230 nan 0.000 0.432 58 S N -0.575 115.074 115.700 -0.085 0.000 2.353 58 S HA -0.280 4.182 4.470 -0.014 0.000 0.222 58 S C 2.148 176.921 174.600 0.288 0.000 1.035 58 S CA 1.359 59.632 58.200 0.121 0.000 1.025 58 S CB -0.738 62.578 63.200 0.194 0.000 0.902 58 S HN 0.489 nan 8.310 nan 0.000 0.440 59 R N -0.082 120.630 120.500 0.353 0.000 2.094 59 R HA -0.105 4.227 4.340 -0.014 0.000 0.239 59 R C 2.391 178.881 176.300 0.316 0.000 1.137 59 R CA 1.943 58.316 56.100 0.456 0.000 0.943 59 R CB -0.836 29.657 30.300 0.321 0.000 0.850 59 R HN 0.615 nan 8.270 nan 0.000 0.433 60 Y N 1.402 121.758 120.300 0.093 0.000 2.097 60 Y HA -0.258 4.283 4.550 -0.014 0.000 0.282 60 Y C 2.016 177.943 175.900 0.046 0.000 1.152 60 Y CA 1.711 59.836 58.100 0.042 0.000 1.136 60 Y CB -0.305 38.102 38.460 -0.088 0.000 0.975 60 Y HN -0.012 nan 8.280 nan 0.000 0.498 61 L N -0.759 120.510 121.223 0.076 0.000 2.012 61 L HA -0.289 4.043 4.340 -0.014 0.000 0.210 61 L C 2.351 179.165 176.870 -0.093 0.000 1.073 61 L CA 2.073 56.785 54.840 -0.213 0.000 0.748 61 L CB -1.039 40.426 42.059 -0.989 0.000 0.891 61 L HN 0.272 nan 8.230 nan 0.000 0.431 62 T N -1.281 113.307 114.554 0.057 0.000 2.759 62 T HA -0.244 4.098 4.350 -0.014 0.000 0.269 62 T C 1.607 176.388 174.700 0.134 0.000 1.042 62 T CA 1.626 63.846 62.100 0.200 0.000 1.140 62 T CB -0.254 68.508 68.868 -0.176 0.000 0.864 62 T HN 0.394 nan 8.240 nan 0.000 0.455 63 D N 0.382 120.844 120.400 0.103 0.000 2.103 63 D HA -0.096 4.535 4.640 -0.014 0.000 0.199 63 D C 1.626 177.845 176.300 -0.135 0.000 0.978 63 D CA 1.068 55.084 54.000 0.027 0.000 0.829 63 D CB -0.025 40.816 40.800 0.069 0.000 0.981 63 D HN 0.425 nan 8.370 nan 0.000 0.464 64 H N -1.777 117.042 119.070 -0.418 0.000 2.551 64 H HA 0.163 4.711 4.556 -0.014 0.000 0.266 64 H C -0.320 174.435 175.328 -0.955 0.000 0.977 64 H CA 0.389 55.998 56.048 -0.733 0.000 1.163 64 H CB -0.007 29.105 29.762 -1.083 0.000 1.381 64 H HN 0.047 nan 8.280 nan 0.000 0.581 65 F N 1.334 121.318 119.950 0.056 0.000 2.794 65 F HA 0.274 4.792 4.527 -0.014 0.000 0.353 65 F C -2.511 173.396 175.800 0.179 0.000 1.371 65 F CA -2.466 55.610 58.000 0.127 0.000 1.173 65 F CB 1.076 40.181 39.000 0.175 0.000 1.693 65 F HN -0.106 nan 8.300 nan 0.000 0.606 66 P HA 0.194 nan 4.420 nan 0.000 0.272 66 P C 0.005 177.365 177.300 0.100 0.000 1.223 66 P CA -0.113 63.059 63.100 0.121 0.000 0.784 66 P CB 1.120 32.853 31.700 0.056 0.000 0.923 67 A N 2.816 125.667 122.820 0.050 0.000 2.520 67 A HA 0.024 4.336 4.320 -0.014 0.000 0.235 67 A C 0.359 177.917 177.584 -0.043 0.000 1.065 67 A CA 0.114 52.151 52.037 0.001 0.000 0.764 67 A CB -0.825 18.184 19.000 0.016 0.000 1.002 67 A HN 0.636 nan 8.150 nan 0.000 0.502 68 N N 0.863 119.450 118.700 -0.189 0.000 2.904 68 N HA 0.428 5.159 4.740 -0.014 0.000 0.257 68 N C -1.605 173.563 175.510 -0.569 0.000 1.363 68 N CA -0.263 52.448 53.050 -0.564 0.000 0.856 68 N CB 1.358 39.284 38.487 -0.936 0.000 1.166 68 N HN 0.352 nan 8.380 nan 0.000 0.499 69 V N 1.300 121.165 119.914 -0.081 0.000 2.525 69 V HA 0.184 4.295 4.120 -0.014 0.000 0.299 69 V C -0.154 176.104 176.094 0.272 0.000 1.034 69 V CA -1.043 61.291 62.300 0.058 0.000 0.863 69 V CB 1.648 33.352 31.823 -0.197 0.000 0.999 69 V HN 0.486 nan 8.190 nan 0.000 0.423 70 D N 2.927 123.546 120.400 0.365 0.000 2.414 70 D HA 0.126 4.758 4.640 -0.014 0.000 0.251 70 D C 0.871 177.281 176.300 0.184 0.000 1.252 70 D CA -0.519 53.638 54.000 0.261 0.000 0.999 70 D CB 0.824 41.734 40.800 0.184 0.000 1.093 70 D HN 0.424 nan 8.370 nan 0.000 0.515 71 E N -1.374 118.889 120.200 0.105 0.000 2.333 71 E HA -0.166 4.176 4.350 -0.014 0.000 0.200 71 E C 0.365 176.777 176.600 -0.312 0.000 1.010 71 E CA 1.129 57.490 56.400 -0.065 0.000 0.841 71 E CB -0.542 29.058 29.700 -0.167 0.000 0.757 71 E HN 0.482 nan 8.360 nan 0.000 0.508 72 Y N -0.880 119.405 120.300 -0.026 0.000 2.607 72 Y HA 0.328 4.870 4.550 -0.014 0.000 0.266 72 Y C 1.568 177.560 175.900 0.153 0.000 1.178 72 Y CA 0.048 58.097 58.100 -0.084 0.000 1.226 72 Y CB 0.696 39.039 38.460 -0.195 0.000 1.144 72 Y HN 0.096 nan 8.280 nan 0.000 0.528 73 G N 0.849 109.842 108.800 0.322 0.000 2.196 73 G HA2 -0.339 3.613 3.960 -0.014 0.000 0.268 73 G HA3 -0.339 3.613 3.960 -0.014 0.000 0.268 73 G C 0.410 175.457 174.900 0.246 0.000 0.975 73 G CA -0.114 45.180 45.100 0.324 0.000 0.648 73 G HN 0.355 nan 8.290 nan 0.000 0.538 74 R N -0.061 120.614 120.500 0.293 0.000 2.389 74 R HA 0.454 4.786 4.340 -0.014 0.000 0.295 74 R C 0.282 176.790 176.300 0.346 0.000 1.075 74 R CA 0.133 56.446 56.100 0.354 0.000 1.005 74 R CB 1.875 32.262 30.300 0.145 0.000 0.987 74 R HN 0.500 nan 8.270 nan 0.000 0.452 75 V N 4.999 125.108 119.914 0.325 0.000 2.394 75 V HA 0.480 4.592 4.120 -0.014 0.000 0.282 75 V C -0.910 175.313 176.094 0.214 0.000 1.031 75 V CA -0.329 62.059 62.300 0.146 0.000 0.881 75 V CB 0.531 32.369 31.823 0.026 0.000 0.982 75 V HN 0.785 nan 8.190 nan 0.000 0.451 76 Y N 4.580 124.962 120.300 0.137 0.000 3.013 76 Y HA 0.985 5.527 4.550 -0.014 0.000 0.310 76 Y C 1.016 176.977 175.900 0.102 0.000 1.450 76 Y CA -0.411 57.765 58.100 0.126 0.000 1.091 76 Y CB 0.307 38.844 38.460 0.129 0.000 1.373 76 Y HN 1.328 nan 8.280 nan 0.000 0.590 77 G N 1.397 110.340 108.800 0.240 0.000 2.622 77 G HA2 -0.458 3.493 3.960 -0.014 0.000 0.307 77 G HA3 -0.458 3.493 3.960 -0.014 0.000 0.307 77 G C 0.620 175.553 174.900 0.056 0.000 1.226 77 G CA 0.862 46.039 45.100 0.130 0.000 0.997 77 G HN 1.454 nan 8.290 nan 0.000 0.551 78 N N 2.088 120.808 118.700 0.032 0.000 2.571 78 N HA 0.258 4.989 4.740 -0.014 0.000 0.189 78 N C 1.777 177.327 175.510 0.066 0.000 1.154 78 N CA 1.082 54.194 53.050 0.104 0.000 0.907 78 N CB -0.040 38.573 38.487 0.211 0.000 0.977 78 N HN 2.207 nan 8.380 nan 0.000 0.449 79 G N 0.218 109.017 108.800 -0.002 0.000 2.184 79 G HA2 -0.300 3.651 3.960 -0.014 0.000 0.264 79 G HA3 -0.300 3.651 3.960 -0.014 0.000 0.264 79 G C 0.046 174.946 174.900 0.001 0.000 0.975 79 G CA 0.333 45.435 45.100 0.005 0.000 0.642 79 G HN 0.262 nan 8.290 nan 0.000 0.536 80 V N 1.815 121.733 119.914 0.007 0.000 2.470 80 V HA 0.352 4.463 4.120 -0.014 0.000 0.276 80 V C 1.631 177.679 176.094 -0.076 0.000 1.040 80 V CA 0.731 63.023 62.300 -0.013 0.000 1.008 80 V CB 1.172 33.053 31.823 0.096 0.000 0.990 80 V HN 0.614 nan 8.190 nan 0.000 0.477 81 R N 2.859 123.300 120.500 -0.098 0.000 2.362 81 R HA 0.307 4.638 4.340 -0.014 0.000 0.227 81 R C 0.550 176.813 176.300 -0.061 0.000 0.905 81 R CA 0.280 56.337 56.100 -0.072 0.000 1.067 81 R CB 0.658 30.934 30.300 -0.040 0.000 1.078 81 R HN 0.627 nan 8.270 nan 0.000 0.516 82 T N 0.007 114.462 114.554 -0.164 0.000 2.677 82 T HA 0.148 4.490 4.350 -0.014 0.000 0.305 82 T C -1.589 172.888 174.700 -0.371 0.000 1.569 82 T CA -0.736 61.261 62.100 -0.173 0.000 0.984 82 T CB 0.823 69.623 68.868 -0.115 0.000 1.629 82 T HN 0.414 nan 8.240 nan 0.000 0.494 83 N N 0.154 118.673 118.700 -0.302 0.000 2.294 83 N HA 0.301 5.033 4.740 -0.014 0.000 0.248 83 N C -0.056 175.116 175.510 -0.563 0.000 1.300 83 N CA -0.051 52.749 53.050 -0.417 0.000 0.925 83 N CB -0.085 38.084 38.487 -0.530 0.000 1.188 83 N HN 0.483 nan 8.380 nan 0.000 0.512 84 F N -1.996 117.705 119.950 -0.416 0.000 2.647 84 F HA 0.392 4.910 4.527 -0.014 0.000 0.300 84 F C 0.382 176.127 175.800 -0.091 0.000 1.106 84 F CA -0.596 57.293 58.000 -0.184 0.000 1.313 84 F CB -0.475 38.471 39.000 -0.089 0.000 1.007 84 F HN 0.360 nan 8.300 nan 0.000 0.536 85 F N -0.260 119.762 119.950 0.120 0.000 2.771 85 F HA 0.066 4.584 4.527 -0.014 0.000 0.299 85 F C 2.219 177.970 175.800 -0.083 0.000 1.177 85 F CA 0.060 58.041 58.000 -0.033 0.000 1.450 85 F CB -0.328 38.662 39.000 -0.016 0.000 1.114 85 F HN 0.182 nan 8.300 nan 0.000 0.587 86 G N 1.344 110.238 108.800 0.158 0.000 2.443 86 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.219 86 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.219 86 G C 1.627 176.666 174.900 0.231 0.000 1.131 86 G CA 0.698 45.908 45.100 0.184 0.000 0.775 86 G HN 0.474 nan 8.290 nan 0.000 0.547 87 M N -0.394 119.301 119.600 0.158 0.000 2.557 87 M HA 0.237 4.709 4.480 -0.014 0.000 0.259 87 M C 1.458 177.768 176.300 0.018 0.000 1.086 87 M CA 0.655 56.049 55.300 0.158 0.000 1.096 87 M CB -0.075 32.613 32.600 0.146 0.000 1.424 87 M HN -0.111 nan 8.290 nan 0.000 0.488 88 R N 1.861 122.198 120.500 -0.272 0.000 4.160 88 R HA 0.114 4.445 4.340 -0.014 0.000 0.216 88 R C -0.601 175.342 176.300 -0.594 0.000 2.009 88 R CA 0.197 55.794 56.100 -0.838 0.000 1.664 88 R CB -0.783 28.848 30.300 -1.115 0.000 1.216 88 R HN 0.512 nan 8.270 nan 0.000 0.648 89 H N 0.280 119.403 119.070 0.089 0.000 2.622 89 H HA 0.243 4.791 4.556 -0.014 0.000 0.363 89 H C 0.351 175.879 175.328 0.334 0.000 1.151 89 H CA -0.866 55.322 56.048 0.233 0.000 1.184 89 H CB 1.769 31.641 29.762 0.183 0.000 1.643 89 H HN -0.079 nan 8.280 nan 0.000 0.531 90 M N 2.715 122.587 119.600 0.454 0.000 3.213 90 M HA 0.060 4.532 4.480 -0.014 0.000 0.275 90 M C -0.209 176.359 176.300 0.447 0.000 1.424 90 M CA -0.444 55.105 55.300 0.415 0.000 1.561 90 M CB -1.178 31.609 32.600 0.312 0.000 1.109 90 M HN 0.315 nan 8.290 nan 0.000 0.552 91 N N 2.240 121.149 118.700 0.348 0.000 2.301 91 N HA 0.082 4.814 4.740 -0.014 0.000 0.267 91 N C 1.338 176.902 175.510 0.090 0.000 1.304 91 N CA 1.074 54.249 53.050 0.208 0.000 0.851 91 N CB 0.429 39.029 38.487 0.189 0.000 1.070 91 N HN 0.916 nan 8.380 nan 0.000 0.483 92 G N 1.047 109.813 108.800 -0.057 0.000 2.284 92 G HA2 -0.204 3.748 3.960 -0.014 0.000 0.201 92 G HA3 -0.204 3.748 3.960 -0.014 0.000 0.201 92 G C -0.405 174.150 174.900 -0.574 0.000 0.998 92 G CA -0.619 44.273 45.100 -0.348 0.000 0.651 92 G HN 0.427 nan 8.290 nan 0.000 0.489 93 F N 3.636 123.603 119.950 0.028 0.000 2.347 93 F HA 0.516 5.035 4.527 -0.014 0.000 0.366 93 F C -1.659 174.196 175.800 0.092 0.000 1.107 93 F CA -2.242 55.800 58.000 0.069 0.000 1.058 93 F CB 2.235 41.300 39.000 0.108 0.000 1.236 93 F HN -0.118 nan 8.300 nan 0.000 0.456 94 P HA 0.183 nan 4.420 nan 0.000 0.276 94 P C -0.480 176.932 177.300 0.186 0.000 1.252 94 P CA -0.562 62.623 63.100 0.142 0.000 0.802 94 P CB 1.213 32.967 31.700 0.089 0.000 1.035 95 M N 0.514 120.175 119.600 0.101 0.000 2.226 95 M HA 0.442 4.913 4.480 -0.014 0.000 0.324 95 M C -0.368 175.967 176.300 0.058 0.000 1.112 95 M CA 0.322 55.675 55.300 0.087 0.000 1.176 95 M CB 0.052 32.672 32.600 0.032 0.000 1.430 95 M HN 0.063 nan 8.290 nan 0.000 0.462 96 I N 2.093 122.688 120.570 0.043 0.000 2.498 96 I HA 0.552 4.714 4.170 -0.014 0.000 0.290 96 I C -2.400 173.728 176.117 0.019 0.000 1.032 96 I CA -1.879 59.419 61.300 -0.005 0.000 1.073 96 I CB 1.731 39.707 38.000 -0.041 0.000 1.251 96 I HN 0.626 nan 8.210 nan 0.000 0.426 97 P HA 0.497 nan 4.420 nan 0.000 0.289 97 P C -0.773 176.462 177.300 -0.109 0.000 1.300 97 P CA -0.413 62.669 63.100 -0.029 0.000 0.828 97 P CB 1.838 33.588 31.700 0.083 0.000 1.235 98 A N -0.251 122.455 122.820 -0.190 0.000 2.246 98 A HA 0.495 4.807 4.320 -0.014 0.000 0.291 98 A C 0.412 177.888 177.584 -0.179 0.000 1.103 98 A CA -0.181 51.663 52.037 -0.321 0.000 0.844 98 A CB -0.502 18.003 19.000 -0.825 0.000 1.136 98 A HN 0.512 nan 8.150 nan 0.000 0.500 99 T N -0.701 113.774 114.554 -0.131 0.000 2.913 99 T HA 0.383 4.724 4.350 -0.014 0.000 0.287 99 T C -0.998 173.723 174.700 0.035 0.000 1.008 99 T CA 0.003 62.082 62.100 -0.035 0.000 1.067 99 T CB 0.041 68.869 68.868 -0.066 0.000 0.996 99 T HN 0.387 nan 8.240 nan 0.000 0.513 100 W N 5.628 126.934 121.300 0.009 0.000 2.338 100 W HA 0.372 5.023 4.660 -0.015 0.000 0.307 100 W C -1.840 174.680 176.519 0.001 0.000 1.167 100 W CA -2.078 55.299 57.345 0.055 0.000 1.208 100 W CB 0.729 30.244 29.460 0.093 0.000 1.228 100 W HN 0.486 nan 8.180 nan 0.000 0.499 101 P HA 0.002 nan 4.420 nan 0.000 0.271 101 P C -0.566 176.789 177.300 0.091 0.000 1.220 101 P CA -0.209 62.929 63.100 0.065 0.000 0.768 101 P CB 1.144 32.843 31.700 -0.001 0.000 0.848 102 L N 3.585 124.831 121.223 0.039 0.000 2.477 102 L HA 0.114 4.446 4.340 -0.014 0.000 0.272 102 L C 1.752 178.634 176.870 0.020 0.000 1.157 102 L CA 0.427 55.292 54.840 0.042 0.000 0.889 102 L CB 0.260 42.332 42.059 0.022 0.000 1.158 102 L HN 0.515 nan 8.230 nan 0.000 0.473 103 A N 2.811 125.641 122.820 0.017 0.000 1.968 103 A HA 0.032 4.344 4.320 -0.014 0.000 0.217 103 A C 1.078 178.663 177.584 0.001 0.000 1.169 103 A CA 1.219 53.261 52.037 0.008 0.000 0.638 103 A CB -0.107 18.890 19.000 -0.005 0.000 0.812 103 A HN 0.599 nan 8.150 nan 0.000 0.446 104 S N -0.769 114.931 115.700 -0.000 0.000 2.575 104 S HA 0.408 4.869 4.470 -0.014 0.000 0.278 104 S C -0.115 174.490 174.600 0.009 0.000 1.139 104 S CA -0.293 57.910 58.200 0.004 0.000 0.954 104 S CB 0.925 64.126 63.200 0.001 0.000 1.054 104 S HN 0.465 nan 8.310 nan 0.000 0.483 105 N N 5.373 124.082 118.700 0.015 0.000 2.203 105 N HA 0.129 4.861 4.740 -0.014 0.000 0.207 105 N C 1.239 176.784 175.510 0.059 0.000 1.130 105 N CA -0.066 52.994 53.050 0.017 0.000 0.861 105 N CB -0.409 38.075 38.487 -0.004 0.000 1.005 105 N HN 0.592 nan 8.380 nan 0.000 0.507 106 L N 0.428 121.685 121.223 0.057 0.000 1.990 106 L HA -0.167 4.165 4.340 -0.014 0.000 0.213 106 L C 2.614 179.532 176.870 0.080 0.000 1.072 106 L CA 1.737 56.624 54.840 0.077 0.000 0.755 106 L CB -0.477 41.617 42.059 0.059 0.000 0.889 106 L HN 0.264 nan 8.230 nan 0.000 0.432 107 K N 0.977 121.407 120.400 0.051 0.000 2.025 107 K HA -0.242 4.070 4.320 -0.014 0.000 0.207 107 K C 2.263 178.910 176.600 0.079 0.000 1.049 107 K CA 1.600 57.914 56.287 0.045 0.000 0.933 107 K CB -0.071 32.431 32.500 0.003 0.000 0.714 107 K HN 0.085 nan 8.250 nan 0.000 0.438 108 K N 0.697 121.145 120.400 0.081 0.000 2.089 108 K HA -0.219 4.093 4.320 -0.014 0.000 0.210 108 K C 2.157 178.908 176.600 0.251 0.000 1.048 108 K CA 1.706 58.062 56.287 0.113 0.000 0.926 108 K CB -0.050 32.451 32.500 0.003 0.000 0.714 108 K HN 0.149 nan 8.250 nan 0.000 0.448 109 R N -0.286 120.374 120.500 0.267 0.000 2.075 109 R HA -0.074 4.257 4.340 -0.014 0.000 0.232 109 R C 2.458 178.880 176.300 0.204 0.000 1.126 109 R CA 1.192 57.493 56.100 0.336 0.000 0.963 109 R CB -0.321 30.146 30.300 0.278 0.000 0.858 109 R HN 0.302 nan 8.270 nan 0.000 0.435 110 A N 1.595 124.501 122.820 0.145 0.000 1.858 110 A HA -0.190 4.122 4.320 -0.014 0.000 0.216 110 A C 1.570 179.206 177.584 0.088 0.000 1.190 110 A CA 1.809 53.903 52.037 0.095 0.000 0.617 110 A CB -0.498 18.542 19.000 0.068 0.000 0.827 110 A HN 0.184 nan 8.150 nan 0.000 0.443 111 D N 0.189 120.647 120.400 0.097 0.000 2.221 111 D HA -0.073 4.559 4.640 -0.014 0.000 0.204 111 D C 1.825 178.187 176.300 0.104 0.000 0.982 111 D CA 1.420 55.473 54.000 0.088 0.000 0.857 111 D CB -0.310 40.543 40.800 0.089 0.000 0.934 111 D HN 0.463 nan 8.370 nan 0.000 0.475 112 A N 0.055 122.962 122.820 0.145 0.000 2.238 112 A HA -0.044 4.268 4.320 -0.014 0.000 0.208 112 A C 0.348 177.963 177.584 0.052 0.000 1.177 112 A CA 0.204 52.316 52.037 0.124 0.000 0.804 112 A CB 0.116 19.227 19.000 0.185 0.000 0.823 112 A HN 0.045 nan 8.150 nan 0.000 0.482 113 D N -0.819 119.613 120.400 0.053 0.000 2.739 113 D HA -0.118 4.514 4.640 -0.014 0.000 0.240 113 D C -0.768 175.535 176.300 0.004 0.000 1.114 113 D CA 0.785 54.799 54.000 0.023 0.000 0.695 113 D CB -1.175 39.633 40.800 0.013 0.000 1.078 113 D HN 0.451 nan 8.370 nan 0.000 0.434 114 L N 0.020 121.260 121.223 0.028 0.000 2.346 114 L HA 0.699 5.030 4.340 -0.014 0.000 0.274 114 L C 0.986 177.900 176.870 0.072 0.000 1.007 114 L CA -0.929 53.931 54.840 0.034 0.000 0.818 114 L CB 1.726 43.812 42.059 0.044 0.000 1.284 114 L HN 0.050 nan 8.230 nan 0.000 0.424 115 A N 0.970 123.818 122.820 0.047 0.000 2.520 115 A HA 0.129 4.440 4.320 -0.014 0.000 0.235 115 A C 0.353 177.986 177.584 0.082 0.000 1.065 115 A CA 0.001 52.045 52.037 0.012 0.000 0.764 115 A CB -0.022 18.929 19.000 -0.082 0.000 1.002 115 A HN 0.865 nan 8.150 nan 0.000 0.502 116 D N 0.187 120.521 120.400 -0.110 0.000 2.427 116 D HA 0.440 5.071 4.640 -0.014 0.000 0.224 116 D C 0.358 176.142 176.300 -0.861 0.000 1.157 116 D CA 0.531 54.428 54.000 -0.171 0.000 0.828 116 D CB -0.168 40.605 40.800 -0.046 0.000 0.974 116 D HN 0.948 nan 8.370 nan 0.000 0.498 117 G N -0.554 107.358 108.800 -1.480 0.000 2.316 117 G HA2 0.341 4.293 3.960 -0.014 0.000 0.296 117 G HA3 0.341 4.293 3.960 -0.014 0.000 0.296 117 G C -3.222 170.918 174.900 -1.267 0.000 1.399 117 G CA -1.154 42.792 45.100 -1.924 0.000 0.833 117 G HN -0.119 nan 8.290 nan 0.000 0.565 118 P HA 0.198 nan 4.420 nan 0.000 0.265 118 P C 1.110 178.386 177.300 -0.039 0.000 1.193 118 P CA -0.013 63.011 63.100 -0.128 0.000 0.765 118 P CB 1.459 33.169 31.700 0.018 0.000 0.823 119 V N 1.890 121.881 119.914 0.129 0.000 2.878 119 V HA 0.046 4.158 4.120 -0.014 0.000 0.250 119 V C 0.542 176.632 176.094 -0.008 0.000 1.075 119 V CA 1.801 64.094 62.300 -0.011 0.000 1.096 119 V CB -0.238 31.534 31.823 -0.085 0.000 0.724 119 V HN 0.629 nan 8.190 nan 0.000 0.467 120 S N -1.022 114.700 115.700 0.037 0.000 2.600 120 S HA 0.504 4.966 4.470 -0.014 0.000 0.300 120 S C 0.574 175.181 174.600 0.011 0.000 1.087 120 S CA 0.186 58.389 58.200 0.006 0.000 0.965 120 S CB 1.740 64.937 63.200 -0.005 0.000 1.089 120 S HN 0.261 nan 8.310 nan 0.000 0.496 121 E N 1.420 121.614 120.200 -0.009 0.000 2.160 121 E HA -0.160 4.182 4.350 -0.014 0.000 0.195 121 E C 1.971 178.566 176.600 -0.008 0.000 0.991 121 E CA 1.592 57.988 56.400 -0.007 0.000 0.810 121 E CB -0.206 29.483 29.700 -0.018 0.000 0.742 121 E HN 0.702 nan 8.360 nan 0.000 0.466 122 R N 0.214 120.698 120.500 -0.027 0.000 2.082 122 R HA -0.179 4.152 4.340 -0.014 0.000 0.234 122 R C 1.464 177.733 176.300 -0.052 0.000 1.136 122 R CA 2.099 58.166 56.100 -0.055 0.000 0.935 122 R CB -0.403 29.848 30.300 -0.082 0.000 0.842 122 R HN 0.174 nan 8.270 nan 0.000 0.430 123 D N 0.126 120.514 120.400 -0.020 0.000 2.133 123 D HA -0.197 4.434 4.640 -0.014 0.000 0.195 123 D C 1.587 177.922 176.300 0.060 0.000 0.997 123 D CA 1.561 55.540 54.000 -0.035 0.000 0.840 123 D CB -0.635 40.260 40.800 0.159 0.000 0.947 123 D HN 0.340 nan 8.370 nan 0.000 0.452 124 N N 0.205 118.986 118.700 0.135 0.000 2.104 124 N HA -0.125 4.607 4.740 -0.014 0.000 0.190 124 N C 1.768 177.357 175.510 0.131 0.000 1.024 124 N CA 0.950 54.110 53.050 0.183 0.000 0.853 124 N CB -0.318 38.219 38.487 0.084 0.000 1.008 124 N HN 0.151 nan 8.380 nan 0.000 0.424 125 L N -0.058 121.191 121.223 0.044 0.000 2.017 125 L HA -0.143 4.188 4.340 -0.014 0.000 0.208 125 L C 2.363 179.230 176.870 -0.004 0.000 1.073 125 L CA 0.893 55.742 54.840 0.016 0.000 0.745 125 L CB -0.538 41.512 42.059 -0.016 0.000 0.894 125 L HN 0.258 nan 8.230 nan 0.000 0.432 126 L N -1.223 119.956 121.223 -0.074 0.000 2.012 126 L HA -0.262 4.069 4.340 -0.014 0.000 0.210 126 L C 2.550 179.352 176.870 -0.114 0.000 1.073 126 L CA 1.642 56.387 54.840 -0.159 0.000 0.748 126 L CB -0.606 41.282 42.059 -0.284 0.000 0.891 126 L HN 0.111 nan 8.230 nan 0.000 0.431 127 F N -0.175 119.773 119.950 -0.004 0.000 2.095 127 F HA -0.238 4.281 4.527 -0.014 0.000 0.298 127 F C 2.765 178.583 175.800 0.029 0.000 1.104 127 F CA 1.198 59.213 58.000 0.024 0.000 1.232 127 F CB -0.267 38.756 39.000 0.037 0.000 0.987 127 F HN -0.083 nan 8.300 nan 0.000 0.475 128 R N -0.082 120.548 120.500 0.216 0.000 2.148 128 R HA -0.086 4.246 4.340 -0.014 0.000 0.227 128 R C 2.336 178.681 176.300 0.076 0.000 1.103 128 R CA 0.902 57.072 56.100 0.117 0.000 0.983 128 R CB -0.508 29.842 30.300 0.083 0.000 0.874 128 R HN 0.281 nan 8.270 nan 0.000 0.451 129 A N 1.083 123.928 122.820 0.041 0.000 1.897 129 A HA -0.038 4.273 4.320 -0.014 0.000 0.215 129 A C 2.355 179.943 177.584 0.007 0.000 1.181 129 A CA 1.378 53.411 52.037 -0.006 0.000 0.620 129 A CB -0.621 18.333 19.000 -0.076 0.000 0.821 129 A HN 0.353 nan 8.150 nan 0.000 0.443 130 A N -0.332 122.505 122.820 0.027 0.000 1.917 130 A HA -0.089 4.222 4.320 -0.014 0.000 0.219 130 A C 2.240 180.014 177.584 0.317 0.000 1.182 130 A CA 2.052 54.204 52.037 0.191 0.000 0.633 130 A CB -1.054 18.148 19.000 0.338 0.000 0.819 130 A HN 0.417 nan 8.150 nan 0.000 0.448 131 V N 0.016 120.064 119.914 0.223 0.000 2.295 131 V HA -0.289 3.822 4.120 -0.014 0.000 0.246 131 V C 2.654 178.881 176.094 0.221 0.000 1.049 131 V CA 2.287 64.695 62.300 0.180 0.000 1.024 131 V CB -0.857 30.949 31.823 -0.029 0.000 0.648 131 V HN 0.542 nan 8.190 nan 0.000 0.447 132 R N -0.258 120.331 120.500 0.148 0.000 2.083 132 R HA -0.121 4.211 4.340 -0.014 0.000 0.237 132 R C 2.318 178.747 176.300 0.216 0.000 1.137 132 R CA 1.514 57.706 56.100 0.153 0.000 0.951 132 R CB -0.538 29.820 30.300 0.098 0.000 0.851 132 R HN 0.416 nan 8.270 nan 0.000 0.434 133 L N 0.178 121.538 121.223 0.228 0.000 2.083 133 L HA -0.172 4.160 4.340 -0.014 0.000 0.209 133 L C 2.582 179.687 176.870 0.391 0.000 1.083 133 L CA 1.347 56.377 54.840 0.317 0.000 0.752 133 L CB -0.324 41.910 42.059 0.290 0.000 0.899 133 L HN 0.269 nan 8.230 nan 0.000 0.433 134 M N -1.410 118.423 119.600 0.389 0.000 2.156 134 M HA -0.107 4.365 4.480 -0.014 0.000 0.264 134 M C 1.061 177.372 176.300 0.017 0.000 1.067 134 M CA 1.646 57.077 55.300 0.218 0.000 1.131 134 M CB -0.029 32.697 32.600 0.211 0.000 1.368 134 M HN 0.069 nan 8.290 nan 0.000 0.416 135 F N 0.107 120.092 119.950 0.058 0.000 2.713 135 F HA 0.144 4.663 4.527 -0.015 0.000 0.294 135 F C 1.856 177.733 175.800 0.129 0.000 1.152 135 F CA -0.309 57.715 58.000 0.039 0.000 1.385 135 F CB -0.718 38.201 39.000 -0.136 0.000 0.981 135 F HN 0.091 nan 8.300 nan 0.000 0.514 136 S N -1.430 114.401 115.700 0.218 0.000 2.339 136 S HA 0.043 4.505 4.470 -0.014 0.000 0.189 136 S C 0.468 175.116 174.600 0.080 0.000 0.966 136 S CA 0.151 58.452 58.200 0.167 0.000 0.925 136 S CB -0.236 63.056 63.200 0.154 0.000 0.890 136 S HN 0.132 nan 8.310 nan 0.000 0.539 137 D N 2.528 122.960 120.400 0.053 0.000 2.524 137 D HA 0.409 5.040 4.640 -0.014 0.000 0.222 137 D C -0.840 175.451 176.300 -0.015 0.000 1.142 137 D CA 0.066 54.072 54.000 0.009 0.000 0.973 137 D CB 0.425 41.231 40.800 0.011 0.000 1.025 137 D HN 0.315 nan 8.370 nan 0.000 0.519 138 L N 1.426 122.630 121.223 -0.033 0.000 2.307 138 L HA 0.297 4.628 4.340 -0.014 0.000 0.282 138 L C 0.768 177.606 176.870 -0.053 0.000 1.051 138 L CA -0.742 54.066 54.840 -0.052 0.000 0.804 138 L CB 1.484 43.502 42.059 -0.067 0.000 1.197 138 L HN -0.023 nan 8.230 nan 0.000 0.431 139 E N 3.035 123.208 120.200 -0.045 0.000 2.156 139 E HA 0.364 4.706 4.350 -0.014 0.000 0.279 139 E C -2.357 174.229 176.600 -0.023 0.000 0.965 139 E CA -1.926 54.454 56.400 -0.034 0.000 0.789 139 E CB 1.483 31.165 29.700 -0.031 0.000 1.098 139 E HN 0.289 nan 8.360 nan 0.000 0.397 140 P HA 0.016 nan 4.420 nan 0.000 0.269 140 P C -0.640 176.669 177.300 0.016 0.000 1.209 140 P CA -0.134 62.973 63.100 0.012 0.000 0.776 140 P CB 0.605 32.316 31.700 0.018 0.000 0.876 141 V N -0.612 119.323 119.914 0.035 0.000 3.087 141 V HA 0.668 4.780 4.120 -0.014 0.000 0.306 141 V C -2.741 173.383 176.094 0.049 0.000 1.187 141 V CA -2.849 59.469 62.300 0.030 0.000 0.999 141 V CB 1.820 33.656 31.823 0.022 0.000 1.049 141 V HN 0.347 nan 8.190 nan 0.000 0.431 142 P HA 0.161 nan 4.420 nan 0.000 0.269 142 P C -0.481 176.863 177.300 0.073 0.000 1.215 142 P CA -0.142 62.990 63.100 0.055 0.000 0.780 142 P CB 1.148 32.872 31.700 0.039 0.000 0.898 143 L N 2.979 124.254 121.223 0.086 0.000 2.334 143 L HA 0.138 4.469 4.340 -0.014 0.000 0.286 143 L C 0.542 177.492 176.870 0.133 0.000 1.108 143 L CA -0.565 54.338 54.840 0.104 0.000 0.875 143 L CB 0.051 42.159 42.059 0.082 0.000 1.246 143 L HN 0.246 nan 8.230 nan 0.000 0.439 144 K N 5.653 126.138 120.400 0.142 0.000 2.295 144 K HA 0.447 4.759 4.320 -0.014 0.000 0.270 144 K C -0.467 176.238 176.600 0.174 0.000 1.011 144 K CA -0.144 56.242 56.287 0.165 0.000 0.953 144 K CB 1.684 34.306 32.500 0.203 0.000 0.956 144 K HN 0.562 nan 8.250 nan 0.000 0.477 145 I N 1.661 122.327 120.570 0.160 0.000 2.582 145 I HA 0.238 4.399 4.170 -0.014 0.000 0.292 145 I C 0.021 176.171 176.117 0.054 0.000 1.066 145 I CA -1.269 60.102 61.300 0.120 0.000 1.053 145 I CB 2.102 40.174 38.000 0.119 0.000 1.241 145 I HN 0.325 nan 8.210 nan 0.000 0.421 146 R N 5.054 125.558 120.500 0.007 0.000 2.537 146 R HA 0.184 4.516 4.340 -0.014 0.000 0.280 146 R C -0.595 175.677 176.300 -0.046 0.000 1.058 146 R CA 0.137 56.221 56.100 -0.026 0.000 1.057 146 R CB 0.409 30.688 30.300 -0.035 0.000 0.973 146 R HN 0.417 nan 8.270 nan 0.000 0.438 147 K N 2.565 122.944 120.400 -0.035 0.000 2.350 147 K HA 0.260 4.571 4.320 -0.014 0.000 0.279 147 K C 0.616 177.178 176.600 -0.062 0.000 1.027 147 K CA 0.742 57.008 56.287 -0.035 0.000 0.969 147 K CB 0.816 33.314 32.500 -0.004 0.000 0.954 147 K HN 0.880 nan 8.250 nan 0.000 0.474 148 G N 1.691 110.449 108.800 -0.070 0.000 2.153 148 G HA2 -0.300 3.652 3.960 -0.014 0.000 0.252 148 G HA3 -0.300 3.652 3.960 -0.014 0.000 0.252 148 G C 0.049 174.896 174.900 -0.088 0.000 0.994 148 G CA 0.570 45.626 45.100 -0.074 0.000 0.698 148 G HN 0.657 nan 8.290 nan 0.000 0.521 149 S N -0.820 114.813 115.700 -0.112 0.000 2.610 149 S HA 0.730 5.192 4.470 -0.014 0.000 0.273 149 S C 0.351 174.859 174.600 -0.154 0.000 1.274 149 S CA 0.397 58.523 58.200 -0.124 0.000 1.023 149 S CB 2.088 65.199 63.200 -0.148 0.000 0.962 149 S HN 1.326 nan 8.310 nan 0.000 0.523 150 S N 0.686 116.312 115.700 -0.123 0.000 2.562 150 S HA 0.337 4.798 4.470 -0.014 0.000 0.275 150 S C 1.405 175.859 174.600 -0.243 0.000 1.281 150 S CA -0.116 58.005 58.200 -0.132 0.000 1.045 150 S CB 0.541 63.718 63.200 -0.038 0.000 0.962 150 S HN 0.972 nan 8.310 nan 0.000 0.503 151 T N 1.610 116.002 114.554 -0.271 0.000 3.085 151 T HA 0.105 4.447 4.350 -0.014 0.000 0.263 151 T C 1.227 175.730 174.700 -0.328 0.000 1.127 151 T CA 0.493 62.426 62.100 -0.279 0.000 1.103 151 T CB -1.432 67.372 68.868 -0.107 0.000 0.921 151 T HN 0.838 nan 8.240 nan 0.000 0.510 152 C N 0.136 119.066 119.300 -0.618 0.000 0.168 152 C HA -0.213 4.238 4.460 -0.014 0.000 0.017 152 C C 1.006 175.127 174.990 -1.449 0.000 0.171 152 C CA -1.158 57.067 59.018 -1.322 0.000 0.499 152 C CB -1.662 25.727 27.740 -0.585 0.000 3.212 152 C HN 0.753 nan 8.230 nan 0.000 1.118 153 I N 3.592 123.476 120.570 -1.143 0.000 2.906 153 I HA -0.014 4.148 4.170 -0.014 0.000 0.301 153 I C -0.713 175.156 176.117 -0.413 0.000 1.221 153 I CA 0.313 61.265 61.300 -0.581 0.000 1.435 153 I CB 0.329 38.127 38.000 -0.336 0.000 1.345 153 I HN 0.602 nan 8.210 nan 0.000 0.558 154 P HA -0.013 nan 4.420 nan 0.000 0.252 154 P C 0.972 178.159 177.300 -0.187 0.000 1.211 154 P CA 0.748 63.629 63.100 -0.366 0.000 0.824 154 P CB 0.308 31.745 31.700 -0.439 0.000 1.077 155 Y N -0.648 119.643 120.300 -0.015 0.000 2.286 155 Y HA 0.178 4.716 4.550 -0.021 0.000 0.293 155 Y C 0.985 176.995 175.900 0.183 0.000 1.124 155 Y CA -0.031 58.112 58.100 0.070 0.000 1.178 155 Y CB -1.334 37.128 38.460 0.002 0.000 1.010 155 Y HN -0.256 nan 8.280 nan 0.000 0.536 156 F N 0.079 120.074 119.950 0.075 0.000 3.071 156 F HA -0.249 4.268 4.527 -0.016 0.000 0.295 156 F C 0.742 176.543 175.800 0.002 0.000 0.919 156 F CA 0.440 58.433 58.000 -0.011 0.000 1.050 156 F CB -1.663 37.308 39.000 -0.049 0.000 1.040 156 F HN -0.002 nan 8.300 nan 0.000 0.692 157 S N -0.245 115.510 115.700 0.092 0.000 2.646 157 S HA 0.607 5.068 4.470 -0.014 0.000 0.276 157 S C 0.916 175.499 174.600 -0.029 0.000 1.222 157 S CA 0.048 58.270 58.200 0.038 0.000 1.014 157 S CB 1.208 64.419 63.200 0.019 0.000 0.991 157 S HN 0.340 nan 8.310 nan 0.000 0.533 158 N N 0.730 119.408 118.700 -0.036 0.000 2.145 158 N HA 0.176 4.907 4.740 -0.014 0.000 0.219 158 N C -1.275 174.193 175.510 -0.069 0.000 1.266 158 N CA -0.260 52.753 53.050 -0.062 0.000 0.902 158 N CB 0.305 38.769 38.487 -0.040 0.000 1.078 158 N HN 0.624 nan 8.380 nan 0.000 0.513 159 D N 0.917 121.281 120.400 -0.059 0.000 2.382 159 D HA -0.035 4.596 4.640 -0.014 0.000 0.259 159 D C 1.209 177.459 176.300 -0.083 0.000 1.224 159 D CA -0.070 53.892 54.000 -0.063 0.000 0.894 159 D CB 0.706 41.472 40.800 -0.056 0.000 1.127 159 D HN -0.065 nan 8.370 nan 0.000 0.487 160 M N 4.200 123.742 119.600 -0.096 0.000 2.202 160 M HA -0.008 4.464 4.480 -0.014 0.000 0.262 160 M C 1.801 178.019 176.300 -0.137 0.000 1.063 160 M CA 2.031 57.252 55.300 -0.131 0.000 1.097 160 M CB -0.744 31.750 32.600 -0.176 0.000 1.382 160 M HN 0.478 nan 8.290 nan 0.000 0.413 161 G N -1.361 107.369 108.800 -0.117 0.000 2.459 161 G HA2 -0.230 3.721 3.960 -0.014 0.000 0.217 161 G HA3 -0.230 3.721 3.960 -0.014 0.000 0.217 161 G C 1.421 176.282 174.900 -0.065 0.000 1.183 161 G CA 1.507 46.550 45.100 -0.096 0.000 0.776 161 G HN 0.501 nan 8.290 nan 0.000 0.552 162 T N 1.032 115.550 114.554 -0.060 0.000 2.746 162 T HA -0.052 4.290 4.350 -0.014 0.000 0.267 162 T C 2.327 177.025 174.700 -0.004 0.000 1.039 162 T CA 1.360 63.432 62.100 -0.047 0.000 1.142 162 T CB -0.135 68.694 68.868 -0.065 0.000 0.866 162 T HN 0.273 nan 8.240 nan 0.000 0.444 163 K N 0.876 121.266 120.400 -0.016 0.000 2.009 163 K HA -0.073 4.238 4.320 -0.014 0.000 0.210 163 K C 2.258 178.948 176.600 0.150 0.000 1.049 163 K CA 1.139 57.449 56.287 0.037 0.000 0.929 163 K CB -0.470 31.963 32.500 -0.111 0.000 0.714 163 K HN 0.278 nan 8.250 nan 0.000 0.440 164 I N 1.981 122.586 120.570 0.059 0.000 2.151 164 I HA -0.261 3.901 4.170 -0.014 0.000 0.243 164 I C 2.208 178.364 176.117 0.065 0.000 1.080 164 I CA 1.632 62.973 61.300 0.069 0.000 1.339 164 I CB -1.233 36.768 38.000 0.002 0.000 1.039 164 I HN 0.280 nan 8.210 nan 0.000 0.409 165 E N 0.913 121.133 120.200 0.034 0.000 2.038 165 E HA -0.219 4.123 4.350 -0.014 0.000 0.195 165 E C 2.389 179.013 176.600 0.041 0.000 1.000 165 E CA 1.281 57.694 56.400 0.021 0.000 0.803 165 E CB -0.190 29.506 29.700 -0.006 0.000 0.750 165 E HN 0.410 nan 8.360 nan 0.000 0.448 166 I N 1.140 121.758 120.570 0.081 0.000 2.113 166 I HA -0.375 3.787 4.170 -0.014 0.000 0.242 166 I C 2.543 178.683 176.117 0.039 0.000 1.064 166 I CA 1.340 62.709 61.300 0.116 0.000 1.320 166 I CB -0.347 37.807 38.000 0.257 0.000 1.028 166 I HN 0.144 nan 8.210 nan 0.000 0.406 167 A N 0.250 123.105 122.820 0.060 0.000 1.845 167 A HA -0.248 4.064 4.320 -0.014 0.000 0.215 167 A C 2.184 179.710 177.584 -0.096 0.000 1.195 167 A CA 1.854 53.829 52.037 -0.103 0.000 0.616 167 A CB -0.774 18.236 19.000 0.017 0.000 0.832 167 A HN 0.461 nan 8.150 nan 0.000 0.443 168 E N -0.955 119.229 120.200 -0.026 0.000 2.097 168 E HA -0.289 4.052 4.350 -0.014 0.000 0.196 168 E C 2.282 178.860 176.600 -0.036 0.000 1.000 168 E CA 1.547 57.931 56.400 -0.027 0.000 0.804 168 E CB -0.191 29.513 29.700 0.007 0.000 0.740 168 E HN 0.482 nan 8.360 nan 0.000 0.454 169 R N 1.208 121.695 120.500 -0.021 0.000 2.083 169 R HA -0.143 4.189 4.340 -0.014 0.000 0.237 169 R C 2.084 178.361 176.300 -0.038 0.000 1.137 169 R CA 1.833 57.928 56.100 -0.009 0.000 0.951 169 R CB -0.835 29.476 30.300 0.018 0.000 0.851 169 R HN 0.154 nan 8.270 nan 0.000 0.434 170 A N 0.900 123.674 122.820 -0.077 0.000 1.859 170 A HA -0.171 4.141 4.320 -0.014 0.000 0.217 170 A C 2.311 179.805 177.584 -0.150 0.000 1.198 170 A CA 1.894 53.857 52.037 -0.122 0.000 0.629 170 A CB -0.965 17.912 19.000 -0.205 0.000 0.830 170 A HN 0.386 nan 8.150 nan 0.000 0.446 171 L N -1.032 120.048 121.223 -0.239 0.000 2.189 171 L HA -0.242 4.089 4.340 -0.014 0.000 0.214 171 L C 2.521 179.400 176.870 0.016 0.000 1.097 171 L CA 1.801 56.447 54.840 -0.324 0.000 0.764 171 L CB -0.647 41.182 42.059 -0.384 0.000 0.900 171 L HN 0.549 nan 8.230 nan 0.000 0.436 172 E N -0.351 119.841 120.200 -0.014 0.000 2.122 172 E HA -0.089 4.253 4.350 -0.014 0.000 0.190 172 E C 1.580 178.144 176.600 -0.060 0.000 0.977 172 E CA 0.570 56.972 56.400 0.004 0.000 0.820 172 E CB 0.332 30.030 29.700 -0.004 0.000 0.770 172 E HN 0.223 nan 8.360 nan 0.000 0.462 173 K N -0.178 120.154 120.400 -0.115 0.000 2.373 173 K HA 0.261 4.572 4.320 -0.014 0.000 0.202 173 K C 1.402 177.787 176.600 -0.358 0.000 1.025 173 K CA 0.225 56.343 56.287 -0.281 0.000 1.115 173 K CB 1.108 33.402 32.500 -0.343 0.000 0.858 173 K HN 0.005 nan 8.250 nan 0.000 0.525 174 A N 1.878 124.612 122.820 -0.143 0.000 1.892 174 A HA -0.252 4.060 4.320 -0.014 0.000 0.218 174 A C 2.198 179.711 177.584 -0.119 0.000 1.188 174 A CA 2.010 54.056 52.037 0.013 0.000 0.631 174 A CB -0.373 18.855 19.000 0.380 0.000 0.822 174 A HN 0.460 nan 8.150 nan 0.000 0.447 175 E N -0.394 119.454 120.200 -0.587 0.000 2.038 175 E HA -0.281 4.061 4.350 -0.014 0.000 0.195 175 E C 2.063 178.278 176.600 -0.642 0.000 1.000 175 E CA 1.560 57.138 56.400 -1.371 0.000 0.803 175 E CB -0.247 28.467 29.700 -1.643 0.000 0.750 175 E HN 0.736 nan 8.360 nan 0.000 0.448 176 E N -0.386 119.539 120.200 -0.457 0.000 2.153 176 E HA -0.216 4.126 4.350 -0.014 0.000 0.194 176 E C 1.839 178.321 176.600 -0.196 0.000 0.988 176 E CA 0.900 57.126 56.400 -0.290 0.000 0.811 176 E CB -0.107 29.437 29.700 -0.259 0.000 0.746 176 E HN 0.377 nan 8.360 nan 0.000 0.466 177 A N 0.723 123.393 122.820 -0.250 0.000 1.872 177 A HA -0.038 4.273 4.320 -0.014 0.000 0.214 177 A C 2.435 180.034 177.584 0.024 0.000 1.187 177 A CA 1.519 53.510 52.037 -0.077 0.000 0.614 177 A CB -1.175 17.775 19.000 -0.083 0.000 0.826 177 A HN 0.431 nan 8.150 nan 0.000 0.442 178 G N 0.212 109.070 108.800 0.096 0.000 2.446 178 G HA2 -0.310 3.642 3.960 -0.014 0.000 0.217 178 G HA3 -0.310 3.642 3.960 -0.014 0.000 0.217 178 G C 1.425 176.416 174.900 0.152 0.000 1.168 178 G CA 1.138 46.369 45.100 0.218 0.000 0.771 178 G HN 0.519 nan 8.290 nan 0.000 0.551 179 N N 0.457 119.224 118.700 0.111 0.000 2.149 179 N HA -0.045 4.687 4.740 -0.014 0.000 0.188 179 N C 2.284 177.792 175.510 -0.003 0.000 1.019 179 N CA 0.662 53.752 53.050 0.066 0.000 0.857 179 N CB -0.346 38.148 38.487 0.013 0.000 0.997 179 N HN 0.297 nan 8.380 nan 0.000 0.426 180 L N 0.623 121.830 121.223 -0.026 0.000 2.042 180 L HA -0.118 4.213 4.340 -0.014 0.000 0.210 180 L C 2.373 179.131 176.870 -0.187 0.000 1.076 180 L CA 1.079 55.878 54.840 -0.067 0.000 0.749 180 L CB -0.224 41.823 42.059 -0.020 0.000 0.893 180 L HN 0.181 nan 8.230 nan 0.000 0.432 181 M N -1.062 118.410 119.600 -0.212 0.000 2.254 181 M HA -0.191 4.281 4.480 -0.014 0.000 0.265 181 M C 2.215 178.289 176.300 -0.377 0.000 1.066 181 M CA 1.459 56.451 55.300 -0.514 0.000 1.123 181 M CB -0.222 32.262 32.600 -0.192 0.000 1.388 181 M HN 0.248 nan 8.290 nan 0.000 0.425 182 L N -0.141 121.013 121.223 -0.116 0.000 2.131 182 L HA -0.216 4.116 4.340 -0.014 0.000 0.210 182 L C 1.958 178.787 176.870 -0.069 0.000 1.092 182 L CA 1.253 56.073 54.840 -0.034 0.000 0.759 182 L CB -0.549 41.535 42.059 0.042 0.000 0.903 182 L HN 0.384 nan 8.230 nan 0.000 0.435 183 Q N -0.010 119.728 119.800 -0.104 0.000 2.415 183 Q HA 0.084 4.416 4.340 -0.014 0.000 0.206 183 Q C 1.287 177.207 176.000 -0.134 0.000 0.946 183 Q CA 0.478 56.230 55.803 -0.084 0.000 0.951 183 Q CB 0.202 28.901 28.738 -0.065 0.000 1.026 183 Q HN 0.567 nan 8.270 nan 0.000 0.510 184 G N 1.952 110.593 108.800 -0.265 0.000 2.203 184 G HA2 -0.323 3.629 3.960 -0.014 0.000 0.263 184 G HA3 -0.323 3.629 3.960 -0.014 0.000 0.263 184 G C 0.052 174.760 174.900 -0.319 0.000 1.012 184 G CA 0.275 45.185 45.100 -0.317 0.000 0.749 184 G HN 0.298 nan 8.290 nan 0.000 0.512 185 K N -0.006 120.171 120.400 -0.371 0.000 2.778 185 K HA 0.447 4.758 4.320 -0.014 0.000 0.238 185 K C 1.060 177.543 176.600 -0.195 0.000 1.233 185 K CA -0.693 55.485 56.287 -0.181 0.000 1.195 185 K CB -0.157 32.282 32.500 -0.102 0.000 1.743 185 K HN 0.298 nan 8.250 nan 0.000 0.418 186 F N 0.696 120.670 119.950 0.041 0.000 2.134 186 F HA -0.230 4.288 4.527 -0.015 0.000 0.299 186 F C 1.816 177.651 175.800 0.059 0.000 1.097 186 F CA 1.095 59.120 58.000 0.041 0.000 1.264 186 F CB 0.090 39.099 39.000 0.015 0.000 1.001 186 F HN 0.329 nan 8.300 nan 0.000 0.479 187 D N 0.229 120.757 120.400 0.214 0.000 2.117 187 D HA -0.161 4.471 4.640 -0.014 0.000 0.197 187 D C 1.796 178.178 176.300 0.137 0.000 0.987 187 D CA 1.379 55.479 54.000 0.167 0.000 0.829 187 D CB -0.522 40.344 40.800 0.110 0.000 0.961 187 D HN 0.207 nan 8.370 nan 0.000 0.460 188 D N 0.426 120.873 120.400 0.079 0.000 2.097 188 D HA -0.101 4.531 4.640 -0.014 0.000 0.195 188 D C 2.039 178.373 176.300 0.056 0.000 0.989 188 D CA 1.392 55.415 54.000 0.039 0.000 0.827 188 D CB -0.393 40.416 40.800 0.015 0.000 0.966 188 D HN 0.128 nan 8.370 nan 0.000 0.456 189 A N 0.103 122.984 122.820 0.101 0.000 1.892 189 A HA -0.257 4.055 4.320 -0.014 0.000 0.218 189 A C 2.249 179.940 177.584 0.179 0.000 1.188 189 A CA 1.629 53.764 52.037 0.164 0.000 0.631 189 A CB -1.135 17.953 19.000 0.147 0.000 0.822 189 A HN 0.359 nan 8.150 nan 0.000 0.447 190 Y N 0.440 120.766 120.300 0.042 0.000 2.114 190 Y HA -0.219 4.326 4.550 -0.007 0.000 0.284 190 Y C 2.548 178.415 175.900 -0.054 0.000 1.143 190 Y CA 2.219 60.313 58.100 -0.010 0.000 1.135 190 Y CB -0.731 37.713 38.460 -0.026 0.000 0.980 190 Y HN 0.458 nan 8.280 nan 0.000 0.499 191 Q N -0.218 119.508 119.800 -0.124 0.000 2.061 191 Q HA -0.189 4.142 4.340 -0.014 0.000 0.204 191 Q C 2.291 178.119 176.000 -0.287 0.000 0.984 191 Q CA 2.113 57.766 55.803 -0.250 0.000 0.846 191 Q CB -0.253 28.429 28.738 -0.092 0.000 0.902 191 Q HN 0.499 nan 8.270 nan 0.000 0.421 192 L N -0.767 120.280 121.223 -0.292 0.000 2.240 192 L HA -0.090 4.241 4.340 -0.014 0.000 0.211 192 L C 1.243 177.629 176.870 -0.807 0.000 1.106 192 L CA 0.808 55.312 54.840 -0.560 0.000 0.793 192 L CB -0.076 41.547 42.059 -0.726 0.000 0.927 192 L HN 0.397 nan 8.230 nan 0.000 0.446 193 H N -1.257 117.757 119.070 -0.093 0.000 3.367 193 H HA 0.170 4.724 4.556 -0.004 0.000 0.257 193 H C 0.061 175.326 175.328 -0.106 0.000 1.201 193 H CA -0.131 55.871 56.048 -0.075 0.000 1.102 193 H CB 0.780 30.518 29.762 -0.040 0.000 1.656 193 H HN 0.088 nan 8.280 nan 0.000 0.662 194 Q N 0.232 119.932 119.800 -0.166 0.000 2.480 194 Q HA -0.184 4.148 4.340 -0.014 0.000 0.265 194 Q C -0.228 175.788 176.000 0.028 0.000 1.072 194 Q CA 0.797 56.443 55.803 -0.261 0.000 1.018 194 Q CB -1.898 26.672 28.738 -0.280 0.000 1.433 194 Q HN 0.493 nan 8.270 nan 0.000 0.513 195 M N -0.007 119.670 119.600 0.127 0.000 2.152 195 M HA 0.535 5.006 4.480 -0.014 0.000 0.354 195 M C 0.863 177.273 176.300 0.184 0.000 1.173 195 M CA 0.351 55.721 55.300 0.118 0.000 1.110 195 M CB 0.922 33.578 32.600 0.094 0.000 1.366 195 M HN 0.422 nan 8.290 nan 0.000 0.415 196 G N 0.754 109.623 108.800 0.116 0.000 2.366 196 G HA2 0.372 4.323 3.960 -0.014 0.000 0.190 196 G HA3 0.372 4.323 3.960 -0.014 0.000 0.190 196 G C -0.037 174.694 174.900 -0.281 0.000 1.299 196 G CA 0.046 45.130 45.100 -0.026 0.000 1.056 196 G HN 0.943 nan 8.290 nan 0.000 0.468 197 G N -0.176 108.250 108.800 -0.623 0.000 2.950 197 G HA2 0.389 4.341 3.960 -0.014 0.000 0.299 197 G HA3 0.389 4.341 3.960 -0.014 0.000 0.299 197 G C 0.843 175.491 174.900 -0.419 0.000 1.310 197 G CA 2.505 47.110 45.100 -0.826 0.000 0.994 197 G HN 2.911 nan 8.290 nan 0.000 0.575 198 A N -2.373 120.249 122.820 -0.330 0.000 2.566 198 A HA 0.687 4.999 4.320 -0.014 0.000 0.290 198 A C -1.327 176.144 177.584 -0.188 0.000 1.071 198 A CA -0.160 51.772 52.037 -0.175 0.000 0.658 198 A CB 0.261 19.237 19.000 -0.040 0.000 1.285 198 A HN 1.459 nan 8.150 nan 0.000 0.427 199 Y N -0.426 119.876 120.300 0.003 0.000 2.320 199 Y HA 0.500 5.044 4.550 -0.011 0.000 0.324 199 Y C -0.277 175.707 175.900 0.140 0.000 1.190 199 Y CA 0.591 58.712 58.100 0.034 0.000 1.215 199 Y CB 1.302 39.755 38.460 -0.012 0.000 1.221 199 Y HN 0.635 nan 8.280 nan 0.000 0.486 200 Y N 2.537 122.949 120.300 0.186 0.000 2.353 200 Y HA 0.481 5.024 4.550 -0.013 0.000 0.340 200 Y C -0.711 175.262 175.900 0.121 0.000 0.972 200 Y CA -1.167 57.075 58.100 0.236 0.000 1.157 200 Y CB 0.590 39.238 38.460 0.312 0.000 1.157 200 Y HN 0.341 nan 8.280 nan 0.000 0.495 201 V N 8.196 127.886 119.914 -0.373 0.000 2.450 201 V HA 0.169 4.281 4.120 -0.014 0.000 0.281 201 V C -0.014 175.696 176.094 -0.639 0.000 1.019 201 V CA -0.054 61.947 62.300 -0.498 0.000 1.062 201 V CB -0.007 31.437 31.823 -0.632 0.000 0.979 201 V HN 0.623 nan 8.190 nan 0.000 0.477 202 V N 3.851 123.529 119.914 -0.394 0.000 2.581 202 V HA 0.598 4.710 4.120 -0.014 0.000 0.303 202 V C -1.002 174.887 176.094 -0.342 0.000 1.041 202 V CA -0.866 61.281 62.300 -0.254 0.000 0.907 202 V CB 1.715 33.557 31.823 0.032 0.000 0.994 202 V HN 0.575 nan 8.190 nan 0.000 0.442 203 Y N 3.801 124.070 120.300 -0.053 0.000 2.841 203 Y HA 0.523 5.065 4.550 -0.013 0.000 0.329 203 Y C 0.842 176.691 175.900 -0.084 0.000 1.062 203 Y CA -0.613 57.440 58.100 -0.078 0.000 1.281 203 Y CB 0.497 38.899 38.460 -0.097 0.000 1.147 203 Y HN 0.834 nan 8.280 nan 0.000 0.521 204 R N 1.776 122.320 120.500 0.073 0.000 2.590 204 R HA 0.575 4.906 4.340 -0.014 0.000 0.274 204 R C -0.268 175.979 176.300 -0.089 0.000 1.061 204 R CA -0.188 55.891 56.100 -0.037 0.000 1.081 204 R CB 0.538 30.828 30.300 -0.016 0.000 0.984 204 R HN 0.599 nan 8.270 nan 0.000 0.448 205 A N 3.382 126.079 122.820 -0.205 0.000 2.316 205 A HA 0.189 4.501 4.320 -0.014 0.000 0.284 205 A C -0.485 177.003 177.584 -0.160 0.000 1.115 205 A CA -0.516 51.413 52.037 -0.180 0.000 0.812 205 A CB 1.202 20.071 19.000 -0.219 0.000 1.064 205 A HN 0.743 nan 8.150 nan 0.000 0.489 206 Q N 1.731 121.450 119.800 -0.134 0.000 2.788 206 Q HA 0.139 4.471 4.340 -0.014 0.000 0.285 206 Q C 1.033 176.939 176.000 -0.155 0.000 1.063 206 Q CA 0.245 55.974 55.803 -0.123 0.000 0.958 206 Q CB 0.819 29.491 28.738 -0.110 0.000 1.211 206 Q HN 1.030 nan 8.270 nan 0.000 0.478 207 S N -0.336 115.290 115.700 -0.123 0.000 2.512 207 S HA -0.108 4.353 4.470 -0.014 0.000 0.253 207 S C 0.714 175.245 174.600 -0.115 0.000 0.984 207 S CA 1.106 59.248 58.200 -0.098 0.000 0.962 207 S CB -0.431 62.765 63.200 -0.007 0.000 0.747 207 S HN 0.469 nan 8.310 nan 0.000 0.525 208 T N -1.490 112.988 114.554 -0.127 0.000 3.170 208 T HA 0.653 4.995 4.350 -0.014 0.000 0.315 208 T C -1.476 173.201 174.700 -0.039 0.000 0.967 208 T CA -0.879 61.210 62.100 -0.019 0.000 1.024 208 T CB 1.886 70.812 68.868 0.097 0.000 1.018 208 T HN 0.064 nan 8.240 nan 0.000 0.449 209 D N 1.398 121.811 120.400 0.021 0.000 2.566 209 D HA 0.700 5.331 4.640 -0.014 0.000 0.254 209 D C -0.144 176.240 176.300 0.140 0.000 1.090 209 D CA -0.605 53.418 54.000 0.039 0.000 1.034 209 D CB 2.137 42.909 40.800 -0.046 0.000 1.434 209 D HN 0.879 nan 8.370 nan 0.000 0.509 210 A N 0.932 123.785 122.820 0.056 0.000 2.546 210 A HA 0.436 4.747 4.320 -0.014 0.000 0.243 210 A C -0.094 177.497 177.584 0.012 0.000 1.063 210 A CA 0.555 52.616 52.037 0.040 0.000 0.757 210 A CB -0.308 18.698 19.000 0.010 0.000 0.991 210 A HN 0.453 nan 8.150 nan 0.000 0.503 211 I N 1.841 122.441 120.570 0.050 0.000 2.692 211 I HA 0.427 4.589 4.170 -0.014 0.000 0.293 211 I C 0.011 176.275 176.117 0.246 0.000 1.200 211 I CA -0.351 60.957 61.300 0.014 0.000 1.036 211 I CB 2.893 40.861 38.000 -0.053 0.000 1.258 211 I HN 0.821 nan 8.210 nan 0.000 0.421 212 T N 2.873 117.561 114.554 0.224 0.000 2.906 212 T HA 0.685 5.026 4.350 -0.014 0.000 0.295 212 T C -1.149 173.694 174.700 0.237 0.000 1.075 212 T CA -0.788 61.502 62.100 0.316 0.000 1.005 212 T CB 2.254 71.216 68.868 0.158 0.000 1.136 212 T HN 0.287 nan 8.240 nan 0.000 0.498 213 L N 2.230 123.553 121.223 0.166 0.000 2.294 213 L HA 0.465 4.797 4.340 -0.014 0.000 0.283 213 L C -0.438 176.364 176.870 -0.113 0.000 1.015 213 L CA -0.435 54.275 54.840 -0.217 0.000 0.831 213 L CB 0.867 42.730 42.059 -0.328 0.000 1.217 213 L HN 0.821 nan 8.230 nan 0.000 0.420 214 D N 7.424 127.738 120.400 -0.144 0.000 2.346 214 D HA 0.118 4.750 4.640 -0.014 0.000 0.260 214 D C -1.639 174.605 176.300 -0.093 0.000 1.252 214 D CA -1.417 52.536 54.000 -0.079 0.000 0.895 214 D CB 1.715 42.478 40.800 -0.062 0.000 1.097 214 D HN 0.432 nan 8.370 nan 0.000 0.489 215 P HA -0.184 nan 4.420 nan 0.000 0.218 215 P C 1.038 178.310 177.300 -0.046 0.000 1.148 215 P CA 0.930 64.003 63.100 -0.045 0.000 0.822 215 P CB 0.543 32.233 31.700 -0.017 0.000 0.784 216 K N 0.031 120.408 120.400 -0.038 0.000 1.984 216 K HA -0.077 4.234 4.320 -0.014 0.000 0.209 216 K C 2.321 178.897 176.600 -0.040 0.000 1.046 216 K CA 2.301 58.570 56.287 -0.031 0.000 0.934 216 K CB -1.635 30.852 32.500 -0.021 0.000 0.717 216 K HN 0.325 nan 8.250 nan 0.000 0.438 217 T N -2.543 111.981 114.554 -0.050 0.000 3.014 217 T HA 0.093 4.435 4.350 -0.014 0.000 0.263 217 T C 1.504 176.154 174.700 -0.082 0.000 1.078 217 T CA 1.099 63.167 62.100 -0.054 0.000 1.135 217 T CB -0.112 68.730 68.868 -0.044 0.000 0.895 217 T HN 0.418 nan 8.240 nan 0.000 0.480 218 G N 1.425 110.150 108.800 -0.126 0.000 2.155 218 G HA2 -0.215 3.736 3.960 -0.014 0.000 0.257 218 G HA3 -0.215 3.736 3.960 -0.014 0.000 0.257 218 G C 0.006 174.751 174.900 -0.258 0.000 0.983 218 G CA 0.245 45.236 45.100 -0.182 0.000 0.676 218 G HN 0.619 nan 8.290 nan 0.000 0.528 219 K N -0.580 119.688 120.400 -0.221 0.000 2.118 219 K HA 0.697 5.009 4.320 -0.014 0.000 0.254 219 K C -0.088 176.360 176.600 -0.254 0.000 0.961 219 K CA -0.832 55.353 56.287 -0.169 0.000 0.876 219 K CB 0.962 33.440 32.500 -0.037 0.000 1.077 219 K HN 0.030 nan 8.250 nan 0.000 0.440 220 F N 0.262 120.221 119.950 0.015 0.000 2.377 220 F HA 0.325 4.844 4.527 -0.014 0.000 0.328 220 F C 0.353 176.234 175.800 0.135 0.000 1.094 220 F CA -0.547 57.481 58.000 0.047 0.000 1.093 220 F CB 1.193 40.248 39.000 0.093 0.000 1.214 220 F HN -0.041 nan 8.300 nan 0.000 0.518 221 V N 1.731 121.782 119.914 0.228 0.000 2.524 221 V HA 0.300 4.412 4.120 -0.014 0.000 0.297 221 V C -0.819 175.126 176.094 -0.249 0.000 1.035 221 V CA -1.048 61.264 62.300 0.020 0.000 0.867 221 V CB 1.721 33.557 31.823 0.022 0.000 1.004 221 V HN 0.786 nan 8.190 nan 0.000 0.426 222 S N 3.618 118.974 115.700 -0.573 0.000 2.513 222 S HA 0.488 4.950 4.470 -0.014 0.000 0.276 222 S C -0.215 174.234 174.600 -0.252 0.000 1.254 222 S CA -0.715 57.093 58.200 -0.655 0.000 1.053 222 S CB 1.020 63.588 63.200 -1.053 0.000 0.958 222 S HN 0.759 nan 8.310 nan 0.000 0.491 223 K N 1.880 122.187 120.400 -0.154 0.000 2.511 223 K HA -0.029 4.282 4.320 -0.014 0.000 0.280 223 K C -0.782 175.780 176.600 -0.062 0.000 1.008 223 K CA 0.079 56.321 56.287 -0.075 0.000 1.050 223 K CB 0.047 32.520 32.500 -0.045 0.000 0.889 223 K HN 0.577 nan 8.250 nan 0.000 0.484 224 D N 3.451 123.827 120.400 -0.041 0.000 2.389 224 D HA 0.121 4.753 4.640 -0.014 0.000 0.247 224 D C -0.302 175.973 176.300 -0.041 0.000 1.128 224 D CA 0.262 54.244 54.000 -0.031 0.000 0.884 224 D CB 0.719 41.512 40.800 -0.012 0.000 1.194 224 D HN 0.340 nan 8.370 nan 0.000 0.441 225 R N 2.759 123.224 120.500 -0.058 0.000 2.388 225 R HA 0.283 4.615 4.340 -0.014 0.000 0.314 225 R C -0.198 176.022 176.300 -0.133 0.000 0.959 225 R CA -0.834 55.216 56.100 -0.083 0.000 0.851 225 R CB 1.135 31.384 30.300 -0.084 0.000 1.168 225 R HN 0.349 nan 8.270 nan 0.000 0.472 226 M N 2.912 122.432 119.600 -0.133 0.000 2.245 226 M HA 0.190 4.662 4.480 -0.014 0.000 0.344 226 M C 0.448 176.575 176.300 -0.288 0.000 1.170 226 M CA -0.198 54.984 55.300 -0.198 0.000 1.135 226 M CB 0.578 33.098 32.600 -0.133 0.000 1.574 226 M HN 0.377 nan 8.290 nan 0.000 0.452 227 V N -0.256 119.377 119.914 -0.467 0.000 2.971 227 V HA 0.953 5.065 4.120 -0.014 0.000 0.309 227 V C -0.606 175.189 176.094 -0.499 0.000 1.130 227 V CA -1.355 60.666 62.300 -0.464 0.000 0.964 227 V CB 1.423 32.944 31.823 -0.503 0.000 1.029 227 V HN 0.961 nan 8.190 nan 0.000 0.427 228 A N 2.585 125.224 122.820 -0.302 0.000 2.309 228 A HA 0.786 5.098 4.320 -0.014 0.000 0.298 228 A C -0.102 177.568 177.584 0.144 0.000 1.165 228 A CA -0.226 51.675 52.037 -0.226 0.000 0.821 228 A CB 0.470 19.241 19.000 -0.381 0.000 1.102 228 A HN 1.199 nan 8.150 nan 0.000 0.500 229 D N 0.792 121.364 120.400 0.286 0.000 2.411 229 D HA 0.134 4.765 4.640 -0.014 0.000 0.251 229 D C 0.767 177.029 176.300 -0.064 0.000 1.201 229 D CA -0.693 53.457 54.000 0.249 0.000 0.996 229 D CB 0.073 41.030 40.800 0.261 0.000 1.101 229 D HN 0.368 nan 8.370 nan 0.000 0.504 230 F N 0.222 119.757 119.950 -0.692 0.000 2.120 230 F HA -0.226 4.292 4.527 -0.015 0.000 0.300 230 F C 2.024 177.613 175.800 -0.352 0.000 1.095 230 F CA 1.688 59.129 58.000 -0.932 0.000 1.249 230 F CB 0.069 38.306 39.000 -1.271 0.000 0.995 230 F HN 0.209 nan 8.300 nan 0.000 0.480 231 E N -0.112 119.960 120.200 -0.214 0.000 2.038 231 E HA -0.293 4.049 4.350 -0.014 0.000 0.195 231 E C 2.119 178.611 176.600 -0.179 0.000 1.000 231 E CA 1.819 58.091 56.400 -0.214 0.000 0.803 231 E CB -1.198 28.480 29.700 -0.037 0.000 0.750 231 E HN 0.666 nan 8.360 nan 0.000 0.448 232 Y N 1.034 121.241 120.300 -0.155 0.000 2.081 232 Y HA -0.341 4.200 4.550 -0.014 0.000 0.280 232 Y C 2.324 178.141 175.900 -0.137 0.000 1.163 232 Y CA 2.083 60.126 58.100 -0.095 0.000 1.135 232 Y CB -0.230 38.227 38.460 -0.006 0.000 0.970 232 Y HN 0.090 nan 8.280 nan 0.000 0.498 233 A N -0.262 122.640 122.820 0.137 0.000 1.892 233 A HA -0.263 4.049 4.320 -0.014 0.000 0.218 233 A C 2.169 179.688 177.584 -0.109 0.000 1.188 233 A CA 2.665 54.731 52.037 0.047 0.000 0.631 233 A CB -1.608 17.438 19.000 0.077 0.000 0.822 233 A HN 0.588 nan 8.150 nan 0.000 0.447 234 V N -2.443 117.255 119.914 -0.360 0.000 3.217 234 V HA 0.004 4.116 4.120 -0.014 0.000 0.264 234 V C 1.668 177.633 176.094 -0.215 0.000 1.135 234 V CA 1.908 64.001 62.300 -0.345 0.000 1.142 234 V CB -1.227 30.229 31.823 -0.611 0.000 0.754 234 V HN 0.706 nan 8.190 nan 0.000 0.484 235 T N -3.525 110.913 114.554 -0.193 0.000 3.174 235 T HA 0.460 4.802 4.350 -0.014 0.000 0.269 235 T C 1.540 176.153 174.700 -0.144 0.000 1.017 235 T CA 0.500 62.504 62.100 -0.161 0.000 0.899 235 T CB 0.063 68.822 68.868 -0.182 0.000 1.077 235 T HN 1.408 nan 8.240 nan 0.000 0.552 236 G N 0.793 109.538 108.800 -0.092 0.000 2.212 236 G HA2 0.019 3.971 3.960 -0.014 0.000 0.267 236 G HA3 0.019 3.971 3.960 -0.014 0.000 0.267 236 G C 1.120 175.942 174.900 -0.130 0.000 1.002 236 G CA 0.620 45.689 45.100 -0.051 0.000 0.729 236 G HN 1.862 nan 8.290 nan 0.000 0.517 237 G N -1.730 106.828 108.800 -0.404 0.000 2.231 237 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.206 237 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.206 237 G C 0.967 175.472 174.900 -0.660 0.000 0.996 237 G CA 0.999 45.512 45.100 -0.979 0.000 0.645 237 G HN 0.586 nan 8.290 nan 0.000 0.498 238 E N 0.525 120.512 120.200 -0.356 0.000 2.021 238 E HA -0.101 4.240 4.350 -0.014 0.000 0.200 238 E C 1.691 178.152 176.600 -0.232 0.000 1.015 238 E CA 1.534 57.797 56.400 -0.228 0.000 0.824 238 E CB -0.056 29.552 29.700 -0.152 0.000 0.762 238 E HN 0.675 nan 8.360 nan 0.000 0.454 239 Q N -1.457 118.207 119.800 -0.227 0.000 2.665 239 Q HA 0.462 4.793 4.340 -0.014 0.000 0.176 239 Q C 0.375 176.271 176.000 -0.172 0.000 1.025 239 Q CA 0.304 56.009 55.803 -0.163 0.000 0.953 239 Q CB 0.974 29.646 28.738 -0.110 0.000 2.143 239 Q HN 0.321 nan 8.270 nan 0.000 0.464 240 G N 0.105 108.868 108.800 -0.062 0.000 2.641 240 G HA2 -0.147 3.805 3.960 -0.014 0.000 0.254 240 G HA3 -0.147 3.805 3.960 -0.014 0.000 0.254 240 G C -0.753 174.237 174.900 0.150 0.000 1.315 240 G CA -0.128 44.999 45.100 0.045 0.000 0.907 240 G HN 1.233 nan 8.290 nan 0.000 0.572 241 S N -1.854 114.053 115.700 0.344 0.000 2.550 241 S HA 0.684 5.146 4.470 -0.014 0.000 0.270 241 S C -1.121 173.775 174.600 0.494 0.000 1.145 241 S CA -0.663 57.784 58.200 0.411 0.000 0.852 241 S CB 2.252 65.549 63.200 0.162 0.000 1.119 241 S HN 1.602 nan 8.310 nan 0.000 0.465 242 L N 2.417 123.872 121.223 0.388 0.000 2.334 242 L HA 0.959 5.291 4.340 -0.014 0.000 0.275 242 L C -0.947 176.152 176.870 0.381 0.000 1.036 242 L CA -0.364 54.558 54.840 0.136 0.000 0.807 242 L CB 1.034 43.099 42.059 0.010 0.000 1.231 242 L HN 0.901 nan 8.230 nan 0.000 0.438 243 F N 1.153 121.076 119.950 -0.045 0.000 2.769 243 F HA 0.711 5.230 4.527 -0.014 0.000 0.313 243 F C -0.865 174.926 175.800 -0.016 0.000 1.146 243 F CA -1.468 56.525 58.000 -0.012 0.000 0.934 243 F CB 0.302 39.306 39.000 0.006 0.000 1.283 243 F HN 0.598 nan 8.300 nan 0.000 0.443 244 A N 1.833 124.693 122.820 0.066 0.000 2.454 244 A HA 0.692 5.004 4.320 -0.014 0.000 0.260 244 A C 0.449 178.002 177.584 -0.051 0.000 1.106 244 A CA 0.085 52.100 52.037 -0.036 0.000 0.780 244 A CB -0.541 18.481 19.000 0.036 0.000 1.044 244 A HN 1.777 nan 8.150 nan 0.000 0.498 245 A N 2.706 125.424 122.820 -0.169 0.000 2.406 245 A HA 0.479 4.791 4.320 -0.014 0.000 0.243 245 A C 0.884 178.478 177.584 0.018 0.000 1.082 245 A CA 0.407 52.378 52.037 -0.110 0.000 0.786 245 A CB 0.077 18.995 19.000 -0.137 0.000 1.029 245 A HN 1.298 nan 8.150 nan 0.000 0.495 246 S N -0.209 115.531 115.700 0.066 0.000 2.489 246 S HA 0.304 4.765 4.470 -0.014 0.000 0.277 246 S C 0.617 175.280 174.600 0.104 0.000 1.230 246 S CA -0.461 57.794 58.200 0.092 0.000 1.053 246 S CB 0.255 63.514 63.200 0.098 0.000 0.955 246 S HN 0.597 nan 8.310 nan 0.000 0.488 247 K N 2.545 123.028 120.400 0.139 0.000 2.373 247 K HA 0.116 4.428 4.320 -0.014 0.000 0.202 247 K C 0.103 176.877 176.600 0.290 0.000 1.025 247 K CA -0.202 56.211 56.287 0.209 0.000 1.115 247 K CB 0.279 32.902 32.500 0.204 0.000 0.858 247 K HN 0.671 nan 8.250 nan 0.000 0.525 248 D N 0.729 121.259 120.400 0.217 0.000 2.450 248 D HA -0.021 4.611 4.640 -0.014 0.000 0.247 248 D C 0.150 176.513 176.300 0.104 0.000 1.162 248 D CA 0.149 54.251 54.000 0.170 0.000 0.879 248 D CB 1.307 42.175 40.800 0.113 0.000 1.163 248 D HN 0.187 nan 8.370 nan 0.000 0.472 249 A N 3.246 126.087 122.820 0.034 0.000 2.387 249 A HA 0.082 4.394 4.320 -0.014 0.000 0.234 249 A C 2.003 179.553 177.584 -0.057 0.000 1.253 249 A CA -0.172 51.858 52.037 -0.010 0.000 0.894 249 A CB 0.190 19.169 19.000 -0.034 0.000 0.963 249 A HN 0.541 nan 8.150 nan 0.000 0.508 250 S N 1.029 116.703 115.700 -0.042 0.000 2.370 250 S HA -0.231 4.231 4.470 -0.014 0.000 0.226 250 S C 2.211 176.780 174.600 -0.053 0.000 1.033 250 S CA 1.602 59.772 58.200 -0.051 0.000 1.011 250 S CB -0.376 62.805 63.200 -0.031 0.000 0.852 250 S HN 0.874 nan 8.310 nan 0.000 0.457 251 R N 1.772 122.251 120.500 -0.035 0.000 2.119 251 R HA -0.138 4.193 4.340 -0.014 0.000 0.246 251 R C 1.972 178.225 176.300 -0.079 0.000 1.146 251 R CA 1.639 57.711 56.100 -0.047 0.000 0.962 251 R CB -1.189 29.104 30.300 -0.012 0.000 0.863 251 R HN 0.337 nan 8.270 nan 0.000 0.442 252 L N 0.791 121.970 121.223 -0.073 0.000 2.089 252 L HA -0.228 4.104 4.340 -0.014 0.000 0.213 252 L C 2.746 179.582 176.870 -0.056 0.000 1.079 252 L CA 1.914 56.712 54.840 -0.071 0.000 0.758 252 L CB -0.641 41.252 42.059 -0.277 0.000 0.891 252 L HN 0.270 nan 8.230 nan 0.000 0.433 253 K N 0.993 121.345 120.400 -0.079 0.000 1.973 253 K HA -0.235 4.077 4.320 -0.014 0.000 0.210 253 K C 2.003 178.561 176.600 -0.070 0.000 1.045 253 K CA 1.950 58.199 56.287 -0.064 0.000 0.937 253 K CB -0.423 32.038 32.500 -0.065 0.000 0.721 253 K HN 0.269 nan 8.250 nan 0.000 0.438 254 E N -0.139 120.011 120.200 -0.084 0.000 2.130 254 E HA -0.278 4.063 4.350 -0.014 0.000 0.196 254 E C 1.932 178.445 176.600 -0.144 0.000 0.998 254 E CA 1.567 57.911 56.400 -0.093 0.000 0.806 254 E CB 0.015 29.666 29.700 -0.082 0.000 0.738 254 E HN 0.517 nan 8.360 nan 0.000 0.459 255 Q N -1.051 118.599 119.800 -0.250 0.000 2.036 255 Q HA -0.101 4.230 4.340 -0.014 0.000 0.195 255 Q C 1.453 177.155 176.000 -0.497 0.000 0.971 255 Q CA 1.314 56.827 55.803 -0.484 0.000 0.826 255 Q CB -0.002 28.196 28.738 -0.901 0.000 0.896 255 Q HN 0.414 nan 8.270 nan 0.000 0.449 256 Y N -0.745 119.559 120.300 0.006 0.000 2.458 256 Y HA 0.335 4.877 4.550 -0.014 0.000 0.256 256 Y C 1.206 177.105 175.900 -0.002 0.000 1.159 256 Y CA 0.148 58.262 58.100 0.023 0.000 1.261 256 Y CB 0.471 38.963 38.460 0.053 0.000 1.119 256 Y HN 0.250 nan 8.280 nan 0.000 0.524 257 G N 1.383 110.218 108.800 0.058 0.000 2.249 257 G HA2 -0.308 3.643 3.960 -0.014 0.000 0.273 257 G HA3 -0.308 3.643 3.960 -0.014 0.000 0.273 257 G C -0.034 174.882 174.900 0.027 0.000 1.036 257 G CA 0.150 45.266 45.100 0.027 0.000 0.824 257 G HN 0.376 nan 8.290 nan 0.000 0.504 258 I N 0.431 121.017 120.570 0.026 0.000 2.331 258 I HA 0.228 4.389 4.170 -0.014 0.000 0.292 258 I C 0.391 176.470 176.117 -0.063 0.000 0.998 258 I CA -0.689 60.602 61.300 -0.015 0.000 1.267 258 I CB 1.249 39.223 38.000 -0.042 0.000 1.386 258 I HN 0.167 nan 8.210 nan 0.000 0.476 259 D N 6.181 126.538 120.400 -0.072 0.000 2.371 259 D HA 0.163 4.794 4.640 -0.014 0.000 0.256 259 D C -0.749 175.464 176.300 -0.145 0.000 1.193 259 D CA -0.025 53.917 54.000 -0.097 0.000 0.881 259 D CB 0.905 41.649 40.800 -0.093 0.000 1.143 259 D HN 0.118 nan 8.370 nan 0.000 0.473 260 V N 7.240 127.066 119.914 -0.146 0.000 2.294 260 V HA 0.318 4.430 4.120 -0.014 0.000 0.272 260 V C -1.617 174.365 176.094 -0.186 0.000 1.027 260 V CA -1.374 60.815 62.300 -0.185 0.000 0.823 260 V CB 0.691 32.426 31.823 -0.146 0.000 1.030 260 V HN 0.651 nan 8.190 nan 0.000 0.457 261 P HA 0.084 nan 4.420 nan 0.000 0.269 261 P C -0.375 176.901 177.300 -0.040 0.000 1.209 261 P CA -0.182 62.798 63.100 -0.201 0.000 0.776 261 P CB 0.827 32.308 31.700 -0.365 0.000 0.876 262 D N 0.857 121.263 120.400 0.011 0.000 2.493 262 D HA 0.261 4.892 4.640 -0.014 0.000 0.240 262 D C 1.336 177.694 176.300 0.097 0.000 1.142 262 D CA 1.717 55.742 54.000 0.041 0.000 0.872 262 D CB -0.296 40.541 40.800 0.061 0.000 1.173 262 D HN 0.717 nan 8.370 nan 0.000 0.467 263 G N 2.188 110.945 108.800 -0.072 0.000 2.130 263 G HA2 -0.211 3.740 3.960 -0.014 0.000 0.216 263 G HA3 -0.211 3.740 3.960 -0.014 0.000 0.216 263 G C -0.207 174.193 174.900 -0.833 0.000 0.999 263 G CA -0.274 44.623 45.100 -0.339 0.000 0.686 263 G HN 0.367 nan 8.290 nan 0.000 0.515 264 F N -0.436 118.988 119.950 -0.875 0.000 2.532 264 F HA 0.855 5.374 4.527 -0.014 0.000 0.321 264 F C 0.225 175.448 175.800 -0.963 0.000 1.089 264 F CA -1.232 56.355 58.000 -0.687 0.000 0.926 264 F CB 1.502 40.294 39.000 -0.347 0.000 1.168 264 F HN -0.014 nan 8.300 nan 0.000 0.459 265 F N 0.002 119.944 119.950 -0.012 0.000 2.664 265 F HA 0.607 5.126 4.527 -0.014 0.000 0.329 265 F C -0.178 175.767 175.800 0.242 0.000 1.090 265 F CA -1.345 56.709 58.000 0.090 0.000 0.978 265 F CB 0.573 39.603 39.000 0.050 0.000 1.378 265 F HN 0.253 nan 8.300 nan 0.000 0.495 266 C N 0.869 120.430 119.300 0.435 0.000 2.534 266 C HA 0.293 4.745 4.460 -0.014 0.000 0.385 266 C C 0.448 175.644 174.990 0.343 0.000 1.264 266 C CA -0.663 58.571 59.018 0.359 0.000 2.342 266 C CB 0.081 27.987 27.740 0.278 0.000 2.564 266 C HN 0.664 nan 8.230 nan 0.000 0.603 267 E N 0.808 121.133 120.200 0.209 0.000 2.383 267 E HA 0.151 4.493 4.350 -0.014 0.000 0.264 267 E C 0.232 176.809 176.600 -0.038 0.000 1.050 267 E CA -0.065 56.332 56.400 -0.004 0.000 0.896 267 E CB 0.532 30.217 29.700 -0.024 0.000 0.982 267 E HN 0.496 nan 8.360 nan 0.000 0.424 268 R N 2.706 123.126 120.500 -0.133 0.000 2.438 268 R HA 0.149 4.481 4.340 -0.014 0.000 0.287 268 R C -0.464 175.777 176.300 -0.097 0.000 1.077 268 R CA -0.202 55.839 56.100 -0.099 0.000 1.034 268 R CB 0.681 30.912 30.300 -0.116 0.000 0.993 268 R HN 0.397 nan 8.270 nan 0.000 0.459 269 R N 3.848 124.291 120.500 -0.096 0.000 2.310 269 R HA 0.212 4.543 4.340 -0.014 0.000 0.324 269 R C -0.480 175.783 176.300 -0.061 0.000 0.955 269 R CA -0.760 55.280 56.100 -0.099 0.000 0.830 269 R CB 1.633 31.826 30.300 -0.178 0.000 1.154 269 R HN 0.626 nan 8.270 nan 0.000 0.458 270 R N 1.586 122.076 120.500 -0.018 0.000 2.404 270 R HA 0.209 4.541 4.340 -0.014 0.000 0.291 270 R C -0.357 176.006 176.300 0.105 0.000 1.025 270 R CA -0.188 55.916 56.100 0.008 0.000 0.991 270 R CB 1.114 31.400 30.300 -0.024 0.000 1.053 270 R HN 0.615 nan 8.270 nan 0.000 0.479 271 T N 0.551 115.162 114.554 0.096 0.000 2.875 271 T HA 0.712 5.053 4.350 -0.014 0.000 0.284 271 T C -0.331 174.340 174.700 -0.049 0.000 0.995 271 T CA -0.742 61.413 62.100 0.092 0.000 1.060 271 T CB 1.737 70.647 68.868 0.069 0.000 0.967 271 T HN 0.636 nan 8.240 nan 0.000 0.476 272 A N 3.941 126.690 122.820 -0.117 0.000 2.430 272 A HA 0.843 5.155 4.320 -0.014 0.000 0.300 272 A C -0.388 177.124 177.584 -0.120 0.000 1.124 272 A CA -1.193 50.787 52.037 -0.094 0.000 0.766 272 A CB 1.511 20.489 19.000 -0.036 0.000 1.328 272 A HN 0.865 nan 8.150 nan 0.000 0.424 273 M N 1.469 121.024 119.600 -0.075 0.000 2.321 273 M HA 0.458 4.929 4.480 -0.014 0.000 0.315 273 M C 0.108 176.506 176.300 0.164 0.000 1.052 273 M CA -0.312 54.989 55.300 0.003 0.000 0.936 273 M CB 1.461 33.961 32.600 -0.167 0.000 1.639 273 M HN 0.840 nan 8.290 nan 0.000 0.433 274 G N 1.503 110.458 108.800 0.257 0.000 2.377 274 G HA2 0.579 4.531 3.960 -0.014 0.000 0.316 274 G HA3 0.579 4.531 3.960 -0.014 0.000 0.316 274 G C 0.125 175.158 174.900 0.220 0.000 1.115 274 G CA -0.452 44.785 45.100 0.229 0.000 0.952 274 G HN 0.895 nan 8.290 nan 0.000 0.441 275 G N 2.808 111.718 108.800 0.184 0.000 2.503 275 G HA2 0.574 4.526 3.960 -0.014 0.000 0.257 275 G HA3 0.574 4.526 3.960 -0.014 0.000 0.257 275 G C -2.225 172.561 174.900 -0.190 0.000 1.214 275 G CA -1.124 43.871 45.100 -0.175 0.000 0.839 275 G HN 0.482 nan 8.290 nan 0.000 0.559 276 P HA 0.019 nan 4.420 nan 0.000 0.270 276 P C 0.379 177.640 177.300 -0.065 0.000 1.242 276 P CA -0.363 62.618 63.100 -0.199 0.000 0.768 276 P CB 0.985 32.554 31.700 -0.219 0.000 0.820 277 F N 5.054 124.904 119.950 -0.168 0.000 2.126 277 F HA -0.213 4.305 4.527 -0.015 0.000 0.299 277 F C 2.358 178.119 175.800 -0.064 0.000 1.096 277 F CA 1.941 59.882 58.000 -0.098 0.000 1.255 277 F CB -1.025 37.927 39.000 -0.081 0.000 0.997 277 F HN 0.409 nan 8.300 nan 0.000 0.479 278 A N -0.271 122.468 122.820 -0.135 0.000 1.986 278 A HA -0.207 4.105 4.320 -0.014 0.000 0.220 278 A C 2.115 179.585 177.584 -0.190 0.000 1.171 278 A CA 1.948 53.877 52.037 -0.180 0.000 0.640 278 A CB -1.078 17.887 19.000 -0.059 0.000 0.811 278 A HN 0.465 nan 8.150 nan 0.000 0.451 279 L N -0.140 120.994 121.223 -0.149 0.000 2.102 279 L HA 0.048 4.379 4.340 -0.014 0.000 0.202 279 L C 1.695 178.486 176.870 -0.133 0.000 1.076 279 L CA 2.145 56.915 54.840 -0.118 0.000 0.761 279 L CB -0.857 41.134 42.059 -0.113 0.000 0.921 279 L HN 0.430 nan 8.230 nan 0.000 0.444 280 N N -0.383 118.232 118.700 -0.141 0.000 2.381 280 N HA -0.100 4.632 4.740 -0.014 0.000 0.182 280 N C 1.822 177.259 175.510 -0.123 0.000 1.025 280 N CA 0.871 53.878 53.050 -0.072 0.000 0.888 280 N CB -0.162 38.350 38.487 0.041 0.000 0.965 280 N HN 0.500 nan 8.380 nan 0.000 0.438 281 A N 2.300 124.900 122.820 -0.368 0.000 1.851 281 A HA -0.104 4.208 4.320 -0.014 0.000 0.216 281 A C -0.187 177.288 177.584 -0.181 0.000 1.195 281 A CA 1.325 53.117 52.037 -0.409 0.000 0.622 281 A CB -1.566 17.041 19.000 -0.655 0.000 0.831 281 A HN 0.196 nan 8.150 nan 0.000 0.444 282 P HA -0.133 nan 4.420 nan 0.000 0.219 282 P C 1.418 179.014 177.300 0.493 0.000 1.146 282 P CA 1.130 64.253 63.100 0.038 0.000 0.808 282 P CB -0.153 31.670 31.700 0.206 0.000 0.779 283 I N -1.191 119.560 120.570 0.303 0.000 2.277 283 I HA -0.137 4.025 4.170 -0.014 0.000 0.243 283 I C 2.756 179.119 176.117 0.410 0.000 1.094 283 I CA 1.168 62.733 61.300 0.442 0.000 1.393 283 I CB -0.566 37.571 38.000 0.228 0.000 1.078 283 I HN -0.187 nan 8.210 nan 0.000 0.417 284 M N 0.515 120.256 119.600 0.234 0.000 2.149 284 M HA -0.186 4.286 4.480 -0.014 0.000 0.261 284 M C 2.449 178.874 176.300 0.209 0.000 1.064 284 M CA 1.881 57.300 55.300 0.199 0.000 1.102 284 M CB -0.485 32.203 32.600 0.148 0.000 1.369 284 M HN 0.298 nan 8.290 nan 0.000 0.408 285 A N -0.509 122.443 122.820 0.219 0.000 2.076 285 A HA -0.081 4.230 4.320 -0.014 0.000 0.220 285 A C 2.114 179.867 177.584 0.283 0.000 1.160 285 A CA 1.597 53.779 52.037 0.241 0.000 0.653 285 A CB -0.611 18.532 19.000 0.238 0.000 0.801 285 A HN 0.356 nan 8.150 nan 0.000 0.455 286 V N -1.492 118.624 119.914 0.337 0.000 2.922 286 V HA 0.058 4.170 4.120 -0.014 0.000 0.242 286 V C 2.832 178.992 176.094 0.110 0.000 1.094 286 V CA 0.981 63.399 62.300 0.196 0.000 1.106 286 V CB -0.686 31.258 31.823 0.202 0.000 0.799 286 V HN 0.532 nan 8.190 nan 0.000 0.474 287 A N 0.148 123.088 122.820 0.200 0.000 1.892 287 A HA -0.332 3.979 4.320 -0.014 0.000 0.218 287 A C 2.150 179.741 177.584 0.013 0.000 1.188 287 A CA 2.537 54.640 52.037 0.110 0.000 0.631 287 A CB -0.591 18.522 19.000 0.188 0.000 0.822 287 A HN 0.496 nan 8.150 nan 0.000 0.447 288 Q N 0.178 120.013 119.800 0.059 0.000 2.030 288 Q HA -0.097 4.235 4.340 -0.014 0.000 0.204 288 Q C -0.581 175.408 176.000 -0.019 0.000 0.986 288 Q CA 2.493 58.319 55.803 0.039 0.000 0.843 288 Q CB -1.463 27.318 28.738 0.072 0.000 0.904 288 Q HN 0.450 nan 8.270 nan 0.000 0.420 289 P HA -0.145 nan 4.420 nan 0.000 0.216 289 P C 1.270 178.487 177.300 -0.139 0.000 1.150 289 P CA 1.290 64.352 63.100 -0.063 0.000 0.837 289 P CB -0.023 31.647 31.700 -0.049 0.000 0.786 290 V N -0.197 119.584 119.914 -0.222 0.000 2.343 290 V HA -0.252 3.859 4.120 -0.014 0.000 0.247 290 V C 2.473 178.363 176.094 -0.340 0.000 1.051 290 V CA 1.771 63.850 62.300 -0.369 0.000 1.036 290 V CB -0.916 30.528 31.823 -0.633 0.000 0.654 290 V HN 0.088 nan 8.190 nan 0.000 0.451 291 R N 0.266 120.588 120.500 -0.298 0.000 2.083 291 R HA -0.172 4.159 4.340 -0.014 0.000 0.237 291 R C 2.243 178.323 176.300 -0.367 0.000 1.137 291 R CA 1.758 57.596 56.100 -0.437 0.000 0.951 291 R CB -0.598 29.614 30.300 -0.146 0.000 0.851 291 R HN 0.554 nan 8.270 nan 0.000 0.434 292 N N 1.020 119.651 118.700 -0.114 0.000 2.104 292 N HA -0.202 4.530 4.740 -0.014 0.000 0.190 292 N C 1.654 177.121 175.510 -0.071 0.000 1.024 292 N CA 1.249 54.283 53.050 -0.026 0.000 0.853 292 N CB -0.219 38.253 38.487 -0.024 0.000 1.008 292 N HN 0.272 nan 8.380 nan 0.000 0.424 293 K N 1.426 121.756 120.400 -0.117 0.000 1.985 293 K HA -0.078 4.234 4.320 -0.014 0.000 0.210 293 K C 2.204 178.765 176.600 -0.064 0.000 1.047 293 K CA 1.327 57.561 56.287 -0.089 0.000 0.932 293 K CB -0.222 32.237 32.500 -0.068 0.000 0.716 293 K HN 0.281 nan 8.250 nan 0.000 0.439 294 I N -1.660 118.843 120.570 -0.111 0.000 2.361 294 I HA -0.206 3.956 4.170 -0.014 0.000 0.251 294 I C 1.372 177.544 176.117 0.092 0.000 1.133 294 I CA 1.184 62.502 61.300 0.029 0.000 1.413 294 I CB -0.506 37.313 38.000 -0.302 0.000 1.073 294 I HN 0.082 nan 8.210 nan 0.000 0.424 295 Y N 2.331 122.650 120.300 0.032 0.000 2.439 295 Y HA -0.073 4.469 4.550 -0.014 0.000 0.292 295 Y C 2.902 178.739 175.900 -0.106 0.000 1.130 295 Y CA 0.477 58.591 58.100 0.022 0.000 1.254 295 Y CB -0.868 37.604 38.460 0.020 0.000 1.000 295 Y HN 0.464 nan 8.280 nan 0.000 0.554 296 S N -0.239 115.474 115.700 0.022 0.000 2.291 296 S HA -0.061 4.400 4.470 -0.014 0.000 0.185 296 S C 1.993 176.539 174.600 -0.091 0.000 0.996 296 S CA 0.472 58.628 58.200 -0.073 0.000 0.997 296 S CB -0.670 62.477 63.200 -0.087 0.000 0.899 296 S HN 0.212 nan 8.310 nan 0.000 0.493 297 K N 0.449 120.736 120.400 -0.188 0.000 2.127 297 K HA -0.165 4.146 4.320 -0.014 0.000 0.208 297 K C 0.337 176.651 176.600 -0.476 0.000 1.047 297 K CA 1.591 57.637 56.287 -0.401 0.000 0.927 297 K CB -0.279 31.823 32.500 -0.663 0.000 0.716 297 K HN 0.585 nan 8.250 nan 0.000 0.450 298 Y N -0.673 119.689 120.300 0.103 0.000 2.774 298 Y HA 0.372 4.914 4.550 -0.014 0.000 0.305 298 Y C 1.099 177.040 175.900 0.069 0.000 1.067 298 Y CA -0.303 57.858 58.100 0.103 0.000 1.304 298 Y CB 0.204 38.764 38.460 0.168 0.000 1.209 298 Y HN 0.080 nan 8.280 nan 0.000 0.543 299 A N -0.560 122.356 122.820 0.161 0.000 2.024 299 A HA -0.283 4.029 4.320 -0.014 0.000 0.220 299 A C 1.905 179.548 177.584 0.099 0.000 1.164 299 A CA 1.589 53.719 52.037 0.155 0.000 0.643 299 A CB -0.846 18.216 19.000 0.103 0.000 0.806 299 A HN 0.677 nan 8.150 nan 0.000 0.451 300 Y N 1.523 121.826 120.300 0.005 0.000 2.165 300 Y HA -0.248 4.293 4.550 -0.014 0.000 0.286 300 Y C 2.716 178.598 175.900 -0.029 0.000 1.155 300 Y CA 2.541 60.636 58.100 -0.008 0.000 1.164 300 Y CB -0.189 38.243 38.460 -0.046 0.000 0.978 300 Y HN 0.425 nan 8.280 nan 0.000 0.513 301 T N -3.675 110.797 114.554 -0.137 0.000 3.022 301 T HA 0.103 4.445 4.350 -0.014 0.000 0.250 301 T C 1.209 175.706 174.700 -0.337 0.000 1.060 301 T CA 0.332 62.221 62.100 -0.351 0.000 1.013 301 T CB -0.670 67.834 68.868 -0.607 0.000 0.982 301 T HN 0.336 nan 8.240 nan 0.000 0.508 302 F N -0.212 119.728 119.950 -0.017 0.000 2.667 302 F HA 0.367 4.886 4.527 -0.013 0.000 0.288 302 F C 1.284 176.856 175.800 -0.380 0.000 1.086 302 F CA -0.824 57.137 58.000 -0.065 0.000 1.297 302 F CB 0.386 39.393 39.000 0.011 0.000 1.059 302 F HN 0.229 nan 8.300 nan 0.000 0.624 303 H N 2.241 121.115 119.070 -0.326 0.000 2.690 303 H HA 0.230 4.778 4.556 -0.014 0.000 0.289 303 H C -0.955 174.024 175.328 -0.581 0.000 1.089 303 H CA -0.114 55.689 56.048 -0.409 0.000 1.299 303 H CB 0.051 29.744 29.762 -0.116 0.000 1.405 303 H HN 0.097 nan 8.280 nan 0.000 0.463 304 H N 3.318 122.124 119.070 -0.440 0.000 2.637 304 H HA 0.164 4.712 4.556 -0.014 0.000 0.363 304 H C 0.659 175.736 175.328 -0.418 0.000 1.131 304 H CA -0.360 55.492 56.048 -0.328 0.000 1.183 304 H CB 2.281 31.956 29.762 -0.146 0.000 1.637 304 H HN 0.734 nan 8.280 nan 0.000 0.531 305 T N -1.559 112.906 114.554 -0.148 0.000 3.467 305 T HA 0.077 4.418 4.350 -0.014 0.000 0.258 305 T C 0.752 175.480 174.700 0.046 0.000 0.999 305 T CA 0.538 62.621 62.100 -0.027 0.000 1.148 305 T CB 0.045 68.877 68.868 -0.060 0.000 1.186 305 T HN 0.583 nan 8.240 nan 0.000 0.401 306 T N 0.053 114.588 114.554 -0.031 0.000 2.948 306 T HA 0.567 4.909 4.350 -0.014 0.000 0.285 306 T C 0.894 175.528 174.700 -0.110 0.000 1.019 306 T CA -0.970 61.103 62.100 -0.045 0.000 1.013 306 T CB 2.159 71.001 68.868 -0.045 0.000 1.117 306 T HN 0.265 nan 8.240 nan 0.000 0.533 307 R N -0.299 120.140 120.500 -0.103 0.000 2.120 307 R HA -0.003 4.329 4.340 -0.014 0.000 0.234 307 R C 1.753 178.028 176.300 -0.042 0.000 1.123 307 R CA 0.878 56.910 56.100 -0.114 0.000 0.975 307 R CB -0.698 29.580 30.300 -0.035 0.000 0.866 307 R HN 0.372 nan 8.270 nan 0.000 0.446 308 L N 0.814 122.021 121.223 -0.027 0.000 2.179 308 L HA -0.037 4.295 4.340 -0.014 0.000 0.208 308 L C 1.994 178.853 176.870 -0.017 0.000 1.096 308 L CA 1.309 56.148 54.840 -0.002 0.000 0.779 308 L CB -0.808 41.245 42.059 -0.010 0.000 0.922 308 L HN 0.149 nan 8.230 nan 0.000 0.443 309 N N 0.195 118.869 118.700 -0.043 0.000 2.069 309 N HA -0.232 4.500 4.740 -0.014 0.000 0.191 309 N C 1.759 177.230 175.510 -0.066 0.000 1.031 309 N CA 1.678 54.704 53.050 -0.041 0.000 0.852 309 N CB 0.082 38.544 38.487 -0.041 0.000 1.018 309 N HN 0.255 nan 8.380 nan 0.000 0.423 310 K N 0.140 120.462 120.400 -0.131 0.000 2.001 310 K HA -0.153 4.159 4.320 -0.014 0.000 0.208 310 K C 2.042 178.651 176.600 0.014 0.000 1.048 310 K CA 1.383 57.547 56.287 -0.206 0.000 0.932 310 K CB -0.291 31.778 32.500 -0.719 0.000 0.715 310 K HN 0.294 nan 8.250 nan 0.000 0.437 311 E N 1.391 121.718 120.200 0.213 0.000 2.086 311 E HA -0.288 4.054 4.350 -0.014 0.000 0.205 311 E C 1.818 178.399 176.600 -0.031 0.000 1.027 311 E CA 1.871 58.383 56.400 0.185 0.000 0.830 311 E CB 0.072 29.852 29.700 0.134 0.000 0.751 311 E HN 0.270 nan 8.360 nan 0.000 0.456 312 E N 0.244 120.422 120.200 -0.036 0.000 2.048 312 E HA -0.281 4.060 4.350 -0.014 0.000 0.202 312 E C 2.160 178.692 176.600 -0.114 0.000 1.021 312 E CA 1.953 58.321 56.400 -0.053 0.000 0.825 312 E CB -0.169 29.520 29.700 -0.018 0.000 0.756 312 E HN 0.270 nan 8.360 nan 0.000 0.454 313 K N 0.487 120.783 120.400 -0.173 0.000 2.009 313 K HA -0.144 4.168 4.320 -0.014 0.000 0.210 313 K C 2.263 178.422 176.600 -0.734 0.000 1.049 313 K CA 1.515 57.638 56.287 -0.275 0.000 0.929 313 K CB -0.324 31.913 32.500 -0.439 0.000 0.714 313 K HN -0.004 nan 8.250 nan 0.000 0.440 314 V N 2.180 121.558 119.914 -0.894 0.000 2.490 314 V HA -0.203 3.908 4.120 -0.014 0.000 0.250 314 V C 2.132 177.837 176.094 -0.648 0.000 1.061 314 V CA 1.536 63.092 62.300 -1.240 0.000 1.064 314 V CB -0.418 30.971 31.823 -0.724 0.000 0.670 314 V HN 0.290 nan 8.190 nan 0.000 0.461 315 K N 0.144 120.332 120.400 -0.353 0.000 2.147 315 K HA -0.162 4.150 4.320 -0.014 0.000 0.205 315 K C 1.704 178.269 176.600 -0.059 0.000 1.049 315 K CA 1.279 57.472 56.287 -0.157 0.000 0.936 315 K CB -0.136 32.306 32.500 -0.097 0.000 0.722 315 K HN 0.596 nan 8.250 nan 0.000 0.446 316 E N -0.412 119.745 120.200 -0.071 0.000 2.463 316 E HA -0.066 4.276 4.350 -0.014 0.000 0.191 316 E C -0.257 176.534 176.600 0.318 0.000 1.083 316 E CA 0.053 56.516 56.400 0.103 0.000 0.872 316 E CB 0.149 29.929 29.700 0.133 0.000 0.966 316 E HN 0.164 nan 8.360 nan 0.000 0.491 317 W N 0.036 121.389 121.300 0.089 0.000 2.516 317 W HA 0.238 4.890 4.660 -0.014 0.000 0.343 317 W C 1.212 177.807 176.519 0.127 0.000 1.094 317 W CA -1.414 55.997 57.345 0.110 0.000 1.250 317 W CB 1.039 30.562 29.460 0.105 0.000 1.308 317 W HN -0.213 nan 8.180 nan 0.000 0.588 318 S N 0.702 116.634 115.700 0.386 0.000 2.486 318 S HA 0.097 4.559 4.470 -0.014 0.000 0.220 318 S C -0.053 174.718 174.600 0.285 0.000 1.011 318 S CA 0.204 58.575 58.200 0.284 0.000 0.921 318 S CB 0.115 63.459 63.200 0.241 0.000 0.785 318 S HN 0.254 nan 8.310 nan 0.000 0.517 319 L N 0.460 121.885 121.223 0.336 0.000 2.482 319 L HA 0.640 4.971 4.340 -0.014 0.000 0.263 319 L C -1.759 175.375 176.870 0.441 0.000 0.957 319 L CA -0.701 54.310 54.840 0.284 0.000 0.836 319 L CB 1.719 43.795 42.059 0.028 0.000 1.324 319 L HN 0.077 nan 8.230 nan 0.000 0.406 320 C N 5.385 124.933 119.300 0.414 0.000 2.381 320 C HA 0.838 5.290 4.460 -0.014 0.000 0.328 320 C C -0.952 174.165 174.990 0.213 0.000 1.190 320 C CA -0.424 58.870 59.018 0.459 0.000 1.369 320 C CB 0.507 28.569 27.740 0.536 0.000 2.029 320 C HN 0.627 nan 8.230 nan 0.000 0.448 321 V N 6.081 126.062 119.914 0.112 0.000 2.398 321 V HA 0.661 4.773 4.120 -0.014 0.000 0.286 321 V C 0.722 176.774 176.094 -0.069 0.000 1.026 321 V CA -0.189 61.999 62.300 -0.187 0.000 0.868 321 V CB 1.457 33.169 31.823 -0.184 0.000 0.982 321 V HN 1.060 nan 8.190 nan 0.000 0.443 322 A N 4.052 126.844 122.820 -0.047 0.000 2.391 322 A HA 0.619 4.931 4.320 -0.014 0.000 0.316 322 A C 0.674 178.293 177.584 0.059 0.000 1.381 322 A CA -0.280 51.788 52.037 0.051 0.000 0.998 322 A CB -0.053 19.031 19.000 0.140 0.000 1.147 322 A HN 0.929 nan 8.150 nan 0.000 0.545 323 T N -0.364 114.193 114.554 0.004 0.000 2.816 323 T HA 0.586 4.928 4.350 -0.014 0.000 0.282 323 T C -0.562 174.206 174.700 0.113 0.000 0.993 323 T CA -0.392 61.738 62.100 0.050 0.000 0.994 323 T CB 1.346 70.179 68.868 -0.058 0.000 1.025 323 T HN 0.537 nan 8.240 nan 0.000 0.529 324 D N -0.509 119.988 120.400 0.162 0.000 2.937 324 D HA 0.425 5.057 4.640 -0.014 0.000 0.215 324 D C -1.576 174.833 176.300 0.182 0.000 1.274 324 D CA -0.563 53.528 54.000 0.153 0.000 0.869 324 D CB 1.877 42.727 40.800 0.083 0.000 1.675 324 D HN 0.529 nan 8.370 nan 0.000 0.538 325 V N 2.673 122.706 119.914 0.197 0.000 2.448 325 V HA 0.534 4.645 4.120 -0.014 0.000 0.295 325 V C 0.331 176.543 176.094 0.196 0.000 1.025 325 V CA -0.952 61.470 62.300 0.205 0.000 0.859 325 V CB 1.394 33.369 31.823 0.253 0.000 0.988 325 V HN 0.678 nan 8.190 nan 0.000 0.431 326 S N 2.688 118.498 115.700 0.183 0.000 2.523 326 S HA 0.287 4.749 4.470 -0.014 0.000 0.275 326 S C 0.316 175.113 174.600 0.329 0.000 1.281 326 S CA -0.289 58.037 58.200 0.209 0.000 1.050 326 S CB 0.697 64.012 63.200 0.191 0.000 0.937 326 S HN 0.911 nan 8.310 nan 0.000 0.492 327 D N 0.876 121.427 120.400 0.253 0.000 2.704 327 D HA -0.264 4.367 4.640 -0.014 0.000 0.232 327 D C 0.570 177.072 176.300 0.336 0.000 1.183 327 D CA 1.046 55.181 54.000 0.226 0.000 0.647 327 D CB -1.455 39.421 40.800 0.126 0.000 1.013 327 D HN 1.018 nan 8.370 nan 0.000 0.415 328 H N 0.325 119.536 119.070 0.234 0.000 2.289 328 H HA -0.161 4.387 4.556 -0.014 0.000 0.294 328 H C 1.373 176.844 175.328 0.240 0.000 1.095 328 H CA 2.677 58.873 56.048 0.247 0.000 1.256 328 H CB 0.120 29.989 29.762 0.178 0.000 1.359 328 H HN 0.206 nan 8.280 nan 0.000 0.487 329 D N -0.953 119.423 120.400 -0.040 0.000 2.117 329 D HA -0.142 4.489 4.640 -0.014 0.000 0.197 329 D C 2.308 178.549 176.300 -0.098 0.000 0.987 329 D CA 2.166 56.079 54.000 -0.146 0.000 0.829 329 D CB -0.762 40.002 40.800 -0.061 0.000 0.961 329 D HN 0.685 nan 8.370 nan 0.000 0.460 330 T N -2.693 111.812 114.554 -0.081 0.000 3.055 330 T HA -0.005 4.336 4.350 -0.014 0.000 0.265 330 T C 1.853 176.481 174.700 -0.121 0.000 1.111 330 T CA 0.317 62.335 62.100 -0.136 0.000 1.118 330 T CB -0.517 68.218 68.868 -0.220 0.000 0.909 330 T HN 0.080 nan 8.240 nan 0.000 0.501 331 F N -0.489 119.455 119.950 -0.012 0.000 2.473 331 F HA 0.340 4.858 4.527 -0.014 0.000 0.294 331 F C 0.861 176.650 175.800 -0.018 0.000 1.103 331 F CA -1.355 56.647 58.000 0.003 0.000 1.442 331 F CB 0.013 39.028 39.000 0.025 0.000 1.097 331 F HN 0.171 nan 8.300 nan 0.000 0.547 332 W N 5.811 127.051 121.300 -0.099 0.000 2.561 332 W HA -0.046 4.605 4.660 -0.014 0.000 0.343 332 W C -2.053 174.334 176.519 -0.220 0.000 1.190 332 W CA -1.718 55.490 57.345 -0.228 0.000 1.232 332 W CB -0.096 29.175 29.460 -0.315 0.000 1.195 332 W HN -0.149 nan 8.180 nan 0.000 0.571 333 P HA 0.015 nan 4.420 nan 0.000 0.271 333 P C 0.719 177.445 177.300 -0.956 0.000 1.233 333 P CA 0.700 63.258 63.100 -0.902 0.000 0.764 333 P CB 1.067 31.829 31.700 -1.562 0.000 0.825 334 G N 4.424 113.001 108.800 -0.372 0.000 2.432 334 G HA2 -0.237 3.715 3.960 -0.014 0.000 0.219 334 G HA3 -0.237 3.715 3.960 -0.014 0.000 0.219 334 G C 1.291 176.067 174.900 -0.207 0.000 1.135 334 G CA 0.036 45.036 45.100 -0.167 0.000 0.767 334 G HN 0.700 nan 8.290 nan 0.000 0.550 335 W N 0.254 121.438 121.300 -0.192 0.000 2.374 335 W HA 0.012 4.664 4.660 -0.014 0.000 0.288 335 W C 1.673 178.020 176.519 -0.287 0.000 1.218 335 W CA 0.469 57.699 57.345 -0.191 0.000 1.245 335 W CB -1.068 28.291 29.460 -0.169 0.000 1.126 335 W HN 0.165 nan 8.180 nan 0.000 0.545 336 L N 2.234 122.846 121.223 -1.018 0.000 2.083 336 L HA -0.122 4.210 4.340 -0.014 0.000 0.209 336 L C 3.040 179.671 176.870 -0.398 0.000 1.083 336 L CA 2.099 56.357 54.840 -0.969 0.000 0.752 336 L CB -1.030 40.046 42.059 -1.638 0.000 0.899 336 L HN -0.011 nan 8.230 nan 0.000 0.433 337 R N -0.469 119.862 120.500 -0.281 0.000 2.080 337 R HA -0.185 4.147 4.340 -0.014 0.000 0.236 337 R C 1.803 178.161 176.300 0.096 0.000 1.137 337 R CA 2.084 58.262 56.100 0.129 0.000 0.943 337 R CB -0.504 29.920 30.300 0.207 0.000 0.846 337 R HN 0.406 nan 8.270 nan 0.000 0.431 338 D N 0.990 121.420 120.400 0.049 0.000 2.144 338 D HA -0.183 4.449 4.640 -0.014 0.000 0.199 338 D C 1.981 178.314 176.300 0.055 0.000 0.984 338 D CA 0.971 55.011 54.000 0.068 0.000 0.834 338 D CB -0.238 40.608 40.800 0.076 0.000 0.955 338 D HN 0.304 nan 8.370 nan 0.000 0.465 339 L N 0.659 121.910 121.223 0.046 0.000 1.994 339 L HA -0.147 4.184 4.340 -0.014 0.000 0.208 339 L C 2.377 179.250 176.870 0.004 0.000 1.071 339 L CA 1.054 55.918 54.840 0.039 0.000 0.745 339 L CB -0.175 41.918 42.059 0.057 0.000 0.892 339 L HN -0.066 nan 8.230 nan 0.000 0.431 340 I N -0.743 119.820 120.570 -0.012 0.000 2.163 340 I HA -0.397 3.765 4.170 -0.014 0.000 0.243 340 I C 2.680 178.725 176.117 -0.120 0.000 1.085 340 I CA 1.470 62.730 61.300 -0.067 0.000 1.347 340 I CB -0.543 37.456 38.000 -0.002 0.000 1.044 340 I HN 0.462 nan 8.210 nan 0.000 0.408 341 C N 0.562 119.854 119.300 -0.014 0.000 2.413 341 C HA -0.215 4.236 4.460 -0.014 0.000 0.276 341 C C 2.630 177.601 174.990 -0.032 0.000 1.236 341 C CA 1.471 60.483 59.018 -0.009 0.000 1.735 341 C CB -1.015 26.778 27.740 0.090 0.000 2.031 341 C HN 0.584 nan 8.230 nan 0.000 0.474 342 D N 0.547 120.943 120.400 -0.006 0.000 2.104 342 D HA -0.174 4.458 4.640 -0.014 0.000 0.194 342 D C 2.063 178.349 176.300 -0.023 0.000 0.994 342 D CA 1.703 55.703 54.000 0.000 0.000 0.830 342 D CB -0.282 40.527 40.800 0.016 0.000 0.959 342 D HN 0.377 nan 8.370 nan 0.000 0.452 343 E N -0.162 120.011 120.200 -0.045 0.000 2.110 343 E HA -0.101 4.241 4.350 -0.014 0.000 0.193 343 E C 2.211 178.750 176.600 -0.102 0.000 0.988 343 E CA 0.775 57.142 56.400 -0.055 0.000 0.804 343 E CB -0.425 29.244 29.700 -0.053 0.000 0.745 343 E HN 0.416 nan 8.360 nan 0.000 0.458 344 L N -0.318 120.780 121.223 -0.208 0.000 2.083 344 L HA -0.162 4.169 4.340 -0.014 0.000 0.209 344 L C 2.404 179.227 176.870 -0.078 0.000 1.083 344 L CA 0.792 55.441 54.840 -0.320 0.000 0.752 344 L CB -0.324 41.385 42.059 -0.583 0.000 0.899 344 L HN 0.216 nan 8.230 nan 0.000 0.433 345 L N -0.514 120.689 121.223 -0.033 0.000 2.017 345 L HA -0.234 4.098 4.340 -0.014 0.000 0.208 345 L C 2.422 179.313 176.870 0.035 0.000 1.073 345 L CA 1.133 55.990 54.840 0.028 0.000 0.745 345 L CB -0.716 41.358 42.059 0.026 0.000 0.894 345 L HN 0.348 nan 8.230 nan 0.000 0.432 346 N N 0.260 118.971 118.700 0.018 0.000 2.036 346 N HA -0.224 4.508 4.740 -0.014 0.000 0.195 346 N C 1.818 177.351 175.510 0.039 0.000 1.037 346 N CA 1.654 54.718 53.050 0.024 0.000 0.855 346 N CB -0.402 38.095 38.487 0.016 0.000 1.033 346 N HN 0.341 nan 8.380 nan 0.000 0.423 347 M N -0.410 119.222 119.600 0.053 0.000 2.530 347 M HA -0.045 4.427 4.480 -0.014 0.000 0.261 347 M C 0.830 177.194 176.300 0.106 0.000 1.067 347 M CA 1.189 56.546 55.300 0.095 0.000 1.071 347 M CB -0.194 32.492 32.600 0.144 0.000 1.405 347 M HN 0.367 nan 8.290 nan 0.000 0.478 348 G N -0.349 108.509 108.800 0.096 0.000 2.141 348 G HA2 -0.237 3.715 3.960 -0.014 0.000 0.195 348 G HA3 -0.237 3.715 3.960 -0.014 0.000 0.195 348 G C -0.386 174.508 174.900 -0.009 0.000 1.012 348 G CA -0.735 44.386 45.100 0.035 0.000 0.696 348 G HN 0.441 nan 8.290 nan 0.000 0.508 349 Y N 0.688 120.913 120.300 -0.125 0.000 2.304 349 Y HA 0.501 5.043 4.550 -0.015 0.000 0.327 349 Y C 1.239 177.015 175.900 -0.206 0.000 1.209 349 Y CA 0.093 58.072 58.100 -0.201 0.000 1.299 349 Y CB 1.161 39.492 38.460 -0.214 0.000 1.249 349 Y HN 0.509 nan 8.280 nan 0.000 0.519 350 A N 5.629 128.294 122.820 -0.258 0.000 2.548 350 A HA 0.069 4.380 4.320 -0.014 0.000 0.247 350 A C -1.796 175.595 177.584 -0.322 0.000 1.067 350 A CA -1.019 50.782 52.037 -0.394 0.000 0.757 350 A CB -0.204 18.226 19.000 -0.949 0.000 0.996 350 A HN 0.654 nan 8.150 nan 0.000 0.504 351 P HA -0.213 nan 4.420 nan 0.000 0.215 351 P C 1.658 178.999 177.300 0.067 0.000 1.157 351 P CA 2.128 65.245 63.100 0.029 0.000 0.874 351 P CB -0.175 31.586 31.700 0.102 0.000 0.790 352 W N -1.537 119.850 121.300 0.145 0.000 2.338 352 W HA -0.181 4.473 4.660 -0.010 0.000 0.304 352 W C 2.037 178.671 176.519 0.191 0.000 1.212 352 W CA 0.606 58.030 57.345 0.133 0.000 1.264 352 W CB -2.012 27.511 29.460 0.105 0.000 1.142 352 W HN 0.078 nan 8.180 nan 0.000 0.512 353 W N 2.303 123.262 121.300 -0.569 0.000 2.381 353 W HA -0.149 4.503 4.660 -0.014 0.000 0.301 353 W C 2.452 178.944 176.519 -0.044 0.000 1.205 353 W CA 3.011 60.136 57.345 -0.366 0.000 1.285 353 W CB -0.555 28.389 29.460 -0.860 0.000 1.133 353 W HN -0.267 nan 8.180 nan 0.000 0.521 354 V N 1.143 121.187 119.914 0.217 0.000 2.407 354 V HA -0.299 3.813 4.120 -0.014 0.000 0.248 354 V C 2.285 178.419 176.094 0.067 0.000 1.055 354 V CA 2.218 64.623 62.300 0.175 0.000 1.049 354 V CB -1.128 30.786 31.823 0.151 0.000 0.662 354 V HN 0.050 nan 8.190 nan 0.000 0.455 355 K N 0.602 121.053 120.400 0.086 0.000 2.063 355 K HA -0.126 4.186 4.320 -0.014 0.000 0.208 355 K C 1.910 178.552 176.600 0.071 0.000 1.048 355 K CA 1.602 57.954 56.287 0.108 0.000 0.928 355 K CB -0.648 31.939 32.500 0.145 0.000 0.713 355 K HN 0.411 nan 8.250 nan 0.000 0.442 356 L N -0.537 120.689 121.223 0.004 0.000 1.989 356 L HA -0.179 4.152 4.340 -0.014 0.000 0.211 356 L C 2.289 179.061 176.870 -0.164 0.000 1.071 356 L CA 1.685 56.485 54.840 -0.066 0.000 0.749 356 L CB -0.598 41.377 42.059 -0.140 0.000 0.890 356 L HN 0.165 nan 8.230 nan 0.000 0.431 357 F N 0.860 120.498 119.950 -0.519 0.000 2.091 357 F HA -0.298 4.220 4.527 -0.015 0.000 0.299 357 F C 2.682 178.368 175.800 -0.190 0.000 1.103 357 F CA 2.185 59.900 58.000 -0.476 0.000 1.228 357 F CB -0.226 38.353 39.000 -0.702 0.000 0.984 357 F HN 0.148 nan 8.300 nan 0.000 0.477 358 E N -0.588 119.626 120.200 0.023 0.000 2.051 358 E HA -0.213 4.129 4.350 -0.014 0.000 0.192 358 E C 2.019 178.580 176.600 -0.064 0.000 0.991 358 E CA 2.010 58.416 56.400 0.009 0.000 0.799 358 E CB -0.330 29.428 29.700 0.097 0.000 0.748 358 E HN 0.414 nan 8.360 nan 0.000 0.449 359 T N 0.598 115.139 114.554 -0.023 0.000 2.759 359 T HA -0.192 4.150 4.350 -0.014 0.000 0.269 359 T C 2.048 176.698 174.700 -0.084 0.000 1.042 359 T CA 1.646 63.728 62.100 -0.030 0.000 1.140 359 T CB -0.435 68.478 68.868 0.075 0.000 0.864 359 T HN 0.331 nan 8.240 nan 0.000 0.455 360 S N 1.203 116.822 115.700 -0.135 0.000 2.442 360 S HA 0.034 4.496 4.470 -0.014 0.000 0.236 360 S C 1.601 176.163 174.600 -0.062 0.000 1.007 360 S CA 0.679 58.808 58.200 -0.119 0.000 0.965 360 S CB -0.576 62.499 63.200 -0.208 0.000 0.773 360 S HN 0.505 nan 8.310 nan 0.000 0.504 361 L N 0.779 121.902 121.223 -0.166 0.000 2.741 361 L HA 0.355 4.687 4.340 -0.014 0.000 0.237 361 L C 0.969 177.801 176.870 -0.063 0.000 1.178 361 L CA -0.041 54.708 54.840 -0.152 0.000 0.973 361 L CB 0.025 41.946 42.059 -0.230 0.000 1.255 361 L HN 0.456 nan 8.230 nan 0.000 0.498 362 K N -1.234 119.143 120.400 -0.037 0.000 2.625 362 K HA 0.238 4.549 4.320 -0.014 0.000 0.190 362 K C -0.190 176.390 176.600 -0.034 0.000 1.174 362 K CA -0.556 55.711 56.287 -0.033 0.000 1.103 362 K CB 0.568 33.042 32.500 -0.042 0.000 0.900 362 K HN -0.025 nan 8.250 nan 0.000 0.540 363 L N 2.988 124.224 121.223 0.022 0.000 2.452 363 L HA 0.261 4.593 4.340 -0.014 0.000 0.267 363 L C -2.356 174.560 176.870 0.077 0.000 1.188 363 L CA -1.373 53.480 54.840 0.022 0.000 0.821 363 L CB 0.354 42.448 42.059 0.058 0.000 1.102 363 L HN -0.001 nan 8.230 nan 0.000 0.470 364 P HA 0.243 nan 4.420 nan 0.000 0.274 364 P C -1.620 175.765 177.300 0.142 0.000 1.256 364 P CA -0.311 62.834 63.100 0.075 0.000 0.795 364 P CB 0.815 32.542 31.700 0.046 0.000 1.038 365 V N -1.315 118.691 119.914 0.154 0.000 2.656 365 V HA 0.533 4.645 4.120 -0.014 0.000 0.307 365 V C -1.459 174.749 176.094 0.190 0.000 1.051 365 V CA -1.032 61.370 62.300 0.170 0.000 0.893 365 V CB 1.553 33.429 31.823 0.089 0.000 0.999 365 V HN 0.441 nan 8.190 nan 0.000 0.426 366 Y N 4.043 124.395 120.300 0.086 0.000 2.335 366 Y HA 0.720 5.263 4.550 -0.011 0.000 0.339 366 Y C -0.322 175.545 175.900 -0.055 0.000 0.987 366 Y CA -0.602 57.560 58.100 0.103 0.000 1.140 366 Y CB 1.687 40.278 38.460 0.218 0.000 1.173 366 Y HN 0.681 nan 8.280 nan 0.000 0.486 367 V N 8.104 127.638 119.914 -0.633 0.000 2.385 367 V HA 0.258 4.370 4.120 -0.014 0.000 0.269 367 V C 0.841 176.379 176.094 -0.927 0.000 1.043 367 V CA 0.561 62.444 62.300 -0.695 0.000 0.906 367 V CB 0.780 32.194 31.823 -0.682 0.000 0.995 367 V HN 1.116 nan 8.190 nan 0.000 0.467 368 G N 4.020 112.382 108.800 -0.730 0.000 2.654 368 G HA2 0.309 4.261 3.960 -0.014 0.000 0.215 368 G HA3 0.309 4.261 3.960 -0.014 0.000 0.215 368 G C 0.424 175.033 174.900 -0.484 0.000 1.310 368 G CA 0.708 45.453 45.100 -0.592 0.000 0.866 368 G HN 1.076 nan 8.290 nan 0.000 0.558 369 A N 0.101 122.823 122.820 -0.163 0.000 3.005 369 A HA 0.620 4.931 4.320 -0.014 0.000 0.308 369 A C -1.539 176.163 177.584 0.197 0.000 1.173 369 A CA -0.530 51.539 52.037 0.053 0.000 0.796 369 A CB 1.190 20.299 19.000 0.182 0.000 1.325 369 A HN 0.195 nan 8.150 nan 0.000 0.467 370 P HA 0.053 nan 4.420 nan 0.000 0.222 370 P C 0.582 177.866 177.300 -0.027 0.000 1.147 370 P CA 1.910 64.937 63.100 -0.121 0.000 0.790 370 P CB 0.360 31.860 31.700 -0.333 0.000 0.780 371 A N -1.718 121.138 122.820 0.060 0.000 2.564 371 A HA 0.612 4.924 4.320 -0.014 0.000 0.291 371 A C -3.156 174.316 177.584 -0.186 0.000 1.102 371 A CA -1.499 50.419 52.037 -0.197 0.000 0.660 371 A CB 0.292 19.206 19.000 -0.144 0.000 1.283 371 A HN -0.259 nan 8.150 nan 0.000 0.430 372 P HA 0.392 nan 4.420 nan 0.000 0.268 372 P C -0.416 176.867 177.300 -0.028 0.000 1.204 372 P CA 1.139 64.131 63.100 -0.179 0.000 0.768 372 P CB 0.446 31.991 31.700 -0.260 0.000 0.842 373 E N -0.321 119.909 120.200 0.049 0.000 2.637 373 E HA -0.244 4.098 4.350 -0.014 0.000 0.265 373 E C -0.589 176.070 176.600 0.097 0.000 1.073 373 E CA 1.274 57.705 56.400 0.051 0.000 0.778 373 E CB -1.703 28.009 29.700 0.020 0.000 1.362 373 E HN 0.522 nan 8.360 nan 0.000 0.413 374 Q N -1.595 118.304 119.800 0.165 0.000 2.418 374 Q HA 0.670 5.002 4.340 -0.014 0.000 0.282 374 Q C 0.322 176.512 176.000 0.316 0.000 1.044 374 Q CA -0.522 55.437 55.803 0.261 0.000 0.813 374 Q CB 2.443 31.358 28.738 0.294 0.000 1.428 374 Q HN 0.273 nan 8.270 nan 0.000 0.402 375 G N 0.171 109.200 108.800 0.382 0.000 2.378 375 G HA2 -0.161 3.791 3.960 -0.014 0.000 0.198 375 G HA3 -0.161 3.791 3.960 -0.014 0.000 0.198 375 G C -1.143 173.921 174.900 0.274 0.000 1.223 375 G CA -0.195 44.998 45.100 0.153 0.000 1.088 375 G HN 0.902 nan 8.290 nan 0.000 0.530 376 H N -0.647 118.361 119.070 -0.104 0.000 2.604 376 H HA -0.051 4.497 4.556 -0.015 0.000 0.321 376 H C 0.270 175.640 175.328 0.070 0.000 1.132 376 H CA 1.503 57.551 56.048 -0.001 0.000 1.129 376 H CB -1.933 27.913 29.762 0.141 0.000 1.526 376 H HN 0.846 nan 8.280 nan 0.000 0.415 377 T N 0.699 115.228 114.554 -0.041 0.000 2.921 377 T HA 0.461 4.803 4.350 -0.014 0.000 0.297 377 T C -0.303 174.502 174.700 0.175 0.000 1.013 377 T CA -0.897 61.330 62.100 0.211 0.000 0.990 377 T CB 2.026 71.127 68.868 0.388 0.000 1.023 377 T HN 0.254 nan 8.240 nan 0.000 0.447 378 L N 4.340 125.816 121.223 0.421 0.000 2.264 378 L HA 0.605 4.937 4.340 -0.014 0.000 0.289 378 L C -1.153 175.984 176.870 0.445 0.000 1.044 378 L CA -0.406 54.716 54.840 0.470 0.000 0.807 378 L CB 0.269 42.642 42.059 0.523 0.000 1.192 378 L HN 0.588 nan 8.230 nan 0.000 0.425 379 L N 6.416 127.841 121.223 0.338 0.000 2.264 379 L HA 0.763 5.094 4.340 -0.014 0.000 0.289 379 L C 0.617 177.629 176.870 0.236 0.000 1.044 379 L CA -0.370 54.637 54.840 0.279 0.000 0.807 379 L CB 0.740 42.935 42.059 0.227 0.000 1.192 379 L HN 0.945 nan 8.230 nan 0.000 0.425 380 G N 2.281 111.232 108.800 0.251 0.000 2.719 380 G HA2 -0.178 3.774 3.960 -0.014 0.000 0.686 380 G HA3 -0.178 3.774 3.960 -0.014 0.000 0.686 380 G C -1.064 174.022 174.900 0.311 0.000 1.201 380 G CA -0.886 44.343 45.100 0.214 0.000 0.768 380 G HN 0.684 nan 8.290 nan 0.000 0.629 381 D N 2.341 122.891 120.400 0.250 0.000 2.316 381 D HA 0.496 5.128 4.640 -0.014 0.000 0.245 381 D C -0.761 175.513 176.300 -0.043 0.000 1.171 381 D CA -2.236 51.851 54.000 0.144 0.000 0.856 381 D CB 1.486 42.403 40.800 0.195 0.000 1.090 381 D HN 0.038 nan 8.370 nan 0.000 0.476 382 P HA -0.067 nan 4.420 nan 0.000 0.220 382 P C 1.175 178.376 177.300 -0.164 0.000 1.148 382 P CA 0.701 63.678 63.100 -0.205 0.000 0.803 382 P CB 0.348 31.865 31.700 -0.306 0.000 0.782 383 S N -1.336 114.306 115.700 -0.096 0.000 2.399 383 S HA -0.102 4.360 4.470 -0.014 0.000 0.231 383 S C 1.092 175.715 174.600 0.038 0.000 1.022 383 S CA 1.080 59.286 58.200 0.011 0.000 0.983 383 S CB -0.548 62.667 63.200 0.025 0.000 0.803 383 S HN 0.171 nan 8.310 nan 0.000 0.480 384 N N 1.041 119.692 118.700 -0.082 0.000 2.675 384 N HA 0.288 5.020 4.740 -0.014 0.000 0.254 384 N C -3.382 171.967 175.510 -0.268 0.000 1.224 384 N CA -1.531 51.422 53.050 -0.162 0.000 0.777 384 N CB 1.247 39.741 38.487 0.011 0.000 1.256 384 N HN -0.030 nan 8.380 nan 0.000 0.531 385 P HA 0.090 nan 4.420 nan 0.000 0.260 385 P C -0.461 176.712 177.300 -0.212 0.000 1.207 385 P CA 0.309 63.196 63.100 -0.356 0.000 0.780 385 P CB 0.286 31.686 31.700 -0.499 0.000 0.789 386 D N 2.029 122.367 120.400 -0.102 0.000 2.914 386 D HA 0.134 4.766 4.640 -0.014 0.000 0.349 386 D C -0.418 175.871 176.300 -0.018 0.000 1.540 386 D CA -0.221 53.750 54.000 -0.047 0.000 0.778 386 D CB -0.700 40.086 40.800 -0.024 0.000 1.213 386 D HN 0.017 nan 8.370 nan 0.000 0.451 387 L N 0.532 121.744 121.223 -0.019 0.000 2.439 387 L HA 0.488 4.820 4.340 -0.014 0.000 0.259 387 L C 0.488 177.358 176.870 -0.000 0.000 1.129 387 L CA 0.188 55.026 54.840 -0.002 0.000 0.803 387 L CB 1.054 43.116 42.059 0.006 0.000 1.161 387 L HN -0.001 nan 8.230 nan 0.000 0.462 388 E N 1.499 121.702 120.200 0.004 0.000 3.666 388 E HA 0.144 4.486 4.350 -0.014 0.000 0.230 388 E C 0.341 176.943 176.600 0.003 0.000 1.235 388 E CA 0.052 56.459 56.400 0.013 0.000 1.096 388 E CB 1.006 30.720 29.700 0.023 0.000 1.287 388 E HN 0.448 nan 8.360 nan 0.000 0.406 389 V N -1.463 118.440 119.914 -0.019 0.000 3.623 389 V HA 0.413 4.525 4.120 -0.014 0.000 0.271 389 V C 0.971 177.036 176.094 -0.049 0.000 1.248 389 V CA 0.923 63.196 62.300 -0.046 0.000 1.156 389 V CB -0.396 31.376 31.823 -0.085 0.000 0.870 389 V HN 0.512 nan 8.190 nan 0.000 0.453 390 G N 0.581 109.387 108.800 0.009 0.000 2.503 390 G HA2 -0.198 3.754 3.960 -0.014 0.000 0.235 390 G HA3 -0.198 3.754 3.960 -0.014 0.000 0.235 390 G C -0.472 174.396 174.900 -0.054 0.000 1.179 390 G CA -0.128 45.026 45.100 0.090 0.000 0.944 390 G HN 0.491 nan 8.290 nan 0.000 0.580 391 L N 0.921 122.013 121.223 -0.217 0.000 2.371 391 L HA 0.550 4.881 4.340 -0.014 0.000 0.272 391 L C 0.639 177.288 176.870 -0.369 0.000 1.124 391 L CA -0.116 54.440 54.840 -0.474 0.000 0.816 391 L CB 1.521 43.230 42.059 -0.583 0.000 1.129 391 L HN 0.541 nan 8.230 nan 0.000 0.448 392 S N 0.595 116.024 115.700 -0.451 0.000 2.532 392 S HA 0.116 4.578 4.470 -0.014 0.000 0.318 392 S C 1.070 175.409 174.600 -0.435 0.000 1.083 392 S CA -0.381 57.478 58.200 -0.569 0.000 1.131 392 S CB 0.980 63.563 63.200 -1.028 0.000 0.973 392 S HN 0.809 nan 8.310 nan 0.000 0.468 393 S N 4.168 119.699 115.700 -0.282 0.000 2.393 393 S HA -0.190 4.272 4.470 -0.014 0.000 0.234 393 S C 1.926 176.483 174.600 -0.071 0.000 1.064 393 S CA 1.876 59.985 58.200 -0.152 0.000 1.088 393 S CB -1.231 61.911 63.200 -0.097 0.000 0.939 393 S HN 0.844 nan 8.310 nan 0.000 0.448 394 G N 1.358 110.149 108.800 -0.015 0.000 2.776 394 G HA2 0.005 3.956 3.960 -0.014 0.000 0.209 394 G HA3 0.005 3.956 3.960 -0.014 0.000 0.209 394 G C 0.539 175.558 174.900 0.197 0.000 1.145 394 G CA -0.037 45.142 45.100 0.131 0.000 0.791 394 G HN 0.630 nan 8.290 nan 0.000 0.530 395 Q N 0.323 120.207 119.800 0.140 0.000 2.432 395 Q HA 0.112 4.443 4.340 -0.014 0.000 0.264 395 Q C 1.690 177.734 176.000 0.074 0.000 1.035 395 Q CA 0.427 56.308 55.803 0.129 0.000 0.908 395 Q CB 1.002 29.718 28.738 -0.037 0.000 1.280 395 Q HN 0.117 nan 8.270 nan 0.000 0.455 396 G N 2.075 110.925 108.800 0.083 0.000 2.498 396 G HA2 -0.080 3.872 3.960 -0.014 0.000 0.219 396 G HA3 -0.080 3.872 3.960 -0.014 0.000 0.219 396 G C 0.634 175.617 174.900 0.138 0.000 1.119 396 G CA 0.803 45.977 45.100 0.123 0.000 0.766 396 G HN 0.621 nan 8.290 nan 0.000 0.552 397 A N -0.116 122.771 122.820 0.112 0.000 2.568 397 A HA 0.424 4.736 4.320 -0.014 0.000 0.287 397 A C 1.833 179.440 177.584 0.038 0.000 0.967 397 A CA 0.951 53.070 52.037 0.137 0.000 1.004 397 A CB -0.428 18.766 19.000 0.322 0.000 1.233 397 A HN 0.279 nan 8.150 nan 0.000 0.513 398 T N -0.975 113.551 114.554 -0.045 0.000 2.869 398 T HA -0.226 4.116 4.350 -0.014 0.000 0.270 398 T C 1.337 175.994 174.700 -0.072 0.000 1.082 398 T CA 1.736 63.752 62.100 -0.140 0.000 1.123 398 T CB -0.470 68.302 68.868 -0.159 0.000 0.856 398 T HN 0.579 nan 8.240 nan 0.000 0.499 399 D N 1.569 121.969 120.400 0.000 0.000 2.162 399 D HA -0.030 4.602 4.640 -0.014 0.000 0.203 399 D C 2.176 178.489 176.300 0.021 0.000 0.967 399 D CA 0.498 54.513 54.000 0.026 0.000 0.840 399 D CB -0.720 40.114 40.800 0.058 0.000 0.972 399 D HN 0.433 nan 8.370 nan 0.000 0.482 400 L N -0.323 120.914 121.223 0.022 0.000 2.027 400 L HA -0.110 4.222 4.340 -0.014 0.000 0.206 400 L C 2.781 179.726 176.870 0.125 0.000 1.074 400 L CA 0.854 55.707 54.840 0.022 0.000 0.745 400 L CB -0.434 41.657 42.059 0.053 0.000 0.898 400 L HN -0.045 nan 8.230 nan 0.000 0.433 401 M N -0.221 119.458 119.600 0.131 0.000 2.080 401 M HA -0.133 4.339 4.480 -0.014 0.000 0.260 401 M C 2.412 178.913 176.300 0.336 0.000 1.068 401 M CA 1.996 57.415 55.300 0.198 0.000 1.109 401 M CB -1.876 30.568 32.600 -0.260 0.000 1.342 401 M HN 0.330 nan 8.290 nan 0.000 0.405 402 G N -0.370 108.532 108.800 0.170 0.000 2.418 402 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.217 402 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.217 402 G C 1.564 176.638 174.900 0.291 0.000 1.158 402 G CA 1.553 46.879 45.100 0.377 0.000 0.771 402 G HN 0.419 nan 8.290 nan 0.000 0.545 403 T N 1.567 116.221 114.554 0.165 0.000 2.674 403 T HA -0.091 4.251 4.350 -0.014 0.000 0.265 403 T C 2.224 177.050 174.700 0.211 0.000 1.039 403 T CA 0.963 63.140 62.100 0.129 0.000 1.150 403 T CB -0.345 68.472 68.868 -0.086 0.000 0.864 403 T HN 0.057 nan 8.240 nan 0.000 0.427 404 L N 1.351 122.703 121.223 0.214 0.000 2.021 404 L HA -0.120 4.212 4.340 -0.014 0.000 0.215 404 L C 2.332 179.429 176.870 0.379 0.000 1.074 404 L CA 1.937 56.971 54.840 0.323 0.000 0.760 404 L CB -1.388 40.874 42.059 0.338 0.000 0.889 404 L HN 0.297 nan 8.230 nan 0.000 0.433 405 L N -0.385 121.059 121.223 0.368 0.000 1.961 405 L HA -0.223 4.109 4.340 -0.014 0.000 0.210 405 L C 2.498 179.514 176.870 0.244 0.000 1.072 405 L CA 1.976 56.982 54.840 0.277 0.000 0.749 405 L CB -0.577 41.613 42.059 0.218 0.000 0.889 405 L HN 0.181 nan 8.230 nan 0.000 0.432 406 M N -0.729 118.986 119.600 0.192 0.000 2.159 406 M HA -0.153 4.319 4.480 -0.014 0.000 0.263 406 M C 2.611 178.885 176.300 -0.044 0.000 1.063 406 M CA 1.800 57.057 55.300 -0.072 0.000 1.110 406 M CB -1.862 30.692 32.600 -0.077 0.000 1.374 406 M HN 0.551 nan 8.290 nan 0.000 0.411 407 S N 0.698 116.583 115.700 0.307 0.000 2.356 407 S HA -0.091 4.370 4.470 -0.014 0.000 0.223 407 S C 1.887 176.740 174.600 0.423 0.000 1.032 407 S CA 0.944 59.463 58.200 0.531 0.000 1.005 407 S CB 0.025 63.669 63.200 0.740 0.000 0.867 407 S HN 0.275 nan 8.310 nan 0.000 0.449 408 I N 1.588 122.328 120.570 0.285 0.000 2.252 408 I HA -0.088 4.074 4.170 -0.014 0.000 0.245 408 I C 2.521 178.599 176.117 -0.065 0.000 1.102 408 I CA 1.390 62.697 61.300 0.010 0.000 1.385 408 I CB -2.111 35.718 38.000 -0.285 0.000 1.064 408 I HN 0.317 nan 8.210 nan 0.000 0.414 409 T N 0.716 115.266 114.554 -0.006 0.000 2.665 409 T HA -0.226 4.116 4.350 -0.014 0.000 0.268 409 T C 1.890 176.646 174.700 0.093 0.000 1.035 409 T CA 1.711 63.837 62.100 0.042 0.000 1.151 409 T CB -0.367 68.499 68.868 -0.004 0.000 0.862 409 T HN 0.164 nan 8.240 nan 0.000 0.438 410 Y N 0.886 121.304 120.300 0.197 0.000 2.200 410 Y HA 0.031 4.572 4.550 -0.014 0.000 0.290 410 Y C 2.199 178.173 175.900 0.123 0.000 1.137 410 Y CA 0.013 58.218 58.100 0.174 0.000 1.163 410 Y CB -1.155 37.413 38.460 0.181 0.000 0.988 410 Y HN 0.120 nan 8.280 nan 0.000 0.518 411 L N -0.394 120.972 121.223 0.238 0.000 2.012 411 L HA -0.170 4.162 4.340 -0.014 0.000 0.210 411 L C 2.182 179.040 176.870 -0.019 0.000 1.073 411 L CA 1.585 56.413 54.840 -0.021 0.000 0.748 411 L CB -1.116 40.787 42.059 -0.261 0.000 0.891 411 L HN 0.041 nan 8.230 nan 0.000 0.431 412 V N -0.241 119.679 119.914 0.009 0.000 2.287 412 V HA -0.367 3.745 4.120 -0.014 0.000 0.248 412 V C 2.694 178.864 176.094 0.127 0.000 1.053 412 V CA 2.309 64.631 62.300 0.036 0.000 1.027 412 V CB -0.601 31.271 31.823 0.082 0.000 0.646 412 V HN 0.610 nan 8.190 nan 0.000 0.447 413 M N -0.804 118.929 119.600 0.221 0.000 2.149 413 M HA -0.291 4.181 4.480 -0.014 0.000 0.261 413 M C 2.305 178.814 176.300 0.349 0.000 1.064 413 M CA 1.925 57.419 55.300 0.324 0.000 1.102 413 M CB -0.136 32.678 32.600 0.356 0.000 1.369 413 M HN 0.434 nan 8.290 nan 0.000 0.408 414 Q N -0.150 119.807 119.800 0.262 0.000 2.049 414 Q HA -0.109 4.223 4.340 -0.014 0.000 0.198 414 Q C 2.074 178.186 176.000 0.186 0.000 0.971 414 Q CA 1.297 57.274 55.803 0.290 0.000 0.833 414 Q CB -0.108 28.726 28.738 0.159 0.000 0.896 414 Q HN 0.529 nan 8.270 nan 0.000 0.434 415 L N 0.951 122.206 121.223 0.054 0.000 1.971 415 L HA -0.273 4.059 4.340 -0.014 0.000 0.215 415 L C 1.947 178.798 176.870 -0.033 0.000 1.072 415 L CA 1.334 56.151 54.840 -0.039 0.000 0.758 415 L CB -0.643 41.350 42.059 -0.109 0.000 0.889 415 L HN 0.224 nan 8.230 nan 0.000 0.433 416 D N -0.988 119.388 120.400 -0.040 0.000 2.133 416 D HA -0.197 4.435 4.640 -0.014 0.000 0.195 416 D C 1.943 178.061 176.300 -0.303 0.000 0.997 416 D CA 1.441 55.329 54.000 -0.187 0.000 0.840 416 D CB -0.156 40.493 40.800 -0.250 0.000 0.947 416 D HN 0.457 nan 8.370 nan 0.000 0.452 417 H N -2.068 117.048 119.070 0.077 0.000 2.652 417 H HA 0.226 4.773 4.556 -0.014 0.000 0.274 417 H C 1.201 176.576 175.328 0.078 0.000 1.021 417 H CA 1.149 57.242 56.048 0.074 0.000 1.187 417 H CB 0.982 30.795 29.762 0.085 0.000 1.505 417 H HN 0.259 nan 8.280 nan 0.000 0.530 418 T N -3.783 110.888 114.554 0.196 0.000 3.123 418 T HA 0.350 4.691 4.350 -0.014 0.000 0.266 418 T C 0.944 175.758 174.700 0.190 0.000 0.873 418 T CA 0.306 62.525 62.100 0.199 0.000 0.854 418 T CB 0.147 69.205 68.868 0.317 0.000 1.254 418 T HN 0.129 nan 8.240 nan 0.000 0.570 419 A N 2.341 125.197 122.820 0.061 0.000 2.992 419 A HA 0.598 4.910 4.320 -0.014 0.000 0.263 419 A C -1.505 175.835 177.584 -0.407 0.000 0.928 419 A CA -0.781 51.126 52.037 -0.216 0.000 1.061 419 A CB 0.449 19.316 19.000 -0.221 0.000 1.173 419 A HN 0.274 nan 8.150 nan 0.000 0.482 420 P HA -0.244 nan 4.420 nan 0.000 0.220 420 P C 0.988 178.205 177.300 -0.138 0.000 1.144 420 P CA 1.462 64.485 63.100 -0.128 0.000 0.800 420 P CB -0.448 31.232 31.700 -0.034 0.000 0.772 421 H N -1.195 117.854 119.070 -0.034 0.000 2.563 421 H HA 0.127 4.675 4.556 -0.014 0.000 0.272 421 H C 1.584 176.871 175.328 -0.067 0.000 1.005 421 H CA 0.237 56.262 56.048 -0.037 0.000 1.171 421 H CB -0.806 28.950 29.762 -0.009 0.000 1.351 421 H HN 0.218 nan 8.280 nan 0.000 0.602 422 L N 0.192 121.166 121.223 -0.416 0.000 2.515 422 L HA 0.020 4.352 4.340 -0.014 0.000 0.223 422 L C 1.882 178.509 176.870 -0.406 0.000 1.079 422 L CA -0.080 54.531 54.840 -0.382 0.000 0.857 422 L CB -0.074 41.702 42.059 -0.472 0.000 1.050 422 L HN 0.099 nan 8.230 nan 0.000 0.476 423 N N 0.495 119.006 118.700 -0.315 0.000 2.132 423 N HA -0.212 4.519 4.740 -0.014 0.000 0.191 423 N C 1.974 177.348 175.510 -0.228 0.000 1.015 423 N CA 1.901 54.789 53.050 -0.271 0.000 0.864 423 N CB -0.242 38.137 38.487 -0.181 0.000 1.006 423 N HN 0.375 nan 8.380 nan 0.000 0.430 424 S N 0.466 116.065 115.700 -0.169 0.000 2.500 424 S HA 0.014 4.476 4.470 -0.014 0.000 0.239 424 S C 1.570 176.091 174.600 -0.131 0.000 0.989 424 S CA 0.411 58.541 58.200 -0.118 0.000 0.951 424 S CB 0.000 63.158 63.200 -0.070 0.000 0.759 424 S HN 0.219 nan 8.310 nan 0.000 0.523 425 R N 0.619 120.992 120.500 -0.212 0.000 2.275 425 R HA 0.321 4.652 4.340 -0.014 0.000 0.199 425 R C 0.119 176.305 176.300 -0.189 0.000 0.989 425 R CA 0.382 56.365 56.100 -0.195 0.000 1.016 425 R CB -0.226 29.899 30.300 -0.291 0.000 0.918 425 R HN 0.522 nan 8.270 nan 0.000 0.473 426 I N 1.228 121.658 120.570 -0.233 0.000 2.460 426 I HA 0.196 4.358 4.170 -0.014 0.000 0.277 426 I C 0.589 176.640 176.117 -0.111 0.000 1.057 426 I CA -0.112 61.086 61.300 -0.171 0.000 1.179 426 I CB 1.302 39.159 38.000 -0.240 0.000 1.329 426 I HN -0.183 nan 8.210 nan 0.000 0.478 427 K N 2.799 123.157 120.400 -0.069 0.000 2.399 427 K HA 0.202 4.513 4.320 -0.014 0.000 0.196 427 K C -0.450 176.130 176.600 -0.032 0.000 1.103 427 K CA 0.149 56.407 56.287 -0.049 0.000 0.986 427 K CB 0.564 33.041 32.500 -0.039 0.000 0.952 427 K HN 0.712 nan 8.250 nan 0.000 0.541 428 D N -2.360 118.026 120.400 -0.024 0.000 2.768 428 D HA 0.125 4.756 4.640 -0.014 0.000 0.327 428 D C 0.631 176.928 176.300 -0.005 0.000 1.302 428 D CA -0.746 53.247 54.000 -0.012 0.000 0.897 428 D CB 0.251 41.048 40.800 -0.006 0.000 1.420 428 D HN -0.377 nan 8.370 nan 0.000 0.494 429 M N -0.664 118.938 119.600 0.003 0.000 2.065 429 M HA 0.021 4.493 4.480 -0.014 0.000 0.259 429 M C -1.008 175.300 176.300 0.014 0.000 1.071 429 M CA 1.677 56.983 55.300 0.010 0.000 1.109 429 M CB -2.454 30.156 32.600 0.016 0.000 1.313 429 M HN 0.378 nan 8.290 nan 0.000 0.408 430 P HA -0.144 nan 4.420 nan 0.000 0.212 430 P C 1.767 179.083 177.300 0.027 0.000 1.178 430 P CA 2.578 65.692 63.100 0.024 0.000 0.915 430 P CB -0.301 31.411 31.700 0.021 0.000 0.788 431 S N -0.747 114.966 115.700 0.021 0.000 2.402 431 S HA -0.210 4.251 4.470 -0.014 0.000 0.233 431 S C 2.023 176.651 174.600 0.047 0.000 1.030 431 S CA 1.461 59.678 58.200 0.028 0.000 1.003 431 S CB -1.493 61.709 63.200 0.003 0.000 0.813 431 S HN 0.142 nan 8.310 nan 0.000 0.477 432 A N 1.206 124.041 122.820 0.024 0.000 1.841 432 A HA -0.022 4.290 4.320 -0.014 0.000 0.214 432 A C 2.584 180.182 177.584 0.023 0.000 1.195 432 A CA 1.344 53.397 52.037 0.027 0.000 0.611 432 A CB -1.573 17.421 19.000 -0.010 0.000 0.835 432 A HN 0.699 nan 8.150 nan 0.000 0.443 433 C N -0.792 118.509 119.300 0.002 0.000 2.385 433 C HA -0.159 4.293 4.460 -0.014 0.000 0.275 433 C C 2.864 177.851 174.990 -0.004 0.000 1.207 433 C CA 1.297 60.306 59.018 -0.016 0.000 1.760 433 C CB -1.499 26.254 27.740 0.021 0.000 2.051 433 C HN 0.588 nan 8.230 nan 0.000 0.467 434 R N -0.500 120.024 120.500 0.041 0.000 2.083 434 R HA -0.173 4.158 4.340 -0.014 0.000 0.237 434 R C 2.118 178.454 176.300 0.061 0.000 1.137 434 R CA 2.024 58.160 56.100 0.061 0.000 0.951 434 R CB -0.667 29.679 30.300 0.076 0.000 0.851 434 R HN 0.601 nan 8.270 nan 0.000 0.434 435 F N 1.432 121.350 119.950 -0.053 0.000 2.075 435 F HA -0.218 4.301 4.527 -0.014 0.000 0.297 435 F C 2.073 177.811 175.800 -0.105 0.000 1.113 435 F CA 1.337 59.295 58.000 -0.069 0.000 1.218 435 F CB -0.631 38.304 39.000 -0.108 0.000 0.984 435 F HN -0.064 nan 8.300 nan 0.000 0.472 436 L N 1.025 122.047 121.223 -0.336 0.000 2.043 436 L HA -0.249 4.082 4.340 -0.014 0.000 0.212 436 L C 2.287 178.807 176.870 -0.583 0.000 1.075 436 L CA 2.468 56.942 54.840 -0.610 0.000 0.752 436 L CB -1.338 40.344 42.059 -0.628 0.000 0.891 436 L HN 0.415 nan 8.230 nan 0.000 0.432 437 D N -1.519 118.698 120.400 -0.305 0.000 2.092 437 D HA -0.237 4.395 4.640 -0.014 0.000 0.193 437 D C 2.111 178.411 176.300 0.000 0.000 0.994 437 D CA 1.617 55.592 54.000 -0.042 0.000 0.828 437 D CB 0.104 40.980 40.800 0.127 0.000 0.963 437 D HN 0.456 nan 8.370 nan 0.000 0.450 438 S N -1.219 114.433 115.700 -0.078 0.000 2.370 438 S HA -0.234 4.227 4.470 -0.014 0.000 0.226 438 S C 2.075 176.573 174.600 -0.171 0.000 1.033 438 S CA 1.313 59.480 58.200 -0.055 0.000 1.011 438 S CB -0.763 62.425 63.200 -0.019 0.000 0.852 438 S HN 0.505 nan 8.310 nan 0.000 0.457 439 Y N 0.392 120.388 120.300 -0.506 0.000 2.114 439 Y HA -0.173 4.369 4.550 -0.014 0.000 0.284 439 Y C 1.969 177.751 175.900 -0.197 0.000 1.143 439 Y CA 2.157 59.963 58.100 -0.490 0.000 1.135 439 Y CB -0.471 37.503 38.460 -0.811 0.000 0.980 439 Y HN 0.352 nan 8.280 nan 0.000 0.499 440 W N 1.137 122.236 121.300 -0.335 0.000 2.421 440 W HA -0.140 4.512 4.660 -0.014 0.000 0.270 440 W C 1.927 178.316 176.519 -0.215 0.000 1.233 440 W CA 1.212 58.335 57.345 -0.370 0.000 1.226 440 W CB -0.814 28.416 29.460 -0.384 0.000 1.121 440 W HN 0.360 nan 8.180 nan 0.000 0.579 441 Q N -0.740 119.036 119.800 -0.040 0.000 2.403 441 Q HA 0.178 4.509 4.340 -0.014 0.000 0.203 441 Q C 1.590 177.213 176.000 -0.629 0.000 0.932 441 Q CA 0.669 56.309 55.803 -0.272 0.000 0.945 441 Q CB -0.122 28.285 28.738 -0.552 0.000 1.045 441 Q HN 0.273 nan 8.270 nan 0.000 0.511 442 G N 0.831 109.233 108.800 -0.664 0.000 2.147 442 G HA2 -0.298 3.654 3.960 -0.014 0.000 0.244 442 G HA3 -0.298 3.654 3.960 -0.014 0.000 0.244 442 G C 0.056 174.659 174.900 -0.495 0.000 1.005 442 G CA 0.287 44.746 45.100 -1.068 0.000 0.713 442 G HN 0.635 nan 8.290 nan 0.000 0.515 443 H N -0.050 118.841 119.070 -0.299 0.000 2.524 443 H HA 0.241 4.789 4.556 -0.014 0.000 0.280 443 H C 0.670 175.945 175.328 -0.089 0.000 1.018 443 H CA 0.025 55.979 56.048 -0.157 0.000 1.165 443 H CB 0.498 30.205 29.762 -0.090 0.000 1.411 443 H HN 0.371 nan 8.280 nan 0.000 0.569 444 E N 0.543 120.750 120.200 0.013 0.000 2.299 444 E HA 0.027 4.369 4.350 -0.014 0.000 0.260 444 E C 0.734 177.361 176.600 0.044 0.000 0.944 444 E CA -0.376 56.069 56.400 0.075 0.000 0.815 444 E CB 1.192 30.979 29.700 0.145 0.000 1.252 444 E HN 0.512 nan 8.360 nan 0.000 0.418 445 E N -0.008 120.249 120.200 0.094 0.000 2.478 445 E HA -0.013 4.328 4.350 -0.014 0.000 0.198 445 E C 0.788 177.380 176.600 -0.014 0.000 1.046 445 E CA 0.581 57.027 56.400 0.076 0.000 0.870 445 E CB -0.514 29.277 29.700 0.151 0.000 0.818 445 E HN 0.381 nan 8.360 nan 0.000 0.527 446 I N -1.490 119.051 120.570 -0.049 0.000 2.474 446 I HA 0.600 4.762 4.170 -0.014 0.000 0.294 446 I C -0.424 175.556 176.117 -0.228 0.000 1.005 446 I CA -1.324 59.806 61.300 -0.283 0.000 1.113 446 I CB 1.809 39.708 38.000 -0.168 0.000 1.289 446 I HN -0.179 nan 8.210 nan 0.000 0.436 447 R N 3.937 124.096 120.500 -0.569 0.000 2.831 447 R HA 0.679 5.011 4.340 -0.014 0.000 0.266 447 R C -1.555 174.425 176.300 -0.532 0.000 1.051 447 R CA -0.994 54.797 56.100 -0.515 0.000 0.943 447 R CB 2.323 32.422 30.300 -0.336 0.000 1.228 447 R HN 0.837 nan 8.270 nan 0.000 0.467 448 Q N 0.678 120.309 119.800 -0.282 0.000 2.435 448 Q HA 0.609 4.941 4.340 -0.014 0.000 0.282 448 Q C -1.363 174.594 176.000 -0.072 0.000 1.020 448 Q CA -1.028 54.675 55.803 -0.166 0.000 0.820 448 Q CB 2.034 30.743 28.738 -0.049 0.000 1.436 448 Q HN 0.639 nan 8.270 nan 0.000 0.395 449 I N -0.296 120.184 120.570 -0.150 0.000 2.466 449 I HA 0.864 5.026 4.170 -0.014 0.000 0.289 449 I C -0.793 175.172 176.117 -0.254 0.000 1.026 449 I CA -0.568 60.556 61.300 -0.293 0.000 1.078 449 I CB 2.027 39.589 38.000 -0.729 0.000 1.249 449 I HN 0.878 nan 8.210 nan 0.000 0.429 450 S N 4.165 120.040 115.700 0.293 0.000 2.656 450 S HA 0.797 5.259 4.470 -0.014 0.000 0.273 450 S C -1.023 173.999 174.600 0.704 0.000 1.168 450 S CA -0.913 57.625 58.200 0.563 0.000 0.817 450 S CB 2.276 65.747 63.200 0.452 0.000 1.146 450 S HN 0.814 nan 8.310 nan 0.000 0.475 451 K N 0.801 121.502 120.400 0.502 0.000 2.707 451 K HA 0.615 4.926 4.320 -0.014 0.000 0.283 451 K C 0.008 176.726 176.600 0.196 0.000 1.105 451 K CA 0.490 56.963 56.287 0.310 0.000 1.018 451 K CB 0.601 33.210 32.500 0.182 0.000 1.315 451 K HN 0.926 nan 8.250 nan 0.000 0.495 452 S N 1.747 117.538 115.700 0.153 0.000 4.114 452 S HA -0.297 4.165 4.470 -0.014 0.000 0.618 452 S C 0.713 175.319 174.600 0.010 0.000 1.937 452 S CA 1.743 59.947 58.200 0.007 0.000 4.228 452 S CB -1.201 61.946 63.200 -0.089 0.000 0.216 452 S HN 0.958 nan 8.310 nan 0.000 0.528 453 D N 1.875 122.191 120.400 -0.140 0.000 2.347 453 D HA 0.173 4.805 4.640 -0.014 0.000 0.213 453 D C 0.161 176.596 176.300 0.225 0.000 0.985 453 D CA 0.789 54.811 54.000 0.037 0.000 0.879 453 D CB -0.502 40.284 40.800 -0.024 0.000 0.919 453 D HN 0.452 nan 8.370 nan 0.000 0.526 454 D N 0.119 120.631 120.400 0.188 0.000 2.249 454 D HA 0.558 5.189 4.640 -0.014 0.000 0.246 454 D C -0.877 175.656 176.300 0.388 0.000 1.114 454 D CA -0.368 53.771 54.000 0.233 0.000 0.854 454 D CB 1.162 42.029 40.800 0.112 0.000 1.132 454 D HN 0.241 nan 8.370 nan 0.000 0.461 455 A N 3.421 126.410 122.820 0.281 0.000 2.601 455 A HA 0.665 4.977 4.320 -0.014 0.000 0.291 455 A C -1.409 176.080 177.584 -0.158 0.000 1.075 455 A CA -0.790 51.276 52.037 0.048 0.000 0.671 455 A CB 1.330 20.222 19.000 -0.181 0.000 1.277 455 A HN 0.508 nan 8.150 nan 0.000 0.417 456 M N 1.739 121.138 119.600 -0.334 0.000 2.204 456 M HA 0.400 4.872 4.480 -0.014 0.000 0.293 456 M C -1.476 174.739 176.300 -0.141 0.000 0.994 456 M CA -0.139 55.064 55.300 -0.161 0.000 0.925 456 M CB 1.616 34.151 32.600 -0.108 0.000 1.577 456 M HN 0.563 nan 8.290 nan 0.000 0.439 457 L N 2.555 123.648 121.223 -0.215 0.000 2.289 457 L HA 0.796 5.128 4.340 -0.014 0.000 0.285 457 L C 0.564 176.980 176.870 -0.755 0.000 1.049 457 L CA -0.554 53.997 54.840 -0.481 0.000 0.804 457 L CB 1.377 43.212 42.059 -0.374 0.000 1.195 457 L HN 0.796 nan 8.230 nan 0.000 0.428 458 G N 2.159 110.050 108.800 -1.515 0.000 2.511 458 G HA2 0.610 4.562 3.960 -0.014 0.000 0.318 458 G HA3 0.610 4.562 3.960 -0.014 0.000 0.318 458 G C -1.896 172.166 174.900 -1.397 0.000 1.210 458 G CA -0.349 43.676 45.100 -1.791 0.000 0.969 458 G HN 0.467 nan 8.290 nan 0.000 0.484 459 W N 1.287 122.278 121.300 -0.515 0.000 2.900 459 W HA 0.390 5.041 4.660 -0.014 0.000 0.336 459 W C 0.320 176.786 176.519 -0.089 0.000 1.064 459 W CA -0.590 56.619 57.345 -0.226 0.000 1.237 459 W CB 2.151 31.543 29.460 -0.113 0.000 1.391 459 W HN 0.817 nan 8.180 nan 0.000 0.468 460 T N -0.173 114.455 114.554 0.122 0.000 2.849 460 T HA 0.396 4.738 4.350 -0.014 0.000 0.276 460 T C 0.348 175.159 174.700 0.186 0.000 0.971 460 T CA -0.742 61.458 62.100 0.166 0.000 0.949 460 T CB 1.408 70.351 68.868 0.125 0.000 1.093 460 T HN 0.056 nan 8.240 nan 0.000 0.545 461 K N 0.946 121.439 120.400 0.155 0.000 2.401 461 K HA 0.562 4.873 4.320 -0.014 0.000 0.278 461 K C 0.594 177.265 176.600 0.118 0.000 1.018 461 K CA 0.440 56.805 56.287 0.131 0.000 0.981 461 K CB 0.415 32.975 32.500 0.101 0.000 0.933 461 K HN 1.074 nan 8.250 nan 0.000 0.477 462 G N 1.283 110.150 108.800 0.112 0.000 2.341 462 G HA2 -0.005 3.946 3.960 -0.014 0.000 0.293 462 G HA3 -0.005 3.946 3.960 -0.014 0.000 0.293 462 G C 0.350 175.298 174.900 0.080 0.000 1.298 462 G CA -0.852 44.303 45.100 0.091 0.000 0.868 462 G HN 0.456 nan 8.290 nan 0.000 0.540 463 R N -0.295 120.218 120.500 0.022 0.000 2.083 463 R HA -0.109 4.223 4.340 -0.014 0.000 0.237 463 R C 3.004 179.371 176.300 0.111 0.000 1.137 463 R CA 2.141 58.221 56.100 -0.034 0.000 0.951 463 R CB -0.512 29.580 30.300 -0.347 0.000 0.851 463 R HN 0.639 nan 8.270 nan 0.000 0.434 464 A N 1.288 124.274 122.820 0.276 0.000 2.019 464 A HA -0.153 4.158 4.320 -0.014 0.000 0.219 464 A C 2.052 179.765 177.584 0.214 0.000 1.164 464 A CA 0.970 53.227 52.037 0.366 0.000 0.644 464 A CB -0.424 18.877 19.000 0.501 0.000 0.805 464 A HN 0.252 nan 8.150 nan 0.000 0.449 465 L N -0.053 121.285 121.223 0.192 0.000 2.129 465 L HA -0.125 4.207 4.340 -0.014 0.000 0.212 465 L C 2.364 179.241 176.870 0.011 0.000 1.087 465 L CA 2.245 57.126 54.840 0.068 0.000 0.757 465 L CB -0.725 41.434 42.059 0.167 0.000 0.896 465 L HN 0.236 nan 8.230 nan 0.000 0.434 466 V N -0.294 119.649 119.914 0.049 0.000 2.515 466 V HA -0.076 4.036 4.120 -0.014 0.000 0.250 466 V C 2.347 178.435 176.094 -0.010 0.000 1.058 466 V CA 1.736 64.063 62.300 0.045 0.000 1.064 466 V CB -0.773 31.062 31.823 0.019 0.000 0.675 466 V HN 0.559 nan 8.190 nan 0.000 0.461 467 G N -0.266 108.509 108.800 -0.042 0.000 2.418 467 G HA2 -0.128 3.824 3.960 -0.014 0.000 0.217 467 G HA3 -0.128 3.824 3.960 -0.014 0.000 0.217 467 G C 1.608 176.355 174.900 -0.256 0.000 1.158 467 G CA 0.795 45.860 45.100 -0.059 0.000 0.771 467 G HN 0.699 nan 8.290 nan 0.000 0.545 468 G N 0.156 108.544 108.800 -0.686 0.000 2.529 468 G HA2 -0.304 3.648 3.960 -0.014 0.000 0.219 468 G HA3 -0.304 3.648 3.960 -0.014 0.000 0.219 468 G C 1.637 176.058 174.900 -0.797 0.000 1.177 468 G CA 1.209 45.395 45.100 -1.523 0.000 0.773 468 G HN 0.510 nan 8.290 nan 0.000 0.573 469 H N 0.325 119.140 119.070 -0.423 0.000 2.387 469 H HA -0.006 4.542 4.556 -0.014 0.000 0.299 469 H C 2.858 178.106 175.328 -0.134 0.000 1.099 469 H CA 1.365 57.286 56.048 -0.212 0.000 1.315 469 H CB 0.007 29.660 29.762 -0.182 0.000 1.380 469 H HN 0.313 nan 8.280 nan 0.000 0.513 470 R N 0.037 120.528 120.500 -0.014 0.000 2.075 470 R HA -0.110 4.222 4.340 -0.014 0.000 0.232 470 R C 2.393 178.695 176.300 0.003 0.000 1.126 470 R CA 0.711 56.814 56.100 0.005 0.000 0.963 470 R CB -0.313 29.997 30.300 0.017 0.000 0.858 470 R HN 0.117 nan 8.270 nan 0.000 0.435 471 L N 0.490 121.686 121.223 -0.046 0.000 1.970 471 L HA -0.203 4.128 4.340 -0.014 0.000 0.212 471 L C 2.029 178.935 176.870 0.061 0.000 1.071 471 L CA 1.756 56.567 54.840 -0.050 0.000 0.751 471 L CB -0.955 41.058 42.059 -0.077 0.000 0.889 471 L HN 0.050 nan 8.230 nan 0.000 0.432 472 F N 0.860 120.728 119.950 -0.136 0.000 2.120 472 F HA -0.259 4.260 4.527 -0.014 0.000 0.300 472 F C 2.540 178.349 175.800 0.014 0.000 1.095 472 F CA 2.036 60.003 58.000 -0.055 0.000 1.249 472 F CB -0.681 38.247 39.000 -0.121 0.000 0.995 472 F HN 0.347 nan 8.300 nan 0.000 0.480 473 E N -0.028 120.281 120.200 0.182 0.000 2.106 473 E HA -0.231 4.110 4.350 -0.014 0.000 0.192 473 E C 2.417 179.061 176.600 0.072 0.000 0.984 473 E CA 1.425 57.880 56.400 0.092 0.000 0.806 473 E CB -0.510 29.214 29.700 0.040 0.000 0.750 473 E HN 0.495 nan 8.360 nan 0.000 0.458 474 M N -0.424 119.216 119.600 0.066 0.000 2.117 474 M HA -0.155 4.317 4.480 -0.014 0.000 0.262 474 M C 1.729 178.076 176.300 0.077 0.000 1.065 474 M CA 1.344 56.668 55.300 0.040 0.000 1.114 474 M CB -0.029 32.557 32.600 -0.022 0.000 1.361 474 M HN 0.194 nan 8.290 nan 0.000 0.408 475 L N -0.012 121.292 121.223 0.134 0.000 2.056 475 L HA -0.227 4.104 4.340 -0.014 0.000 0.207 475 L C 2.581 179.581 176.870 0.218 0.000 1.078 475 L CA 1.444 56.417 54.840 0.221 0.000 0.749 475 L CB -0.760 41.472 42.059 0.288 0.000 0.901 475 L HN 0.338 nan 8.230 nan 0.000 0.433 476 K N 0.681 121.103 120.400 0.038 0.000 2.002 476 K HA -0.214 4.098 4.320 -0.014 0.000 0.209 476 K C 1.904 178.488 176.600 -0.026 0.000 1.048 476 K CA 1.737 57.899 56.287 -0.209 0.000 0.930 476 K CB -0.051 32.168 32.500 -0.469 0.000 0.714 476 K HN 0.307 nan 8.250 nan 0.000 0.438 477 E N -0.370 119.824 120.200 -0.010 0.000 2.265 477 E HA -0.092 4.250 4.350 -0.014 0.000 0.196 477 E C 0.744 177.380 176.600 0.060 0.000 0.996 477 E CA 0.488 56.896 56.400 0.014 0.000 0.832 477 E CB -0.270 29.437 29.700 0.011 0.000 0.756 477 E HN 0.616 nan 8.360 nan 0.000 0.491 478 G N 1.923 110.785 108.800 0.103 0.000 2.424 478 G HA2 -0.333 3.619 3.960 -0.014 0.000 0.290 478 G HA3 -0.333 3.619 3.960 -0.014 0.000 0.290 478 G C 0.503 175.450 174.900 0.078 0.000 0.912 478 G CA 1.092 46.264 45.100 0.120 0.000 1.142 478 G HN 0.278 nan 8.290 nan 0.000 0.501 479 K N -1.577 118.858 120.400 0.059 0.000 2.412 479 K HA 0.345 4.657 4.320 -0.014 0.000 0.202 479 K C 0.301 176.928 176.600 0.044 0.000 1.102 479 K CA 0.005 56.319 56.287 0.046 0.000 1.027 479 K CB 1.393 33.915 32.500 0.036 0.000 0.931 479 K HN 0.243 nan 8.250 nan 0.000 0.557 480 V N 2.023 121.966 119.914 0.047 0.000 2.577 480 V HA 0.146 4.258 4.120 -0.014 0.000 0.303 480 V C -1.115 175.007 176.094 0.046 0.000 1.042 480 V CA -1.192 61.135 62.300 0.045 0.000 0.872 480 V CB 1.730 33.580 31.823 0.046 0.000 0.998 480 V HN 0.169 nan 8.190 nan 0.000 0.423 481 N N 7.322 126.049 118.700 0.045 0.000 2.442 481 N HA 0.279 5.010 4.740 -0.014 0.000 0.265 481 N C -1.094 174.451 175.510 0.058 0.000 1.138 481 N CA -1.519 51.560 53.050 0.048 0.000 0.956 481 N CB 1.405 39.911 38.487 0.031 0.000 1.067 481 N HN 0.386 nan 8.380 nan 0.000 0.474 482 P HA -0.007 nan 4.420 nan 0.000 0.242 482 P C -0.471 176.951 177.300 0.203 0.000 1.197 482 P CA 0.388 63.519 63.100 0.052 0.000 0.765 482 P CB 0.387 32.021 31.700 -0.110 0.000 0.936 483 S N 0.460 116.236 115.700 0.127 0.000 2.569 483 S HA 0.513 4.975 4.470 -0.014 0.000 0.280 483 S C -2.256 172.329 174.600 -0.026 0.000 1.111 483 S CA -1.682 56.577 58.200 0.098 0.000 0.887 483 S CB 1.946 65.242 63.200 0.161 0.000 1.095 483 S HN -0.166 nan 8.310 nan 0.000 0.476 484 P HA 0.118 nan 4.420 nan 0.000 0.239 484 P C 0.337 177.441 177.300 -0.325 0.000 1.188 484 P CA 0.474 63.365 63.100 -0.349 0.000 0.794 484 P CB 0.114 31.474 31.700 -0.567 0.000 0.937 485 Y N -0.576 119.797 120.300 0.122 0.000 2.230 485 Y HA 0.172 4.714 4.550 -0.014 0.000 0.294 485 Y C 1.858 177.782 175.900 0.040 0.000 1.120 485 Y CA 0.759 58.952 58.100 0.155 0.000 1.129 485 Y CB -0.400 38.207 38.460 0.246 0.000 1.040 485 Y HN -0.146 nan 8.280 nan 0.000 0.519 486 M N -0.636 119.049 119.600 0.142 0.000 2.745 486 M HA 0.310 4.782 4.480 -0.014 0.000 0.290 486 M C -0.844 175.411 176.300 -0.075 0.000 1.262 486 M CA -0.999 54.284 55.300 -0.028 0.000 0.795 486 M CB 1.569 34.201 32.600 0.053 0.000 1.758 486 M HN -0.192 nan 8.290 nan 0.000 0.461 487 K N 1.621 121.919 120.400 -0.169 0.000 2.266 487 K HA 0.482 4.793 4.320 -0.014 0.000 0.274 487 K C -0.848 175.772 176.600 0.033 0.000 1.090 487 K CA -0.367 55.867 56.287 -0.088 0.000 0.925 487 K CB 0.519 32.926 32.500 -0.155 0.000 1.225 487 K HN 0.342 nan 8.250 nan 0.000 0.458 488 I N 1.685 122.308 120.570 0.088 0.000 2.566 488 I HA 0.344 4.505 4.170 -0.014 0.000 0.303 488 I C 0.713 176.913 176.117 0.138 0.000 0.983 488 I CA -0.449 60.945 61.300 0.156 0.000 1.235 488 I CB 1.185 39.318 38.000 0.222 0.000 1.386 488 I HN 0.625 nan 8.210 nan 0.000 0.494 489 S N 2.889 118.682 115.700 0.155 0.000 2.636 489 S HA 0.548 5.010 4.470 -0.014 0.000 0.266 489 S C -1.123 173.584 174.600 0.178 0.000 1.147 489 S CA -0.966 57.328 58.200 0.156 0.000 0.815 489 S CB 1.326 64.570 63.200 0.073 0.000 1.119 489 S HN 0.505 nan 8.310 nan 0.000 0.470 490 Y N 0.350 120.720 120.300 0.117 0.000 2.320 490 Y HA 0.709 5.251 4.550 -0.014 0.000 0.324 490 Y C 0.166 176.147 175.900 0.135 0.000 1.190 490 Y CA -0.861 57.304 58.100 0.109 0.000 1.215 490 Y CB 0.531 39.077 38.460 0.143 0.000 1.221 490 Y HN 0.921 nan 8.280 nan 0.000 0.486 491 E N 3.313 123.562 120.200 0.081 0.000 2.257 491 E HA -0.039 4.303 4.350 -0.014 0.000 0.278 491 E C -0.763 175.889 176.600 0.086 0.000 1.049 491 E CA -0.396 56.025 56.400 0.036 0.000 0.876 491 E CB 0.277 30.041 29.700 0.106 0.000 1.035 491 E HN 0.856 nan 8.360 nan 0.000 0.419 492 H N 4.492 123.505 119.070 -0.095 0.000 3.157 492 H HA 0.217 4.765 4.556 -0.014 0.000 0.260 492 H C -0.131 175.258 175.328 0.101 0.000 1.232 492 H CA 1.046 57.118 56.048 0.039 0.000 1.488 492 H CB -0.259 29.478 29.762 -0.042 0.000 1.548 492 H HN 0.854 nan 8.280 nan 0.000 0.487 493 G N 3.763 112.524 108.800 -0.066 0.000 3.043 493 G HA2 -0.177 3.775 3.960 -0.014 0.000 0.239 493 G HA3 -0.177 3.775 3.960 -0.014 0.000 0.239 493 G C 0.411 175.362 174.900 0.086 0.000 1.042 493 G CA -0.398 44.687 45.100 -0.024 0.000 1.189 493 G HN 0.916 nan 8.290 nan 0.000 0.578 494 G N -0.139 108.754 108.800 0.155 0.000 2.272 494 G HA2 0.704 4.655 3.960 -0.014 0.000 0.247 494 G HA3 0.704 4.655 3.960 -0.014 0.000 0.247 494 G C 0.468 175.467 174.900 0.166 0.000 1.272 494 G CA 0.874 46.083 45.100 0.182 0.000 0.921 494 G HN 1.955 nan 8.290 nan 0.000 0.495 495 A N 2.018 124.948 122.820 0.183 0.000 2.587 495 A HA 0.788 5.099 4.320 -0.014 0.000 0.293 495 A C -1.647 176.105 177.584 0.280 0.000 1.087 495 A CA -0.697 51.472 52.037 0.220 0.000 0.692 495 A CB 1.821 20.904 19.000 0.137 0.000 1.291 495 A HN 1.250 nan 8.150 nan 0.000 0.407 496 F N 2.083 122.078 119.950 0.074 0.000 2.579 496 F HA 0.563 5.082 4.527 -0.014 0.000 0.325 496 F C -0.112 175.574 175.800 -0.190 0.000 1.162 496 F CA -0.776 57.188 58.000 -0.060 0.000 0.946 496 F CB 1.345 40.294 39.000 -0.084 0.000 1.211 496 F HN 0.499 nan 8.300 nan 0.000 0.447 497 L N 5.960 126.726 121.223 -0.761 0.000 3.608 497 L HA -0.127 4.204 4.340 -0.014 0.000 0.422 497 L C 1.089 177.708 176.870 -0.418 0.000 1.260 497 L CA 1.462 55.871 54.840 -0.719 0.000 0.889 497 L CB -1.565 39.845 42.059 -1.083 0.000 1.821 497 L HN 1.353 nan 8.230 nan 0.000 0.884 498 G N -1.886 106.776 108.800 -0.231 0.000 2.225 498 G HA2 -0.234 3.717 3.960 -0.014 0.000 0.254 498 G HA3 -0.234 3.717 3.960 -0.014 0.000 0.254 498 G C 0.221 175.068 174.900 -0.088 0.000 0.988 498 G CA 0.298 45.319 45.100 -0.132 0.000 0.625 498 G HN 0.492 nan 8.290 nan 0.000 0.527 499 D N 0.700 121.032 120.400 -0.113 0.000 2.193 499 D HA 0.514 5.146 4.640 -0.014 0.000 0.244 499 D C 0.701 177.115 176.300 0.191 0.000 1.064 499 D CA -0.353 53.642 54.000 -0.009 0.000 0.845 499 D CB 1.439 42.152 40.800 -0.145 0.000 1.148 499 D HN 0.250 nan 8.370 nan 0.000 0.464 500 I N 2.050 122.735 120.570 0.191 0.000 2.474 500 I HA 0.022 4.183 4.170 -0.014 0.000 0.287 500 I C 0.150 176.372 176.117 0.174 0.000 1.048 500 I CA -0.676 60.728 61.300 0.175 0.000 1.383 500 I CB 1.076 39.129 38.000 0.088 0.000 1.412 500 I HN 0.079 nan 8.210 nan 0.000 0.531 501 L N 7.972 129.194 121.223 -0.001 0.000 2.261 501 L HA 0.309 4.641 4.340 -0.014 0.000 0.289 501 L C -0.707 175.923 176.870 -0.401 0.000 1.059 501 L CA -0.269 54.275 54.840 -0.493 0.000 0.816 501 L CB 0.841 42.524 42.059 -0.626 0.000 1.191 501 L HN 0.389 nan 8.230 nan 0.000 0.431 502 L N 6.685 127.683 121.223 -0.375 0.000 2.259 502 L HA 0.425 4.757 4.340 -0.014 0.000 0.288 502 L C -0.921 175.812 176.870 -0.228 0.000 1.051 502 L CA 0.061 54.782 54.840 -0.197 0.000 0.824 502 L CB 0.187 42.200 42.059 -0.077 0.000 1.206 502 L HN 0.473 nan 8.230 nan 0.000 0.429 503 Y N 2.666 122.987 120.300 0.036 0.000 2.326 503 Y HA 0.387 4.929 4.550 -0.014 0.000 0.324 503 Y C 0.620 176.577 175.900 0.095 0.000 1.291 503 Y CA -0.445 57.687 58.100 0.054 0.000 1.348 503 Y CB 0.825 39.337 38.460 0.086 0.000 1.294 503 Y HN 0.725 nan 8.280 nan 0.000 0.525 504 D N -1.676 118.869 120.400 0.242 0.000 2.577 504 D HA 0.159 4.791 4.640 -0.014 0.000 0.248 504 D C 1.089 177.454 176.300 0.109 0.000 1.181 504 D CA 0.024 54.119 54.000 0.157 0.000 1.083 504 D CB -0.436 40.425 40.800 0.100 0.000 1.198 504 D HN 0.382 nan 8.370 nan 0.000 0.626 505 S N -1.040 114.692 115.700 0.052 0.000 2.383 505 S HA -0.147 4.315 4.470 -0.014 0.000 0.227 505 S C 1.791 176.384 174.600 -0.012 0.000 1.026 505 S CA 0.419 58.615 58.200 -0.006 0.000 0.981 505 S CB -0.378 62.818 63.200 -0.007 0.000 0.818 505 S HN 0.286 nan 8.310 nan 0.000 0.472 506 R N 1.218 121.731 120.500 0.021 0.000 2.083 506 R HA 0.069 4.401 4.340 -0.014 0.000 0.237 506 R C 0.372 176.671 176.300 -0.002 0.000 1.137 506 R CA 0.848 56.958 56.100 0.016 0.000 0.951 506 R CB -0.885 29.442 30.300 0.045 0.000 0.851 506 R HN 0.410 nan 8.270 nan 0.000 0.434 507 R N 0.910 121.433 120.500 0.038 0.000 3.322 507 R HA -0.123 4.208 4.340 -0.014 0.000 0.266 507 R C -0.972 175.292 176.300 -0.061 0.000 1.072 507 R CA 0.618 56.674 56.100 -0.074 0.000 0.715 507 R CB -2.253 27.924 30.300 -0.205 0.000 1.199 507 R HN 0.533 nan 8.270 nan 0.000 0.421 508 E N -0.790 119.527 120.200 0.195 0.000 2.340 508 E HA 0.280 4.622 4.350 -0.014 0.000 0.273 508 E C -2.076 174.730 176.600 0.344 0.000 0.891 508 E CA -2.242 54.292 56.400 0.224 0.000 0.757 508 E CB 1.814 31.595 29.700 0.135 0.000 1.231 508 E HN -0.268 nan 8.360 nan 0.000 0.439 509 P HA -0.212 nan 4.420 nan 0.000 0.217 509 P C 1.220 178.543 177.300 0.039 0.000 1.148 509 P CA 1.531 64.740 63.100 0.182 0.000 0.834 509 P CB 0.181 32.026 31.700 0.242 0.000 0.783 510 G N -0.597 108.251 108.800 0.079 0.000 2.403 510 G HA2 -0.166 3.786 3.960 -0.014 0.000 0.216 510 G HA3 -0.166 3.786 3.960 -0.014 0.000 0.216 510 G C 1.259 176.168 174.900 0.015 0.000 1.154 510 G CA 0.873 45.994 45.100 0.036 0.000 0.784 510 G HN 0.421 nan 8.290 nan 0.000 0.538 511 S N -0.215 115.510 115.700 0.042 0.000 2.679 511 S HA 0.707 5.168 4.470 -0.014 0.000 0.233 511 S C 0.589 175.193 174.600 0.007 0.000 0.951 511 S CA 0.131 58.351 58.200 0.033 0.000 0.973 511 S CB 0.279 63.515 63.200 0.061 0.000 0.778 511 S HN 0.536 nan 8.310 nan 0.000 0.477 512 A N 1.648 124.426 122.820 -0.069 0.000 2.322 512 A HA 0.922 5.234 4.320 -0.014 0.000 0.327 512 A C -0.297 177.137 177.584 -0.251 0.000 1.134 512 A CA -1.177 50.731 52.037 -0.216 0.000 0.831 512 A CB 0.892 19.608 19.000 -0.474 0.000 1.288 512 A HN 0.889 nan 8.150 nan 0.000 0.472 513 I N -3.079 117.310 120.570 -0.301 0.000 2.894 513 I HA 0.643 4.805 4.170 -0.014 0.000 0.302 513 I C -1.432 174.515 176.117 -0.282 0.000 1.188 513 I CA -0.764 60.399 61.300 -0.228 0.000 1.014 513 I CB 2.042 39.988 38.000 -0.090 0.000 1.242 513 I HN 0.482 nan 8.210 nan 0.000 0.430 514 F N 3.874 123.756 119.950 -0.114 0.000 2.404 514 F HA 0.652 5.171 4.527 -0.014 0.000 0.345 514 F C 0.349 176.103 175.800 -0.078 0.000 1.110 514 F CA -0.535 57.405 58.000 -0.100 0.000 1.130 514 F CB 1.931 40.873 39.000 -0.097 0.000 1.129 514 F HN 0.432 nan 8.300 nan 0.000 0.500 515 V N 0.978 120.986 119.914 0.157 0.000 3.040 515 V HA 0.897 5.008 4.120 -0.014 0.000 0.312 515 V C 0.042 176.173 176.094 0.061 0.000 1.115 515 V CA -0.977 61.364 62.300 0.068 0.000 0.998 515 V CB 1.100 32.949 31.823 0.043 0.000 1.042 515 V HN 0.802 nan 8.190 nan 0.000 0.433 516 G N 0.977 109.782 108.800 0.007 0.000 2.636 516 G HA2 0.228 4.179 3.960 -0.014 0.000 0.246 516 G HA3 0.228 4.179 3.960 -0.014 0.000 0.246 516 G C -0.147 174.827 174.900 0.123 0.000 1.216 516 G CA -0.351 44.745 45.100 -0.006 0.000 0.854 516 G HN 0.975 nan 8.290 nan 0.000 0.572 517 N N 0.532 119.330 118.700 0.163 0.000 2.408 517 N HA 0.052 4.783 4.740 -0.014 0.000 0.257 517 N C 1.170 176.846 175.510 0.276 0.000 1.064 517 N CA -0.675 52.481 53.050 0.176 0.000 0.952 517 N CB 1.210 39.773 38.487 0.127 0.000 1.093 517 N HN 0.238 nan 8.380 nan 0.000 0.490 518 I N 4.558 125.249 120.570 0.202 0.000 2.286 518 I HA -0.173 3.989 4.170 -0.014 0.000 0.248 518 I C 1.705 177.899 176.117 0.130 0.000 1.115 518 I CA 1.197 62.603 61.300 0.177 0.000 1.392 518 I CB -0.442 37.665 38.000 0.177 0.000 1.065 518 I HN 0.638 nan 8.210 nan 0.000 0.418 519 N N -0.382 118.379 118.700 0.102 0.000 2.149 519 N HA -0.172 4.560 4.740 -0.014 0.000 0.188 519 N C 1.925 177.496 175.510 0.102 0.000 1.019 519 N CA 1.585 54.680 53.050 0.075 0.000 0.857 519 N CB -0.058 38.382 38.487 -0.078 0.000 0.997 519 N HN 0.302 nan 8.380 nan 0.000 0.426 520 S N -0.103 115.671 115.700 0.124 0.000 2.399 520 S HA -0.135 4.326 4.470 -0.014 0.000 0.231 520 S C 1.818 176.479 174.600 0.103 0.000 1.022 520 S CA 0.846 59.144 58.200 0.163 0.000 0.983 520 S CB -0.222 63.130 63.200 0.253 0.000 0.803 520 S HN 0.423 nan 8.310 nan 0.000 0.480 521 M N 1.036 120.537 119.600 -0.164 0.000 2.067 521 M HA -0.093 4.379 4.480 -0.014 0.000 0.260 521 M C 1.838 178.064 176.300 -0.122 0.000 1.069 521 M CA 1.519 56.455 55.300 -0.607 0.000 1.117 521 M CB -0.307 31.585 32.600 -1.179 0.000 1.334 521 M HN 0.275 nan 8.290 nan 0.000 0.407 522 L N 0.464 121.715 121.223 0.047 0.000 1.989 522 L HA -0.308 4.023 4.340 -0.014 0.000 0.211 522 L C 2.268 179.287 176.870 0.247 0.000 1.071 522 L CA 1.372 56.363 54.840 0.252 0.000 0.749 522 L CB -1.161 41.104 42.059 0.344 0.000 0.890 522 L HN 0.382 nan 8.230 nan 0.000 0.431 523 N N 0.413 119.227 118.700 0.190 0.000 2.036 523 N HA -0.221 4.511 4.740 -0.014 0.000 0.195 523 N C 1.547 177.149 175.510 0.153 0.000 1.037 523 N CA 1.794 54.952 53.050 0.180 0.000 0.855 523 N CB -0.722 37.847 38.487 0.136 0.000 1.033 523 N HN 0.465 nan 8.380 nan 0.000 0.423 524 N N 0.712 119.484 118.700 0.120 0.000 2.084 524 N HA -0.138 4.593 4.740 -0.014 0.000 0.190 524 N C 1.644 177.194 175.510 0.068 0.000 1.030 524 N CA 0.881 53.999 53.050 0.114 0.000 0.849 524 N CB -0.125 38.454 38.487 0.153 0.000 1.012 524 N HN 0.406 nan 8.380 nan 0.000 0.423 525 Q N -0.602 119.172 119.800 -0.043 0.000 2.230 525 Q HA -0.040 4.292 4.340 -0.014 0.000 0.202 525 Q C 0.663 176.426 176.000 -0.396 0.000 0.963 525 Q CA 1.044 56.699 55.803 -0.247 0.000 0.866 525 Q CB 0.186 28.587 28.738 -0.561 0.000 0.931 525 Q HN 0.459 nan 8.270 nan 0.000 0.452 526 F N -2.182 118.030 119.950 0.438 0.000 2.767 526 F HA 0.252 4.770 4.527 -0.014 0.000 0.323 526 F C 0.649 176.710 175.800 0.434 0.000 1.091 526 F CA -0.285 58.053 58.000 0.564 0.000 1.192 526 F CB 1.251 40.579 39.000 0.547 0.000 1.056 526 F HN -0.316 nan 8.300 nan 0.000 0.571 527 S N 1.755 117.676 115.700 0.368 0.000 2.474 527 S HA 0.230 4.692 4.470 -0.014 0.000 0.224 527 S C -2.531 172.162 174.600 0.155 0.000 1.209 527 S CA -1.014 57.352 58.200 0.277 0.000 1.212 527 S CB 0.187 63.542 63.200 0.258 0.000 1.137 527 S HN -0.128 nan 8.310 nan 0.000 0.446 528 P HA 0.105 nan 4.420 nan 0.000 0.268 528 P C 0.229 177.546 177.300 0.029 0.000 1.208 528 P CA 0.075 63.208 63.100 0.055 0.000 0.777 528 P CB 0.940 32.630 31.700 -0.017 0.000 0.875 529 E N 0.327 120.536 120.200 0.014 0.000 2.358 529 E HA -0.052 4.289 4.350 -0.014 0.000 0.195 529 E C -0.200 176.152 176.600 -0.415 0.000 1.010 529 E CA 0.954 57.245 56.400 -0.182 0.000 0.856 529 E CB -0.077 29.499 29.700 -0.206 0.000 0.795 529 E HN 0.507 nan 8.360 nan 0.000 0.504 530 Y N -1.454 118.832 120.300 -0.023 0.000 2.615 530 Y HA 0.491 5.032 4.550 -0.014 0.000 0.341 530 Y C 0.696 176.561 175.900 -0.059 0.000 1.089 530 Y CA -1.165 56.910 58.100 -0.041 0.000 1.049 530 Y CB 1.067 39.504 38.460 -0.038 0.000 1.296 530 Y HN -0.177 nan 8.280 nan 0.000 0.470 531 G N -0.077 108.783 108.800 0.099 0.000 2.535 531 G HA2 0.393 4.345 3.960 -0.014 0.000 0.282 531 G HA3 0.393 4.345 3.960 -0.014 0.000 0.282 531 G C 0.562 175.459 174.900 -0.005 0.000 1.350 531 G CA -0.161 44.945 45.100 0.010 0.000 1.039 531 G HN 0.841 nan 8.290 nan 0.000 0.509 532 V N -3.128 116.764 119.914 -0.035 0.000 3.573 532 V HA 0.153 4.265 4.120 -0.014 0.000 0.270 532 V C 0.879 176.939 176.094 -0.057 0.000 1.221 532 V CA 0.812 63.084 62.300 -0.046 0.000 1.163 532 V CB -1.377 30.429 31.823 -0.029 0.000 0.847 532 V HN 0.730 nan 8.190 nan 0.000 0.468 533 Q N 1.485 121.259 119.800 -0.043 0.000 2.395 533 Q HA -0.255 4.077 4.340 -0.014 0.000 0.326 533 Q C 1.498 177.466 176.000 -0.054 0.000 1.302 533 Q CA 0.699 56.473 55.803 -0.048 0.000 0.949 533 Q CB -1.823 26.876 28.738 -0.065 0.000 1.204 533 Q HN 1.003 nan 8.270 nan 0.000 0.444 534 S N -2.370 113.305 115.700 -0.041 0.000 2.493 534 S HA -0.150 4.312 4.470 -0.014 0.000 0.243 534 S C 1.761 176.343 174.600 -0.029 0.000 0.991 534 S CA 0.710 58.888 58.200 -0.036 0.000 0.957 534 S CB -0.008 63.179 63.200 -0.020 0.000 0.756 534 S HN 0.693 nan 8.310 nan 0.000 0.521 535 G N 1.165 109.948 108.800 -0.028 0.000 2.464 535 G HA2 0.109 4.060 3.960 -0.014 0.000 0.217 535 G HA3 0.109 4.060 3.960 -0.014 0.000 0.217 535 G C 0.415 175.301 174.900 -0.024 0.000 1.138 535 G CA 0.073 45.160 45.100 -0.022 0.000 0.793 535 G HN 0.466 nan 8.290 nan 0.000 0.539 536 V N 2.510 122.403 119.914 -0.035 0.000 2.415 536 V HA 0.153 4.265 4.120 -0.014 0.000 0.267 536 V C 1.401 177.479 176.094 -0.027 0.000 1.042 536 V CA -0.609 61.669 62.300 -0.036 0.000 1.000 536 V CB 1.112 32.902 31.823 -0.056 0.000 1.015 536 V HN 0.195 nan 8.190 nan 0.000 0.478 537 R N 2.193 122.690 120.500 -0.005 0.000 2.081 537 R HA -0.061 4.271 4.340 -0.014 0.000 0.235 537 R C 0.868 177.204 176.300 0.060 0.000 1.131 537 R CA 0.759 56.871 56.100 0.021 0.000 0.960 537 R CB -0.338 29.973 30.300 0.019 0.000 0.856 537 R HN 0.733 nan 8.270 nan 0.000 0.436 538 D N 1.072 121.504 120.400 0.053 0.000 2.374 538 D HA 0.053 4.685 4.640 -0.014 0.000 0.240 538 D C 0.693 177.001 176.300 0.012 0.000 1.229 538 D CA -0.015 54.056 54.000 0.119 0.000 0.895 538 D CB 0.506 41.358 40.800 0.086 0.000 1.046 538 D HN -0.021 nan 8.370 nan 0.000 0.498 539 R N 1.273 121.731 120.500 -0.071 0.000 2.152 539 R HA -0.122 4.209 4.340 -0.014 0.000 0.232 539 R C 2.110 178.138 176.300 -0.453 0.000 1.117 539 R CA 1.310 57.140 56.100 -0.451 0.000 0.981 539 R CB -0.043 29.704 30.300 -0.920 0.000 0.870 539 R HN 0.422 nan 8.270 nan 0.000 0.451 540 S N 0.600 116.145 115.700 -0.258 0.000 2.474 540 S HA -0.079 4.383 4.470 -0.014 0.000 0.235 540 S C 1.587 176.129 174.600 -0.096 0.000 0.997 540 S CA 0.843 58.970 58.200 -0.121 0.000 0.949 540 S CB 0.068 63.316 63.200 0.080 0.000 0.766 540 S HN 0.258 nan 8.310 nan 0.000 0.517 541 K N 0.415 120.760 120.400 -0.093 0.000 2.379 541 K HA 0.208 4.520 4.320 -0.014 0.000 0.194 541 K C 0.616 177.137 176.600 -0.130 0.000 1.031 541 K CA -0.098 56.136 56.287 -0.088 0.000 1.037 541 K CB 0.242 32.710 32.500 -0.054 0.000 0.824 541 K HN 0.368 nan 8.250 nan 0.000 0.516 542 R N 1.016 121.411 120.500 -0.174 0.000 2.679 542 R HA 0.100 4.432 4.340 -0.014 0.000 0.269 542 R C 1.048 177.214 176.300 -0.224 0.000 1.076 542 R CA -0.203 55.780 56.100 -0.195 0.000 1.160 542 R CB 0.425 30.591 30.300 -0.224 0.000 1.054 542 R HN -0.132 nan 8.270 nan 0.000 0.507 543 K N 1.681 121.919 120.400 -0.270 0.000 2.288 543 K HA -0.067 4.245 4.320 -0.014 0.000 0.201 543 K C 0.352 176.811 176.600 -0.236 0.000 1.048 543 K CA 1.170 57.230 56.287 -0.379 0.000 0.956 543 K CB 0.165 32.192 32.500 -0.789 0.000 0.746 543 K HN 0.410 nan 8.250 nan 0.000 0.461 544 R N 0.210 120.600 120.500 -0.184 0.000 2.639 544 R HA 0.161 4.493 4.340 -0.014 0.000 0.273 544 R C -2.251 173.915 176.300 -0.223 0.000 1.732 544 R CA -1.349 54.673 56.100 -0.129 0.000 1.586 544 R CB 1.138 31.402 30.300 -0.060 0.000 1.263 544 R HN -0.127 nan 8.270 nan 0.000 0.615 545 P HA -0.192 nan 4.420 nan 0.000 0.216 545 P C -0.212 176.441 177.300 -1.079 0.000 1.167 545 P CA 1.528 64.181 63.100 -0.745 0.000 0.914 545 P CB 0.200 31.532 31.700 -0.614 0.000 0.793 546 F N -3.802 116.088 119.950 -0.100 0.000 2.622 546 F HA 0.360 4.879 4.527 -0.014 0.000 0.338 546 F C -1.860 173.926 175.800 -0.023 0.000 1.334 546 F CA -2.123 55.832 58.000 -0.075 0.000 1.179 546 F CB 0.882 39.828 39.000 -0.089 0.000 1.471 546 F HN -0.080 nan 8.300 nan 0.000 0.576 547 P HA -0.194 nan 4.420 nan 0.000 0.216 547 P C 1.941 179.317 177.300 0.128 0.000 1.154 547 P CA 1.855 65.030 63.100 0.125 0.000 0.865 547 P CB 0.256 32.044 31.700 0.148 0.000 0.789 548 G N -0.603 108.232 108.800 0.059 0.000 2.470 548 G HA2 -0.207 3.745 3.960 -0.014 0.000 0.220 548 G HA3 -0.207 3.745 3.960 -0.014 0.000 0.220 548 G C 1.398 176.331 174.900 0.056 0.000 1.121 548 G CA 0.354 45.439 45.100 -0.025 0.000 0.766 548 G HN 0.245 nan 8.290 nan 0.000 0.553 549 L N 0.552 121.834 121.223 0.098 0.000 2.131 549 L HA -0.055 4.276 4.340 -0.014 0.000 0.210 549 L C 3.296 180.238 176.870 0.119 0.000 1.092 549 L CA 0.808 55.701 54.840 0.089 0.000 0.759 549 L CB -0.482 41.616 42.059 0.066 0.000 0.903 549 L HN 0.290 nan 8.230 nan 0.000 0.435 550 A N -0.365 122.546 122.820 0.152 0.000 2.076 550 A HA -0.264 4.047 4.320 -0.014 0.000 0.220 550 A C 2.153 179.864 177.584 0.211 0.000 1.160 550 A CA 1.212 53.355 52.037 0.176 0.000 0.653 550 A CB -0.908 18.217 19.000 0.207 0.000 0.801 550 A HN 0.712 nan 8.150 nan 0.000 0.455 551 W N 0.382 121.680 121.300 -0.004 0.000 2.388 551 W HA -0.143 4.508 4.660 -0.014 0.000 0.294 551 W C 2.264 178.787 176.519 0.008 0.000 1.212 551 W CA 1.428 58.760 57.345 -0.022 0.000 1.271 551 W CB -0.115 29.275 29.460 -0.116 0.000 1.126 551 W HN 0.444 nan 8.180 nan 0.000 0.535 552 A N 0.494 123.364 122.820 0.083 0.000 1.933 552 A HA -0.220 4.091 4.320 -0.014 0.000 0.218 552 A C 1.940 179.486 177.584 -0.064 0.000 1.175 552 A CA 2.282 54.309 52.037 -0.017 0.000 0.628 552 A CB -1.113 17.895 19.000 0.013 0.000 0.814 552 A HN 0.326 nan 8.150 nan 0.000 0.444 553 S N -1.179 114.504 115.700 -0.029 0.000 2.558 553 S HA 0.064 4.526 4.470 -0.014 0.000 0.217 553 S C 1.772 176.355 174.600 -0.029 0.000 0.975 553 S CA 0.767 58.942 58.200 -0.042 0.000 0.912 553 S CB -0.443 62.740 63.200 -0.028 0.000 0.776 553 S HN 0.564 nan 8.310 nan 0.000 0.526 554 M N 1.878 121.466 119.600 -0.019 0.000 2.082 554 M HA -0.202 4.270 4.480 -0.014 0.000 0.258 554 M C 2.204 178.528 176.300 0.041 0.000 1.071 554 M CA 2.222 57.568 55.300 0.077 0.000 1.103 554 M CB -0.264 32.284 32.600 -0.087 0.000 1.307 554 M HN 0.287 nan 8.290 nan 0.000 0.409 555 K N 0.844 121.208 120.400 -0.059 0.000 2.074 555 K HA -0.241 4.070 4.320 -0.014 0.000 0.209 555 K C 1.743 178.221 176.600 -0.203 0.000 1.048 555 K CA 2.362 58.589 56.287 -0.100 0.000 0.926 555 K CB -0.815 31.659 32.500 -0.044 0.000 0.713 555 K HN 0.588 nan 8.250 nan 0.000 0.444 556 D N -1.077 119.238 120.400 -0.141 0.000 2.084 556 D HA -0.119 4.513 4.640 -0.014 0.000 0.196 556 D C 1.359 177.543 176.300 -0.193 0.000 0.985 556 D CA 1.732 55.644 54.000 -0.147 0.000 0.826 556 D CB -0.006 40.724 40.800 -0.118 0.000 0.978 556 D HN 0.280 nan 8.370 nan 0.000 0.456 557 T N -0.824 113.600 114.554 -0.217 0.000 2.746 557 T HA -0.151 4.191 4.350 -0.014 0.000 0.267 557 T C 1.153 175.491 174.700 -0.603 0.000 1.039 557 T CA 1.217 63.066 62.100 -0.418 0.000 1.142 557 T CB -0.189 68.355 68.868 -0.540 0.000 0.866 557 T HN 0.292 nan 8.240 nan 0.000 0.444 558 Y N -0.421 119.753 120.300 -0.211 0.000 2.500 558 Y HA 0.422 4.964 4.550 -0.014 0.000 0.246 558 Y C 2.328 177.842 175.900 -0.643 0.000 1.146 558 Y CA -0.657 57.275 58.100 -0.279 0.000 1.230 558 Y CB -0.348 38.049 38.460 -0.104 0.000 1.214 558 Y HN 0.165 nan 8.280 nan 0.000 0.526 559 G N 1.026 109.381 108.800 -0.742 0.000 2.505 559 G HA2 -0.359 3.592 3.960 -0.014 0.000 0.220 559 G HA3 -0.359 3.592 3.960 -0.014 0.000 0.220 559 G C 1.880 176.553 174.900 -0.377 0.000 1.145 559 G CA 1.280 45.835 45.100 -0.908 0.000 0.761 559 G HN 0.446 nan 8.290 nan 0.000 0.571 560 A N -0.740 121.954 122.820 -0.210 0.000 2.070 560 A HA 0.026 4.338 4.320 -0.014 0.000 0.220 560 A C 1.621 179.193 177.584 -0.021 0.000 1.159 560 A CA 0.782 52.771 52.037 -0.081 0.000 0.656 560 A CB -0.847 18.117 19.000 -0.060 0.000 0.800 560 A HN 0.442 nan 8.150 nan 0.000 0.453 561 C N 0.473 119.766 119.300 -0.012 0.000 2.596 561 C HA 0.224 4.676 4.460 -0.014 0.000 0.414 561 C C -0.457 174.593 174.990 0.100 0.000 1.396 561 C CA -0.899 58.162 59.018 0.072 0.000 1.698 561 C CB 0.255 28.078 27.740 0.139 0.000 2.572 561 C HN 0.440 nan 8.230 nan 0.000 0.604 562 P HA -0.141 nan 4.420 nan 0.000 0.217 562 P C 0.674 178.046 177.300 0.119 0.000 1.151 562 P CA 1.732 64.894 63.100 0.104 0.000 0.849 562 P CB -0.057 31.702 31.700 0.099 0.000 0.787 563 I N -6.420 114.202 120.570 0.087 0.000 3.856 563 I HA 0.213 4.375 4.170 -0.014 0.000 0.333 563 I C 1.700 177.836 176.117 0.031 0.000 1.525 563 I CA -0.576 60.727 61.300 0.005 0.000 1.173 563 I CB -0.734 37.090 38.000 -0.292 0.000 1.175 563 I HN -0.132 nan 8.210 nan 0.000 0.424 564 Y N 2.314 122.609 120.300 -0.009 0.000 1.979 564 Y HA -0.385 4.156 4.550 -0.014 0.000 0.262 564 Y C 2.722 178.626 175.900 0.006 0.000 1.142 564 Y CA 2.481 60.585 58.100 0.008 0.000 1.096 564 Y CB -0.124 38.359 38.460 0.039 0.000 0.958 564 Y HN 0.317 nan 8.280 nan 0.000 0.484 565 S N 0.600 116.289 115.700 -0.018 0.000 2.381 565 S HA -0.319 4.143 4.470 -0.014 0.000 0.230 565 S C 1.273 175.832 174.600 -0.069 0.000 1.052 565 S CA 1.913 60.044 58.200 -0.115 0.000 1.068 565 S CB -0.809 62.409 63.200 0.029 0.000 0.918 565 S HN 0.608 nan 8.310 nan 0.000 0.448 566 D N 0.873 121.271 120.400 -0.004 0.000 2.104 566 D HA -0.075 4.557 4.640 -0.014 0.000 0.194 566 D C 1.992 178.276 176.300 -0.027 0.000 0.994 566 D CA 0.975 55.000 54.000 0.043 0.000 0.830 566 D CB -0.577 40.290 40.800 0.112 0.000 0.959 566 D HN 0.197 nan 8.370 nan 0.000 0.452 567 V N 0.636 120.467 119.914 -0.139 0.000 2.255 567 V HA -0.235 3.876 4.120 -0.014 0.000 0.247 567 V C 2.487 178.559 176.094 -0.037 0.000 1.051 567 V CA 1.340 63.568 62.300 -0.119 0.000 1.018 567 V CB -0.566 31.189 31.823 -0.114 0.000 0.641 567 V HN 0.241 nan 8.190 nan 0.000 0.445 568 L N -0.460 120.708 121.223 -0.093 0.000 2.043 568 L HA -0.269 4.063 4.340 -0.014 0.000 0.212 568 L C 2.606 179.513 176.870 0.062 0.000 1.075 568 L CA 1.917 56.744 54.840 -0.021 0.000 0.752 568 L CB -0.593 41.350 42.059 -0.193 0.000 0.891 568 L HN 0.421 nan 8.230 nan 0.000 0.432 569 E N -0.344 119.870 120.200 0.024 0.000 2.047 569 E HA -0.221 4.121 4.350 -0.014 0.000 0.191 569 E C 2.300 178.926 176.600 0.044 0.000 0.987 569 E CA 1.081 57.513 56.400 0.053 0.000 0.799 569 E CB -0.143 29.584 29.700 0.045 0.000 0.752 569 E HN 0.512 nan 8.360 nan 0.000 0.449 570 A N 1.303 124.130 122.820 0.012 0.000 1.883 570 A HA -0.210 4.102 4.320 -0.014 0.000 0.217 570 A C 2.154 179.733 177.584 -0.008 0.000 1.186 570 A CA 1.211 53.196 52.037 -0.086 0.000 0.624 570 A CB -0.659 18.315 19.000 -0.043 0.000 0.822 570 A HN 0.154 nan 8.150 nan 0.000 0.444 571 I N -0.925 119.696 120.570 0.086 0.000 2.099 571 I HA -0.276 3.886 4.170 -0.014 0.000 0.239 571 I C 2.601 178.904 176.117 0.309 0.000 1.066 571 I CA 1.924 63.352 61.300 0.214 0.000 1.324 571 I CB -0.439 37.681 38.000 0.199 0.000 1.037 571 I HN 0.400 nan 8.210 nan 0.000 0.401 572 E N 1.202 121.564 120.200 0.270 0.000 2.136 572 E HA -0.302 4.040 4.350 -0.014 0.000 0.202 572 E C 2.161 179.006 176.600 0.408 0.000 1.019 572 E CA 1.806 58.413 56.400 0.345 0.000 0.819 572 E CB -0.216 29.646 29.700 0.271 0.000 0.739 572 E HN 0.228 nan 8.360 nan 0.000 0.458 573 R N -0.769 119.885 120.500 0.255 0.000 2.075 573 R HA -0.107 4.224 4.340 -0.014 0.000 0.230 573 R C 2.473 178.941 176.300 0.279 0.000 1.140 573 R CA 1.897 58.119 56.100 0.203 0.000 0.928 573 R CB -0.785 29.521 30.300 0.011 0.000 0.834 573 R HN 0.346 nan 8.270 nan 0.000 0.429 574 C N -0.172 119.266 119.300 0.230 0.000 2.411 574 C HA -0.117 4.335 4.460 -0.014 0.000 0.279 574 C C 2.327 177.627 174.990 0.515 0.000 1.288 574 C CA 0.107 59.294 59.018 0.282 0.000 1.764 574 C CB -1.361 26.463 27.740 0.140 0.000 1.974 574 C HN 0.689 nan 8.230 nan 0.000 0.498 575 W N -0.523 120.992 121.300 0.359 0.000 2.436 575 W HA -0.075 4.576 4.660 -0.014 0.000 0.284 575 W C 2.158 178.773 176.519 0.159 0.000 1.225 575 W CA 0.812 58.230 57.345 0.121 0.000 1.271 575 W CB -0.634 28.761 29.460 -0.108 0.000 1.114 575 W HN 0.464 nan 8.180 nan 0.000 0.559 576 W N 1.692 123.190 121.300 0.330 0.000 2.354 576 W HA -0.229 4.423 4.660 -0.014 0.000 0.315 576 W C 2.367 178.933 176.519 0.077 0.000 1.206 576 W CA 2.025 59.491 57.345 0.202 0.000 1.290 576 W CB -0.828 28.723 29.460 0.152 0.000 1.152 576 W HN -0.219 nan 8.180 nan 0.000 0.489 577 N N -0.022 118.858 118.700 0.300 0.000 2.137 577 N HA -0.189 4.543 4.740 -0.014 0.000 0.190 577 N C 1.551 177.030 175.510 -0.051 0.000 1.017 577 N CA 1.961 55.091 53.050 0.133 0.000 0.859 577 N CB -1.010 37.531 38.487 0.090 0.000 1.002 577 N HN 0.212 nan 8.380 nan 0.000 0.428 578 A N -0.518 122.205 122.820 -0.162 0.000 1.975 578 A HA 0.141 4.453 4.320 -0.014 0.000 0.215 578 A C 1.315 178.360 177.584 -0.899 0.000 1.170 578 A CA 0.655 52.370 52.037 -0.537 0.000 0.656 578 A CB -0.137 18.475 19.000 -0.646 0.000 0.821 578 A HN 0.218 nan 8.150 nan 0.000 0.449 579 F N -1.698 117.949 119.950 -0.506 0.000 2.784 579 F HA 0.383 4.901 4.527 -0.014 0.000 0.323 579 F C 1.574 177.096 175.800 -0.464 0.000 1.085 579 F CA 0.277 57.967 58.000 -0.518 0.000 1.196 579 F CB 0.440 39.000 39.000 -0.732 0.000 1.053 579 F HN 0.277 nan 8.300 nan 0.000 0.578 580 G N 1.533 110.082 108.800 -0.419 0.000 2.246 580 G HA2 -0.223 3.729 3.960 -0.014 0.000 0.273 580 G HA3 -0.223 3.729 3.960 -0.014 0.000 0.273 580 G C -0.229 173.984 174.900 -1.144 0.000 1.055 580 G CA 0.213 44.854 45.100 -0.764 0.000 0.851 580 G HN 0.366 nan 8.290 nan 0.000 0.500 581 E N -0.985 118.524 120.200 -1.153 0.000 2.433 581 E HA 0.495 4.836 4.350 -0.014 0.000 0.278 581 E C -0.711 175.594 176.600 -0.492 0.000 0.976 581 E CA -0.679 55.315 56.400 -0.678 0.000 0.793 581 E CB 1.576 31.158 29.700 -0.197 0.000 1.311 581 E HN 0.306 nan 8.360 nan 0.000 0.460 582 S N 0.752 116.423 115.700 -0.048 0.000 2.474 582 S HA 0.081 4.543 4.470 -0.014 0.000 0.276 582 S C 0.558 175.153 174.600 -0.009 0.000 1.227 582 S CA -0.293 58.024 58.200 0.195 0.000 1.050 582 S CB 0.026 63.370 63.200 0.241 0.000 0.939 582 S HN 0.674 nan 8.310 nan 0.000 0.490 583 Y N 5.410 125.570 120.300 -0.234 0.000 2.224 583 Y HA -0.143 4.398 4.550 -0.014 0.000 0.289 583 Y C 2.457 178.068 175.900 -0.482 0.000 1.146 583 Y CA 1.945 59.601 58.100 -0.740 0.000 1.182 583 Y CB -0.094 37.912 38.460 -0.755 0.000 0.983 583 Y HN 0.788 nan 8.280 nan 0.000 0.524 584 R N 0.419 120.791 120.500 -0.213 0.000 2.083 584 R HA -0.230 4.101 4.340 -0.014 0.000 0.237 584 R C 2.390 178.445 176.300 -0.408 0.000 1.137 584 R CA 1.626 57.578 56.100 -0.246 0.000 0.951 584 R CB -0.659 29.699 30.300 0.097 0.000 0.851 584 R HN 0.441 nan 8.270 nan 0.000 0.434 585 A N -0.033 122.655 122.820 -0.221 0.000 1.908 585 A HA -0.236 4.076 4.320 -0.014 0.000 0.218 585 A C 2.044 179.447 177.584 -0.302 0.000 1.181 585 A CA 1.518 53.444 52.037 -0.185 0.000 0.627 585 A CB -1.015 17.949 19.000 -0.060 0.000 0.818 585 A HN 0.628 nan 8.150 nan 0.000 0.445 586 Y N 0.903 120.878 120.300 -0.542 0.000 2.053 586 Y HA -0.252 4.290 4.550 -0.014 0.000 0.277 586 Y C 2.424 177.850 175.900 -0.790 0.000 1.159 586 Y CA 2.273 60.002 58.100 -0.618 0.000 1.125 586 Y CB -0.288 37.725 38.460 -0.745 0.000 0.969 586 Y HN 0.212 nan 8.280 nan 0.000 0.492 587 R N 0.540 120.266 120.500 -1.290 0.000 2.115 587 R HA -0.138 4.194 4.340 -0.014 0.000 0.230 587 R C 2.177 177.786 176.300 -1.151 0.000 1.111 587 R CA 1.453 56.606 56.100 -1.578 0.000 0.976 587 R CB -0.751 28.007 30.300 -2.570 0.000 0.870 587 R HN 0.525 nan 8.270 nan 0.000 0.445 588 E N 0.647 120.323 120.200 -0.874 0.000 2.072 588 E HA -0.142 4.199 4.350 -0.014 0.000 0.191 588 E C 1.268 177.682 176.600 -0.309 0.000 0.985 588 E CA 1.338 57.479 56.400 -0.432 0.000 0.801 588 E CB 0.098 29.659 29.700 -0.232 0.000 0.750 588 E HN 0.230 nan 8.360 nan 0.000 0.452 589 D N -0.000 120.199 120.400 -0.335 0.000 2.097 589 D HA -0.173 4.458 4.640 -0.014 0.000 0.197 589 D C 1.882 178.019 176.300 -0.271 0.000 0.984 589 D CA 0.861 54.717 54.000 -0.241 0.000 0.826 589 D CB -0.288 40.390 40.800 -0.203 0.000 0.973 589 D HN 0.185 nan 8.370 nan 0.000 0.460 590 M N 0.426 119.766 119.600 -0.434 0.000 2.106 590 M HA -0.176 4.296 4.480 -0.014 0.000 0.259 590 M C 2.157 178.310 176.300 -0.244 0.000 1.068 590 M CA 1.156 56.216 55.300 -0.399 0.000 1.100 590 M CB -0.051 32.164 32.600 -0.642 0.000 1.351 590 M HN 0.034 nan 8.290 nan 0.000 0.404 591 L N 0.161 121.233 121.223 -0.252 0.000 1.989 591 L HA -0.314 4.018 4.340 -0.014 0.000 0.211 591 L C 2.375 179.203 176.870 -0.070 0.000 1.071 591 L CA 1.792 56.568 54.840 -0.108 0.000 0.749 591 L CB -0.412 41.621 42.059 -0.043 0.000 0.890 591 L HN 0.327 nan 8.230 nan 0.000 0.431 592 K N -0.605 119.745 120.400 -0.084 0.000 2.020 592 K HA -0.256 4.055 4.320 -0.014 0.000 0.212 592 K C 2.154 178.727 176.600 -0.044 0.000 1.050 592 K CA 1.780 58.034 56.287 -0.056 0.000 0.929 592 K CB -0.227 32.238 32.500 -0.059 0.000 0.714 592 K HN 0.245 nan 8.250 nan 0.000 0.443 593 R N 0.945 121.410 120.500 -0.057 0.000 2.097 593 R HA -0.171 4.160 4.340 -0.014 0.000 0.236 593 R C 2.035 178.342 176.300 0.011 0.000 1.135 593 R CA 2.110 58.193 56.100 -0.029 0.000 0.934 593 R CB -0.275 29.995 30.300 -0.049 0.000 0.846 593 R HN 0.197 nan 8.270 nan 0.000 0.431 594 D N -0.881 119.529 120.400 0.017 0.000 2.144 594 D HA -0.101 4.531 4.640 -0.014 0.000 0.199 594 D C 1.765 178.082 176.300 0.029 0.000 0.984 594 D CA 1.418 55.477 54.000 0.100 0.000 0.834 594 D CB -0.265 40.614 40.800 0.131 0.000 0.955 594 D HN 0.229 nan 8.370 nan 0.000 0.465 595 T N 0.772 115.311 114.554 -0.025 0.000 2.788 595 T HA -0.076 4.265 4.350 -0.014 0.000 0.268 595 T C 2.171 176.838 174.700 -0.055 0.000 1.044 595 T CA 0.570 62.629 62.100 -0.069 0.000 1.139 595 T CB -0.177 68.660 68.868 -0.051 0.000 0.867 595 T HN 0.140 nan 8.240 nan 0.000 0.454 596 L N 0.500 121.714 121.223 -0.015 0.000 2.005 596 L HA -0.080 4.252 4.340 -0.014 0.000 0.207 596 L C 2.838 179.732 176.870 0.039 0.000 1.072 596 L CA 1.300 56.142 54.840 0.003 0.000 0.744 596 L CB -0.517 41.547 42.059 0.009 0.000 0.895 596 L HN 0.176 nan 8.230 nan 0.000 0.433 597 E N 0.610 120.865 120.200 0.091 0.000 2.070 597 E HA -0.271 4.071 4.350 -0.014 0.000 0.197 597 E C 1.995 178.750 176.600 0.258 0.000 1.004 597 E CA 1.331 57.859 56.400 0.214 0.000 0.805 597 E CB -0.384 29.492 29.700 0.292 0.000 0.744 597 E HN 0.227 nan 8.360 nan 0.000 0.451 598 L N 0.652 121.857 121.223 -0.030 0.000 2.013 598 L HA -0.264 4.068 4.340 -0.014 0.000 0.212 598 L C 2.312 179.142 176.870 -0.066 0.000 1.073 598 L CA 2.658 57.253 54.840 -0.407 0.000 0.753 598 L CB -1.177 40.448 42.059 -0.723 0.000 0.890 598 L HN 0.313 nan 8.230 nan 0.000 0.432 599 S N -0.706 114.967 115.700 -0.044 0.000 2.402 599 S HA -0.332 4.130 4.470 -0.014 0.000 0.233 599 S C 2.178 176.796 174.600 0.030 0.000 1.030 599 S CA 1.429 59.620 58.200 -0.014 0.000 1.003 599 S CB -0.924 62.263 63.200 -0.021 0.000 0.813 599 S HN 0.632 nan 8.310 nan 0.000 0.477 600 R N -0.550 120.001 120.500 0.085 0.000 2.285 600 R HA -0.024 4.307 4.340 -0.014 0.000 0.213 600 R C 0.893 177.109 176.300 -0.140 0.000 1.068 600 R CA 1.070 57.163 56.100 -0.011 0.000 1.004 600 R CB -0.132 30.163 30.300 -0.008 0.000 0.873 600 R HN 0.618 nan 8.270 nan 0.000 0.467 601 Y N -1.519 118.793 120.300 0.020 0.000 2.535 601 Y HA 0.202 4.744 4.550 -0.014 0.000 0.264 601 Y C 0.325 176.225 175.900 0.000 0.000 1.087 601 Y CA -0.281 57.845 58.100 0.043 0.000 1.285 601 Y CB 0.913 39.455 38.460 0.136 0.000 1.200 601 Y HN -0.256 nan 8.280 nan 0.000 0.514 602 V N 0.976 120.949 119.914 0.098 0.000 2.383 602 V HA 0.424 4.535 4.120 -0.014 0.000 0.275 602 V C 0.930 177.027 176.094 0.004 0.000 1.036 602 V CA -0.222 62.095 62.300 0.029 0.000 0.889 602 V CB 0.694 32.503 31.823 -0.024 0.000 0.985 602 V HN 0.323 nan 8.190 nan 0.000 0.459 603 A N 4.792 127.614 122.820 0.002 0.000 1.829 603 A HA -0.129 4.183 4.320 -0.014 0.000 0.216 603 A C 2.360 179.935 177.584 -0.016 0.000 1.207 603 A CA 2.110 54.141 52.037 -0.009 0.000 0.622 603 A CB -1.086 17.910 19.000 -0.006 0.000 0.846 603 A HN 1.146 nan 8.150 nan 0.000 0.447 604 S N -0.595 115.095 115.700 -0.017 0.000 2.461 604 S HA -0.128 4.334 4.470 -0.014 0.000 0.249 604 S C 0.909 175.493 174.600 -0.027 0.000 1.012 604 S CA 1.118 59.305 58.200 -0.022 0.000 0.982 604 S CB -0.744 62.442 63.200 -0.024 0.000 0.764 604 S HN 0.455 nan 8.310 nan 0.000 0.506 605 M N 2.246 121.829 119.600 -0.029 0.000 2.146 605 M HA 0.387 4.859 4.480 -0.014 0.000 0.352 605 M C 0.573 176.856 176.300 -0.029 0.000 1.343 605 M CA -0.282 54.997 55.300 -0.035 0.000 1.115 605 M CB 0.821 33.395 32.600 -0.044 0.000 1.657 605 M HN 0.350 nan 8.290 nan 0.000 0.471 606 A N 4.237 127.040 122.820 -0.028 0.000 2.531 606 A HA 0.042 4.353 4.320 -0.014 0.000 0.236 606 A C 0.612 178.181 177.584 -0.024 0.000 1.062 606 A CA 0.036 52.058 52.037 -0.024 0.000 0.760 606 A CB 0.093 19.079 19.000 -0.023 0.000 0.995 606 A HN 0.894 nan 8.150 nan 0.000 0.501 607 R N 0.780 121.268 120.500 -0.021 0.000 3.345 607 R HA -0.015 4.317 4.340 -0.014 0.000 0.211 607 R C 0.150 176.440 176.300 -0.017 0.000 1.921 607 R CA 0.883 56.972 56.100 -0.018 0.000 1.609 607 R CB -0.444 29.846 30.300 -0.018 0.000 1.039 607 R HN 0.820 nan 8.270 nan 0.000 0.537 608 Q N -1.969 117.819 119.800 -0.021 0.000 1.294 608 Q HA 0.043 4.375 4.340 -0.014 0.000 0.127 608 Q C -1.065 174.919 176.000 -0.026 0.000 0.753 608 Q CA -0.083 55.708 55.803 -0.021 0.000 0.608 608 Q CB 0.138 28.866 28.738 -0.016 0.000 1.112 608 Q HN 0.401 nan 8.270 nan 0.000 0.318 609 A N 0.820 123.622 122.820 -0.030 0.000 2.492 609 A HA 0.601 4.913 4.320 -0.014 0.000 0.254 609 A C 0.951 178.511 177.584 -0.040 0.000 1.091 609 A CA 0.786 52.804 52.037 -0.032 0.000 0.768 609 A CB 0.243 19.223 19.000 -0.033 0.000 1.028 609 A HN 0.293 nan 8.150 nan 0.000 0.498 610 G N 0.469 109.247 108.800 -0.036 0.000 2.593 610 G HA2 0.264 4.215 3.960 -0.014 0.000 0.279 610 G HA3 0.264 4.215 3.960 -0.014 0.000 0.279 610 G C 0.665 175.534 174.900 -0.051 0.000 1.329 610 G CA -0.359 44.717 45.100 -0.039 0.000 1.036 610 G HN 0.775 nan 8.290 nan 0.000 0.555 611 L N 0.786 121.978 121.223 -0.051 0.000 2.627 611 L HA 0.120 4.452 4.340 -0.014 0.000 0.233 611 L C 2.931 179.766 176.870 -0.057 0.000 1.144 611 L CA 0.433 55.235 54.840 -0.062 0.000 0.892 611 L CB -0.521 41.503 42.059 -0.058 0.000 1.039 611 L HN 0.620 nan 8.230 nan 0.000 0.442 612 A N 0.783 123.575 122.820 -0.048 0.000 1.894 612 A HA -0.267 4.045 4.320 -0.014 0.000 0.220 612 A C 2.234 179.787 177.584 -0.051 0.000 1.237 612 A CA 2.001 54.011 52.037 -0.044 0.000 0.660 612 A CB -0.328 18.650 19.000 -0.037 0.000 0.835 612 A HN 0.413 nan 8.150 nan 0.000 0.461 613 E N -0.311 119.856 120.200 -0.053 0.000 2.274 613 E HA 0.021 4.363 4.350 -0.014 0.000 0.194 613 E C 0.487 177.045 176.600 -0.069 0.000 0.996 613 E CA 0.150 56.516 56.400 -0.057 0.000 0.840 613 E CB -0.318 29.350 29.700 -0.053 0.000 0.772 613 E HN 0.645 nan 8.360 nan 0.000 0.491 614 L N 1.354 122.530 121.223 -0.077 0.000 2.395 614 L HA 0.143 4.474 4.340 -0.014 0.000 0.269 614 L C 0.988 177.797 176.870 -0.101 0.000 1.133 614 L CA -0.330 54.454 54.840 -0.093 0.000 0.812 614 L CB 0.906 42.905 42.059 -0.100 0.000 1.125 614 L HN -0.074 nan 8.230 nan 0.000 0.452 615 T N -0.815 113.664 114.554 -0.125 0.000 2.927 615 T HA 0.342 4.683 4.350 -0.014 0.000 0.281 615 T C -1.924 172.672 174.700 -0.173 0.000 0.998 615 T CA -1.903 60.109 62.100 -0.147 0.000 1.019 615 T CB 1.846 70.609 68.868 -0.176 0.000 1.061 615 T HN 0.302 nan 8.240 nan 0.000 0.518 616 P HA -0.033 nan 4.420 nan 0.000 0.216 616 P C 1.687 178.821 177.300 -0.278 0.000 1.153 616 P CA 1.099 64.090 63.100 -0.183 0.000 0.858 616 P CB -0.071 31.528 31.700 -0.168 0.000 0.789 617 I N -0.327 119.978 120.570 -0.442 0.000 2.163 617 I HA -0.278 3.883 4.170 -0.014 0.000 0.243 617 I C 1.869 177.678 176.117 -0.514 0.000 1.085 617 I CA 1.674 62.491 61.300 -0.805 0.000 1.347 617 I CB -0.831 36.556 38.000 -1.022 0.000 1.044 617 I HN -0.031 nan 8.210 nan 0.000 0.408 618 D N 0.973 121.175 120.400 -0.330 0.000 2.116 618 D HA -0.192 4.440 4.640 -0.014 0.000 0.193 618 D C 2.324 178.540 176.300 -0.140 0.000 0.998 618 D CA 1.404 55.283 54.000 -0.202 0.000 0.836 618 D CB -0.410 40.297 40.800 -0.154 0.000 0.951 618 D HN 0.327 nan 8.370 nan 0.000 0.449 619 L N 0.905 122.051 121.223 -0.128 0.000 2.017 619 L HA -0.150 4.181 4.340 -0.014 0.000 0.208 619 L C 2.467 179.332 176.870 -0.008 0.000 1.073 619 L CA 1.052 55.856 54.840 -0.061 0.000 0.745 619 L CB -0.453 41.576 42.059 -0.050 0.000 0.894 619 L HN -0.047 nan 8.230 nan 0.000 0.432 620 E N 0.046 120.234 120.200 -0.021 0.000 2.118 620 E HA -0.176 4.165 4.350 -0.014 0.000 0.195 620 E C 2.341 179.015 176.600 0.124 0.000 0.992 620 E CA 1.176 57.630 56.400 0.091 0.000 0.804 620 E CB -0.276 29.528 29.700 0.174 0.000 0.741 620 E HN 0.332 nan 8.360 nan 0.000 0.458 621 V N 1.302 121.247 119.914 0.052 0.000 2.453 621 V HA -0.186 3.926 4.120 -0.014 0.000 0.247 621 V C 2.443 178.576 176.094 0.065 0.000 1.048 621 V CA 1.048 63.393 62.300 0.076 0.000 1.049 621 V CB -0.379 31.451 31.823 0.011 0.000 0.672 621 V HN 0.194 nan 8.190 nan 0.000 0.457 622 L N -0.082 121.177 121.223 0.061 0.000 2.201 622 L HA -0.072 4.259 4.340 -0.014 0.000 0.212 622 L C 2.504 179.477 176.870 0.171 0.000 1.105 622 L CA 1.302 56.223 54.840 0.136 0.000 0.775 622 L CB -0.504 41.624 42.059 0.115 0.000 0.913 622 L HN 0.365 nan 8.230 nan 0.000 0.440 623 A N -1.467 121.430 122.820 0.129 0.000 2.030 623 A HA -0.072 4.240 4.320 -0.014 0.000 0.215 623 A C 0.583 178.218 177.584 0.085 0.000 1.164 623 A CA 0.817 52.924 52.037 0.117 0.000 0.697 623 A CB 0.072 19.153 19.000 0.136 0.000 0.827 623 A HN 0.312 nan 8.150 nan 0.000 0.457 624 D N -1.910 118.547 120.400 0.094 0.000 2.472 624 D HA 0.328 4.959 4.640 -0.014 0.000 0.248 624 D C -2.486 173.864 176.300 0.083 0.000 1.271 624 D CA -1.566 52.489 54.000 0.091 0.000 0.888 624 D CB 1.036 41.919 40.800 0.139 0.000 1.337 624 D HN -0.082 nan 8.370 nan 0.000 0.526 625 P HA -0.094 nan 4.420 nan 0.000 0.223 625 P C 1.293 178.624 177.300 0.052 0.000 1.144 625 P CA 0.499 63.614 63.100 0.025 0.000 0.783 625 P CB 0.313 31.996 31.700 -0.028 0.000 0.771 626 N N 0.113 118.864 118.700 0.084 0.000 2.120 626 N HA -0.146 4.586 4.740 -0.014 0.000 0.188 626 N C 1.388 177.036 175.510 0.229 0.000 1.024 626 N CA 1.223 54.375 53.050 0.171 0.000 0.852 626 N CB -0.277 38.347 38.487 0.228 0.000 1.003 626 N HN 0.153 nan 8.380 nan 0.000 0.424 627 K N 0.311 120.770 120.400 0.098 0.000 2.362 627 K HA -0.143 4.169 4.320 -0.014 0.000 0.202 627 K C 1.481 177.889 176.600 -0.320 0.000 1.045 627 K CA 0.394 56.424 56.287 -0.428 0.000 0.936 627 K CB -0.081 32.270 32.500 -0.249 0.000 0.747 627 K HN 0.075 nan 8.250 nan 0.000 0.467 628 L N 0.807 122.027 121.223 -0.004 0.000 2.610 628 L HA -0.064 4.267 4.340 -0.014 0.000 0.232 628 L C 0.837 177.749 176.870 0.070 0.000 1.149 628 L CA 1.389 56.272 54.840 0.071 0.000 0.872 628 L CB 0.126 42.236 42.059 0.084 0.000 0.992 628 L HN 0.055 nan 8.230 nan 0.000 0.447 629 Q N -1.443 118.415 119.800 0.097 0.000 2.186 629 Q HA 0.161 4.493 4.340 -0.014 0.000 0.241 629 Q C -0.214 175.953 176.000 0.279 0.000 0.849 629 Q CA 0.136 56.047 55.803 0.180 0.000 1.053 629 Q CB 0.489 29.344 28.738 0.196 0.000 1.146 629 Q HN 0.779 nan 8.270 nan 0.000 0.475 630 Y N -4.216 116.059 120.300 -0.043 0.000 2.670 630 Y HA 0.232 4.773 4.550 -0.014 0.000 0.293 630 Y C 1.494 177.259 175.900 -0.225 0.000 0.971 630 Y CA -0.054 57.986 58.100 -0.100 0.000 1.033 630 Y CB -0.005 38.394 38.460 -0.101 0.000 1.393 630 Y HN -0.098 nan 8.280 nan 0.000 0.543 631 K N 0.206 120.005 120.400 -1.003 0.000 2.137 631 K HA 0.105 4.417 4.320 -0.014 0.000 0.202 631 K C -0.201 175.788 176.600 -1.019 0.000 1.052 631 K CA 0.960 56.560 56.287 -1.144 0.000 0.961 631 K CB 0.281 31.728 32.500 -1.756 0.000 0.741 631 K HN 0.310 nan 8.250 nan 0.000 0.452 632 W N -0.651 120.448 121.300 -0.335 0.000 3.017 632 W HA 0.354 5.005 4.660 -0.014 0.000 0.341 632 W C -0.403 176.010 176.519 -0.177 0.000 1.180 632 W CA -0.763 56.430 57.345 -0.253 0.000 1.097 632 W CB 0.840 30.175 29.460 -0.209 0.000 1.468 632 W HN -0.300 nan 8.180 nan 0.000 0.584 633 T N -0.007 114.627 114.554 0.133 0.000 2.916 633 T HA 0.122 4.464 4.350 -0.014 0.000 0.292 633 T C 0.917 175.664 174.700 0.078 0.000 1.055 633 T CA -0.366 61.774 62.100 0.066 0.000 1.009 633 T CB 1.712 70.550 68.868 -0.050 0.000 1.118 633 T HN 0.526 nan 8.240 nan 0.000 0.497 634 E N 2.116 122.356 120.200 0.067 0.000 2.136 634 E HA -0.246 4.096 4.350 -0.014 0.000 0.202 634 E C 1.879 178.388 176.600 -0.152 0.000 1.019 634 E CA 2.025 58.355 56.400 -0.116 0.000 0.819 634 E CB -0.266 29.225 29.700 -0.347 0.000 0.739 634 E HN 0.666 nan 8.360 nan 0.000 0.458 635 A N 0.779 123.552 122.820 -0.077 0.000 2.019 635 A HA -0.158 4.154 4.320 -0.014 0.000 0.219 635 A C 1.519 179.073 177.584 -0.051 0.000 1.164 635 A CA 1.552 53.548 52.037 -0.069 0.000 0.644 635 A CB -0.180 18.794 19.000 -0.043 0.000 0.805 635 A HN 0.341 nan 8.150 nan 0.000 0.449 636 D N -0.676 119.705 120.400 -0.032 0.000 2.340 636 D HA 0.161 4.792 4.640 -0.014 0.000 0.220 636 D C -0.189 176.004 176.300 -0.178 0.000 1.039 636 D CA 0.399 54.343 54.000 -0.094 0.000 0.866 636 D CB 0.417 41.160 40.800 -0.096 0.000 0.913 636 D HN 0.172 nan 8.370 nan 0.000 0.523 637 V N 0.965 120.814 119.914 -0.108 0.000 2.540 637 V HA 0.128 4.239 4.120 -0.014 0.000 0.302 637 V C 0.272 176.330 176.094 -0.060 0.000 1.035 637 V CA -0.915 61.331 62.300 -0.091 0.000 0.873 637 V CB 2.088 33.930 31.823 0.031 0.000 0.992 637 V HN -0.074 nan 8.190 nan 0.000 0.428 638 S N 3.406 119.062 115.700 -0.074 0.000 2.626 638 S HA 0.062 4.524 4.470 -0.014 0.000 0.303 638 S C 1.580 176.172 174.600 -0.012 0.000 1.256 638 S CA 0.282 58.449 58.200 -0.054 0.000 1.069 638 S CB 0.896 64.057 63.200 -0.064 0.000 0.807 638 S HN 1.082 nan 8.310 nan 0.000 0.500 639 A N 4.540 127.346 122.820 -0.023 0.000 1.903 639 A HA -0.268 4.044 4.320 -0.014 0.000 0.219 639 A C 2.115 179.715 177.584 0.027 0.000 1.191 639 A CA 2.043 54.078 52.037 -0.004 0.000 0.638 639 A CB -0.736 18.247 19.000 -0.029 0.000 0.823 639 A HN 0.932 nan 8.150 nan 0.000 0.451 640 N N -0.112 118.591 118.700 0.004 0.000 2.381 640 N HA -0.106 4.626 4.740 -0.014 0.000 0.182 640 N C 1.300 176.819 175.510 0.014 0.000 1.025 640 N CA 1.577 54.630 53.050 0.005 0.000 0.888 640 N CB -0.383 38.096 38.487 -0.013 0.000 0.965 640 N HN 0.420 nan 8.380 nan 0.000 0.438 641 I N 1.042 121.620 120.570 0.013 0.000 2.494 641 I HA -0.084 4.078 4.170 -0.014 0.000 0.250 641 I C 2.426 178.563 176.117 0.033 0.000 1.112 641 I CA 0.626 61.930 61.300 0.005 0.000 1.438 641 I CB -1.503 36.481 38.000 -0.027 0.000 1.111 641 I HN 0.254 nan 8.210 nan 0.000 0.431 642 H N 1.989 121.045 119.070 -0.024 0.000 2.387 642 H HA -0.160 4.387 4.556 -0.014 0.000 0.299 642 H C 1.728 177.057 175.328 0.003 0.000 1.099 642 H CA 1.720 57.762 56.048 -0.010 0.000 1.315 642 H CB 0.373 30.124 29.762 -0.017 0.000 1.380 642 H HN 0.422 nan 8.280 nan 0.000 0.513 643 E N -0.143 120.112 120.200 0.091 0.000 2.209 643 E HA -0.113 4.228 4.350 -0.014 0.000 0.196 643 E C 2.365 178.984 176.600 0.032 0.000 0.993 643 E CA 0.929 57.355 56.400 0.044 0.000 0.819 643 E CB 0.195 29.913 29.700 0.030 0.000 0.745 643 E HN 0.277 nan 8.360 nan 0.000 0.477 644 V N 1.071 121.007 119.914 0.036 0.000 2.427 644 V HA -0.207 3.905 4.120 -0.014 0.000 0.248 644 V C 2.068 178.190 176.094 0.047 0.000 1.051 644 V CA 1.356 63.704 62.300 0.079 0.000 1.048 644 V CB -0.250 31.632 31.823 0.099 0.000 0.666 644 V HN 0.274 nan 8.190 nan 0.000 0.456 645 L N -1.644 119.557 121.223 -0.037 0.000 2.298 645 L HA 0.192 4.524 4.340 -0.014 0.000 0.209 645 L C 0.860 177.673 176.870 -0.094 0.000 1.084 645 L CA 0.539 55.330 54.840 -0.081 0.000 0.816 645 L CB -0.082 41.892 42.059 -0.143 0.000 0.967 645 L HN 0.276 nan 8.230 nan 0.000 0.460 646 M N -1.179 118.338 119.600 -0.138 0.000 2.724 646 M HA 0.433 4.905 4.480 -0.014 0.000 0.310 646 M C -0.909 175.429 176.300 0.063 0.000 1.217 646 M CA -0.305 54.963 55.300 -0.053 0.000 0.894 646 M CB 1.839 34.362 32.600 -0.128 0.000 1.719 646 M HN -0.080 nan 8.290 nan 0.000 0.479 647 H N -0.342 118.748 119.070 0.034 0.000 2.947 647 H HA 0.638 5.186 4.556 -0.013 0.000 0.354 647 H C -1.173 174.196 175.328 0.069 0.000 1.085 647 H CA -0.187 55.891 56.048 0.050 0.000 1.253 647 H CB 1.889 31.670 29.762 0.031 0.000 1.757 647 H HN 0.818 nan 8.280 nan 0.000 0.523 648 G N 1.957 110.780 108.800 0.038 0.000 2.753 648 G HA2 0.536 4.488 3.960 -0.014 0.000 0.285 648 G HA3 0.536 4.488 3.960 -0.014 0.000 0.285 648 G C -0.920 174.109 174.900 0.214 0.000 1.344 648 G CA -0.489 44.699 45.100 0.147 0.000 1.050 648 G HN 0.395 nan 8.290 nan 0.000 0.532 649 V N 0.088 120.085 119.914 0.138 0.000 2.715 649 V HA 0.417 4.529 4.120 -0.014 0.000 0.310 649 V C 0.454 176.596 176.094 0.081 0.000 1.054 649 V CA -0.809 61.561 62.300 0.117 0.000 0.928 649 V CB 1.640 33.518 31.823 0.092 0.000 1.007 649 V HN 1.041 nan 8.190 nan 0.000 0.437 650 S N 2.018 117.761 115.700 0.072 0.000 2.885 650 S HA -0.018 4.443 4.470 -0.014 0.000 0.334 650 S C 1.226 175.857 174.600 0.051 0.000 1.224 650 S CA -0.269 57.963 58.200 0.054 0.000 1.080 650 S CB 0.265 63.494 63.200 0.049 0.000 0.801 650 S HN 0.656 nan 8.310 nan 0.000 0.510 651 V N 2.446 122.384 119.914 0.041 0.000 2.546 651 V HA -0.229 3.883 4.120 -0.014 0.000 0.254 651 V C 2.313 178.435 176.094 0.047 0.000 1.076 651 V CA 2.236 64.560 62.300 0.041 0.000 1.087 651 V CB -1.319 30.520 31.823 0.026 0.000 0.674 651 V HN 0.780 nan 8.190 nan 0.000 0.470 652 E N 0.666 120.892 120.200 0.043 0.000 2.015 652 E HA -0.130 4.212 4.350 -0.014 0.000 0.191 652 E C 2.210 178.847 176.600 0.062 0.000 0.991 652 E CA 1.061 57.487 56.400 0.044 0.000 0.802 652 E CB -0.416 29.305 29.700 0.035 0.000 0.759 652 E HN 0.527 nan 8.360 nan 0.000 0.447 653 K N 0.147 120.585 120.400 0.064 0.000 2.103 653 K HA -0.147 4.164 4.320 -0.014 0.000 0.207 653 K C 2.359 179.032 176.600 0.122 0.000 1.048 653 K CA 1.847 58.181 56.287 0.079 0.000 0.930 653 K CB -0.420 32.114 32.500 0.057 0.000 0.716 653 K HN 0.373 nan 8.250 nan 0.000 0.444 654 T N -1.216 113.408 114.554 0.117 0.000 2.809 654 T HA -0.131 4.210 4.350 -0.014 0.000 0.260 654 T C 1.901 176.726 174.700 0.208 0.000 1.039 654 T CA 0.997 63.204 62.100 0.178 0.000 1.141 654 T CB -0.113 68.834 68.868 0.131 0.000 0.869 654 T HN 0.279 nan 8.240 nan 0.000 0.437 655 E N 1.254 121.526 120.200 0.120 0.000 2.097 655 E HA -0.277 4.064 4.350 -0.014 0.000 0.196 655 E C 2.541 179.185 176.600 0.074 0.000 1.000 655 E CA 1.148 57.594 56.400 0.077 0.000 0.804 655 E CB -0.200 29.527 29.700 0.045 0.000 0.740 655 E HN 0.560 nan 8.360 nan 0.000 0.454 656 R N -0.476 120.081 120.500 0.096 0.000 2.066 656 R HA -0.156 4.176 4.340 -0.014 0.000 0.232 656 R C 2.418 178.786 176.300 0.114 0.000 1.131 656 R CA 1.485 57.635 56.100 0.084 0.000 0.955 656 R CB -0.475 29.876 30.300 0.085 0.000 0.851 656 R HN 0.267 nan 8.270 nan 0.000 0.432 657 F N 1.213 121.195 119.950 0.054 0.000 2.102 657 F HA -0.218 4.301 4.527 -0.015 0.000 0.298 657 F C 1.917 177.774 175.800 0.095 0.000 1.105 657 F CA 1.379 59.439 58.000 0.101 0.000 1.239 657 F CB -0.539 38.531 39.000 0.116 0.000 0.991 657 F HN 0.068 nan 8.300 nan 0.000 0.474 658 L N 0.868 122.061 121.223 -0.050 0.000 2.127 658 L HA -0.175 4.156 4.340 -0.014 0.000 0.211 658 L C 2.608 179.312 176.870 -0.277 0.000 1.089 658 L CA 1.837 56.549 54.840 -0.214 0.000 0.757 658 L CB -0.785 41.267 42.059 -0.010 0.000 0.899 658 L HN 0.191 nan 8.230 nan 0.000 0.434 659 R N -0.874 119.530 120.500 -0.160 0.000 2.075 659 R HA -0.135 4.197 4.340 -0.014 0.000 0.232 659 R C 2.415 178.617 176.300 -0.163 0.000 1.126 659 R CA 1.424 57.440 56.100 -0.141 0.000 0.963 659 R CB -0.321 29.939 30.300 -0.067 0.000 0.858 659 R HN 0.582 nan 8.270 nan 0.000 0.435 660 S N -1.019 114.603 115.700 -0.131 0.000 2.603 660 S HA -0.008 4.453 4.470 -0.014 0.000 0.229 660 S C 1.558 176.124 174.600 -0.058 0.000 0.972 660 S CA 0.742 58.927 58.200 -0.026 0.000 0.935 660 S CB 0.294 63.546 63.200 0.086 0.000 0.769 660 S HN 0.142 nan 8.310 nan 0.000 0.536 661 V N 0.952 120.646 119.914 -0.368 0.000 2.599 661 V HA 0.280 4.392 4.120 -0.014 0.000 0.237 661 V C 1.459 177.113 176.094 -0.733 0.000 1.081 661 V CA 0.665 62.575 62.300 -0.651 0.000 1.107 661 V CB -0.325 30.918 31.823 -0.967 0.000 0.808 661 V HN 0.453 nan 8.190 nan 0.000 0.486 662 M N 1.544 120.715 119.600 -0.716 0.000 2.207 662 M HA 0.103 4.574 4.480 -0.014 0.000 0.311 662 M C -1.036 174.903 176.300 -0.601 0.000 1.127 662 M CA -0.813 53.963 55.300 -0.872 0.000 1.181 662 M CB 0.359 32.602 32.600 -0.595 0.000 1.409 662 M HN 0.059 nan 8.290 nan 0.000 0.461 663 P HA -0.003 nan 4.420 nan 0.000 0.215 663 P C 0.223 177.407 177.300 -0.193 0.000 1.160 663 P CA 1.411 64.333 63.100 -0.296 0.000 0.869 663 P CB 0.529 32.104 31.700 -0.208 0.000 0.782 664 R N 0.000 120.393 120.500 -0.179 0.000 2.786 664 R HA 0.000 4.332 4.340 -0.014 0.000 0.208 664 R CA 0.000 56.031 56.100 -0.115 0.000 0.921 664 R CB 0.000 30.260 30.300 -0.066 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535