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 1uvm_1_A DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.275 177.300 -0.042 0.000 1.155 1 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 1 P CB 0.000 31.686 31.700 -0.024 0.000 0.726 2 R N 0.355 120.834 120.500 -0.035 0.000 2.774 2 R HA 0.510 5.366 4.340 0.860 0.000 0.269 2 R C 0.304 176.568 176.300 -0.059 0.000 1.068 2 R CA -0.308 55.768 56.100 -0.041 0.000 1.180 2 R CB -0.141 30.143 30.300 -0.027 0.000 1.077 2 R HN 0.616 nan 8.270 nan 0.000 0.513 3 R N 0.501 120.958 120.500 -0.071 0.000 2.582 3 R HA 0.583 5.439 4.340 0.860 0.000 0.271 3 R C -0.515 175.736 176.300 -0.081 0.000 1.078 3 R CA -0.328 55.713 56.100 -0.100 0.000 1.127 3 R CB 0.660 30.889 30.300 -0.119 0.000 1.038 3 R HN 0.719 nan 8.270 nan 0.000 0.500 4 A N 3.699 126.464 122.820 -0.091 0.000 2.388 4 A HA 0.365 5.201 4.320 0.860 0.000 0.257 4 A C -1.955 175.588 177.584 -0.069 0.000 1.095 4 A CA -1.707 50.298 52.037 -0.052 0.000 0.791 4 A CB -0.099 18.883 19.000 -0.031 0.000 1.029 4 A HN 0.759 nan 8.150 nan 0.000 0.489 5 P HA 0.389 nan 4.420 nan 0.000 0.271 5 P C -0.644 176.494 177.300 -0.269 0.000 1.218 5 P CA 0.110 63.093 63.100 -0.195 0.000 0.780 5 P CB 1.230 32.846 31.700 -0.139 0.000 0.901 6 A N 2.716 125.271 122.820 -0.442 0.000 2.371 6 A HA 0.761 5.597 4.320 0.860 0.000 0.311 6 A C -1.311 175.937 177.584 -0.560 0.000 1.068 6 A CA -0.542 51.355 52.037 -0.232 0.000 0.744 6 A CB 0.831 19.932 19.000 0.169 0.000 1.239 6 A HN 0.373 nan 8.150 nan 0.000 0.435 7 F N 2.606 122.648 119.950 0.153 0.000 2.529 7 F HA 0.567 5.610 4.527 0.860 0.000 0.320 7 F C -2.116 173.777 175.800 0.155 0.000 1.118 7 F CA -2.231 55.850 58.000 0.134 0.000 0.915 7 F CB 2.258 41.337 39.000 0.133 0.000 1.161 7 F HN 0.349 nan 8.300 nan 0.000 0.445 8 P HA 0.048 nan 4.420 nan 0.000 0.274 8 P C 0.813 178.299 177.300 0.310 0.000 1.246 8 P CA -0.382 62.857 63.100 0.231 0.000 0.795 8 P CB 1.411 33.196 31.700 0.142 0.000 1.006 9 L N 2.574 123.997 121.223 0.333 0.000 2.081 9 L HA -0.219 4.637 4.340 0.860 0.000 0.212 9 L C 2.384 179.396 176.870 0.237 0.000 1.080 9 L CA 2.767 57.828 54.840 0.369 0.000 0.754 9 L CB -1.680 40.579 42.059 0.333 0.000 0.893 9 L HN 0.503 nan 8.230 nan 0.000 0.433 10 S N -1.768 114.036 115.700 0.173 0.000 2.442 10 S HA -0.151 4.835 4.470 0.860 0.000 0.236 10 S C 1.077 175.757 174.600 0.133 0.000 1.007 10 S CA 0.444 58.720 58.200 0.126 0.000 0.965 10 S CB -0.912 62.344 63.200 0.093 0.000 0.773 10 S HN 0.649 nan 8.310 nan 0.000 0.504 11 D N 0.666 121.170 120.400 0.173 0.000 2.399 11 D HA 0.050 5.206 4.640 0.860 0.000 0.241 11 D C 1.158 177.521 176.300 0.105 0.000 1.133 11 D CA -0.193 53.904 54.000 0.161 0.000 0.890 11 D CB 0.857 41.812 40.800 0.259 0.000 1.201 11 D HN 0.149 nan 8.370 nan 0.000 0.432 12 I N 3.874 124.479 120.570 0.057 0.000 2.335 12 I HA -0.236 4.450 4.170 0.860 0.000 0.251 12 I C 2.083 178.179 176.117 -0.036 0.000 1.129 12 I CA 1.532 62.845 61.300 0.022 0.000 1.402 12 I CB -0.059 37.947 38.000 0.011 0.000 1.069 12 I HN 0.401 nan 8.210 nan 0.000 0.424 13 K N 0.293 120.610 120.400 -0.138 0.000 2.097 13 K HA -0.099 4.737 4.320 0.860 0.000 0.206 13 K C 2.079 178.588 176.600 -0.152 0.000 1.049 13 K CA 1.390 57.512 56.287 -0.275 0.000 0.933 13 K CB -0.301 31.771 32.500 -0.713 0.000 0.717 13 K HN 0.484 nan 8.250 nan 0.000 0.442 14 A N 0.835 123.663 122.820 0.012 0.000 1.935 14 A HA -0.093 4.743 4.320 0.860 0.000 0.214 14 A C 2.023 179.704 177.584 0.162 0.000 1.178 14 A CA 0.682 52.815 52.037 0.160 0.000 0.640 14 A CB -0.115 19.129 19.000 0.408 0.000 0.825 14 A HN 0.120 nan 8.150 nan 0.000 0.447 15 Q N -0.516 119.379 119.800 0.158 0.000 2.096 15 Q HA -0.143 4.713 4.340 0.860 0.000 0.204 15 Q C 1.979 178.048 176.000 0.116 0.000 0.982 15 Q CA 1.283 57.196 55.803 0.183 0.000 0.850 15 Q CB -0.445 28.365 28.738 0.120 0.000 0.901 15 Q HN 0.562 nan 8.270 nan 0.000 0.422 16 M N 0.162 119.779 119.600 0.029 0.000 2.539 16 M HA -0.096 4.900 4.480 0.860 0.000 0.261 16 M C 1.911 178.200 176.300 -0.017 0.000 1.069 16 M CA 0.905 56.223 55.300 0.031 0.000 1.081 16 M CB -0.649 31.965 32.600 0.024 0.000 1.412 16 M HN 0.171 nan 8.290 nan 0.000 0.482 17 L N -1.613 119.455 121.223 -0.259 0.000 2.478 17 L HA 0.009 4.865 4.340 0.860 0.000 0.223 17 L C -0.120 176.276 176.870 -0.791 0.000 1.140 17 L CA 0.243 54.732 54.840 -0.586 0.000 0.842 17 L CB -0.244 41.231 42.059 -0.973 0.000 0.953 17 L HN 0.043 nan 8.230 nan 0.000 0.452 18 F N 0.119 120.086 119.950 0.029 0.000 2.460 18 F HA 0.569 5.612 4.527 0.860 0.000 0.341 18 F C 0.666 176.477 175.800 0.019 0.000 1.130 18 F CA -1.059 56.961 58.000 0.032 0.000 0.962 18 F CB 0.798 39.765 39.000 -0.055 0.000 1.171 18 F HN -0.217 nan 8.300 nan 0.000 0.436 19 A N 1.920 124.825 122.820 0.141 0.000 2.475 19 A HA 0.043 4.879 4.320 0.860 0.000 0.239 19 A C 0.603 178.274 177.584 0.145 0.000 1.087 19 A CA -0.316 51.788 52.037 0.112 0.000 0.779 19 A CB 0.087 19.188 19.000 0.168 0.000 1.036 19 A HN 0.789 nan 8.150 nan 0.000 0.506 20 N N 0.733 119.504 118.700 0.119 0.000 3.193 20 N HA 0.131 5.387 4.740 0.860 0.000 0.312 20 N C -0.749 174.812 175.510 0.085 0.000 1.261 20 N CA 0.074 53.177 53.050 0.089 0.000 1.208 20 N CB -0.845 37.683 38.487 0.068 0.000 1.471 20 N HN 0.729 nan 8.380 nan 0.000 0.548 21 N N -0.764 117.992 118.700 0.094 0.000 2.329 21 N HA 0.264 5.520 4.740 0.860 0.000 0.282 21 N C 0.660 176.197 175.510 0.045 0.000 1.198 21 N CA -0.823 52.271 53.050 0.074 0.000 0.790 21 N CB 0.815 39.362 38.487 0.100 0.000 1.579 21 N HN -0.238 nan 8.380 nan 0.000 0.475 22 I N 0.271 120.854 120.570 0.021 0.000 2.151 22 I HA -0.236 4.450 4.170 0.860 0.000 0.243 22 I C 1.883 177.982 176.117 -0.030 0.000 1.080 22 I CA 1.376 62.671 61.300 -0.008 0.000 1.339 22 I CB -0.946 37.050 38.000 -0.008 0.000 1.039 22 I HN 0.647 nan 8.210 nan 0.000 0.409 23 K N 1.075 121.472 120.400 -0.006 0.000 2.009 23 K HA -0.144 4.692 4.320 0.860 0.000 0.210 23 K C 2.246 178.772 176.600 -0.123 0.000 1.049 23 K CA 1.693 57.965 56.287 -0.026 0.000 0.929 23 K CB -0.455 32.076 32.500 0.052 0.000 0.714 23 K HN 0.339 nan 8.250 nan 0.000 0.440 24 A N 1.762 124.568 122.820 -0.024 0.000 1.877 24 A HA -0.204 4.632 4.320 0.860 0.000 0.216 24 A C 2.213 179.639 177.584 -0.263 0.000 1.186 24 A CA 1.406 53.387 52.037 -0.093 0.000 0.620 24 A CB -0.383 18.782 19.000 0.275 0.000 0.822 24 A HN 0.262 nan 8.150 nan 0.000 0.443 25 Q N -0.325 119.390 119.800 -0.142 0.000 2.084 25 Q HA -0.216 4.640 4.340 0.860 0.000 0.202 25 Q C 2.177 178.005 176.000 -0.286 0.000 0.978 25 Q CA 1.908 57.590 55.803 -0.203 0.000 0.844 25 Q CB -0.509 28.174 28.738 -0.091 0.000 0.898 25 Q HN 0.836 nan 8.270 nan 0.000 0.426 26 Q N -0.109 119.560 119.800 -0.219 0.000 2.124 26 Q HA -0.073 4.783 4.340 0.860 0.000 0.202 26 Q C 1.998 177.852 176.000 -0.243 0.000 0.977 26 Q CA 1.324 57.015 55.803 -0.186 0.000 0.850 26 Q CB -0.158 28.509 28.738 -0.119 0.000 0.901 26 Q HN 0.383 nan 8.270 nan 0.000 0.429 27 A N 0.858 123.426 122.820 -0.420 0.000 1.969 27 A HA -0.200 4.636 4.320 0.860 0.000 0.218 27 A C 2.234 179.607 177.584 -0.350 0.000 1.169 27 A CA 1.695 53.441 52.037 -0.485 0.000 0.635 27 A CB -0.614 17.585 19.000 -1.335 0.000 0.810 27 A HN 0.457 nan 8.150 nan 0.000 0.445 28 S N 0.080 115.310 115.700 -0.783 0.000 2.383 28 S HA -0.137 4.849 4.470 0.860 0.000 0.227 28 S C 1.697 176.177 174.600 -0.199 0.000 1.026 28 S CA 1.469 59.037 58.200 -1.054 0.000 0.981 28 S CB -0.305 61.635 63.200 -2.099 0.000 0.818 28 S HN 0.622 nan 8.310 nan 0.000 0.472 29 K N 0.613 120.892 120.400 -0.203 0.000 2.356 29 K HA 0.212 5.048 4.320 0.860 0.000 0.195 29 K C 0.839 177.425 176.600 -0.022 0.000 1.037 29 K CA -0.273 55.919 56.287 -0.158 0.000 1.014 29 K CB 0.016 32.402 32.500 -0.190 0.000 0.815 29 K HN 0.289 nan 8.250 nan 0.000 0.507 30 R N 2.733 123.281 120.500 0.081 0.000 2.486 30 R HA -0.073 4.783 4.340 0.860 0.000 0.304 30 R C -0.172 176.303 176.300 0.292 0.000 0.913 30 R CA 0.183 56.363 56.100 0.132 0.000 1.124 30 R CB 0.231 30.602 30.300 0.119 0.000 0.891 30 R HN 0.133 nan 8.270 nan 0.000 0.410 31 S N 4.230 120.050 115.700 0.201 0.000 2.681 31 S HA 0.226 5.212 4.470 0.860 0.000 0.270 31 S C -0.001 174.735 174.600 0.227 0.000 1.209 31 S CA -0.938 57.431 58.200 0.281 0.000 0.988 31 S CB 0.563 63.885 63.200 0.203 0.000 1.006 31 S HN 0.530 nan 8.310 nan 0.000 0.558 32 F N 1.359 121.378 119.950 0.114 0.000 2.608 32 F HA 0.407 5.450 4.527 0.860 0.000 0.380 32 F C 0.166 176.009 175.800 0.070 0.000 1.083 32 F CA 0.539 58.579 58.000 0.067 0.000 1.266 32 F CB 0.192 39.223 39.000 0.051 0.000 1.076 32 F HN 0.511 nan 8.300 nan 0.000 0.574 33 K N 4.851 124.864 120.400 -0.644 0.000 2.426 33 K HA 0.440 5.276 4.320 0.860 0.000 0.251 33 K C -1.386 174.847 176.600 -0.612 0.000 0.941 33 K CA -0.767 55.283 56.287 -0.396 0.000 0.808 33 K CB 1.876 34.254 32.500 -0.203 0.000 1.265 33 K HN 0.737 nan 8.250 nan 0.000 0.432 34 E N 0.489 120.484 120.200 -0.341 0.000 2.430 34 E HA 0.823 5.689 4.350 0.860 0.000 0.279 34 E C -0.815 175.476 176.600 -0.515 0.000 1.003 34 E CA -1.505 54.651 56.400 -0.406 0.000 0.801 34 E CB 1.938 31.550 29.700 -0.148 0.000 1.313 34 E HN 0.590 nan 8.360 nan 0.000 0.459 35 G N -0.306 107.900 108.800 -0.991 0.000 2.358 35 G HA2 0.475 4.951 3.960 0.860 0.000 0.301 35 G HA3 0.475 4.951 3.960 0.860 0.000 0.301 35 G C -1.135 173.184 174.900 -0.968 0.000 1.539 35 G CA -0.466 44.067 45.100 -0.944 0.000 0.893 35 G HN 0.761 nan 8.290 nan 0.000 0.636 36 A N 0.493 123.005 122.820 -0.513 0.000 2.531 36 A HA 0.544 5.380 4.320 0.860 0.000 0.236 36 A C 1.015 178.515 177.584 -0.141 0.000 1.062 36 A CA 0.481 52.428 52.037 -0.150 0.000 0.760 36 A CB -0.305 18.774 19.000 0.132 0.000 0.995 36 A HN 1.788 nan 8.150 nan 0.000 0.501 37 I N -0.902 119.620 120.570 -0.081 0.000 2.834 37 I HA 0.416 5.103 4.170 0.860 0.000 0.305 37 I C 0.400 176.495 176.117 -0.036 0.000 1.008 37 I CA -0.611 60.650 61.300 -0.065 0.000 1.273 37 I CB 0.980 38.951 38.000 -0.047 0.000 1.432 37 I HN 0.703 nan 8.210 nan 0.000 0.557 38 E N 2.527 122.701 120.200 -0.043 0.000 1.861 38 E HA 0.124 4.990 4.350 0.860 0.000 0.263 38 E C 0.400 176.947 176.600 -0.087 0.000 1.137 38 E CA -0.184 56.191 56.400 -0.042 0.000 0.944 38 E CB 0.471 30.155 29.700 -0.026 0.000 1.092 38 E HN 0.802 nan 8.360 nan 0.000 0.420 39 T N 3.234 117.711 114.554 -0.129 0.000 2.685 39 T HA -0.183 4.683 4.350 0.860 0.000 0.268 39 T C -0.193 174.156 174.700 -0.585 0.000 1.034 39 T CA 1.585 63.511 62.100 -0.291 0.000 1.149 39 T CB -0.092 68.592 68.868 -0.306 0.000 0.860 39 T HN 0.355 nan 8.240 nan 0.000 0.449 40 Y N -0.497 119.804 120.300 0.002 0.000 2.625 40 Y HA 0.382 5.448 4.550 0.860 0.000 0.338 40 Y C -0.319 175.587 175.900 0.010 0.000 1.123 40 Y CA -1.868 56.245 58.100 0.021 0.000 1.046 40 Y CB 1.139 39.653 38.460 0.090 0.000 1.299 40 Y HN -0.077 nan 8.280 nan 0.000 0.464 41 E N 0.704 121.009 120.200 0.176 0.000 2.558 41 E HA 0.264 5.130 4.350 0.860 0.000 0.255 41 E C 0.768 177.427 176.600 0.099 0.000 0.968 41 E CA 1.478 57.931 56.400 0.089 0.000 0.939 41 E CB 0.030 29.761 29.700 0.052 0.000 0.921 41 E HN 0.885 nan 8.360 nan 0.000 0.477 42 G N 3.301 112.138 108.800 0.062 0.000 2.168 42 G HA2 -0.282 4.194 3.960 0.860 0.000 0.263 42 G HA3 -0.282 4.194 3.960 0.860 0.000 0.263 42 G C -0.069 174.866 174.900 0.058 0.000 0.977 42 G CA 0.014 45.148 45.100 0.056 0.000 0.659 42 G HN 0.469 nan 8.290 nan 0.000 0.533 43 L N 0.721 121.978 121.223 0.057 0.000 2.404 43 L HA 0.626 5.482 4.340 0.860 0.000 0.272 43 L C -0.558 176.291 176.870 -0.034 0.000 0.980 43 L CA -0.986 53.864 54.840 0.017 0.000 0.836 43 L CB 1.146 43.214 42.059 0.016 0.000 1.238 43 L HN -0.029 nan 8.230 nan 0.000 0.408 44 L N 3.119 124.337 121.223 -0.008 0.000 2.371 44 L HA 0.221 5.077 4.340 0.860 0.000 0.272 44 L C 1.702 178.599 176.870 0.044 0.000 1.124 44 L CA 0.516 55.365 54.840 0.015 0.000 0.816 44 L CB 1.720 43.808 42.059 0.048 0.000 1.129 44 L HN 0.773 nan 8.230 nan 0.000 0.448 45 S N 1.444 117.208 115.700 0.106 0.000 2.440 45 S HA -0.110 4.876 4.470 0.860 0.000 0.238 45 S C 1.057 175.896 174.600 0.399 0.000 1.010 45 S CA 0.941 59.325 58.200 0.308 0.000 0.972 45 S CB -0.485 62.890 63.200 0.292 0.000 0.774 45 S HN 0.577 nan 8.310 nan 0.000 0.501 46 V N -1.238 118.824 119.914 0.247 0.000 3.271 46 V HA 0.312 4.948 4.120 0.860 0.000 0.327 46 V C 0.244 176.394 176.094 0.094 0.000 1.389 46 V CA -0.534 61.863 62.300 0.161 0.000 1.156 46 V CB -0.665 31.242 31.823 0.140 0.000 1.103 46 V HN 0.297 nan 8.190 nan 0.000 0.453 47 D N 2.204 122.689 120.400 0.142 0.000 2.487 47 D HA 0.084 5.240 4.640 0.860 0.000 0.243 47 D C -1.392 174.914 176.300 0.011 0.000 1.154 47 D CA -0.981 53.064 54.000 0.076 0.000 0.876 47 D CB 2.090 42.957 40.800 0.111 0.000 1.161 47 D HN 0.146 nan 8.370 nan 0.000 0.478 48 P HA -0.161 nan 4.420 nan 0.000 0.216 48 P C 1.080 178.253 177.300 -0.212 0.000 1.153 48 P CA 1.515 64.528 63.100 -0.145 0.000 0.858 48 P CB 0.244 31.863 31.700 -0.134 0.000 0.789 49 R N -2.008 118.307 120.500 -0.308 0.000 2.081 49 R HA -0.114 4.742 4.340 0.860 0.000 0.235 49 R C 2.203 178.197 176.300 -0.510 0.000 1.131 49 R CA 1.163 56.893 56.100 -0.617 0.000 0.960 49 R CB -1.388 28.176 30.300 -1.227 0.000 0.856 49 R HN 0.164 nan 8.270 nan 0.000 0.436 50 F N 1.167 120.911 119.950 -0.345 0.000 2.134 50 F HA -0.083 4.960 4.527 0.860 0.000 0.299 50 F C 1.694 177.538 175.800 0.073 0.000 1.097 50 F CA 1.330 59.336 58.000 0.010 0.000 1.264 50 F CB -0.210 38.901 39.000 0.186 0.000 1.001 50 F HN -0.097 nan 8.300 nan 0.000 0.479 51 L N -1.162 120.010 121.223 -0.085 0.000 2.056 51 L HA -0.208 4.648 4.340 0.860 0.000 0.207 51 L C 2.719 179.459 176.870 -0.217 0.000 1.078 51 L CA 1.491 56.132 54.840 -0.331 0.000 0.749 51 L CB -1.131 40.558 42.059 -0.617 0.000 0.901 51 L HN 0.178 nan 8.230 nan 0.000 0.433 52 S N 0.077 115.667 115.700 -0.183 0.000 2.359 52 S HA -0.248 4.738 4.470 0.860 0.000 0.224 52 S C 2.008 176.574 174.600 -0.057 0.000 1.035 52 S CA 1.434 59.563 58.200 -0.119 0.000 1.018 52 S CB -0.387 62.718 63.200 -0.158 0.000 0.876 52 S HN 0.414 nan 8.310 nan 0.000 0.448 53 F N 2.105 121.914 119.950 -0.235 0.000 2.069 53 F HA -0.082 4.961 4.527 0.860 0.000 0.298 53 F C 2.144 177.846 175.800 -0.163 0.000 1.113 53 F CA 2.009 59.890 58.000 -0.199 0.000 1.214 53 F CB -0.512 38.360 39.000 -0.212 0.000 0.978 53 F HN 0.136 nan 8.300 nan 0.000 0.474 54 K N -0.045 120.180 120.400 -0.292 0.000 2.103 54 K HA -0.246 4.590 4.320 0.860 0.000 0.207 54 K C 1.912 178.444 176.600 -0.114 0.000 1.048 54 K CA 1.562 57.671 56.287 -0.297 0.000 0.930 54 K CB -0.472 32.020 32.500 -0.013 0.000 0.716 54 K HN 0.366 nan 8.250 nan 0.000 0.444 55 N N 1.206 119.946 118.700 0.066 0.000 2.142 55 N HA -0.186 5.070 4.740 0.860 0.000 0.186 55 N C 1.697 177.217 175.510 0.018 0.000 1.023 55 N CA 1.384 54.485 53.050 0.085 0.000 0.852 55 N CB 0.106 38.699 38.487 0.177 0.000 0.998 55 N HN 0.180 nan 8.380 nan 0.000 0.424 56 E N -0.571 119.595 120.200 -0.056 0.000 2.028 56 E HA -0.156 4.710 4.350 0.860 0.000 0.191 56 E C 1.862 178.420 176.600 -0.070 0.000 0.988 56 E CA 0.805 57.181 56.400 -0.040 0.000 0.799 56 E CB -0.174 29.487 29.700 -0.065 0.000 0.755 56 E HN 0.331 nan 8.360 nan 0.000 0.447 57 L N 1.148 122.191 121.223 -0.300 0.000 2.012 57 L HA -0.217 4.639 4.340 0.860 0.000 0.210 57 L C 2.535 179.354 176.870 -0.085 0.000 1.073 57 L CA 2.522 57.180 54.840 -0.303 0.000 0.748 57 L CB -0.849 40.779 42.059 -0.718 0.000 0.891 57 L HN 0.186 nan 8.230 nan 0.000 0.431 58 S N -0.714 114.963 115.700 -0.039 0.000 2.359 58 S HA -0.254 4.732 4.470 0.860 0.000 0.224 58 S C 2.137 176.919 174.600 0.304 0.000 1.035 58 S CA 1.316 59.609 58.200 0.154 0.000 1.018 58 S CB -0.678 62.661 63.200 0.231 0.000 0.876 58 S HN 0.521 nan 8.310 nan 0.000 0.448 59 R N -0.335 120.385 120.500 0.367 0.000 2.066 59 R HA -0.013 4.843 4.340 0.860 0.000 0.232 59 R C 2.373 178.841 176.300 0.280 0.000 1.131 59 R CA 1.604 57.972 56.100 0.447 0.000 0.955 59 R CB -0.747 29.756 30.300 0.338 0.000 0.851 59 R HN 0.560 nan 8.270 nan 0.000 0.432 60 Y N 1.715 122.076 120.300 0.102 0.000 2.081 60 Y HA -0.260 4.806 4.550 0.860 0.000 0.280 60 Y C 1.991 177.933 175.900 0.071 0.000 1.163 60 Y CA 1.729 59.871 58.100 0.071 0.000 1.135 60 Y CB -0.319 38.114 38.460 -0.045 0.000 0.970 60 Y HN -0.039 nan 8.280 nan 0.000 0.498 61 L N -0.980 120.281 121.223 0.064 0.000 2.046 61 L HA -0.259 4.597 4.340 0.860 0.000 0.208 61 L C 2.325 179.172 176.870 -0.039 0.000 1.077 61 L CA 1.857 56.598 54.840 -0.165 0.000 0.747 61 L CB -1.004 40.491 42.059 -0.939 0.000 0.896 61 L HN 0.257 nan 8.230 nan 0.000 0.432 62 T N -1.212 113.393 114.554 0.085 0.000 2.746 62 T HA -0.188 4.678 4.350 0.860 0.000 0.267 62 T C 1.545 176.282 174.700 0.061 0.000 1.039 62 T CA 1.304 63.493 62.100 0.148 0.000 1.142 62 T CB -0.217 68.531 68.868 -0.200 0.000 0.866 62 T HN 0.306 nan 8.240 nan 0.000 0.444 63 D N 0.621 121.027 120.400 0.011 0.000 2.108 63 D HA -0.115 5.041 4.640 0.860 0.000 0.190 63 D C 1.992 178.101 176.300 -0.317 0.000 0.995 63 D CA 1.431 55.363 54.000 -0.114 0.000 0.834 63 D CB -0.242 40.496 40.800 -0.103 0.000 0.967 63 D HN 0.467 nan 8.370 nan 0.000 0.446 64 H N -1.864 116.878 119.070 -0.546 0.000 2.529 64 H HA 0.097 5.169 4.556 0.860 0.000 0.277 64 H C -0.014 174.717 175.328 -0.996 0.000 0.999 64 H CA 0.465 55.991 56.048 -0.871 0.000 1.256 64 H CB 0.041 28.999 29.762 -1.339 0.000 1.402 64 H HN 0.048 nan 8.280 nan 0.000 0.566 65 F N 0.388 120.356 119.950 0.030 0.000 2.622 65 F HA 0.343 5.386 4.527 0.860 0.000 0.338 65 F C -2.530 173.360 175.800 0.149 0.000 1.334 65 F CA -3.068 54.992 58.000 0.100 0.000 1.179 65 F CB 0.869 39.950 39.000 0.135 0.000 1.471 65 F HN -0.154 nan 8.300 nan 0.000 0.576 66 P HA 0.186 nan 4.420 nan 0.000 0.272 66 P C -0.055 177.301 177.300 0.093 0.000 1.223 66 P CA -0.253 62.909 63.100 0.104 0.000 0.784 66 P CB 0.773 32.500 31.700 0.046 0.000 0.923 67 A N 2.478 125.325 122.820 0.045 0.000 2.531 67 A HA 0.048 4.884 4.320 0.860 0.000 0.236 67 A C 0.168 177.723 177.584 -0.048 0.000 1.062 67 A CA 0.186 52.222 52.037 -0.002 0.000 0.760 67 A CB -0.704 18.305 19.000 0.015 0.000 0.995 67 A HN 0.622 nan 8.150 nan 0.000 0.501 68 N N 1.168 119.753 118.700 -0.191 0.000 2.976 68 N HA 0.422 5.678 4.740 0.860 0.000 0.255 68 N C -1.537 173.664 175.510 -0.515 0.000 1.312 68 N CA -0.262 52.456 53.050 -0.553 0.000 0.897 68 N CB 1.305 39.212 38.487 -0.967 0.000 1.184 68 N HN 0.353 nan 8.380 nan 0.000 0.497 69 V N 1.523 121.397 119.914 -0.066 0.000 2.531 69 V HA 0.175 4.811 4.120 0.860 0.000 0.301 69 V C -0.102 176.155 176.094 0.271 0.000 1.034 69 V CA -0.964 61.377 62.300 0.069 0.000 0.865 69 V CB 1.721 33.453 31.823 -0.152 0.000 0.995 69 V HN 0.529 nan 8.190 nan 0.000 0.424 70 D N 2.986 123.592 120.400 0.342 0.000 2.414 70 D HA 0.143 5.299 4.640 0.860 0.000 0.251 70 D C 0.876 177.260 176.300 0.139 0.000 1.252 70 D CA -0.455 53.680 54.000 0.226 0.000 0.999 70 D CB 0.789 41.663 40.800 0.124 0.000 1.093 70 D HN 0.447 nan 8.370 nan 0.000 0.515 71 E N -1.350 118.889 120.200 0.065 0.000 2.333 71 E HA -0.147 4.719 4.350 0.860 0.000 0.198 71 E C 0.569 176.981 176.600 -0.313 0.000 1.007 71 E CA 1.129 57.475 56.400 -0.089 0.000 0.845 71 E CB -0.582 29.007 29.700 -0.185 0.000 0.766 71 E HN 0.502 nan 8.360 nan 0.000 0.507 72 Y N -0.428 119.768 120.300 -0.173 0.000 2.571 72 Y HA 0.324 5.391 4.550 0.862 0.000 0.275 72 Y C 1.524 177.390 175.900 -0.056 0.000 1.179 72 Y CA 0.052 57.947 58.100 -0.343 0.000 1.242 72 Y CB 0.600 38.795 38.460 -0.442 0.000 1.126 72 Y HN 0.125 nan 8.280 nan 0.000 0.524 73 G N 0.950 109.874 108.800 0.207 0.000 2.166 73 G HA2 -0.335 4.141 3.960 0.860 0.000 0.260 73 G HA3 -0.335 4.141 3.960 0.860 0.000 0.260 73 G C 0.294 175.337 174.900 0.238 0.000 0.986 73 G CA -0.158 45.125 45.100 0.304 0.000 0.683 73 G HN 0.366 nan 8.290 nan 0.000 0.527 74 R N -0.243 120.392 120.500 0.225 0.000 2.390 74 R HA 0.546 5.402 4.340 0.860 0.000 0.291 74 R C 0.451 176.927 176.300 0.293 0.000 1.070 74 R CA -0.047 56.196 56.100 0.238 0.000 1.014 74 R CB 2.031 32.280 30.300 -0.086 0.000 1.007 74 R HN 0.446 nan 8.270 nan 0.000 0.466 75 V N 4.157 124.262 119.914 0.319 0.000 2.617 75 V HA 0.618 5.254 4.120 0.860 0.000 0.298 75 V C -1.011 175.260 176.094 0.296 0.000 1.048 75 V CA -0.256 62.158 62.300 0.190 0.000 0.964 75 V CB 0.921 32.774 31.823 0.050 0.000 1.004 75 V HN 0.817 nan 8.190 nan 0.000 0.466 76 Y N 2.970 123.348 120.300 0.131 0.000 2.896 76 Y HA 0.911 5.976 4.550 0.859 0.000 0.317 76 Y C 0.762 176.722 175.900 0.100 0.000 1.444 76 Y CA -0.355 57.819 58.100 0.124 0.000 1.084 76 Y CB 0.538 39.071 38.460 0.121 0.000 1.382 76 Y HN 1.503 nan 8.280 nan 0.000 0.471 77 G N 1.898 110.832 108.800 0.223 0.000 2.634 77 G HA2 -0.464 4.012 3.960 0.860 0.000 0.318 77 G HA3 -0.464 4.012 3.960 0.860 0.000 0.318 77 G C 0.525 175.450 174.900 0.043 0.000 1.207 77 G CA 1.108 46.279 45.100 0.119 0.000 0.987 77 G HN 1.593 nan 8.290 nan 0.000 0.547 78 N N 2.659 121.364 118.700 0.008 0.000 2.521 78 N HA 0.350 5.606 4.740 0.860 0.000 0.188 78 N C 1.794 177.321 175.510 0.029 0.000 1.146 78 N CA 1.617 54.703 53.050 0.060 0.000 0.893 78 N CB -0.431 38.143 38.487 0.146 0.000 0.975 78 N HN 2.337 nan 8.380 nan 0.000 0.451 79 G N -0.967 107.822 108.800 -0.017 0.000 2.179 79 G HA2 -0.261 4.216 3.960 0.860 0.000 0.257 79 G HA3 -0.261 4.216 3.960 0.860 0.000 0.257 79 G C -0.401 174.503 174.900 0.007 0.000 1.010 79 G CA 0.517 45.618 45.100 0.002 0.000 0.736 79 G HN 0.341 nan 8.290 nan 0.000 0.513 80 V N 0.617 120.523 119.914 -0.013 0.000 2.394 80 V HA 0.504 5.141 4.120 0.860 0.000 0.282 80 V C 1.373 177.426 176.094 -0.069 0.000 1.031 80 V CA 0.108 62.401 62.300 -0.013 0.000 0.881 80 V CB 1.483 33.355 31.823 0.082 0.000 0.982 80 V HN 0.568 nan 8.190 nan 0.000 0.451 81 R N 2.210 122.657 120.500 -0.088 0.000 2.365 81 R HA 0.371 5.227 4.340 0.860 0.000 0.223 81 R C 0.521 176.799 176.300 -0.037 0.000 0.899 81 R CA 0.021 56.084 56.100 -0.061 0.000 1.059 81 R CB 0.818 31.098 30.300 -0.034 0.000 1.086 81 R HN 0.598 nan 8.270 nan 0.000 0.522 82 T N 0.426 114.896 114.554 -0.141 0.000 2.718 82 T HA 0.173 5.039 4.350 0.860 0.000 0.306 82 T C -1.528 172.978 174.700 -0.324 0.000 1.485 82 T CA -0.785 61.230 62.100 -0.141 0.000 0.997 82 T CB 1.121 69.933 68.868 -0.093 0.000 1.504 82 T HN 0.388 nan 8.240 nan 0.000 0.497 83 N N 0.143 118.682 118.700 -0.269 0.000 2.263 83 N HA 0.246 5.502 4.740 0.860 0.000 0.239 83 N C -0.071 175.091 175.510 -0.579 0.000 1.317 83 N CA 0.091 52.896 53.050 -0.409 0.000 0.909 83 N CB -0.058 38.126 38.487 -0.505 0.000 1.171 83 N HN 0.479 nan 8.380 nan 0.000 0.492 84 F N -2.109 117.556 119.950 -0.476 0.000 2.668 84 F HA 0.394 5.438 4.527 0.861 0.000 0.301 84 F C 0.408 176.128 175.800 -0.134 0.000 1.106 84 F CA -0.547 57.322 58.000 -0.218 0.000 1.289 84 F CB -0.357 38.577 39.000 -0.110 0.000 1.006 84 F HN 0.360 nan 8.300 nan 0.000 0.535 85 F N -0.511 119.520 119.950 0.135 0.000 2.748 85 F HA 0.059 5.102 4.527 0.861 0.000 0.299 85 F C 2.316 178.091 175.800 -0.042 0.000 1.154 85 F CA 0.210 58.222 58.000 0.019 0.000 1.446 85 F CB -0.374 38.668 39.000 0.070 0.000 1.112 85 F HN 0.149 nan 8.300 nan 0.000 0.584 86 G N 1.378 110.277 108.800 0.165 0.000 2.470 86 G HA2 -0.271 4.205 3.960 0.860 0.000 0.220 86 G HA3 -0.271 4.205 3.960 0.860 0.000 0.220 86 G C 1.626 176.680 174.900 0.257 0.000 1.121 86 G CA 0.822 46.038 45.100 0.193 0.000 0.766 86 G HN 0.499 nan 8.290 nan 0.000 0.553 87 M N -0.395 119.317 119.600 0.187 0.000 2.562 87 M HA 0.242 5.238 4.480 0.860 0.000 0.257 87 M C 1.247 177.607 176.300 0.100 0.000 1.099 87 M CA 0.574 55.998 55.300 0.206 0.000 1.099 87 M CB 0.012 32.731 32.600 0.199 0.000 1.427 87 M HN -0.084 nan 8.290 nan 0.000 0.489 88 R N 1.974 122.366 120.500 -0.179 0.000 4.902 88 R HA 0.191 5.047 4.340 0.860 0.000 0.201 88 R C -0.732 175.322 176.300 -0.411 0.000 2.020 88 R CA 0.075 55.780 56.100 -0.658 0.000 1.674 88 R CB -0.707 28.887 30.300 -1.178 0.000 1.349 88 R HN 0.476 nan 8.270 nan 0.000 0.813 89 H N 0.591 119.773 119.070 0.186 0.000 2.622 89 H HA 0.246 5.318 4.556 0.860 0.000 0.363 89 H C 0.204 175.752 175.328 0.366 0.000 1.151 89 H CA -0.999 55.220 56.048 0.285 0.000 1.184 89 H CB 1.819 31.707 29.762 0.212 0.000 1.643 89 H HN -0.025 nan 8.280 nan 0.000 0.531 90 M N 2.584 122.464 119.600 0.467 0.000 3.011 90 M HA 0.088 5.084 4.480 0.860 0.000 0.292 90 M C -0.196 176.371 176.300 0.445 0.000 1.440 90 M CA -0.133 55.415 55.300 0.412 0.000 1.552 90 M CB -1.926 30.859 32.600 0.308 0.000 1.187 90 M HN 0.414 nan 8.290 nan 0.000 0.520 91 N N 1.304 120.219 118.700 0.359 0.000 2.359 91 N HA 0.217 5.473 4.740 0.860 0.000 0.261 91 N C 1.258 176.830 175.510 0.103 0.000 1.267 91 N CA 1.037 54.220 53.050 0.222 0.000 0.864 91 N CB 0.300 38.914 38.487 0.211 0.000 1.063 91 N HN 0.852 nan 8.380 nan 0.000 0.474 92 G N 1.304 110.086 108.800 -0.028 0.000 2.238 92 G HA2 -0.243 4.233 3.960 0.860 0.000 0.217 92 G HA3 -0.243 4.233 3.960 0.860 0.000 0.217 92 G C -0.280 174.352 174.900 -0.448 0.000 0.996 92 G CA -0.629 44.306 45.100 -0.276 0.000 0.632 92 G HN 0.468 nan 8.290 nan 0.000 0.503 93 F N 3.539 123.511 119.950 0.035 0.000 2.402 93 F HA 0.544 5.587 4.527 0.860 0.000 0.355 93 F C -1.715 174.151 175.800 0.110 0.000 1.123 93 F CA -2.197 55.847 58.000 0.074 0.000 1.021 93 F CB 2.358 41.419 39.000 0.101 0.000 1.160 93 F HN -0.116 nan 8.300 nan 0.000 0.451 94 P HA 0.246 nan 4.420 nan 0.000 0.282 94 P C -0.591 176.845 177.300 0.227 0.000 1.259 94 P CA -0.692 62.529 63.100 0.202 0.000 0.826 94 P CB 1.384 33.179 31.700 0.158 0.000 1.064 95 M N 0.819 120.507 119.600 0.147 0.000 2.232 95 M HA 0.393 5.389 4.480 0.860 0.000 0.321 95 M C -0.500 175.853 176.300 0.089 0.000 1.101 95 M CA 0.588 55.959 55.300 0.119 0.000 1.181 95 M CB -0.076 32.562 32.600 0.064 0.000 1.432 95 M HN 0.072 nan 8.290 nan 0.000 0.457 96 I N 2.498 123.106 120.570 0.063 0.000 2.466 96 I HA 0.545 5.231 4.170 0.860 0.000 0.289 96 I C -2.425 173.713 176.117 0.036 0.000 1.026 96 I CA -1.870 59.434 61.300 0.007 0.000 1.078 96 I CB 1.732 39.712 38.000 -0.033 0.000 1.249 96 I HN 0.627 nan 8.210 nan 0.000 0.429 97 P HA 0.501 nan 4.420 nan 0.000 0.286 97 P C -0.782 176.436 177.300 -0.137 0.000 1.292 97 P CA -0.469 62.598 63.100 -0.054 0.000 0.842 97 P CB 1.941 33.664 31.700 0.038 0.000 1.207 98 A N 0.234 122.895 122.820 -0.264 0.000 2.272 98 A HA 0.460 5.296 4.320 0.860 0.000 0.275 98 A C 0.537 177.944 177.584 -0.295 0.000 1.096 98 A CA -0.134 51.677 52.037 -0.377 0.000 0.822 98 A CB -0.461 17.991 19.000 -0.913 0.000 1.088 98 A HN 0.523 nan 8.150 nan 0.000 0.495 99 T N -0.509 113.948 114.554 -0.161 0.000 2.868 99 T HA 0.324 5.190 4.350 0.860 0.000 0.292 99 T C -0.825 173.905 174.700 0.050 0.000 1.028 99 T CA 0.142 62.220 62.100 -0.035 0.000 1.059 99 T CB 0.009 68.865 68.868 -0.020 0.000 0.991 99 T HN 0.396 nan 8.240 nan 0.000 0.531 100 W N 5.111 126.437 121.300 0.043 0.000 2.338 100 W HA 0.384 5.560 4.660 0.860 0.000 0.307 100 W C -1.824 174.740 176.519 0.074 0.000 1.167 100 W CA -2.057 55.351 57.345 0.105 0.000 1.208 100 W CB 0.755 30.288 29.460 0.121 0.000 1.228 100 W HN 0.491 nan 8.180 nan 0.000 0.499 101 P HA 0.035 nan 4.420 nan 0.000 0.271 101 P C -0.626 176.763 177.300 0.148 0.000 1.216 101 P CA -0.241 62.937 63.100 0.130 0.000 0.771 101 P CB 1.138 32.869 31.700 0.051 0.000 0.864 102 L N 3.275 124.556 121.223 0.096 0.000 2.477 102 L HA 0.093 4.949 4.340 0.860 0.000 0.272 102 L C 1.836 178.729 176.870 0.038 0.000 1.157 102 L CA 0.498 55.382 54.840 0.074 0.000 0.889 102 L CB 0.071 42.158 42.059 0.048 0.000 1.158 102 L HN 0.510 nan 8.230 nan 0.000 0.473 103 A N 2.573 125.407 122.820 0.023 0.000 2.066 103 A HA 0.043 4.879 4.320 0.860 0.000 0.218 103 A C 1.062 178.646 177.584 0.000 0.000 1.157 103 A CA 1.141 53.188 52.037 0.016 0.000 0.670 103 A CB -0.075 18.925 19.000 -0.000 0.000 0.804 103 A HN 0.585 nan 8.150 nan 0.000 0.453 104 S N -0.465 115.225 115.700 -0.017 0.000 2.619 104 S HA 0.394 5.380 4.470 0.860 0.000 0.280 104 S C -0.211 174.376 174.600 -0.021 0.000 1.150 104 S CA -0.335 57.855 58.200 -0.016 0.000 0.978 104 S CB 0.816 64.000 63.200 -0.027 0.000 1.041 104 S HN 0.446 nan 8.310 nan 0.000 0.485 105 N N 5.548 124.245 118.700 -0.005 0.000 2.235 105 N HA 0.138 5.394 4.740 0.860 0.000 0.209 105 N C 1.161 176.687 175.510 0.026 0.000 1.122 105 N CA -0.128 52.916 53.050 -0.010 0.000 0.845 105 N CB -0.376 38.100 38.487 -0.018 0.000 1.004 105 N HN 0.602 nan 8.380 nan 0.000 0.499 106 L N 0.291 121.530 121.223 0.027 0.000 2.012 106 L HA -0.127 4.729 4.340 0.860 0.000 0.210 106 L C 2.573 179.474 176.870 0.051 0.000 1.073 106 L CA 1.555 56.425 54.840 0.051 0.000 0.748 106 L CB -0.411 41.671 42.059 0.038 0.000 0.891 106 L HN 0.258 nan 8.230 nan 0.000 0.431 107 K N 0.843 121.253 120.400 0.015 0.000 2.097 107 K HA -0.225 4.611 4.320 0.860 0.000 0.205 107 K C 2.264 178.889 176.600 0.042 0.000 1.050 107 K CA 1.357 57.650 56.287 0.010 0.000 0.938 107 K CB -0.014 32.462 32.500 -0.040 0.000 0.718 107 K HN 0.101 nan 8.250 nan 0.000 0.442 108 K N 0.688 121.109 120.400 0.036 0.000 2.097 108 K HA -0.168 4.668 4.320 0.860 0.000 0.206 108 K C 2.094 178.830 176.600 0.226 0.000 1.049 108 K CA 1.334 57.662 56.287 0.068 0.000 0.933 108 K CB 0.025 32.485 32.500 -0.067 0.000 0.717 108 K HN 0.141 nan 8.250 nan 0.000 0.442 109 R N -0.119 120.523 120.500 0.237 0.000 2.062 109 R HA -0.046 4.810 4.340 0.860 0.000 0.229 109 R C 2.471 178.885 176.300 0.190 0.000 1.128 109 R CA 1.150 57.435 56.100 0.308 0.000 0.960 109 R CB -0.353 30.100 30.300 0.255 0.000 0.855 109 R HN 0.237 nan 8.270 nan 0.000 0.432 110 A N 1.680 124.578 122.820 0.131 0.000 1.883 110 A HA -0.214 4.622 4.320 0.860 0.000 0.217 110 A C 1.531 179.165 177.584 0.083 0.000 1.186 110 A CA 1.995 54.083 52.037 0.086 0.000 0.624 110 A CB -0.527 18.508 19.000 0.058 0.000 0.822 110 A HN 0.192 nan 8.150 nan 0.000 0.444 111 D N -0.182 120.275 120.400 0.095 0.000 2.263 111 D HA 0.028 5.184 4.640 0.860 0.000 0.208 111 D C 1.648 178.014 176.300 0.110 0.000 0.971 111 D CA 1.260 55.314 54.000 0.090 0.000 0.867 111 D CB -0.212 40.641 40.800 0.088 0.000 0.929 111 D HN 0.456 nan 8.370 nan 0.000 0.492 112 A N 0.171 123.083 122.820 0.152 0.000 2.307 112 A HA 0.039 4.875 4.320 0.860 0.000 0.218 112 A C 0.081 177.698 177.584 0.056 0.000 1.228 112 A CA -0.064 52.051 52.037 0.130 0.000 0.857 112 A CB 0.148 19.267 19.000 0.197 0.000 0.897 112 A HN -0.041 nan 8.150 nan 0.000 0.495 113 D N -0.501 119.932 120.400 0.056 0.000 2.723 113 D HA -0.134 5.022 4.640 0.860 0.000 0.236 113 D C -0.436 175.869 176.300 0.009 0.000 1.138 113 D CA 0.924 54.939 54.000 0.026 0.000 0.676 113 D CB -1.301 39.508 40.800 0.014 0.000 1.069 113 D HN 0.474 nan 8.370 nan 0.000 0.430 114 L N -0.312 120.932 121.223 0.035 0.000 2.334 114 L HA 0.693 5.549 4.340 0.860 0.000 0.272 114 L C 1.052 177.968 176.870 0.077 0.000 1.020 114 L CA -0.942 53.921 54.840 0.039 0.000 0.812 114 L CB 1.483 43.574 42.059 0.054 0.000 1.264 114 L HN 0.034 nan 8.230 nan 0.000 0.439 115 A N 0.561 123.430 122.820 0.081 0.000 2.386 115 A HA 0.256 5.092 4.320 0.860 0.000 0.248 115 A C 0.150 177.819 177.584 0.140 0.000 1.082 115 A CA -0.293 51.774 52.037 0.050 0.000 0.789 115 A CB 0.159 19.119 19.000 -0.067 0.000 1.025 115 A HN 0.845 nan 8.150 nan 0.000 0.490 116 D N -0.163 120.189 120.400 -0.080 0.000 2.427 116 D HA 0.433 5.589 4.640 0.860 0.000 0.224 116 D C 0.321 176.140 176.300 -0.802 0.000 1.157 116 D CA 0.526 54.446 54.000 -0.134 0.000 0.828 116 D CB -0.050 40.730 40.800 -0.034 0.000 0.974 116 D HN 0.927 nan 8.370 nan 0.000 0.498 117 G N -0.401 107.596 108.800 -1.338 0.000 2.316 117 G HA2 0.354 4.830 3.960 0.860 0.000 0.296 117 G HA3 0.354 4.830 3.960 0.860 0.000 0.296 117 G C -3.214 170.981 174.900 -1.174 0.000 1.399 117 G CA -1.163 42.826 45.100 -1.852 0.000 0.833 117 G HN -0.131 nan 8.290 nan 0.000 0.565 118 P HA 0.149 nan 4.420 nan 0.000 0.261 118 P C 1.112 178.393 177.300 -0.032 0.000 1.183 118 P CA -0.063 62.961 63.100 -0.127 0.000 0.761 118 P CB 1.370 33.061 31.700 -0.015 0.000 0.785 119 V N 2.766 122.756 119.914 0.127 0.000 2.871 119 V HA -0.034 4.602 4.120 0.860 0.000 0.256 119 V C 0.592 176.676 176.094 -0.017 0.000 1.082 119 V CA 2.156 64.443 62.300 -0.021 0.000 1.105 119 V CB -0.320 31.441 31.823 -0.103 0.000 0.713 119 V HN 0.684 nan 8.190 nan 0.000 0.473 120 S N -1.434 114.281 115.700 0.025 0.000 2.661 120 S HA 0.502 5.488 4.470 0.860 0.000 0.285 120 S C 0.439 175.040 174.600 0.001 0.000 1.138 120 S CA 0.112 58.308 58.200 -0.006 0.000 0.855 120 S CB 1.604 64.793 63.200 -0.018 0.000 1.136 120 S HN 0.186 nan 8.310 nan 0.000 0.484 121 E N 1.097 121.287 120.200 -0.018 0.000 2.150 121 E HA -0.083 4.783 4.350 0.860 0.000 0.193 121 E C 1.964 178.552 176.600 -0.021 0.000 0.985 121 E CA 1.406 57.796 56.400 -0.016 0.000 0.814 121 E CB -0.197 29.488 29.700 -0.025 0.000 0.752 121 E HN 0.642 nan 8.360 nan 0.000 0.466 122 R N 0.310 120.786 120.500 -0.041 0.000 2.082 122 R HA -0.181 4.675 4.340 0.860 0.000 0.234 122 R C 1.380 177.639 176.300 -0.069 0.000 1.136 122 R CA 2.125 58.182 56.100 -0.073 0.000 0.935 122 R CB -0.418 29.820 30.300 -0.102 0.000 0.842 122 R HN 0.182 nan 8.270 nan 0.000 0.430 123 D N 0.138 120.519 120.400 -0.032 0.000 2.123 123 D HA -0.188 4.968 4.640 0.860 0.000 0.196 123 D C 1.599 177.932 176.300 0.056 0.000 0.992 123 D CA 1.441 55.420 54.000 -0.035 0.000 0.833 123 D CB -0.686 40.210 40.800 0.160 0.000 0.954 123 D HN 0.320 nan 8.370 nan 0.000 0.455 124 N N 0.265 119.038 118.700 0.122 0.000 2.104 124 N HA -0.130 5.126 4.740 0.860 0.000 0.190 124 N C 1.729 177.305 175.510 0.111 0.000 1.024 124 N CA 0.947 54.093 53.050 0.161 0.000 0.853 124 N CB -0.289 38.240 38.487 0.070 0.000 1.008 124 N HN 0.163 nan 8.380 nan 0.000 0.424 125 L N -0.218 121.021 121.223 0.027 0.000 2.093 125 L HA -0.069 4.787 4.340 0.860 0.000 0.208 125 L C 2.241 179.095 176.870 -0.026 0.000 1.085 125 L CA 0.618 55.458 54.840 0.000 0.000 0.755 125 L CB -0.384 41.656 42.059 -0.032 0.000 0.904 125 L HN 0.231 nan 8.230 nan 0.000 0.435 126 L N -1.384 119.781 121.223 -0.097 0.000 2.093 126 L HA -0.193 4.663 4.340 0.860 0.000 0.208 126 L C 2.480 179.262 176.870 -0.146 0.000 1.085 126 L CA 1.403 56.131 54.840 -0.187 0.000 0.755 126 L CB -0.465 41.405 42.059 -0.314 0.000 0.904 126 L HN 0.137 nan 8.230 nan 0.000 0.435 127 F N -0.042 119.903 119.950 -0.009 0.000 2.146 127 F HA -0.152 4.895 4.527 0.868 0.000 0.298 127 F C 2.740 178.560 175.800 0.033 0.000 1.096 127 F CA 0.975 58.989 58.000 0.023 0.000 1.275 127 F CB -0.156 38.868 39.000 0.040 0.000 1.008 127 F HN -0.108 nan 8.300 nan 0.000 0.480 128 R N 0.035 120.658 120.500 0.205 0.000 2.115 128 R HA -0.090 4.766 4.340 0.860 0.000 0.230 128 R C 2.391 178.737 176.300 0.077 0.000 1.111 128 R CA 0.997 57.167 56.100 0.117 0.000 0.976 128 R CB -0.598 29.749 30.300 0.079 0.000 0.870 128 R HN 0.255 nan 8.270 nan 0.000 0.445 129 A N 1.306 124.145 122.820 0.032 0.000 1.902 129 A HA -0.100 4.736 4.320 0.860 0.000 0.217 129 A C 2.377 179.953 177.584 -0.013 0.000 1.181 129 A CA 1.580 53.607 52.037 -0.018 0.000 0.623 129 A CB -0.640 18.304 19.000 -0.094 0.000 0.818 129 A HN 0.376 nan 8.150 nan 0.000 0.443 130 A N -0.413 122.412 122.820 0.009 0.000 1.908 130 A HA -0.068 4.768 4.320 0.860 0.000 0.218 130 A C 2.228 180.006 177.584 0.323 0.000 1.181 130 A CA 1.980 54.117 52.037 0.166 0.000 0.627 130 A CB -1.008 18.191 19.000 0.332 0.000 0.818 130 A HN 0.434 nan 8.150 nan 0.000 0.445 131 V N 0.039 120.100 119.914 0.246 0.000 2.343 131 V HA -0.272 4.364 4.120 0.860 0.000 0.247 131 V C 2.627 178.879 176.094 0.263 0.000 1.051 131 V CA 2.245 64.688 62.300 0.239 0.000 1.036 131 V CB -0.852 30.987 31.823 0.027 0.000 0.654 131 V HN 0.537 nan 8.190 nan 0.000 0.451 132 R N -0.273 120.329 120.500 0.171 0.000 2.092 132 R HA -0.010 4.846 4.340 0.860 0.000 0.231 132 R C 2.256 178.687 176.300 0.220 0.000 1.119 132 R CA 1.165 57.364 56.100 0.165 0.000 0.970 132 R CB -0.348 30.013 30.300 0.102 0.000 0.864 132 R HN 0.423 nan 8.270 nan 0.000 0.440 133 L N -0.014 121.352 121.223 0.238 0.000 2.156 133 L HA -0.071 4.785 4.340 0.860 0.000 0.208 133 L C 2.437 179.551 176.870 0.406 0.000 1.095 133 L CA 1.123 56.162 54.840 0.332 0.000 0.770 133 L CB -0.266 41.974 42.059 0.302 0.000 0.914 133 L HN 0.216 nan 8.230 nan 0.000 0.439 134 M N -1.259 118.569 119.600 0.380 0.000 2.236 134 M HA -0.082 4.914 4.480 0.860 0.000 0.266 134 M C 1.137 177.396 176.300 -0.068 0.000 1.070 134 M CA 1.703 57.102 55.300 0.164 0.000 1.137 134 M CB 0.046 32.713 32.600 0.110 0.000 1.378 134 M HN 0.071 nan 8.290 nan 0.000 0.426 135 F N -0.419 119.573 119.950 0.071 0.000 2.639 135 F HA 0.131 5.173 4.527 0.859 0.000 0.300 135 F C 2.142 178.023 175.800 0.134 0.000 1.109 135 F CA -0.071 57.961 58.000 0.054 0.000 1.335 135 F CB -0.420 38.520 39.000 -0.100 0.000 1.014 135 F HN 0.123 nan 8.300 nan 0.000 0.537 136 S N -1.591 114.247 115.700 0.231 0.000 2.412 136 S HA 0.033 5.019 4.470 0.860 0.000 0.223 136 S C 0.662 175.316 174.600 0.088 0.000 1.048 136 S CA 0.488 58.792 58.200 0.173 0.000 0.954 136 S CB -0.007 63.288 63.200 0.158 0.000 0.840 136 S HN 0.157 nan 8.310 nan 0.000 0.503 137 D N 2.177 122.611 120.400 0.058 0.000 2.795 137 D HA 0.382 5.538 4.640 0.860 0.000 0.335 137 D C -0.718 175.573 176.300 -0.015 0.000 1.262 137 D CA -0.117 53.892 54.000 0.015 0.000 0.885 137 D CB 0.591 41.400 40.800 0.015 0.000 1.047 137 D HN 0.382 nan 8.370 nan 0.000 0.500 138 L N 0.749 121.956 121.223 -0.027 0.000 2.416 138 L HA 0.184 5.040 4.340 0.860 0.000 0.272 138 L C 0.874 177.711 176.870 -0.054 0.000 1.161 138 L CA -0.018 54.791 54.840 -0.051 0.000 0.845 138 L CB 0.761 42.783 42.059 -0.062 0.000 1.119 138 L HN -0.096 nan 8.230 nan 0.000 0.464 139 E N 3.207 123.377 120.200 -0.050 0.000 2.151 139 E HA 0.366 5.232 4.350 0.860 0.000 0.275 139 E C -2.328 174.253 176.600 -0.031 0.000 0.936 139 E CA -2.011 54.364 56.400 -0.040 0.000 0.777 139 E CB 1.505 31.183 29.700 -0.037 0.000 1.108 139 E HN 0.308 nan 8.360 nan 0.000 0.401 140 P HA 0.008 nan 4.420 nan 0.000 0.268 140 P C -0.520 176.784 177.300 0.006 0.000 1.205 140 P CA -0.087 63.015 63.100 0.003 0.000 0.771 140 P CB 0.616 32.322 31.700 0.009 0.000 0.858 141 V N -0.020 119.906 119.914 0.021 0.000 3.181 141 V HA 0.698 5.334 4.120 0.860 0.000 0.308 141 V C -2.886 173.230 176.094 0.037 0.000 1.214 141 V CA -3.095 59.215 62.300 0.017 0.000 1.053 141 V CB 1.460 33.285 31.823 0.003 0.000 1.069 141 V HN 0.215 nan 8.190 nan 0.000 0.441 142 P HA 0.291 nan 4.420 nan 0.000 0.271 142 P C -0.441 176.900 177.300 0.068 0.000 1.216 142 P CA -0.212 62.918 63.100 0.051 0.000 0.776 142 P CB 0.475 32.202 31.700 0.043 0.000 0.881 143 L N 3.706 124.975 121.223 0.077 0.000 2.369 143 L HA 0.140 4.996 4.340 0.860 0.000 0.279 143 L C 0.136 177.080 176.870 0.123 0.000 1.108 143 L CA -0.240 54.655 54.840 0.092 0.000 0.852 143 L CB 0.133 42.233 42.059 0.067 0.000 1.169 143 L HN 0.189 nan 8.230 nan 0.000 0.452 144 K N 6.938 127.419 120.400 0.136 0.000 2.156 144 K HA 0.520 5.356 4.320 0.860 0.000 0.271 144 K C -0.615 176.078 176.600 0.156 0.000 0.995 144 K CA -0.334 56.046 56.287 0.154 0.000 0.890 144 K CB 1.940 34.554 32.500 0.190 0.000 1.073 144 K HN 0.575 nan 8.250 nan 0.000 0.454 145 I N 2.227 122.881 120.570 0.140 0.000 2.433 145 I HA 0.292 4.978 4.170 0.860 0.000 0.292 145 I C 0.335 176.468 176.117 0.026 0.000 1.001 145 I CA -1.260 60.096 61.300 0.095 0.000 1.119 145 I CB 1.821 39.867 38.000 0.077 0.000 1.289 145 I HN 0.348 nan 8.210 nan 0.000 0.438 146 R N 6.000 126.490 120.500 -0.016 0.000 2.449 146 R HA 0.133 4.989 4.340 0.860 0.000 0.296 146 R C -0.480 175.779 176.300 -0.068 0.000 1.047 146 R CA 0.107 56.178 56.100 -0.048 0.000 1.018 146 R CB 0.387 30.658 30.300 -0.048 0.000 0.962 146 R HN 0.436 nan 8.270 nan 0.000 0.428 147 K N 3.043 123.411 120.400 -0.052 0.000 2.355 147 K HA 0.160 4.996 4.320 0.860 0.000 0.270 147 K C 0.969 177.525 176.600 -0.074 0.000 1.003 147 K CA 0.841 57.099 56.287 -0.048 0.000 0.957 147 K CB 0.542 33.033 32.500 -0.014 0.000 0.939 147 K HN 0.907 nan 8.250 nan 0.000 0.482 148 G N 1.173 109.926 108.800 -0.078 0.000 2.257 148 G HA2 -0.361 4.115 3.960 0.860 0.000 0.267 148 G HA3 -0.361 4.115 3.960 0.860 0.000 0.267 148 G C 0.263 175.105 174.900 -0.096 0.000 0.984 148 G CA 0.814 45.865 45.100 -0.082 0.000 0.626 148 G HN 0.752 nan 8.290 nan 0.000 0.540 149 S N -0.099 115.532 115.700 -0.116 0.000 2.572 149 S HA 0.556 5.542 4.470 0.860 0.000 0.279 149 S C 0.496 175.002 174.600 -0.157 0.000 1.341 149 S CA 0.784 58.911 58.200 -0.122 0.000 1.043 149 S CB 1.727 64.849 63.200 -0.131 0.000 0.887 149 S HN 1.569 nan 8.310 nan 0.000 0.516 150 S N 1.210 116.838 115.700 -0.120 0.000 2.586 150 S HA 0.331 5.317 4.470 0.860 0.000 0.274 150 S C 1.413 175.877 174.600 -0.226 0.000 1.281 150 S CA -0.107 58.013 58.200 -0.133 0.000 1.035 150 S CB 0.524 63.695 63.200 -0.048 0.000 0.962 150 S HN 1.028 nan 8.310 nan 0.000 0.512 151 T N 1.368 115.777 114.554 -0.241 0.000 3.148 151 T HA 0.121 4.987 4.350 0.860 0.000 0.253 151 T C 1.354 175.888 174.700 -0.278 0.000 1.134 151 T CA 0.369 62.348 62.100 -0.201 0.000 1.051 151 T CB -1.531 67.311 68.868 -0.043 0.000 0.959 151 T HN 0.781 nan 8.240 nan 0.000 0.525 152 C N 0.350 119.298 119.300 -0.586 0.000 0.168 152 C HA -0.252 4.724 4.460 0.860 0.000 0.017 152 C C 1.137 175.307 174.990 -1.366 0.000 0.171 152 C CA -0.719 57.545 59.018 -1.257 0.000 0.499 152 C CB -1.599 25.831 27.740 -0.516 0.000 3.212 152 C HN 0.742 nan 8.230 nan 0.000 1.118 153 I N 3.825 123.879 120.570 -0.859 0.000 2.752 153 I HA 0.069 4.755 4.170 0.860 0.000 0.289 153 I C -0.845 175.079 176.117 -0.322 0.000 1.197 153 I CA 0.007 61.036 61.300 -0.453 0.000 1.432 153 I CB 0.535 38.386 38.000 -0.248 0.000 1.359 153 I HN 0.579 nan 8.210 nan 0.000 0.571 154 P HA 0.025 nan 4.420 nan 0.000 0.272 154 P C 0.799 177.993 177.300 -0.178 0.000 1.276 154 P CA 0.580 63.482 63.100 -0.331 0.000 0.871 154 P CB 0.330 31.777 31.700 -0.423 0.000 1.313 155 Y N -0.801 119.507 120.300 0.012 0.000 2.365 155 Y HA 0.212 5.278 4.550 0.860 0.000 0.293 155 Y C 0.916 176.934 175.900 0.196 0.000 1.119 155 Y CA 0.052 58.205 58.100 0.089 0.000 1.203 155 Y CB -1.179 37.288 38.460 0.013 0.000 1.026 155 Y HN -0.285 nan 8.280 nan 0.000 0.549 156 F N 0.371 120.373 119.950 0.087 0.000 3.039 156 F HA -0.259 4.784 4.527 0.860 0.000 0.287 156 F C 0.670 176.477 175.800 0.012 0.000 0.956 156 F CA 0.529 58.529 58.000 0.001 0.000 0.971 156 F CB -1.603 37.371 39.000 -0.044 0.000 0.943 156 F HN -0.011 nan 8.300 nan 0.000 0.766 157 S N -0.118 115.633 115.700 0.085 0.000 2.585 157 S HA 0.584 5.570 4.470 0.860 0.000 0.277 157 S C 0.813 175.390 174.600 -0.037 0.000 1.241 157 S CA -0.270 57.950 58.200 0.033 0.000 1.041 157 S CB 1.048 64.249 63.200 0.002 0.000 0.987 157 S HN 0.344 nan 8.310 nan 0.000 0.512 158 N N 1.663 120.339 118.700 -0.040 0.000 2.170 158 N HA 0.194 5.450 4.740 0.860 0.000 0.222 158 N C -1.326 174.137 175.510 -0.079 0.000 1.218 158 N CA -0.272 52.735 53.050 -0.070 0.000 0.889 158 N CB 0.539 39.000 38.487 -0.044 0.000 1.083 158 N HN 0.643 nan 8.380 nan 0.000 0.520 159 D N 0.323 120.679 120.400 -0.073 0.000 2.312 159 D HA 0.068 5.224 4.640 0.860 0.000 0.252 159 D C 1.227 177.466 176.300 -0.101 0.000 1.150 159 D CA -0.274 53.681 54.000 -0.075 0.000 0.870 159 D CB 0.795 41.557 40.800 -0.064 0.000 1.153 159 D HN -0.140 nan 8.370 nan 0.000 0.457 160 M N 3.862 123.398 119.600 -0.107 0.000 2.108 160 M HA 0.039 5.035 4.480 0.860 0.000 0.261 160 M C 1.885 178.089 176.300 -0.160 0.000 1.066 160 M CA 2.081 57.292 55.300 -0.148 0.000 1.107 160 M CB -0.836 31.658 32.600 -0.177 0.000 1.356 160 M HN 0.558 nan 8.290 nan 0.000 0.406 161 G N -1.580 107.139 108.800 -0.134 0.000 2.446 161 G HA2 -0.231 4.246 3.960 0.860 0.000 0.217 161 G HA3 -0.231 4.246 3.960 0.860 0.000 0.217 161 G C 1.427 176.273 174.900 -0.090 0.000 1.168 161 G CA 1.555 46.585 45.100 -0.116 0.000 0.771 161 G HN 0.513 nan 8.290 nan 0.000 0.551 162 T N 0.704 115.206 114.554 -0.087 0.000 2.777 162 T HA -0.035 4.831 4.350 0.860 0.000 0.266 162 T C 2.317 176.988 174.700 -0.049 0.000 1.040 162 T CA 1.324 63.374 62.100 -0.083 0.000 1.141 162 T CB -0.121 68.689 68.868 -0.098 0.000 0.868 162 T HN 0.302 nan 8.240 nan 0.000 0.444 163 K N 0.604 120.965 120.400 -0.065 0.000 2.057 163 K HA -0.004 4.832 4.320 0.860 0.000 0.207 163 K C 2.186 178.852 176.600 0.110 0.000 1.049 163 K CA 0.924 57.194 56.287 -0.027 0.000 0.931 163 K CB -0.215 32.160 32.500 -0.209 0.000 0.714 163 K HN 0.251 nan 8.250 nan 0.000 0.440 164 I N 1.893 122.472 120.570 0.015 0.000 2.226 164 I HA -0.221 4.465 4.170 0.860 0.000 0.245 164 I C 2.055 178.194 176.117 0.036 0.000 1.100 164 I CA 1.594 62.912 61.300 0.030 0.000 1.374 164 I CB -1.004 36.964 38.000 -0.053 0.000 1.057 164 I HN 0.252 nan 8.210 nan 0.000 0.413 165 E N 0.848 121.050 120.200 0.004 0.000 2.051 165 E HA -0.186 4.680 4.350 0.860 0.000 0.192 165 E C 2.386 178.993 176.600 0.011 0.000 0.991 165 E CA 1.109 57.504 56.400 -0.007 0.000 0.799 165 E CB -0.106 29.572 29.700 -0.038 0.000 0.748 165 E HN 0.419 nan 8.360 nan 0.000 0.449 166 I N 1.336 121.935 120.570 0.048 0.000 2.163 166 I HA -0.317 4.369 4.170 0.860 0.000 0.243 166 I C 2.607 178.748 176.117 0.040 0.000 1.085 166 I CA 1.167 62.518 61.300 0.085 0.000 1.347 166 I CB -0.364 37.768 38.000 0.219 0.000 1.044 166 I HN 0.102 nan 8.210 nan 0.000 0.408 167 A N 0.302 123.179 122.820 0.095 0.000 1.902 167 A HA -0.219 4.617 4.320 0.860 0.000 0.217 167 A C 2.198 179.724 177.584 -0.097 0.000 1.181 167 A CA 1.670 53.664 52.037 -0.073 0.000 0.623 167 A CB -0.570 18.482 19.000 0.087 0.000 0.818 167 A HN 0.458 nan 8.150 nan 0.000 0.443 168 E N -0.931 119.248 120.200 -0.034 0.000 2.072 168 E HA -0.218 4.648 4.350 0.860 0.000 0.191 168 E C 2.288 178.852 176.600 -0.059 0.000 0.985 168 E CA 1.241 57.614 56.400 -0.045 0.000 0.801 168 E CB -0.163 29.529 29.700 -0.014 0.000 0.750 168 E HN 0.469 nan 8.360 nan 0.000 0.452 169 R N 1.431 121.904 120.500 -0.044 0.000 2.091 169 R HA -0.125 4.731 4.340 0.860 0.000 0.238 169 R C 1.982 178.237 176.300 -0.075 0.000 1.136 169 R CA 1.719 57.793 56.100 -0.042 0.000 0.959 169 R CB -0.693 29.598 30.300 -0.015 0.000 0.856 169 R HN 0.152 nan 8.270 nan 0.000 0.437 170 A N 0.535 123.293 122.820 -0.104 0.000 1.877 170 A HA -0.072 4.764 4.320 0.860 0.000 0.216 170 A C 2.252 179.733 177.584 -0.173 0.000 1.186 170 A CA 1.528 53.478 52.037 -0.145 0.000 0.620 170 A CB -0.628 18.246 19.000 -0.211 0.000 0.822 170 A HN 0.360 nan 8.150 nan 0.000 0.443 171 L N -1.052 120.027 121.223 -0.240 0.000 2.191 171 L HA -0.165 4.691 4.340 0.860 0.000 0.212 171 L C 2.472 179.333 176.870 -0.014 0.000 1.103 171 L CA 1.463 56.109 54.840 -0.323 0.000 0.769 171 L CB -0.498 41.309 42.059 -0.421 0.000 0.908 171 L HN 0.507 nan 8.230 nan 0.000 0.438 172 E N -0.160 120.008 120.200 -0.054 0.000 2.112 172 E HA -0.103 4.763 4.350 0.860 0.000 0.190 172 E C 1.546 178.071 176.600 -0.124 0.000 0.979 172 E CA 0.592 56.964 56.400 -0.046 0.000 0.814 172 E CB 0.399 30.070 29.700 -0.049 0.000 0.762 172 E HN 0.151 nan 8.360 nan 0.000 0.460 173 K N -0.388 119.893 120.400 -0.198 0.000 2.358 173 K HA 0.239 5.075 4.320 0.860 0.000 0.197 173 K C 1.329 177.688 176.600 -0.402 0.000 1.025 173 K CA 0.307 56.354 56.287 -0.401 0.000 1.104 173 K CB 0.929 33.024 32.500 -0.675 0.000 0.855 173 K HN 0.032 nan 8.250 nan 0.000 0.531 174 A N 1.627 124.343 122.820 -0.173 0.000 1.892 174 A HA -0.244 4.592 4.320 0.860 0.000 0.218 174 A C 2.198 179.683 177.584 -0.165 0.000 1.188 174 A CA 1.989 54.031 52.037 0.008 0.000 0.631 174 A CB -0.366 18.891 19.000 0.428 0.000 0.822 174 A HN 0.450 nan 8.150 nan 0.000 0.447 175 E N -0.492 119.264 120.200 -0.739 0.000 2.058 175 E HA -0.271 4.595 4.350 0.860 0.000 0.194 175 E C 2.068 178.322 176.600 -0.578 0.000 0.997 175 E CA 1.525 57.069 56.400 -1.427 0.000 0.801 175 E CB -0.193 28.499 29.700 -1.679 0.000 0.746 175 E HN 0.752 nan 8.360 nan 0.000 0.450 176 E N -0.418 119.537 120.200 -0.408 0.000 2.110 176 E HA -0.206 4.660 4.350 0.860 0.000 0.193 176 E C 1.880 178.431 176.600 -0.083 0.000 0.988 176 E CA 0.911 57.184 56.400 -0.212 0.000 0.804 176 E CB -0.106 29.483 29.700 -0.185 0.000 0.745 176 E HN 0.354 nan 8.360 nan 0.000 0.458 177 A N 0.742 123.500 122.820 -0.103 0.000 1.855 177 A HA -0.061 4.775 4.320 0.860 0.000 0.215 177 A C 2.452 180.076 177.584 0.067 0.000 1.191 177 A CA 1.609 53.688 52.037 0.069 0.000 0.613 177 A CB -1.257 17.788 19.000 0.074 0.000 0.829 177 A HN 0.437 nan 8.150 nan 0.000 0.442 178 G N 0.051 108.926 108.800 0.126 0.000 2.440 178 G HA2 -0.308 4.168 3.960 0.860 0.000 0.218 178 G HA3 -0.308 4.168 3.960 0.860 0.000 0.218 178 G C 1.420 176.409 174.900 0.148 0.000 1.154 178 G CA 1.198 46.426 45.100 0.213 0.000 0.767 178 G HN 0.515 nan 8.290 nan 0.000 0.552 179 N N 0.386 119.157 118.700 0.118 0.000 2.188 179 N HA -0.011 5.245 4.740 0.860 0.000 0.184 179 N C 2.297 177.806 175.510 -0.002 0.000 1.018 179 N CA 0.576 53.669 53.050 0.073 0.000 0.858 179 N CB -0.332 38.177 38.487 0.037 0.000 0.989 179 N HN 0.302 nan 8.380 nan 0.000 0.426 180 L N 0.528 121.737 121.223 -0.023 0.000 2.046 180 L HA -0.106 4.750 4.340 0.860 0.000 0.208 180 L C 2.361 179.109 176.870 -0.204 0.000 1.077 180 L CA 1.024 55.821 54.840 -0.073 0.000 0.747 180 L CB -0.281 41.758 42.059 -0.034 0.000 0.896 180 L HN 0.163 nan 8.230 nan 0.000 0.432 181 M N -0.871 118.575 119.600 -0.257 0.000 2.175 181 M HA -0.222 4.774 4.480 0.860 0.000 0.264 181 M C 2.264 178.307 176.300 -0.428 0.000 1.063 181 M CA 1.650 56.578 55.300 -0.620 0.000 1.119 181 M CB -0.355 32.018 32.600 -0.379 0.000 1.377 181 M HN 0.233 nan 8.290 nan 0.000 0.415 182 L N -0.105 121.031 121.223 -0.145 0.000 2.187 182 L HA -0.228 4.628 4.340 0.860 0.000 0.213 182 L C 1.962 178.793 176.870 -0.066 0.000 1.100 182 L CA 1.226 56.038 54.840 -0.047 0.000 0.765 182 L CB -0.456 41.622 42.059 0.032 0.000 0.904 182 L HN 0.415 nan 8.230 nan 0.000 0.437 183 Q N -0.570 119.165 119.800 -0.108 0.000 2.320 183 Q HA 0.131 4.987 4.340 0.860 0.000 0.201 183 Q C 1.328 177.270 176.000 -0.097 0.000 0.910 183 Q CA 0.483 56.242 55.803 -0.073 0.000 0.946 183 Q CB 0.588 29.294 28.738 -0.052 0.000 1.062 183 Q HN 0.539 nan 8.270 nan 0.000 0.503 184 G N 1.904 110.576 108.800 -0.212 0.000 2.148 184 G HA2 -0.310 4.166 3.960 0.860 0.000 0.254 184 G HA3 -0.310 4.166 3.960 0.860 0.000 0.254 184 G C 0.139 174.939 174.900 -0.166 0.000 0.981 184 G CA 0.067 45.079 45.100 -0.147 0.000 0.670 184 G HN 0.267 nan 8.290 nan 0.000 0.528 185 K N 0.312 120.544 120.400 -0.280 0.000 2.765 185 K HA 0.455 5.291 4.320 0.860 0.000 0.246 185 K C 1.034 177.549 176.600 -0.143 0.000 1.254 185 K CA -0.650 55.559 56.287 -0.131 0.000 1.219 185 K CB -0.249 32.201 32.500 -0.083 0.000 1.747 185 K HN 0.306 nan 8.250 nan 0.000 0.372 186 F N 0.646 120.617 119.950 0.035 0.000 2.146 186 F HA -0.197 4.846 4.527 0.860 0.000 0.298 186 F C 1.824 177.655 175.800 0.051 0.000 1.096 186 F CA 1.047 59.070 58.000 0.038 0.000 1.275 186 F CB 0.015 39.023 39.000 0.014 0.000 1.008 186 F HN 0.300 nan 8.300 nan 0.000 0.480 187 D N 0.323 120.849 120.400 0.210 0.000 2.123 187 D HA -0.167 4.989 4.640 0.860 0.000 0.196 187 D C 1.791 178.165 176.300 0.124 0.000 0.992 187 D CA 1.447 55.536 54.000 0.148 0.000 0.833 187 D CB -0.503 40.349 40.800 0.088 0.000 0.954 187 D HN 0.217 nan 8.370 nan 0.000 0.455 188 D N 0.288 120.727 120.400 0.065 0.000 2.117 188 D HA -0.094 5.062 4.640 0.860 0.000 0.197 188 D C 2.021 178.318 176.300 -0.006 0.000 0.987 188 D CA 1.330 55.335 54.000 0.009 0.000 0.829 188 D CB -0.364 40.428 40.800 -0.013 0.000 0.961 188 D HN 0.150 nan 8.370 nan 0.000 0.460 189 A N -0.010 122.838 122.820 0.046 0.000 1.933 189 A HA -0.219 4.617 4.320 0.860 0.000 0.218 189 A C 2.192 179.831 177.584 0.090 0.000 1.175 189 A CA 1.294 53.384 52.037 0.089 0.000 0.628 189 A CB -0.951 18.112 19.000 0.105 0.000 0.814 189 A HN 0.351 nan 8.150 nan 0.000 0.444 190 Y N 0.390 120.692 120.300 0.004 0.000 2.220 190 Y HA -0.164 4.902 4.550 0.860 0.000 0.291 190 Y C 2.470 178.325 175.900 -0.074 0.000 1.129 190 Y CA 2.141 60.225 58.100 -0.028 0.000 1.161 190 Y CB -0.411 38.031 38.460 -0.030 0.000 0.997 190 Y HN 0.424 nan 8.280 nan 0.000 0.522 191 Q N -0.204 119.518 119.800 -0.129 0.000 2.119 191 Q HA -0.142 4.714 4.340 0.860 0.000 0.201 191 Q C 2.215 178.044 176.000 -0.284 0.000 0.972 191 Q CA 1.862 57.533 55.803 -0.220 0.000 0.847 191 Q CB -0.092 28.607 28.738 -0.066 0.000 0.903 191 Q HN 0.503 nan 8.270 nan 0.000 0.433 192 L N -0.875 120.148 121.223 -0.332 0.000 2.162 192 L HA -0.064 4.792 4.340 0.860 0.000 0.205 192 L C 1.417 177.915 176.870 -0.621 0.000 1.086 192 L CA 0.695 55.209 54.840 -0.543 0.000 0.778 192 L CB 0.070 41.628 42.059 -0.834 0.000 0.928 192 L HN 0.318 nan 8.230 nan 0.000 0.446 193 H N -1.159 117.845 119.070 -0.109 0.000 2.923 193 H HA 0.205 5.277 4.556 0.860 0.000 0.268 193 H C 0.098 175.350 175.328 -0.127 0.000 1.148 193 H CA -0.146 55.848 56.048 -0.091 0.000 1.146 193 H CB 0.737 30.466 29.762 -0.054 0.000 1.607 193 H HN 0.106 nan 8.280 nan 0.000 0.566 194 Q N 0.077 119.751 119.800 -0.210 0.000 2.481 194 Q HA -0.181 4.675 4.340 0.860 0.000 0.272 194 Q C -0.308 175.658 176.000 -0.057 0.000 1.157 194 Q CA 0.739 56.327 55.803 -0.357 0.000 0.935 194 Q CB -1.990 26.582 28.738 -0.277 0.000 1.338 194 Q HN 0.483 nan 8.270 nan 0.000 0.494 195 M N -0.002 119.637 119.600 0.065 0.000 2.152 195 M HA 0.554 5.550 4.480 0.860 0.000 0.354 195 M C 0.863 177.287 176.300 0.208 0.000 1.173 195 M CA 0.350 55.718 55.300 0.113 0.000 1.110 195 M CB 1.039 33.699 32.600 0.100 0.000 1.366 195 M HN 0.412 nan 8.290 nan 0.000 0.415 196 G N 0.996 109.905 108.800 0.182 0.000 2.288 196 G HA2 0.368 4.844 3.960 0.860 0.000 0.227 196 G HA3 0.368 4.844 3.960 0.860 0.000 0.227 196 G C -0.124 174.729 174.900 -0.079 0.000 1.339 196 G CA -0.025 45.131 45.100 0.092 0.000 1.057 196 G HN 1.023 nan 8.290 nan 0.000 0.470 197 G N -0.426 108.127 108.800 -0.412 0.000 2.866 197 G HA2 0.425 4.901 3.960 0.860 0.000 0.274 197 G HA3 0.425 4.901 3.960 0.860 0.000 0.274 197 G C 0.772 175.467 174.900 -0.341 0.000 1.413 197 G CA 2.314 47.010 45.100 -0.674 0.000 0.997 197 G HN 2.948 nan 8.290 nan 0.000 0.559 198 A N -2.255 120.408 122.820 -0.261 0.000 2.566 198 A HA 0.694 5.530 4.320 0.860 0.000 0.290 198 A C -1.375 176.101 177.584 -0.181 0.000 1.071 198 A CA -0.223 51.724 52.037 -0.149 0.000 0.658 198 A CB 0.343 19.347 19.000 0.007 0.000 1.285 198 A HN 1.494 nan 8.150 nan 0.000 0.427 199 Y N -0.275 120.064 120.300 0.065 0.000 2.299 199 Y HA 0.471 5.537 4.550 0.861 0.000 0.326 199 Y C -0.183 175.840 175.900 0.205 0.000 1.164 199 Y CA 0.581 58.735 58.100 0.091 0.000 1.234 199 Y CB 1.129 39.612 38.460 0.040 0.000 1.219 199 Y HN 0.618 nan 8.280 nan 0.000 0.497 200 Y N 2.859 123.315 120.300 0.259 0.000 2.367 200 Y HA 0.505 5.571 4.550 0.860 0.000 0.342 200 Y C -0.854 175.179 175.900 0.222 0.000 0.979 200 Y CA -1.047 57.250 58.100 0.328 0.000 1.161 200 Y CB 0.534 39.228 38.460 0.391 0.000 1.155 200 Y HN 0.322 nan 8.280 nan 0.000 0.503 201 V N 8.538 128.338 119.914 -0.189 0.000 2.408 201 V HA 0.330 4.966 4.120 0.860 0.000 0.267 201 V C -0.079 175.674 176.094 -0.569 0.000 1.047 201 V CA -0.387 61.712 62.300 -0.335 0.000 0.937 201 V CB 0.365 31.971 31.823 -0.361 0.000 0.999 201 V HN 0.672 nan 8.190 nan 0.000 0.472 202 V N 3.204 122.858 119.914 -0.434 0.000 2.994 202 V HA 0.687 5.323 4.120 0.860 0.000 0.318 202 V C -1.184 174.550 176.094 -0.601 0.000 1.085 202 V CA -0.984 61.082 62.300 -0.390 0.000 0.998 202 V CB 1.924 33.731 31.823 -0.027 0.000 1.063 202 V HN 0.574 nan 8.190 nan 0.000 0.447 203 Y N 1.452 121.717 120.300 -0.059 0.000 2.328 203 Y HA 0.717 5.783 4.550 0.860 0.000 0.337 203 Y C 0.624 176.495 175.900 -0.050 0.000 0.966 203 Y CA -0.580 57.483 58.100 -0.062 0.000 1.136 203 Y CB 1.566 39.981 38.460 -0.075 0.000 1.170 203 Y HN 0.552 nan 8.280 nan 0.000 0.470 204 R N 1.613 122.153 120.500 0.066 0.000 2.787 204 R HA 0.839 5.695 4.340 0.860 0.000 0.271 204 R C -0.728 175.548 176.300 -0.041 0.000 0.993 204 R CA -1.227 54.868 56.100 -0.008 0.000 0.993 204 R CB 1.886 32.183 30.300 -0.005 0.000 1.155 204 R HN 0.740 nan 8.270 nan 0.000 0.486 205 A N 1.421 124.160 122.820 -0.135 0.000 2.310 205 A HA 0.184 5.020 4.320 0.860 0.000 0.299 205 A C -0.411 177.096 177.584 -0.129 0.000 1.147 205 A CA -0.384 51.577 52.037 -0.127 0.000 0.818 205 A CB 0.822 19.726 19.000 -0.160 0.000 1.096 205 A HN 0.683 nan 8.150 nan 0.000 0.495 206 Q N 2.157 121.893 119.800 -0.106 0.000 2.466 206 Q HA 0.276 5.132 4.340 0.860 0.000 0.242 206 Q C 0.774 176.688 176.000 -0.144 0.000 1.046 206 Q CA 0.113 55.852 55.803 -0.107 0.000 0.841 206 Q CB 0.676 29.360 28.738 -0.090 0.000 1.193 206 Q HN 0.937 nan 8.270 nan 0.000 0.508 207 S N 1.732 117.361 115.700 -0.119 0.000 2.440 207 S HA -0.091 4.895 4.470 0.860 0.000 0.238 207 S C 0.790 175.296 174.600 -0.156 0.000 1.010 207 S CA 1.168 59.306 58.200 -0.103 0.000 0.972 207 S CB -0.365 62.829 63.200 -0.009 0.000 0.774 207 S HN 0.680 nan 8.310 nan 0.000 0.501 208 T N -1.087 113.394 114.554 -0.122 0.000 2.861 208 T HA 0.708 5.575 4.350 0.860 0.000 0.287 208 T C -1.455 173.193 174.700 -0.087 0.000 1.003 208 T CA -0.818 61.253 62.100 -0.049 0.000 0.977 208 T CB 2.198 71.122 68.868 0.092 0.000 0.996 208 T HN 0.086 nan 8.240 nan 0.000 0.448 209 D N 0.649 121.052 120.400 0.005 0.000 2.583 209 D HA 0.591 5.747 4.640 0.860 0.000 0.248 209 D C -0.464 175.927 176.300 0.153 0.000 1.209 209 D CA -0.505 53.512 54.000 0.029 0.000 0.848 209 D CB 2.179 42.949 40.800 -0.050 0.000 1.431 209 D HN 0.928 nan 8.370 nan 0.000 0.436 210 A N 1.520 124.381 122.820 0.068 0.000 2.540 210 A HA 0.485 5.321 4.320 0.860 0.000 0.239 210 A C -0.044 177.560 177.584 0.034 0.000 1.061 210 A CA 0.415 52.486 52.037 0.057 0.000 0.758 210 A CB -0.128 18.885 19.000 0.022 0.000 0.991 210 A HN 0.471 nan 8.150 nan 0.000 0.502 211 I N 1.509 122.122 120.570 0.073 0.000 2.656 211 I HA 0.418 5.104 4.170 0.860 0.000 0.292 211 I C 0.106 176.368 176.117 0.242 0.000 1.144 211 I CA -0.420 60.906 61.300 0.043 0.000 1.038 211 I CB 2.863 40.863 38.000 -0.000 0.000 1.244 211 I HN 0.823 nan 8.210 nan 0.000 0.420 212 T N 2.721 117.390 114.554 0.192 0.000 2.930 212 T HA 0.713 5.579 4.350 0.860 0.000 0.290 212 T C -1.016 173.766 174.700 0.137 0.000 1.052 212 T CA -0.802 61.451 62.100 0.255 0.000 1.017 212 T CB 2.271 71.215 68.868 0.127 0.000 1.137 212 T HN 0.326 nan 8.240 nan 0.000 0.511 213 L N 2.019 123.259 121.223 0.027 0.000 2.294 213 L HA 0.477 5.333 4.340 0.860 0.000 0.283 213 L C -0.514 176.249 176.870 -0.179 0.000 1.015 213 L CA -0.411 54.210 54.840 -0.365 0.000 0.831 213 L CB 0.980 42.663 42.059 -0.627 0.000 1.217 213 L HN 0.800 nan 8.230 nan 0.000 0.420 214 D N 6.912 127.207 120.400 -0.176 0.000 2.346 214 D HA 0.125 5.281 4.640 0.860 0.000 0.260 214 D C -1.815 174.419 176.300 -0.111 0.000 1.252 214 D CA -1.582 52.359 54.000 -0.098 0.000 0.895 214 D CB 1.790 42.548 40.800 -0.071 0.000 1.097 214 D HN 0.405 nan 8.370 nan 0.000 0.489 215 P HA -0.161 nan 4.420 nan 0.000 0.215 215 P C 1.381 178.647 177.300 -0.058 0.000 1.157 215 P CA 0.910 63.974 63.100 -0.060 0.000 0.868 215 P CB 0.342 32.023 31.700 -0.031 0.000 0.788 216 K N -0.820 119.553 120.400 -0.045 0.000 2.009 216 K HA -0.118 4.718 4.320 0.860 0.000 0.210 216 K C 2.180 178.754 176.600 -0.043 0.000 1.049 216 K CA 1.958 58.223 56.287 -0.037 0.000 0.929 216 K CB -1.176 31.308 32.500 -0.026 0.000 0.714 216 K HN 0.110 nan 8.250 nan 0.000 0.440 217 T N -1.603 112.919 114.554 -0.053 0.000 3.057 217 T HA 0.117 4.983 4.350 0.860 0.000 0.254 217 T C 0.980 175.632 174.700 -0.081 0.000 1.094 217 T CA 1.299 63.366 62.100 -0.055 0.000 1.088 217 T CB -0.061 68.782 68.868 -0.042 0.000 0.934 217 T HN 0.491 nan 8.240 nan 0.000 0.497 218 G N 1.606 110.331 108.800 -0.124 0.000 2.162 218 G HA2 -0.193 4.283 3.960 0.860 0.000 0.260 218 G HA3 -0.193 4.283 3.960 0.860 0.000 0.260 218 G C -0.007 174.739 174.900 -0.256 0.000 0.976 218 G CA 0.315 45.307 45.100 -0.180 0.000 0.655 218 G HN 0.515 nan 8.290 nan 0.000 0.533 219 K N -0.358 119.919 120.400 -0.205 0.000 2.118 219 K HA 0.700 5.536 4.320 0.860 0.000 0.254 219 K C -0.012 176.465 176.600 -0.206 0.000 0.961 219 K CA -0.957 55.238 56.287 -0.154 0.000 0.876 219 K CB 0.841 33.330 32.500 -0.019 0.000 1.077 219 K HN 0.062 nan 8.250 nan 0.000 0.440 220 F N 0.271 120.210 119.950 -0.018 0.000 2.375 220 F HA 0.307 5.349 4.527 0.860 0.000 0.333 220 F C 0.475 176.378 175.800 0.171 0.000 1.104 220 F CA -0.637 57.374 58.000 0.018 0.000 1.149 220 F CB 1.095 40.117 39.000 0.037 0.000 1.190 220 F HN -0.063 nan 8.300 nan 0.000 0.533 221 V N 2.024 122.073 119.914 0.225 0.000 2.531 221 V HA 0.354 4.990 4.120 0.860 0.000 0.301 221 V C -0.531 175.428 176.094 -0.226 0.000 1.034 221 V CA -0.986 61.343 62.300 0.048 0.000 0.865 221 V CB 1.793 33.629 31.823 0.022 0.000 0.995 221 V HN 0.825 nan 8.190 nan 0.000 0.424 222 S N 3.706 119.044 115.700 -0.604 0.000 2.586 222 S HA 0.493 5.479 4.470 0.860 0.000 0.274 222 S C -0.257 174.180 174.600 -0.273 0.000 1.281 222 S CA -0.706 57.079 58.200 -0.691 0.000 1.035 222 S CB 1.066 63.574 63.200 -1.153 0.000 0.962 222 S HN 0.726 nan 8.310 nan 0.000 0.512 223 K N 1.533 121.836 120.400 -0.162 0.000 2.447 223 K HA 0.025 4.861 4.320 0.860 0.000 0.281 223 K C -0.779 175.781 176.600 -0.067 0.000 1.031 223 K CA -0.208 56.031 56.287 -0.080 0.000 1.019 223 K CB 0.052 32.526 32.500 -0.043 0.000 0.918 223 K HN 0.583 nan 8.250 nan 0.000 0.476 224 D N 3.583 123.956 120.400 -0.046 0.000 2.424 224 D HA 0.070 5.226 4.640 0.860 0.000 0.244 224 D C -0.204 176.074 176.300 -0.036 0.000 1.134 224 D CA 0.390 54.372 54.000 -0.031 0.000 0.881 224 D CB 0.651 41.443 40.800 -0.014 0.000 1.191 224 D HN 0.294 nan 8.370 nan 0.000 0.445 225 R N 2.553 123.026 120.500 -0.046 0.000 2.409 225 R HA 0.298 5.154 4.340 0.860 0.000 0.313 225 R C -0.177 176.058 176.300 -0.108 0.000 0.953 225 R CA -0.822 55.241 56.100 -0.063 0.000 0.849 225 R CB 1.154 31.421 30.300 -0.056 0.000 1.171 225 R HN 0.351 nan 8.270 nan 0.000 0.458 226 M N 3.190 122.720 119.600 -0.116 0.000 2.217 226 M HA 0.225 5.221 4.480 0.860 0.000 0.354 226 M C 0.468 176.609 176.300 -0.264 0.000 1.225 226 M CA -0.457 54.731 55.300 -0.186 0.000 1.137 226 M CB 0.571 33.088 32.600 -0.138 0.000 1.576 226 M HN 0.344 nan 8.290 nan 0.000 0.461 227 V N 0.077 119.721 119.914 -0.450 0.000 2.962 227 V HA 1.009 5.645 4.120 0.860 0.000 0.313 227 V C -0.492 175.292 176.094 -0.517 0.000 1.099 227 V CA -1.285 60.746 62.300 -0.447 0.000 0.971 227 V CB 1.589 33.123 31.823 -0.481 0.000 1.028 227 V HN 0.936 nan 8.190 nan 0.000 0.430 228 A N 2.400 125.051 122.820 -0.282 0.000 2.301 228 A HA 0.782 5.618 4.320 0.860 0.000 0.312 228 A C -0.193 177.457 177.584 0.109 0.000 1.182 228 A CA -0.339 51.572 52.037 -0.210 0.000 0.826 228 A CB 0.490 19.420 19.000 -0.116 0.000 1.134 228 A HN 1.171 nan 8.150 nan 0.000 0.501 229 D N 0.882 121.404 120.400 0.203 0.000 2.433 229 D HA 0.154 5.310 4.640 0.860 0.000 0.255 229 D C 0.789 177.060 176.300 -0.049 0.000 1.226 229 D CA -0.658 53.484 54.000 0.237 0.000 1.015 229 D CB 0.063 41.024 40.800 0.268 0.000 1.091 229 D HN 0.367 nan 8.370 nan 0.000 0.527 230 F N 0.207 119.745 119.950 -0.687 0.000 2.126 230 F HA -0.208 4.835 4.527 0.860 0.000 0.299 230 F C 2.038 177.601 175.800 -0.396 0.000 1.096 230 F CA 1.629 59.019 58.000 -1.016 0.000 1.255 230 F CB 0.049 38.195 39.000 -1.423 0.000 0.997 230 F HN 0.186 nan 8.300 nan 0.000 0.479 231 E N -0.198 119.790 120.200 -0.353 0.000 2.058 231 E HA -0.286 4.580 4.350 0.860 0.000 0.194 231 E C 2.085 178.536 176.600 -0.247 0.000 0.997 231 E CA 1.724 57.923 56.400 -0.335 0.000 0.801 231 E CB -1.078 28.570 29.700 -0.088 0.000 0.746 231 E HN 0.655 nan 8.360 nan 0.000 0.450 232 Y N 1.025 121.207 120.300 -0.196 0.000 2.128 232 Y HA -0.278 4.787 4.550 0.860 0.000 0.284 232 Y C 2.287 178.095 175.900 -0.153 0.000 1.154 232 Y CA 1.978 60.005 58.100 -0.121 0.000 1.149 232 Y CB -0.245 38.197 38.460 -0.031 0.000 0.976 232 Y HN 0.057 nan 8.280 nan 0.000 0.505 233 A N -0.364 122.495 122.820 0.064 0.000 1.877 233 A HA -0.207 4.629 4.320 0.860 0.000 0.216 233 A C 2.217 179.713 177.584 -0.146 0.000 1.186 233 A CA 2.448 54.505 52.037 0.032 0.000 0.620 233 A CB -1.568 17.524 19.000 0.154 0.000 0.822 233 A HN 0.537 nan 8.150 nan 0.000 0.443 234 V N -2.213 117.468 119.914 -0.388 0.000 3.041 234 V HA -0.035 4.601 4.120 0.860 0.000 0.260 234 V C 1.774 177.708 176.094 -0.267 0.000 1.105 234 V CA 1.996 64.076 62.300 -0.366 0.000 1.125 234 V CB -1.388 30.074 31.823 -0.602 0.000 0.730 234 V HN 0.678 nan 8.190 nan 0.000 0.479 235 T N -3.074 111.314 114.554 -0.277 0.000 3.176 235 T HA 0.464 5.330 4.350 0.860 0.000 0.263 235 T C 1.490 176.045 174.700 -0.242 0.000 1.021 235 T CA 0.438 62.399 62.100 -0.232 0.000 0.905 235 T CB -0.069 68.660 68.868 -0.232 0.000 1.057 235 T HN 1.478 nan 8.240 nan 0.000 0.558 236 G N 0.906 109.569 108.800 -0.228 0.000 2.258 236 G HA2 0.053 4.529 3.960 0.860 0.000 0.274 236 G HA3 0.053 4.529 3.960 0.860 0.000 0.274 236 G C 1.120 175.781 174.900 -0.398 0.000 1.021 236 G CA 0.396 45.365 45.100 -0.217 0.000 0.798 236 G HN 1.841 nan 8.290 nan 0.000 0.507 237 G N -1.420 106.904 108.800 -0.794 0.000 2.176 237 G HA2 -0.286 4.190 3.960 0.860 0.000 0.253 237 G HA3 -0.286 4.190 3.960 0.860 0.000 0.253 237 G C 0.859 175.337 174.900 -0.702 0.000 0.979 237 G CA 1.181 45.384 45.100 -1.495 0.000 0.641 237 G HN 0.739 nan 8.290 nan 0.000 0.530 238 E N -0.165 119.794 120.200 -0.402 0.000 2.152 238 E HA 0.019 4.885 4.350 0.860 0.000 0.192 238 E C 1.517 178.013 176.600 -0.173 0.000 0.983 238 E CA 1.018 57.285 56.400 -0.221 0.000 0.818 238 E CB 0.092 29.698 29.700 -0.157 0.000 0.758 238 E HN 0.723 nan 8.360 nan 0.000 0.467 239 Q N -1.667 118.015 119.800 -0.196 0.000 3.017 239 Q HA 0.488 5.344 4.340 0.860 0.000 0.299 239 Q C 0.027 176.004 176.000 -0.039 0.000 1.046 239 Q CA -0.378 55.366 55.803 -0.098 0.000 0.821 239 Q CB 2.088 30.773 28.738 -0.088 0.000 1.481 239 Q HN 0.182 nan 8.270 nan 0.000 0.494 240 G N 0.775 109.591 108.800 0.026 0.000 2.697 240 G HA2 -0.192 4.284 3.960 0.860 0.000 0.240 240 G HA3 -0.192 4.284 3.960 0.860 0.000 0.240 240 G C -0.592 174.452 174.900 0.241 0.000 1.346 240 G CA -0.165 45.001 45.100 0.111 0.000 0.887 240 G HN 1.042 nan 8.290 nan 0.000 0.569 241 S N -1.736 114.130 115.700 0.276 0.000 2.588 241 S HA 0.728 5.714 4.470 0.860 0.000 0.275 241 S C -1.089 173.568 174.600 0.095 0.000 1.130 241 S CA -0.524 57.824 58.200 0.248 0.000 0.855 241 S CB 2.326 65.618 63.200 0.154 0.000 1.116 241 S HN 1.814 nan 8.310 nan 0.000 0.472 242 L N 2.720 123.902 121.223 -0.068 0.000 2.305 242 L HA 0.872 5.728 4.340 0.860 0.000 0.284 242 L C -1.287 175.617 176.870 0.056 0.000 1.013 242 L CA -0.467 54.197 54.840 -0.293 0.000 0.819 242 L CB 0.615 42.401 42.059 -0.454 0.000 1.227 242 L HN 0.818 nan 8.230 nan 0.000 0.417 243 F N 3.058 122.932 119.950 -0.128 0.000 2.662 243 F HA 0.893 5.936 4.527 0.861 0.000 0.312 243 F C -0.495 175.275 175.800 -0.049 0.000 1.113 243 F CA -1.306 56.656 58.000 -0.064 0.000 0.951 243 F CB 0.741 39.718 39.000 -0.039 0.000 1.344 243 F HN 0.557 nan 8.300 nan 0.000 0.462 244 A N 1.611 124.487 122.820 0.093 0.000 2.454 244 A HA 0.669 5.505 4.320 0.860 0.000 0.260 244 A C 0.324 177.919 177.584 0.018 0.000 1.106 244 A CA 0.064 52.102 52.037 0.001 0.000 0.780 244 A CB -0.650 18.384 19.000 0.057 0.000 1.044 244 A HN 1.497 nan 8.150 nan 0.000 0.498 245 A N 2.535 125.293 122.820 -0.103 0.000 2.366 245 A HA 0.513 5.349 4.320 0.860 0.000 0.249 245 A C 0.834 178.451 177.584 0.056 0.000 1.084 245 A CA 0.332 52.343 52.037 -0.043 0.000 0.794 245 A CB 0.146 19.093 19.000 -0.089 0.000 1.034 245 A HN 1.357 nan 8.150 nan 0.000 0.491 246 S N -0.281 115.475 115.700 0.092 0.000 2.430 246 S HA 0.294 5.280 4.470 0.860 0.000 0.289 246 S C 0.581 175.255 174.600 0.124 0.000 1.143 246 S CA -0.536 57.728 58.200 0.108 0.000 1.067 246 S CB 0.174 63.438 63.200 0.108 0.000 0.964 246 S HN 0.594 nan 8.310 nan 0.000 0.485 247 K N 2.572 123.064 120.400 0.154 0.000 2.374 247 K HA 0.094 4.930 4.320 0.860 0.000 0.196 247 K C -0.043 176.749 176.600 0.319 0.000 1.023 247 K CA -0.209 56.212 56.287 0.224 0.000 1.103 247 K CB 0.180 32.796 32.500 0.194 0.000 0.848 247 K HN 0.583 nan 8.250 nan 0.000 0.528 248 D N 0.985 121.533 120.400 0.248 0.000 2.472 248 D HA -0.049 5.107 4.640 0.860 0.000 0.248 248 D C 0.453 176.828 176.300 0.124 0.000 1.174 248 D CA 0.099 54.216 54.000 0.195 0.000 0.883 248 D CB 1.158 42.033 40.800 0.125 0.000 1.149 248 D HN 0.217 nan 8.370 nan 0.000 0.488 249 A N 3.155 126.009 122.820 0.055 0.000 2.275 249 A HA 0.032 4.868 4.320 0.860 0.000 0.212 249 A C 2.189 179.749 177.584 -0.039 0.000 1.201 249 A CA 0.111 52.156 52.037 0.012 0.000 0.843 249 A CB 0.061 19.057 19.000 -0.007 0.000 0.873 249 A HN 0.537 nan 8.150 nan 0.000 0.492 250 S N 1.093 116.771 115.700 -0.036 0.000 2.372 250 S HA -0.306 4.680 4.470 0.860 0.000 0.227 250 S C 2.169 176.744 174.600 -0.042 0.000 1.044 250 S CA 1.970 60.143 58.200 -0.044 0.000 1.050 250 S CB -0.451 62.733 63.200 -0.027 0.000 0.901 250 S HN 0.881 nan 8.310 nan 0.000 0.447 251 R N 1.600 122.087 120.500 -0.023 0.000 2.154 251 R HA -0.120 4.736 4.340 0.860 0.000 0.248 251 R C 1.956 178.226 176.300 -0.051 0.000 1.155 251 R CA 1.599 57.681 56.100 -0.030 0.000 0.979 251 R CB -1.019 29.282 30.300 0.003 0.000 0.869 251 R HN 0.368 nan 8.270 nan 0.000 0.452 252 L N 0.704 121.899 121.223 -0.048 0.000 2.127 252 L HA -0.155 4.701 4.340 0.860 0.000 0.211 252 L C 2.648 179.498 176.870 -0.032 0.000 1.089 252 L CA 1.509 56.328 54.840 -0.036 0.000 0.757 252 L CB -0.573 41.327 42.059 -0.265 0.000 0.899 252 L HN 0.213 nan 8.230 nan 0.000 0.434 253 K N 1.069 121.431 120.400 -0.063 0.000 1.973 253 K HA -0.200 4.636 4.320 0.860 0.000 0.212 253 K C 2.095 178.658 176.600 -0.062 0.000 1.047 253 K CA 1.901 58.155 56.287 -0.055 0.000 0.937 253 K CB -0.310 32.156 32.500 -0.057 0.000 0.721 253 K HN 0.391 nan 8.250 nan 0.000 0.440 254 E N 0.616 120.769 120.200 -0.078 0.000 2.106 254 E HA -0.237 4.629 4.350 0.860 0.000 0.192 254 E C 1.987 178.496 176.600 -0.151 0.000 0.984 254 E CA 1.341 57.687 56.400 -0.090 0.000 0.806 254 E CB -0.384 29.269 29.700 -0.078 0.000 0.750 254 E HN 0.534 nan 8.360 nan 0.000 0.458 255 Q N -0.630 119.019 119.800 -0.252 0.000 2.083 255 Q HA -0.066 4.790 4.340 0.860 0.000 0.198 255 Q C 0.918 176.520 176.000 -0.664 0.000 0.969 255 Q CA 1.435 56.916 55.803 -0.537 0.000 0.838 255 Q CB 0.053 28.267 28.738 -0.873 0.000 0.900 255 Q HN 0.407 nan 8.270 nan 0.000 0.436 256 Y N -2.168 118.132 120.300 -0.000 0.000 2.527 256 Y HA 0.337 5.403 4.550 0.860 0.000 0.247 256 Y C 1.072 176.971 175.900 -0.000 0.000 1.138 256 Y CA 0.100 58.213 58.100 0.021 0.000 1.228 256 Y CB 1.143 39.631 38.460 0.047 0.000 1.252 256 Y HN 0.117 nan 8.280 nan 0.000 0.531 257 G N 1.412 110.249 108.800 0.061 0.000 2.176 257 G HA2 -0.300 4.176 3.960 0.860 0.000 0.252 257 G HA3 -0.300 4.176 3.960 0.860 0.000 0.252 257 G C -0.020 174.900 174.900 0.033 0.000 1.024 257 G CA 0.147 45.267 45.100 0.033 0.000 0.755 257 G HN 0.332 nan 8.290 nan 0.000 0.507 258 I N 0.616 121.207 120.570 0.034 0.000 2.396 258 I HA 0.211 4.897 4.170 0.860 0.000 0.292 258 I C 0.232 176.313 176.117 -0.060 0.000 0.999 258 I CA -0.598 60.694 61.300 -0.014 0.000 1.310 258 I CB 1.135 39.101 38.000 -0.056 0.000 1.404 258 I HN 0.030 nan 8.210 nan 0.000 0.496 259 D N 6.068 126.425 120.400 -0.072 0.000 2.339 259 D HA 0.151 5.307 4.640 0.860 0.000 0.256 259 D C -0.850 175.368 176.300 -0.138 0.000 1.214 259 D CA -0.063 53.880 54.000 -0.094 0.000 0.877 259 D CB 1.271 42.014 40.800 -0.094 0.000 1.111 259 D HN 0.080 nan 8.370 nan 0.000 0.478 260 V N 6.405 126.238 119.914 -0.134 0.000 2.328 260 V HA 0.255 4.891 4.120 0.860 0.000 0.278 260 V C -1.849 174.150 176.094 -0.158 0.000 1.021 260 V CA -1.401 60.803 62.300 -0.161 0.000 0.838 260 V CB 1.081 32.827 31.823 -0.128 0.000 0.999 260 V HN 0.489 nan 8.190 nan 0.000 0.447 261 P HA 0.188 nan 4.420 nan 0.000 0.272 261 P C -0.434 176.867 177.300 0.001 0.000 1.240 261 P CA -0.425 62.585 63.100 -0.150 0.000 0.791 261 P CB 0.485 31.992 31.700 -0.320 0.000 0.978 262 D N -0.072 120.348 120.400 0.033 0.000 2.443 262 D HA 0.308 5.464 4.640 0.860 0.000 0.239 262 D C 1.103 177.414 176.300 0.018 0.000 1.136 262 D CA 1.222 55.238 54.000 0.027 0.000 0.879 262 D CB -0.168 40.669 40.800 0.062 0.000 1.195 262 D HN 0.650 nan 8.370 nan 0.000 0.443 263 G N 2.108 110.805 108.800 -0.173 0.000 2.160 263 G HA2 -0.254 4.222 3.960 0.860 0.000 0.251 263 G HA3 -0.254 4.222 3.960 0.860 0.000 0.251 263 G C -0.131 174.248 174.900 -0.867 0.000 1.008 263 G CA -0.027 44.773 45.100 -0.500 0.000 0.724 263 G HN 0.368 nan 8.290 nan 0.000 0.514 264 F N -0.517 118.981 119.950 -0.755 0.000 2.469 264 F HA 0.821 5.864 4.527 0.861 0.000 0.332 264 F C 0.334 175.737 175.800 -0.662 0.000 1.103 264 F CA -1.141 56.546 58.000 -0.522 0.000 0.979 264 F CB 1.356 40.190 39.000 -0.277 0.000 1.137 264 F HN -0.017 nan 8.300 nan 0.000 0.463 265 F N 0.356 120.306 119.950 -0.000 0.000 2.654 265 F HA 0.599 5.642 4.527 0.861 0.000 0.334 265 F C -0.082 175.860 175.800 0.237 0.000 1.078 265 F CA -1.192 56.858 58.000 0.084 0.000 0.986 265 F CB 0.720 39.737 39.000 0.030 0.000 1.362 265 F HN 0.264 nan 8.300 nan 0.000 0.498 266 C N 0.871 120.442 119.300 0.452 0.000 2.520 266 C HA 0.295 5.271 4.460 0.860 0.000 0.376 266 C C 0.283 175.496 174.990 0.370 0.000 1.268 266 C CA -0.754 58.488 59.018 0.373 0.000 2.414 266 C CB 0.048 27.964 27.740 0.293 0.000 2.521 266 C HN 0.653 nan 8.230 nan 0.000 0.618 267 E N 0.883 121.227 120.200 0.239 0.000 2.366 267 E HA 0.191 5.057 4.350 0.860 0.000 0.266 267 E C 0.110 176.714 176.600 0.007 0.000 1.051 267 E CA -0.284 56.141 56.400 0.042 0.000 0.884 267 E CB 0.610 30.308 29.700 -0.004 0.000 1.006 267 E HN 0.487 nan 8.360 nan 0.000 0.417 268 R N 2.649 123.096 120.500 -0.087 0.000 2.491 268 R HA 0.103 4.959 4.340 0.860 0.000 0.283 268 R C -0.430 175.846 176.300 -0.041 0.000 1.072 268 R CA 0.052 56.120 56.100 -0.054 0.000 1.048 268 R CB 0.565 30.817 30.300 -0.080 0.000 0.983 268 R HN 0.437 nan 8.270 nan 0.000 0.450 269 R N 3.808 124.299 120.500 -0.015 0.000 2.599 269 R HA 0.395 5.251 4.340 0.860 0.000 0.295 269 R C -0.464 175.865 176.300 0.048 0.000 0.963 269 R CA -0.910 55.200 56.100 0.016 0.000 0.883 269 R CB 2.120 32.435 30.300 0.025 0.000 1.171 269 R HN 0.629 nan 8.270 nan 0.000 0.450 270 R N 0.387 120.930 120.500 0.072 0.000 2.778 270 R HA 0.309 5.165 4.340 0.860 0.000 0.277 270 R C -0.201 176.161 176.300 0.103 0.000 0.977 270 R CA -0.594 55.550 56.100 0.072 0.000 0.950 270 R CB 2.229 32.538 30.300 0.015 0.000 1.165 270 R HN 0.679 nan 8.270 nan 0.000 0.474 271 T N -0.788 113.794 114.554 0.046 0.000 2.910 271 T HA 0.643 5.509 4.350 0.860 0.000 0.293 271 T C -0.058 174.558 174.700 -0.139 0.000 1.015 271 T CA -0.674 61.339 62.100 -0.145 0.000 1.094 271 T CB 1.582 70.361 68.868 -0.148 0.000 0.968 271 T HN 0.596 nan 8.240 nan 0.000 0.521 272 A N 3.623 126.325 122.820 -0.197 0.000 2.469 272 A HA 0.813 5.649 4.320 0.860 0.000 0.299 272 A C -0.482 177.038 177.584 -0.107 0.000 1.098 272 A CA -1.173 50.805 52.037 -0.098 0.000 0.737 272 A CB 1.598 20.582 19.000 -0.027 0.000 1.312 272 A HN 0.870 nan 8.150 nan 0.000 0.414 273 M N 1.722 121.292 119.600 -0.050 0.000 2.259 273 M HA 0.418 5.414 4.480 0.860 0.000 0.304 273 M C 0.067 176.470 176.300 0.173 0.000 1.019 273 M CA -0.324 54.989 55.300 0.022 0.000 0.922 273 M CB 1.821 34.330 32.600 -0.151 0.000 1.600 273 M HN 0.884 nan 8.290 nan 0.000 0.433 274 G N 1.642 110.616 108.800 0.289 0.000 2.319 274 G HA2 0.590 5.066 3.960 0.860 0.000 0.308 274 G HA3 0.590 5.066 3.960 0.860 0.000 0.308 274 G C 0.099 175.181 174.900 0.304 0.000 1.117 274 G CA -0.412 44.848 45.100 0.267 0.000 0.903 274 G HN 0.855 nan 8.290 nan 0.000 0.436 275 G N 2.484 111.445 108.800 0.268 0.000 2.476 275 G HA2 0.575 5.051 3.960 0.860 0.000 0.269 275 G HA3 0.575 5.051 3.960 0.860 0.000 0.269 275 G C -2.299 172.564 174.900 -0.060 0.000 1.195 275 G CA -1.147 43.992 45.100 0.065 0.000 0.843 275 G HN 0.485 nan 8.290 nan 0.000 0.545 276 P HA 0.025 nan 4.420 nan 0.000 0.270 276 P C 0.402 177.696 177.300 -0.011 0.000 1.242 276 P CA -0.387 62.640 63.100 -0.122 0.000 0.768 276 P CB 0.880 32.496 31.700 -0.140 0.000 0.820 277 F N 5.067 124.949 119.950 -0.113 0.000 2.154 277 F HA -0.240 4.803 4.527 0.860 0.000 0.301 277 F C 2.236 178.018 175.800 -0.029 0.000 1.087 277 F CA 2.012 59.977 58.000 -0.057 0.000 1.274 277 F CB -0.797 38.173 39.000 -0.051 0.000 1.009 277 F HN 0.387 nan 8.300 nan 0.000 0.485 278 A N -0.262 122.490 122.820 -0.112 0.000 1.972 278 A HA -0.153 4.683 4.320 0.860 0.000 0.219 278 A C 2.094 179.571 177.584 -0.178 0.000 1.169 278 A CA 1.682 53.608 52.037 -0.185 0.000 0.635 278 A CB -1.054 17.918 19.000 -0.047 0.000 0.810 278 A HN 0.470 nan 8.150 nan 0.000 0.446 279 L N -0.169 120.985 121.223 -0.116 0.000 2.131 279 L HA 0.002 4.858 4.340 0.860 0.000 0.206 279 L C 1.631 178.448 176.870 -0.089 0.000 1.087 279 L CA 2.063 56.856 54.840 -0.078 0.000 0.767 279 L CB -0.693 41.325 42.059 -0.068 0.000 0.917 279 L HN 0.267 nan 8.230 nan 0.000 0.441 280 N N 0.261 118.894 118.700 -0.112 0.000 2.244 280 N HA -0.056 5.200 4.740 0.860 0.000 0.183 280 N C 1.866 177.312 175.510 -0.106 0.000 1.016 280 N CA 1.306 54.326 53.050 -0.050 0.000 0.866 280 N CB -0.431 38.087 38.487 0.053 0.000 0.980 280 N HN 0.505 nan 8.380 nan 0.000 0.430 281 A N 1.754 124.342 122.820 -0.387 0.000 1.873 281 A HA -0.116 4.720 4.320 0.860 0.000 0.218 281 A C -0.306 177.171 177.584 -0.177 0.000 1.193 281 A CA 1.622 53.410 52.037 -0.415 0.000 0.629 281 A CB -1.623 16.956 19.000 -0.701 0.000 0.826 281 A HN 0.255 nan 8.150 nan 0.000 0.447 282 P HA -0.103 nan 4.420 nan 0.000 0.220 282 P C 1.420 179.078 177.300 0.597 0.000 1.148 282 P CA 0.990 64.142 63.100 0.087 0.000 0.803 282 P CB -0.152 31.727 31.700 0.297 0.000 0.782 283 I N -1.157 119.657 120.570 0.407 0.000 2.277 283 I HA -0.136 4.550 4.170 0.860 0.000 0.243 283 I C 2.609 179.004 176.117 0.464 0.000 1.094 283 I CA 1.234 62.872 61.300 0.564 0.000 1.393 283 I CB -0.594 37.599 38.000 0.321 0.000 1.078 283 I HN -0.177 nan 8.210 nan 0.000 0.417 284 M N 0.582 120.338 119.600 0.260 0.000 2.213 284 M HA -0.157 4.839 4.480 0.860 0.000 0.263 284 M C 2.406 178.825 176.300 0.198 0.000 1.062 284 M CA 1.781 57.205 55.300 0.206 0.000 1.105 284 M CB -0.492 32.200 32.600 0.154 0.000 1.385 284 M HN 0.274 nan 8.290 nan 0.000 0.417 285 A N -0.410 122.531 122.820 0.202 0.000 2.070 285 A HA -0.051 4.785 4.320 0.860 0.000 0.220 285 A C 2.185 179.915 177.584 0.244 0.000 1.159 285 A CA 1.413 53.570 52.037 0.200 0.000 0.656 285 A CB -0.595 18.493 19.000 0.146 0.000 0.800 285 A HN 0.330 nan 8.150 nan 0.000 0.453 286 V N -1.090 119.001 119.914 0.296 0.000 2.575 286 V HA 0.001 4.637 4.120 0.860 0.000 0.242 286 V C 2.914 179.068 176.094 0.099 0.000 1.045 286 V CA 1.175 63.562 62.300 0.144 0.000 1.065 286 V CB -0.795 31.070 31.823 0.070 0.000 0.717 286 V HN 0.538 nan 8.190 nan 0.000 0.467 287 A N -0.037 122.899 122.820 0.194 0.000 1.908 287 A HA -0.324 4.512 4.320 0.860 0.000 0.218 287 A C 2.148 179.731 177.584 -0.003 0.000 1.181 287 A CA 2.441 54.540 52.037 0.103 0.000 0.627 287 A CB -0.551 18.563 19.000 0.189 0.000 0.818 287 A HN 0.508 nan 8.150 nan 0.000 0.445 288 Q N 0.112 119.934 119.800 0.037 0.000 2.050 288 Q HA -0.073 4.783 4.340 0.860 0.000 0.202 288 Q C -0.682 175.286 176.000 -0.053 0.000 0.980 288 Q CA 2.313 58.120 55.803 0.005 0.000 0.840 288 Q CB -1.306 27.459 28.738 0.046 0.000 0.898 288 Q HN 0.456 nan 8.270 nan 0.000 0.424 289 P HA -0.125 nan 4.420 nan 0.000 0.216 289 P C 1.252 178.458 177.300 -0.157 0.000 1.150 289 P CA 1.114 64.165 63.100 -0.082 0.000 0.837 289 P CB -0.010 31.655 31.700 -0.059 0.000 0.786 290 V N 0.067 119.844 119.914 -0.228 0.000 2.295 290 V HA -0.261 4.375 4.120 0.860 0.000 0.246 290 V C 2.454 178.327 176.094 -0.369 0.000 1.049 290 V CA 1.848 63.928 62.300 -0.368 0.000 1.024 290 V CB -0.948 30.512 31.823 -0.605 0.000 0.648 290 V HN 0.097 nan 8.190 nan 0.000 0.447 291 R N 0.215 120.498 120.500 -0.363 0.000 2.081 291 R HA -0.154 4.702 4.340 0.860 0.000 0.235 291 R C 2.203 178.224 176.300 -0.466 0.000 1.131 291 R CA 1.646 57.401 56.100 -0.575 0.000 0.960 291 R CB -0.577 29.497 30.300 -0.377 0.000 0.856 291 R HN 0.518 nan 8.270 nan 0.000 0.436 292 N N 1.064 119.635 118.700 -0.215 0.000 2.149 292 N HA -0.190 5.066 4.740 0.860 0.000 0.188 292 N C 1.599 177.031 175.510 -0.130 0.000 1.019 292 N CA 1.212 54.191 53.050 -0.118 0.000 0.857 292 N CB -0.153 38.285 38.487 -0.081 0.000 0.997 292 N HN 0.288 nan 8.380 nan 0.000 0.426 293 K N 1.254 121.558 120.400 -0.159 0.000 2.001 293 K HA -0.049 4.787 4.320 0.860 0.000 0.208 293 K C 2.144 178.683 176.600 -0.101 0.000 1.048 293 K CA 1.058 57.274 56.287 -0.120 0.000 0.932 293 K CB -0.124 32.321 32.500 -0.093 0.000 0.715 293 K HN 0.273 nan 8.250 nan 0.000 0.437 294 I N -1.761 118.720 120.570 -0.149 0.000 2.493 294 I HA -0.173 4.513 4.170 0.860 0.000 0.254 294 I C 1.242 177.415 176.117 0.093 0.000 1.160 294 I CA 1.053 62.347 61.300 -0.009 0.000 1.445 294 I CB -0.428 37.373 38.000 -0.332 0.000 1.086 294 I HN 0.040 nan 8.210 nan 0.000 0.433 295 Y N 2.144 122.409 120.300 -0.057 0.000 2.561 295 Y HA -0.004 5.061 4.550 0.858 0.000 0.291 295 Y C 2.808 178.625 175.900 -0.138 0.000 1.141 295 Y CA 0.227 58.250 58.100 -0.129 0.000 1.303 295 Y CB -0.745 37.503 38.460 -0.354 0.000 1.015 295 Y HN 0.470 nan 8.280 nan 0.000 0.547 296 S N -0.594 115.121 115.700 0.024 0.000 2.583 296 S HA -0.010 4.976 4.470 0.860 0.000 0.203 296 S C 1.970 176.537 174.600 -0.054 0.000 0.952 296 S CA 0.301 58.489 58.200 -0.020 0.000 0.887 296 S CB -0.424 62.743 63.200 -0.055 0.000 0.857 296 S HN 0.195 nan 8.310 nan 0.000 0.611 297 K N 0.302 120.599 120.400 -0.172 0.000 2.103 297 K HA -0.079 4.757 4.320 0.860 0.000 0.207 297 K C 0.339 176.670 176.600 -0.448 0.000 1.048 297 K CA 1.331 57.393 56.287 -0.374 0.000 0.930 297 K CB -0.220 31.900 32.500 -0.633 0.000 0.716 297 K HN 0.524 nan 8.250 nan 0.000 0.444 298 Y N -0.274 120.104 120.300 0.131 0.000 2.756 298 Y HA 0.367 5.434 4.550 0.861 0.000 0.300 298 Y C 1.178 177.154 175.900 0.127 0.000 1.113 298 Y CA -0.426 57.758 58.100 0.141 0.000 1.291 298 Y CB 0.002 38.589 38.460 0.212 0.000 1.175 298 Y HN 0.090 nan 8.280 nan 0.000 0.534 299 A N -0.375 122.563 122.820 0.197 0.000 1.948 299 A HA -0.307 4.529 4.320 0.860 0.000 0.220 299 A C 1.952 179.608 177.584 0.120 0.000 1.177 299 A CA 1.851 54.004 52.037 0.193 0.000 0.636 299 A CB -0.947 18.153 19.000 0.167 0.000 0.815 299 A HN 0.627 nan 8.150 nan 0.000 0.449 300 Y N 1.139 121.450 120.300 0.019 0.000 2.114 300 Y HA -0.241 4.825 4.550 0.859 0.000 0.282 300 Y C 2.615 178.496 175.900 -0.031 0.000 1.165 300 Y CA 2.523 60.618 58.100 -0.009 0.000 1.148 300 Y CB -0.590 37.848 38.460 -0.037 0.000 0.972 300 Y HN 0.314 nan 8.280 nan 0.000 0.504 301 T N -0.511 114.070 114.554 0.044 0.000 2.937 301 T HA -0.010 4.856 4.350 0.860 0.000 0.260 301 T C 1.263 175.840 174.700 -0.206 0.000 1.051 301 T CA 1.381 63.320 62.100 -0.268 0.000 1.141 301 T CB -0.314 67.991 68.868 -0.938 0.000 0.879 301 T HN 0.331 nan 8.240 nan 0.000 0.459 302 F N -0.565 119.469 119.950 0.139 0.000 2.720 302 F HA 0.292 5.339 4.527 0.867 0.000 0.301 302 F C 1.083 176.755 175.800 -0.212 0.000 1.103 302 F CA -0.488 57.594 58.000 0.137 0.000 1.291 302 F CB 0.428 39.512 39.000 0.140 0.000 1.086 302 F HN 0.174 nan 8.300 nan 0.000 0.592 303 H N 1.786 120.591 119.070 -0.440 0.000 2.623 303 H HA 0.249 5.321 4.556 0.859 0.000 0.299 303 H C -0.831 174.027 175.328 -0.784 0.000 1.052 303 H CA -0.584 55.113 56.048 -0.585 0.000 1.231 303 H CB 0.160 29.782 29.762 -0.233 0.000 1.389 303 H HN 0.048 nan 8.280 nan 0.000 0.469 304 H N 3.944 122.948 119.070 -0.110 0.000 2.547 304 H HA 0.134 5.206 4.556 0.859 0.000 0.342 304 H C 0.493 175.718 175.328 -0.172 0.000 1.048 304 H CA -0.440 55.505 56.048 -0.172 0.000 1.204 304 H CB 2.086 31.803 29.762 -0.074 0.000 1.493 304 H HN 0.745 nan 8.280 nan 0.000 0.511 305 T N -0.471 114.015 114.554 -0.114 0.000 3.330 305 T HA 0.093 4.959 4.350 0.860 0.000 0.185 305 T C 0.933 175.694 174.700 0.103 0.000 0.874 305 T CA 0.417 62.530 62.100 0.023 0.000 1.268 305 T CB -0.346 68.413 68.868 -0.182 0.000 1.866 305 T HN 0.530 nan 8.240 nan 0.000 0.395 306 T N 0.406 114.942 114.554 -0.031 0.000 2.847 306 T HA 0.395 5.261 4.350 0.860 0.000 0.279 306 T C 1.357 176.004 174.700 -0.088 0.000 0.984 306 T CA -0.598 61.481 62.100 -0.035 0.000 0.988 306 T CB 1.270 70.095 68.868 -0.072 0.000 1.040 306 T HN 0.660 nan 8.240 nan 0.000 0.528 307 R N 0.124 120.574 120.500 -0.083 0.000 2.120 307 R HA -0.003 4.854 4.340 0.860 0.000 0.234 307 R C 1.764 178.046 176.300 -0.031 0.000 1.123 307 R CA 0.827 56.870 56.100 -0.096 0.000 0.975 307 R CB -0.849 29.443 30.300 -0.013 0.000 0.866 307 R HN 0.429 nan 8.270 nan 0.000 0.446 308 L N 1.784 122.986 121.223 -0.035 0.000 2.240 308 L HA -0.038 4.818 4.340 0.860 0.000 0.211 308 L C 2.185 179.022 176.870 -0.054 0.000 1.106 308 L CA 1.549 56.374 54.840 -0.025 0.000 0.793 308 L CB -0.819 41.216 42.059 -0.040 0.000 0.927 308 L HN 0.302 nan 8.230 nan 0.000 0.446 309 N N 0.069 118.715 118.700 -0.089 0.000 2.084 309 N HA -0.221 5.035 4.740 0.860 0.000 0.190 309 N C 1.758 177.192 175.510 -0.128 0.000 1.030 309 N CA 1.633 54.614 53.050 -0.115 0.000 0.849 309 N CB 0.056 38.457 38.487 -0.143 0.000 1.012 309 N HN 0.232 nan 8.380 nan 0.000 0.423 310 K N 0.122 120.428 120.400 -0.156 0.000 2.025 310 K HA -0.149 4.687 4.320 0.860 0.000 0.207 310 K C 2.058 178.639 176.600 -0.031 0.000 1.049 310 K CA 1.376 57.532 56.287 -0.218 0.000 0.933 310 K CB -0.260 31.837 32.500 -0.672 0.000 0.714 310 K HN 0.332 nan 8.250 nan 0.000 0.438 311 E N 1.448 121.750 120.200 0.170 0.000 2.070 311 E HA -0.269 4.597 4.350 0.860 0.000 0.197 311 E C 1.807 178.367 176.600 -0.067 0.000 1.004 311 E CA 1.625 58.126 56.400 0.168 0.000 0.805 311 E CB 0.092 29.872 29.700 0.135 0.000 0.744 311 E HN 0.272 nan 8.360 nan 0.000 0.451 312 E N 0.089 120.242 120.200 -0.079 0.000 2.097 312 E HA -0.231 4.635 4.350 0.860 0.000 0.196 312 E C 2.091 178.602 176.600 -0.148 0.000 1.000 312 E CA 1.556 57.898 56.400 -0.096 0.000 0.804 312 E CB 0.033 29.691 29.700 -0.071 0.000 0.740 312 E HN 0.220 nan 8.360 nan 0.000 0.454 313 K N 0.143 120.400 120.400 -0.239 0.000 2.007 313 K HA -0.071 4.765 4.320 0.860 0.000 0.206 313 K C 2.187 178.379 176.600 -0.679 0.000 1.047 313 K CA 1.118 57.198 56.287 -0.344 0.000 0.937 313 K CB -0.121 32.050 32.500 -0.548 0.000 0.718 313 K HN -0.041 nan 8.250 nan 0.000 0.438 314 V N 3.079 122.487 119.914 -0.845 0.000 2.490 314 V HA -0.248 4.388 4.120 0.860 0.000 0.250 314 V C 2.153 177.850 176.094 -0.662 0.000 1.061 314 V CA 1.894 63.458 62.300 -1.226 0.000 1.064 314 V CB -0.622 30.747 31.823 -0.756 0.000 0.670 314 V HN 0.418 nan 8.190 nan 0.000 0.461 315 K N 0.428 120.613 120.400 -0.359 0.000 2.515 315 K HA -0.109 4.727 4.320 0.860 0.000 0.196 315 K C 1.387 177.948 176.600 -0.066 0.000 1.038 315 K CA 1.393 57.575 56.287 -0.175 0.000 0.967 315 K CB -0.187 32.237 32.500 -0.126 0.000 0.780 315 K HN 0.506 nan 8.250 nan 0.000 0.483 316 E N 0.058 120.215 120.200 -0.071 0.000 2.478 316 E HA 0.007 4.873 4.350 0.860 0.000 0.194 316 E C -0.358 176.428 176.600 0.310 0.000 1.045 316 E CA -0.219 56.247 56.400 0.110 0.000 0.868 316 E CB 0.178 29.969 29.700 0.152 0.000 0.885 316 E HN 0.264 nan 8.360 nan 0.000 0.505 317 W N 0.644 121.987 121.300 0.072 0.000 2.303 317 W HA 0.183 5.400 4.660 0.928 0.000 0.334 317 W C 1.308 177.890 176.519 0.106 0.000 1.197 317 W CA -1.162 56.239 57.345 0.094 0.000 1.262 317 W CB 0.727 30.242 29.460 0.092 0.000 1.153 317 W HN -0.184 nan 8.180 nan 0.000 0.596 318 S N 0.621 116.533 115.700 0.353 0.000 2.470 318 S HA 0.090 5.076 4.470 0.860 0.000 0.222 318 S C 0.029 174.780 174.600 0.252 0.000 1.024 318 S CA 0.182 58.536 58.200 0.257 0.000 0.931 318 S CB 0.086 63.417 63.200 0.218 0.000 0.791 318 S HN 0.270 nan 8.310 nan 0.000 0.513 319 L N 0.421 121.812 121.223 0.280 0.000 2.455 319 L HA 0.630 5.486 4.340 0.860 0.000 0.264 319 L C -1.698 175.385 176.870 0.355 0.000 0.968 319 L CA -0.571 54.380 54.840 0.185 0.000 0.827 319 L CB 1.869 43.834 42.059 -0.156 0.000 1.317 319 L HN 0.093 nan 8.230 nan 0.000 0.407 320 C N 5.140 124.619 119.300 0.299 0.000 2.346 320 C HA 0.843 5.819 4.460 0.860 0.000 0.326 320 C C -0.892 174.151 174.990 0.090 0.000 1.224 320 C CA -0.427 58.835 59.018 0.407 0.000 1.408 320 C CB 0.620 28.637 27.740 0.462 0.000 2.089 320 C HN 0.616 nan 8.230 nan 0.000 0.456 321 V N 6.277 126.238 119.914 0.078 0.000 2.357 321 V HA 0.614 5.250 4.120 0.860 0.000 0.284 321 V C 0.639 176.730 176.094 -0.004 0.000 1.018 321 V CA -0.248 61.955 62.300 -0.161 0.000 0.841 321 V CB 1.401 33.153 31.823 -0.119 0.000 0.991 321 V HN 1.051 nan 8.190 nan 0.000 0.437 322 A N 4.218 127.062 122.820 0.039 0.000 2.527 322 A HA 0.599 5.435 4.320 0.860 0.000 0.313 322 A C 0.751 178.428 177.584 0.155 0.000 1.410 322 A CA -0.267 51.843 52.037 0.121 0.000 1.060 322 A CB -0.217 18.902 19.000 0.198 0.000 1.137 322 A HN 0.897 nan 8.150 nan 0.000 0.542 323 T N -0.296 114.313 114.554 0.091 0.000 2.816 323 T HA 0.576 5.442 4.350 0.860 0.000 0.282 323 T C -0.567 174.239 174.700 0.178 0.000 0.993 323 T CA -0.482 61.708 62.100 0.149 0.000 0.994 323 T CB 1.276 70.216 68.868 0.120 0.000 1.025 323 T HN 0.427 nan 8.240 nan 0.000 0.529 324 D N -0.573 119.949 120.400 0.205 0.000 2.857 324 D HA 0.539 5.695 4.640 0.860 0.000 0.227 324 D C -1.339 175.090 176.300 0.215 0.000 1.192 324 D CA -0.454 53.654 54.000 0.180 0.000 0.857 324 D CB 2.199 43.062 40.800 0.105 0.000 1.645 324 D HN 0.517 nan 8.370 nan 0.000 0.482 325 V N 1.467 121.517 119.914 0.227 0.000 2.495 325 V HA 0.530 5.167 4.120 0.860 0.000 0.298 325 V C 0.215 176.429 176.094 0.199 0.000 1.031 325 V CA -0.924 61.515 62.300 0.231 0.000 0.871 325 V CB 1.692 33.700 31.823 0.307 0.000 0.988 325 V HN 0.561 nan 8.190 nan 0.000 0.432 326 S N 3.007 118.805 115.700 0.163 0.000 2.489 326 S HA 0.282 5.268 4.470 0.860 0.000 0.277 326 S C 0.351 175.153 174.600 0.336 0.000 1.230 326 S CA -0.187 58.132 58.200 0.199 0.000 1.053 326 S CB 0.058 63.357 63.200 0.166 0.000 0.955 326 S HN 0.976 nan 8.310 nan 0.000 0.488 327 D N 3.062 123.642 120.400 0.300 0.000 2.755 327 D HA -0.241 4.915 4.640 0.860 0.000 0.227 327 D C 0.928 177.456 176.300 0.381 0.000 1.211 327 D CA 1.022 55.200 54.000 0.297 0.000 0.663 327 D CB -1.170 39.774 40.800 0.240 0.000 0.983 327 D HN 0.889 nan 8.370 nan 0.000 0.407 328 H N 0.591 119.814 119.070 0.255 0.000 2.289 328 H HA -0.180 4.892 4.556 0.859 0.000 0.294 328 H C 1.142 176.627 175.328 0.261 0.000 1.095 328 H CA 2.262 58.467 56.048 0.262 0.000 1.256 328 H CB 0.323 30.207 29.762 0.204 0.000 1.359 328 H HN 0.340 nan 8.280 nan 0.000 0.487 329 D N -0.421 120.110 120.400 0.218 0.000 2.117 329 D HA -0.127 5.029 4.640 0.860 0.000 0.197 329 D C 2.374 178.696 176.300 0.037 0.000 0.987 329 D CA 2.431 56.490 54.000 0.099 0.000 0.829 329 D CB -0.620 40.233 40.800 0.089 0.000 0.961 329 D HN 0.646 nan 8.370 nan 0.000 0.460 330 T N -2.285 112.281 114.554 0.020 0.000 2.985 330 T HA -0.057 4.809 4.350 0.860 0.000 0.266 330 T C 1.897 176.561 174.700 -0.060 0.000 1.076 330 T CA 0.459 62.524 62.100 -0.058 0.000 1.135 330 T CB -0.646 68.133 68.868 -0.148 0.000 0.890 330 T HN 0.082 nan 8.240 nan 0.000 0.480 331 F N -0.295 119.662 119.950 0.012 0.000 2.780 331 F HA 0.341 5.386 4.527 0.863 0.000 0.299 331 F C 0.855 176.623 175.800 -0.053 0.000 1.146 331 F CA -1.404 56.593 58.000 -0.005 0.000 1.428 331 F CB -0.048 38.952 39.000 0.001 0.000 1.115 331 F HN 0.178 nan 8.300 nan 0.000 0.583 332 W N 5.397 126.630 121.300 -0.112 0.000 2.347 332 W HA 0.062 5.238 4.660 0.859 0.000 0.333 332 W C -2.263 174.118 176.519 -0.231 0.000 1.383 332 W CA -1.921 55.274 57.345 -0.250 0.000 1.283 332 W CB 0.193 29.479 29.460 -0.290 0.000 1.253 332 W HN -0.191 nan 8.180 nan 0.000 0.563 333 P HA 0.105 nan 4.420 nan 0.000 0.287 333 P C 0.580 177.289 177.300 -0.985 0.000 1.281 333 P CA 0.128 62.667 63.100 -0.935 0.000 0.781 333 P CB 1.366 32.218 31.700 -1.413 0.000 0.903 334 G N 3.976 112.561 108.800 -0.357 0.000 2.479 334 G HA2 -0.229 4.247 3.960 0.860 0.000 0.220 334 G HA3 -0.229 4.247 3.960 0.860 0.000 0.220 334 G C 1.236 176.031 174.900 -0.175 0.000 1.115 334 G CA -0.040 44.974 45.100 -0.144 0.000 0.757 334 G HN 0.706 nan 8.290 nan 0.000 0.560 335 W N 0.153 121.332 121.300 -0.202 0.000 2.425 335 W HA 0.056 5.230 4.660 0.856 0.000 0.277 335 W C 1.645 177.996 176.519 -0.280 0.000 1.231 335 W CA 0.432 57.662 57.345 -0.191 0.000 1.248 335 W CB -0.922 28.437 29.460 -0.169 0.000 1.117 335 W HN 0.177 nan 8.180 nan 0.000 0.568 336 L N 2.219 122.911 121.223 -0.885 0.000 2.109 336 L HA -0.060 4.796 4.340 0.860 0.000 0.207 336 L C 3.044 179.741 176.870 -0.288 0.000 1.086 336 L CA 2.030 56.384 54.840 -0.810 0.000 0.760 336 L CB -0.952 40.216 42.059 -1.485 0.000 0.910 336 L HN -0.047 nan 8.230 nan 0.000 0.437 337 R N -0.313 120.080 120.500 -0.178 0.000 2.094 337 R HA -0.209 4.647 4.340 0.860 0.000 0.239 337 R C 1.785 178.157 176.300 0.120 0.000 1.137 337 R CA 2.252 58.471 56.100 0.198 0.000 0.943 337 R CB -0.591 29.856 30.300 0.245 0.000 0.850 337 R HN 0.421 nan 8.270 nan 0.000 0.433 338 D N 0.822 121.265 120.400 0.071 0.000 2.178 338 D HA -0.177 4.979 4.640 0.860 0.000 0.201 338 D C 1.962 178.302 176.300 0.067 0.000 0.980 338 D CA 0.977 55.025 54.000 0.080 0.000 0.842 338 D CB -0.209 40.642 40.800 0.084 0.000 0.948 338 D HN 0.324 nan 8.370 nan 0.000 0.472 339 L N 0.513 121.775 121.223 0.065 0.000 2.027 339 L HA -0.109 4.747 4.340 0.860 0.000 0.206 339 L C 2.311 179.196 176.870 0.025 0.000 1.074 339 L CA 0.963 55.837 54.840 0.058 0.000 0.745 339 L CB -0.121 41.989 42.059 0.084 0.000 0.898 339 L HN -0.087 nan 8.230 nan 0.000 0.433 340 I N -0.827 119.754 120.570 0.019 0.000 2.226 340 I HA -0.369 4.317 4.170 0.860 0.000 0.245 340 I C 2.610 178.661 176.117 -0.109 0.000 1.100 340 I CA 1.282 62.560 61.300 -0.035 0.000 1.374 340 I CB -0.478 37.544 38.000 0.038 0.000 1.057 340 I HN 0.442 nan 8.210 nan 0.000 0.413 341 C N 0.469 119.760 119.300 -0.016 0.000 2.432 341 C HA -0.204 4.772 4.460 0.860 0.000 0.277 341 C C 2.602 177.567 174.990 -0.042 0.000 1.249 341 C CA 1.356 60.357 59.018 -0.028 0.000 1.725 341 C CB -1.002 26.779 27.740 0.067 0.000 2.028 341 C HN 0.572 nan 8.230 nan 0.000 0.477 342 D N 0.523 120.919 120.400 -0.007 0.000 2.104 342 D HA -0.191 4.965 4.640 0.860 0.000 0.194 342 D C 2.073 178.359 176.300 -0.023 0.000 0.994 342 D CA 1.690 55.689 54.000 -0.001 0.000 0.830 342 D CB -0.188 40.623 40.800 0.017 0.000 0.959 342 D HN 0.390 nan 8.370 nan 0.000 0.452 343 E N -0.278 119.897 120.200 -0.041 0.000 2.153 343 E HA -0.091 4.775 4.350 0.860 0.000 0.194 343 E C 2.140 178.682 176.600 -0.097 0.000 0.988 343 E CA 0.762 57.133 56.400 -0.049 0.000 0.811 343 E CB -0.303 29.374 29.700 -0.037 0.000 0.746 343 E HN 0.423 nan 8.360 nan 0.000 0.466 344 L N -0.278 120.822 121.223 -0.205 0.000 2.046 344 L HA -0.157 4.699 4.340 0.860 0.000 0.208 344 L C 2.445 179.275 176.870 -0.067 0.000 1.077 344 L CA 0.873 55.528 54.840 -0.309 0.000 0.747 344 L CB -0.420 41.286 42.059 -0.588 0.000 0.896 344 L HN 0.194 nan 8.230 nan 0.000 0.432 345 L N -0.283 120.917 121.223 -0.038 0.000 2.046 345 L HA -0.219 4.637 4.340 0.860 0.000 0.208 345 L C 2.358 179.243 176.870 0.024 0.000 1.077 345 L CA 1.042 55.892 54.840 0.016 0.000 0.747 345 L CB -0.666 41.401 42.059 0.013 0.000 0.896 345 L HN 0.368 nan 8.230 nan 0.000 0.432 346 N N 0.026 118.732 118.700 0.011 0.000 2.223 346 N HA -0.172 5.084 4.740 0.860 0.000 0.185 346 N C 1.750 177.279 175.510 0.033 0.000 1.016 346 N CA 1.426 54.487 53.050 0.019 0.000 0.863 346 N CB -0.238 38.257 38.487 0.013 0.000 0.983 346 N HN 0.391 nan 8.380 nan 0.000 0.429 347 M N -0.776 118.854 119.600 0.050 0.000 2.619 347 M HA 0.094 5.090 4.480 0.860 0.000 0.251 347 M C 0.874 177.228 176.300 0.089 0.000 1.106 347 M CA 0.607 55.959 55.300 0.087 0.000 1.086 347 M CB 0.250 32.936 32.600 0.144 0.000 1.465 347 M HN 0.251 nan 8.290 nan 0.000 0.506 348 G N -0.330 108.514 108.800 0.074 0.000 2.134 348 G HA2 -0.255 4.221 3.960 0.860 0.000 0.209 348 G HA3 -0.255 4.221 3.960 0.860 0.000 0.209 348 G C -0.235 174.655 174.900 -0.016 0.000 0.993 348 G CA -0.679 44.433 45.100 0.020 0.000 0.669 348 G HN 0.428 nan 8.290 nan 0.000 0.519 349 Y N 0.931 121.158 120.300 -0.122 0.000 2.457 349 Y HA 0.411 5.477 4.550 0.860 0.000 0.341 349 Y C 1.345 177.118 175.900 -0.212 0.000 1.240 349 Y CA 0.374 58.361 58.100 -0.189 0.000 1.437 349 Y CB 0.817 39.171 38.460 -0.177 0.000 1.328 349 Y HN 0.512 nan 8.280 nan 0.000 0.588 350 A N 5.663 128.311 122.820 -0.286 0.000 2.548 350 A HA 0.093 4.929 4.320 0.860 0.000 0.247 350 A C -1.811 175.550 177.584 -0.373 0.000 1.067 350 A CA -1.068 50.687 52.037 -0.470 0.000 0.757 350 A CB -0.136 18.207 19.000 -1.095 0.000 0.996 350 A HN 0.649 nan 8.150 nan 0.000 0.504 351 P HA -0.163 nan 4.420 nan 0.000 0.216 351 P C 1.567 178.873 177.300 0.010 0.000 1.150 351 P CA 1.733 64.815 63.100 -0.031 0.000 0.837 351 P CB -0.097 31.634 31.700 0.053 0.000 0.786 352 W N -1.807 119.566 121.300 0.122 0.000 2.363 352 W HA -0.115 5.062 4.660 0.861 0.000 0.296 352 W C 1.857 178.469 176.519 0.155 0.000 1.212 352 W CA 0.265 57.674 57.345 0.107 0.000 1.260 352 W CB -1.841 27.671 29.460 0.087 0.000 1.131 352 W HN 0.054 nan 8.180 nan 0.000 0.530 353 W N 2.308 123.284 121.300 -0.541 0.000 2.409 353 W HA -0.112 5.064 4.660 0.859 0.000 0.299 353 W C 2.393 178.894 176.519 -0.030 0.000 1.203 353 W CA 2.675 59.832 57.345 -0.312 0.000 1.298 353 W CB -0.610 28.394 29.460 -0.759 0.000 1.127 353 W HN -0.279 nan 8.180 nan 0.000 0.528 354 V N 1.267 121.221 119.914 0.066 0.000 2.490 354 V HA -0.293 4.343 4.120 0.860 0.000 0.250 354 V C 2.262 178.338 176.094 -0.029 0.000 1.061 354 V CA 2.206 64.507 62.300 0.002 0.000 1.064 354 V CB -1.033 30.824 31.823 0.057 0.000 0.670 354 V HN 0.051 nan 8.190 nan 0.000 0.461 355 K N 0.480 120.891 120.400 0.018 0.000 2.097 355 K HA -0.064 4.772 4.320 0.860 0.000 0.205 355 K C 1.892 178.515 176.600 0.039 0.000 1.050 355 K CA 1.438 57.763 56.287 0.064 0.000 0.938 355 K CB -0.517 32.043 32.500 0.100 0.000 0.718 355 K HN 0.407 nan 8.250 nan 0.000 0.442 356 L N -0.520 120.685 121.223 -0.030 0.000 2.046 356 L HA -0.143 4.713 4.340 0.860 0.000 0.208 356 L C 2.217 178.994 176.870 -0.156 0.000 1.077 356 L CA 1.347 56.146 54.840 -0.069 0.000 0.747 356 L CB -0.476 41.517 42.059 -0.110 0.000 0.896 356 L HN 0.150 nan 8.230 nan 0.000 0.432 357 F N 0.828 120.469 119.950 -0.515 0.000 2.102 357 F HA -0.250 4.792 4.527 0.859 0.000 0.298 357 F C 2.657 178.343 175.800 -0.191 0.000 1.105 357 F CA 1.976 59.693 58.000 -0.472 0.000 1.239 357 F CB -0.125 38.433 39.000 -0.737 0.000 0.991 357 F HN 0.105 nan 8.300 nan 0.000 0.474 358 E N -0.635 119.595 120.200 0.050 0.000 2.051 358 E HA -0.213 4.653 4.350 0.860 0.000 0.192 358 E C 1.988 178.578 176.600 -0.017 0.000 0.991 358 E CA 1.958 58.384 56.400 0.044 0.000 0.799 358 E CB -0.269 29.489 29.700 0.097 0.000 0.748 358 E HN 0.375 nan 8.360 nan 0.000 0.449 359 T N 0.486 115.051 114.554 0.018 0.000 2.788 359 T HA -0.179 4.687 4.350 0.860 0.000 0.268 359 T C 2.032 176.708 174.700 -0.041 0.000 1.044 359 T CA 1.529 63.646 62.100 0.028 0.000 1.139 359 T CB -0.399 68.560 68.868 0.153 0.000 0.867 359 T HN 0.336 nan 8.240 nan 0.000 0.454 360 S N 1.350 116.988 115.700 -0.105 0.000 2.440 360 S HA 0.002 4.988 4.470 0.860 0.000 0.238 360 S C 1.583 176.164 174.600 -0.033 0.000 1.010 360 S CA 0.781 58.921 58.200 -0.100 0.000 0.972 360 S CB -0.619 62.466 63.200 -0.193 0.000 0.774 360 S HN 0.501 nan 8.310 nan 0.000 0.501 361 L N 0.092 121.244 121.223 -0.118 0.000 2.741 361 L HA 0.381 5.237 4.340 0.860 0.000 0.237 361 L C 1.085 177.956 176.870 0.000 0.000 1.178 361 L CA 0.015 54.803 54.840 -0.088 0.000 0.973 361 L CB 0.087 42.057 42.059 -0.149 0.000 1.255 361 L HN 0.234 nan 8.230 nan 0.000 0.498 362 K N -0.433 119.975 120.400 0.014 0.000 2.562 362 K HA 0.257 5.093 4.320 0.860 0.000 0.201 362 K C -0.276 176.326 176.600 0.003 0.000 1.131 362 K CA -0.496 55.795 56.287 0.006 0.000 1.059 362 K CB 1.250 33.734 32.500 -0.026 0.000 0.913 362 K HN 0.016 nan 8.250 nan 0.000 0.563 363 L N 3.058 124.316 121.223 0.059 0.000 2.461 363 L HA 0.159 5.015 4.340 0.860 0.000 0.272 363 L C -2.347 174.580 176.870 0.096 0.000 1.197 363 L CA -1.427 53.436 54.840 0.038 0.000 0.836 363 L CB 0.214 42.267 42.059 -0.010 0.000 1.105 363 L HN -0.096 nan 8.230 nan 0.000 0.477 364 P HA 0.168 nan 4.420 nan 0.000 0.271 364 P C -1.560 175.836 177.300 0.160 0.000 1.244 364 P CA -0.194 62.959 63.100 0.089 0.000 0.793 364 P CB 0.611 32.346 31.700 0.059 0.000 0.984 365 V N -1.541 118.484 119.914 0.185 0.000 2.656 365 V HA 0.502 5.138 4.120 0.860 0.000 0.307 365 V C -1.370 174.859 176.094 0.225 0.000 1.051 365 V CA -1.010 61.417 62.300 0.212 0.000 0.893 365 V CB 1.591 33.504 31.823 0.149 0.000 0.999 365 V HN 0.407 nan 8.190 nan 0.000 0.426 366 Y N 3.996 124.381 120.300 0.141 0.000 2.353 366 Y HA 0.707 5.773 4.550 0.860 0.000 0.340 366 Y C -0.258 175.658 175.900 0.027 0.000 0.972 366 Y CA -0.640 57.558 58.100 0.164 0.000 1.157 366 Y CB 1.531 40.158 38.460 0.280 0.000 1.157 366 Y HN 0.668 nan 8.280 nan 0.000 0.495 367 V N 7.895 127.474 119.914 -0.559 0.000 2.432 367 V HA 0.286 4.922 4.120 0.860 0.000 0.271 367 V C 0.866 176.509 176.094 -0.752 0.000 1.046 367 V CA 0.553 62.513 62.300 -0.568 0.000 0.945 367 V CB 0.768 32.239 31.823 -0.586 0.000 0.992 367 V HN 1.079 nan 8.190 nan 0.000 0.471 368 G N 3.776 112.268 108.800 -0.514 0.000 2.629 368 G HA2 0.385 4.861 3.960 0.860 0.000 0.213 368 G HA3 0.385 4.861 3.960 0.860 0.000 0.213 368 G C 0.302 174.912 174.900 -0.484 0.000 1.425 368 G CA 0.552 45.420 45.100 -0.387 0.000 0.929 368 G HN 1.062 nan 8.290 nan 0.000 0.527 369 A N -0.029 122.691 122.820 -0.166 0.000 2.855 369 A HA 0.671 5.507 4.320 0.860 0.000 0.313 369 A C -1.935 175.645 177.584 -0.006 0.000 1.173 369 A CA -0.847 51.130 52.037 -0.099 0.000 0.753 369 A CB 1.599 20.639 19.000 0.067 0.000 1.200 369 A HN 0.173 nan 8.150 nan 0.000 0.442 370 P HA 0.147 nan 4.420 nan 0.000 0.221 370 P C 0.544 177.707 177.300 -0.229 0.000 1.150 370 P CA 1.743 64.479 63.100 -0.607 0.000 0.800 370 P CB 0.413 31.724 31.700 -0.649 0.000 0.787 371 A N -2.629 120.132 122.820 -0.099 0.000 2.564 371 A HA 0.601 5.437 4.320 0.860 0.000 0.291 371 A C -3.073 174.323 177.584 -0.313 0.000 1.102 371 A CA -1.564 50.270 52.037 -0.339 0.000 0.660 371 A CB 0.131 18.994 19.000 -0.228 0.000 1.283 371 A HN -0.297 nan 8.150 nan 0.000 0.430 372 P HA 0.369 nan 4.420 nan 0.000 0.265 372 P C -0.340 176.934 177.300 -0.044 0.000 1.193 372 P CA 1.198 64.170 63.100 -0.213 0.000 0.765 372 P CB 0.443 31.996 31.700 -0.246 0.000 0.823 373 E N -0.579 119.657 120.200 0.060 0.000 2.971 373 E HA -0.241 4.625 4.350 0.860 0.000 0.278 373 E C -0.492 176.173 176.600 0.107 0.000 1.009 373 E CA 1.310 57.759 56.400 0.081 0.000 0.862 373 E CB -1.707 28.016 29.700 0.039 0.000 1.436 373 E HN 0.559 nan 8.360 nan 0.000 0.434 374 Q N -1.587 118.288 119.800 0.125 0.000 2.456 374 Q HA 0.678 5.534 4.340 0.860 0.000 0.284 374 Q C 0.421 176.468 176.000 0.079 0.000 1.061 374 Q CA -0.537 55.367 55.803 0.169 0.000 0.799 374 Q CB 2.480 31.348 28.738 0.216 0.000 1.445 374 Q HN 0.247 nan 8.270 nan 0.000 0.411 375 G N 0.040 108.927 108.800 0.145 0.000 2.378 375 G HA2 -0.195 4.281 3.960 0.860 0.000 0.198 375 G HA3 -0.195 4.281 3.960 0.860 0.000 0.198 375 G C -1.011 173.812 174.900 -0.128 0.000 1.223 375 G CA -0.164 44.806 45.100 -0.217 0.000 1.088 375 G HN 0.936 nan 8.290 nan 0.000 0.530 376 H N -0.573 118.430 119.070 -0.112 0.000 2.677 376 H HA -0.052 5.020 4.556 0.860 0.000 0.321 376 H C 0.052 175.365 175.328 -0.026 0.000 1.171 376 H CA 1.244 57.266 56.048 -0.043 0.000 1.139 376 H CB -1.745 28.090 29.762 0.123 0.000 1.515 376 H HN 0.752 nan 8.280 nan 0.000 0.423 377 T N 0.944 115.379 114.554 -0.198 0.000 2.971 377 T HA 0.417 5.283 4.350 0.860 0.000 0.304 377 T C -0.351 174.366 174.700 0.029 0.000 1.038 377 T CA -0.893 61.258 62.100 0.085 0.000 1.007 377 T CB 1.912 70.954 68.868 0.290 0.000 1.055 377 T HN 0.261 nan 8.240 nan 0.000 0.451 378 L N 4.497 125.903 121.223 0.305 0.000 2.276 378 L HA 0.617 5.474 4.340 0.860 0.000 0.286 378 L C -1.206 175.896 176.870 0.387 0.000 1.061 378 L CA -0.251 54.832 54.840 0.405 0.000 0.807 378 L CB 0.155 42.529 42.059 0.525 0.000 1.177 378 L HN 0.586 nan 8.230 nan 0.000 0.429 379 L N 6.356 127.765 121.223 0.309 0.000 2.287 379 L HA 0.837 5.693 4.340 0.860 0.000 0.287 379 L C 0.578 177.583 176.870 0.226 0.000 1.022 379 L CA -0.350 54.647 54.840 0.261 0.000 0.814 379 L CB 0.953 43.151 42.059 0.231 0.000 1.217 379 L HN 0.958 nan 8.230 nan 0.000 0.420 380 G N 2.173 111.110 108.800 0.227 0.000 2.663 380 G HA2 -0.154 4.322 3.960 0.860 0.000 0.686 380 G HA3 -0.154 4.322 3.960 0.860 0.000 0.686 380 G C -1.427 173.655 174.900 0.303 0.000 1.246 380 G CA -0.870 44.347 45.100 0.195 0.000 0.795 380 G HN 0.648 nan 8.290 nan 0.000 0.627 381 D N 1.428 121.955 120.400 0.210 0.000 2.329 381 D HA 0.574 5.730 4.640 0.860 0.000 0.232 381 D C -1.056 175.212 176.300 -0.053 0.000 1.088 381 D CA -2.312 51.767 54.000 0.130 0.000 0.835 381 D CB 1.749 42.653 40.800 0.174 0.000 1.078 381 D HN 0.018 nan 8.370 nan 0.000 0.495 382 P HA -0.039 nan 4.420 nan 0.000 0.225 382 P C 1.054 178.251 177.300 -0.172 0.000 1.148 382 P CA 0.606 63.586 63.100 -0.201 0.000 0.779 382 P CB 0.394 31.912 31.700 -0.303 0.000 0.780 383 S N -0.408 115.223 115.700 -0.115 0.000 2.423 383 S HA -0.052 4.934 4.470 0.860 0.000 0.231 383 S C 0.823 175.400 174.600 -0.038 0.000 1.014 383 S CA 0.805 58.995 58.200 -0.017 0.000 0.965 383 S CB -0.719 62.484 63.200 0.005 0.000 0.785 383 S HN 0.408 nan 8.310 nan 0.000 0.495 384 N N 0.492 119.078 118.700 -0.189 0.000 2.685 384 N HA 0.239 5.495 4.740 0.860 0.000 0.252 384 N C -3.678 171.600 175.510 -0.386 0.000 1.261 384 N CA -1.261 51.583 53.050 -0.343 0.000 0.768 384 N CB 1.026 39.464 38.487 -0.083 0.000 1.304 384 N HN -0.068 nan 8.380 nan 0.000 0.536 385 P HA 0.014 nan 4.420 nan 0.000 0.260 385 P C -0.336 176.834 177.300 -0.216 0.000 1.185 385 P CA 0.540 63.422 63.100 -0.363 0.000 0.763 385 P CB 0.371 31.815 31.700 -0.427 0.000 0.776 386 D N 1.842 122.179 120.400 -0.104 0.000 2.783 386 D HA 0.090 5.246 4.640 0.860 0.000 0.306 386 D C -0.371 175.921 176.300 -0.014 0.000 1.633 386 D CA -0.157 53.813 54.000 -0.050 0.000 0.796 386 D CB -0.736 40.041 40.800 -0.038 0.000 1.230 386 D HN 0.011 nan 8.370 nan 0.000 0.441 387 L N 0.837 122.058 121.223 -0.004 0.000 2.439 387 L HA 0.403 5.259 4.340 0.860 0.000 0.261 387 L C 0.669 177.552 176.870 0.021 0.000 1.153 387 L CA 0.421 55.271 54.840 0.016 0.000 0.808 387 L CB 0.808 42.888 42.059 0.035 0.000 1.126 387 L HN 0.008 nan 8.230 nan 0.000 0.460 388 E N 1.776 121.990 120.200 0.022 0.000 3.568 388 E HA 0.133 4.999 4.350 0.860 0.000 0.213 388 E C 0.598 177.214 176.600 0.026 0.000 1.197 388 E CA 0.003 56.422 56.400 0.032 0.000 1.126 388 E CB 0.952 30.670 29.700 0.030 0.000 1.285 388 E HN 0.476 nan 8.360 nan 0.000 0.418 389 V N -1.265 118.661 119.914 0.020 0.000 3.461 389 V HA 0.312 4.948 4.120 0.860 0.000 0.267 389 V C 1.016 177.110 176.094 0.000 0.000 1.186 389 V CA 1.035 63.334 62.300 -0.001 0.000 1.154 389 V CB -0.539 31.267 31.823 -0.029 0.000 0.802 389 V HN 0.538 nan 8.190 nan 0.000 0.474 390 G N 0.250 109.083 108.800 0.055 0.000 2.601 390 G HA2 -0.172 4.304 3.960 0.860 0.000 0.224 390 G HA3 -0.172 4.304 3.960 0.860 0.000 0.224 390 G C -0.628 174.321 174.900 0.081 0.000 1.171 390 G CA -0.080 45.102 45.100 0.135 0.000 1.009 390 G HN 0.520 nan 8.290 nan 0.000 0.589 391 L N 1.658 122.831 121.223 -0.083 0.000 2.287 391 L HA 0.605 5.461 4.340 0.860 0.000 0.287 391 L C 0.210 176.886 176.870 -0.324 0.000 1.022 391 L CA -0.597 54.003 54.840 -0.400 0.000 0.814 391 L CB 1.610 43.311 42.059 -0.596 0.000 1.217 391 L HN 0.603 nan 8.230 nan 0.000 0.420 392 S N 1.249 116.695 115.700 -0.423 0.000 2.499 392 S HA 0.043 5.029 4.470 0.860 0.000 0.275 392 S C 1.214 175.576 174.600 -0.397 0.000 1.257 392 S CA -0.374 57.502 58.200 -0.539 0.000 1.050 392 S CB 1.521 64.042 63.200 -1.131 0.000 0.937 392 S HN 0.810 nan 8.310 nan 0.000 0.490 393 S N 2.765 118.301 115.700 -0.273 0.000 2.419 393 S HA -0.068 4.918 4.470 0.860 0.000 0.233 393 S C 1.593 176.136 174.600 -0.094 0.000 1.016 393 S CA 0.777 58.890 58.200 -0.144 0.000 0.974 393 S CB -0.415 62.738 63.200 -0.079 0.000 0.786 393 S HN 0.821 nan 8.310 nan 0.000 0.492 394 G N 0.566 109.299 108.800 -0.111 0.000 3.233 394 G HA2 0.139 4.615 3.960 0.860 0.000 0.227 394 G HA3 0.139 4.615 3.960 0.860 0.000 0.227 394 G C 0.281 175.289 174.900 0.180 0.000 1.175 394 G CA -0.432 44.718 45.100 0.083 0.000 0.781 394 G HN 0.444 nan 8.290 nan 0.000 0.542 395 Q N 0.585 120.399 119.800 0.024 0.000 2.340 395 Q HA 0.196 5.052 4.340 0.860 0.000 0.249 395 Q C 1.533 177.566 176.000 0.056 0.000 0.957 395 Q CA 0.144 55.992 55.803 0.076 0.000 0.882 395 Q CB 1.373 30.046 28.738 -0.108 0.000 1.235 395 Q HN 0.114 nan 8.270 nan 0.000 0.439 396 G N 2.411 111.262 108.800 0.084 0.000 2.564 396 G HA2 -0.079 4.397 3.960 0.860 0.000 0.216 396 G HA3 -0.079 4.397 3.960 0.860 0.000 0.216 396 G C 0.607 175.594 174.900 0.146 0.000 1.124 396 G CA 0.793 45.968 45.100 0.126 0.000 0.764 396 G HN 0.607 nan 8.290 nan 0.000 0.550 397 A N -0.963 121.927 122.820 0.116 0.000 2.568 397 A HA 0.477 5.313 4.320 0.860 0.000 0.287 397 A C 1.651 179.265 177.584 0.051 0.000 0.967 397 A CA 0.750 52.880 52.037 0.155 0.000 1.004 397 A CB -0.063 19.165 19.000 0.380 0.000 1.233 397 A HN 0.047 nan 8.150 nan 0.000 0.513 398 T N 1.512 116.051 114.554 -0.026 0.000 2.699 398 T HA -0.209 4.657 4.350 0.860 0.000 0.268 398 T C 1.797 176.461 174.700 -0.059 0.000 1.036 398 T CA 2.070 64.104 62.100 -0.111 0.000 1.147 398 T CB -0.316 68.483 68.868 -0.116 0.000 0.862 398 T HN 0.817 nan 8.240 nan 0.000 0.446 399 D N 1.775 122.174 120.400 -0.002 0.000 2.117 399 D HA -0.104 5.052 4.640 0.860 0.000 0.197 399 D C 2.128 178.438 176.300 0.016 0.000 0.987 399 D CA 0.974 54.984 54.000 0.016 0.000 0.829 399 D CB -0.848 39.979 40.800 0.046 0.000 0.961 399 D HN 0.366 nan 8.370 nan 0.000 0.460 400 L N -0.588 120.645 121.223 0.016 0.000 2.093 400 L HA -0.116 4.740 4.340 0.860 0.000 0.208 400 L C 2.801 179.746 176.870 0.125 0.000 1.085 400 L CA 0.786 55.636 54.840 0.015 0.000 0.755 400 L CB -0.424 41.652 42.059 0.029 0.000 0.904 400 L HN -0.026 nan 8.230 nan 0.000 0.435 401 M N -0.295 119.382 119.600 0.127 0.000 2.117 401 M HA -0.085 4.911 4.480 0.860 0.000 0.262 401 M C 2.395 178.912 176.300 0.361 0.000 1.065 401 M CA 1.846 57.269 55.300 0.206 0.000 1.114 401 M CB -1.771 30.697 32.600 -0.219 0.000 1.361 401 M HN 0.300 nan 8.290 nan 0.000 0.408 402 G N -0.616 108.306 108.800 0.203 0.000 2.408 402 G HA2 -0.153 4.323 3.960 0.860 0.000 0.217 402 G HA3 -0.153 4.323 3.960 0.860 0.000 0.217 402 G C 1.567 176.653 174.900 0.310 0.000 1.150 402 G CA 1.290 46.615 45.100 0.374 0.000 0.776 402 G HN 0.408 nan 8.290 nan 0.000 0.542 403 T N 0.809 115.477 114.554 0.191 0.000 2.821 403 T HA -0.016 4.850 4.350 0.860 0.000 0.267 403 T C 2.255 177.099 174.700 0.240 0.000 1.046 403 T CA 0.873 63.077 62.100 0.174 0.000 1.139 403 T CB -0.116 68.742 68.868 -0.017 0.000 0.871 403 T HN 0.173 nan 8.240 nan 0.000 0.454 404 L N 0.692 122.068 121.223 0.256 0.000 2.027 404 L HA -0.010 4.846 4.340 0.860 0.000 0.206 404 L C 2.308 179.426 176.870 0.413 0.000 1.074 404 L CA 1.146 56.199 54.840 0.355 0.000 0.745 404 L CB -0.338 41.939 42.059 0.364 0.000 0.898 404 L HN 0.202 nan 8.230 nan 0.000 0.433 405 L N -0.286 121.174 121.223 0.395 0.000 1.970 405 L HA -0.271 4.585 4.340 0.860 0.000 0.212 405 L C 2.432 179.464 176.870 0.269 0.000 1.071 405 L CA 2.116 57.135 54.840 0.299 0.000 0.751 405 L CB -0.542 41.648 42.059 0.217 0.000 0.889 405 L HN 0.235 nan 8.230 nan 0.000 0.432 406 M N -0.871 118.871 119.600 0.236 0.000 2.132 406 M HA -0.136 4.860 4.480 0.860 0.000 0.263 406 M C 2.638 178.914 176.300 -0.039 0.000 1.065 406 M CA 1.855 57.131 55.300 -0.039 0.000 1.122 406 M CB -1.853 30.782 32.600 0.058 0.000 1.365 406 M HN 0.530 nan 8.290 nan 0.000 0.411 407 S N 0.634 116.544 115.700 0.350 0.000 2.370 407 S HA -0.100 4.886 4.470 0.860 0.000 0.226 407 S C 1.836 176.687 174.600 0.419 0.000 1.033 407 S CA 0.989 59.529 58.200 0.567 0.000 1.011 407 S CB -0.009 63.673 63.200 0.803 0.000 0.852 407 S HN 0.275 nan 8.310 nan 0.000 0.457 408 I N 1.440 122.167 120.570 0.262 0.000 2.353 408 I HA -0.045 4.641 4.170 0.860 0.000 0.248 408 I C 2.453 178.513 176.117 -0.095 0.000 1.119 408 I CA 1.170 62.451 61.300 -0.033 0.000 1.417 408 I CB -2.061 35.706 38.000 -0.387 0.000 1.078 408 I HN 0.297 nan 8.210 nan 0.000 0.421 409 T N 0.763 115.312 114.554 -0.008 0.000 2.720 409 T HA -0.206 4.660 4.350 0.860 0.000 0.268 409 T C 1.874 176.612 174.700 0.065 0.000 1.037 409 T CA 1.650 63.776 62.100 0.042 0.000 1.144 409 T CB -0.334 68.530 68.868 -0.005 0.000 0.864 409 T HN 0.181 nan 8.240 nan 0.000 0.444 410 Y N 0.829 121.253 120.300 0.207 0.000 2.220 410 Y HA 0.090 5.154 4.550 0.856 0.000 0.291 410 Y C 2.163 178.127 175.900 0.107 0.000 1.129 410 Y CA -0.145 58.061 58.100 0.178 0.000 1.161 410 Y CB -1.042 37.529 38.460 0.186 0.000 0.997 410 Y HN 0.107 nan 8.280 nan 0.000 0.522 411 L N -0.402 120.933 121.223 0.187 0.000 2.012 411 L HA -0.152 4.704 4.340 0.860 0.000 0.210 411 L C 2.170 179.004 176.870 -0.060 0.000 1.073 411 L CA 1.508 56.301 54.840 -0.079 0.000 0.748 411 L CB -1.041 40.826 42.059 -0.320 0.000 0.891 411 L HN 0.046 nan 8.230 nan 0.000 0.431 412 V N -0.296 119.604 119.914 -0.023 0.000 2.332 412 V HA -0.369 4.267 4.120 0.860 0.000 0.248 412 V C 2.672 178.821 176.094 0.093 0.000 1.055 412 V CA 2.315 64.620 62.300 0.009 0.000 1.038 412 V CB -0.540 31.331 31.823 0.081 0.000 0.651 412 V HN 0.602 nan 8.190 nan 0.000 0.450 413 M N -0.747 118.969 119.600 0.193 0.000 2.080 413 M HA -0.290 4.706 4.480 0.860 0.000 0.260 413 M C 2.370 178.868 176.300 0.331 0.000 1.068 413 M CA 1.984 57.474 55.300 0.318 0.000 1.109 413 M CB -0.182 32.635 32.600 0.363 0.000 1.342 413 M HN 0.373 nan 8.290 nan 0.000 0.405 414 Q N -0.111 119.831 119.800 0.237 0.000 2.119 414 Q HA -0.153 4.703 4.340 0.860 0.000 0.201 414 Q C 2.019 178.116 176.000 0.163 0.000 0.972 414 Q CA 1.399 57.350 55.803 0.247 0.000 0.847 414 Q CB -0.149 28.613 28.738 0.040 0.000 0.903 414 Q HN 0.552 nan 8.270 nan 0.000 0.433 415 L N 0.589 121.831 121.223 0.033 0.000 2.005 415 L HA -0.211 4.645 4.340 0.860 0.000 0.207 415 L C 1.895 178.741 176.870 -0.040 0.000 1.072 415 L CA 1.051 55.858 54.840 -0.054 0.000 0.744 415 L CB -0.444 41.532 42.059 -0.137 0.000 0.895 415 L HN 0.170 nan 8.230 nan 0.000 0.433 416 D N -0.852 119.510 120.400 -0.064 0.000 2.104 416 D HA -0.189 4.967 4.640 0.860 0.000 0.194 416 D C 2.011 178.153 176.300 -0.264 0.000 0.994 416 D CA 1.439 55.314 54.000 -0.208 0.000 0.830 416 D CB -0.198 40.384 40.800 -0.364 0.000 0.959 416 D HN 0.428 nan 8.370 nan 0.000 0.452 417 H N -1.539 117.588 119.070 0.094 0.000 2.575 417 H HA 0.176 5.239 4.556 0.846 0.000 0.267 417 H C 1.392 176.792 175.328 0.119 0.000 0.966 417 H CA 1.305 57.414 56.048 0.102 0.000 1.165 417 H CB 0.873 30.706 29.762 0.118 0.000 1.433 417 H HN 0.274 nan 8.280 nan 0.000 0.544 418 T N -3.807 110.898 114.554 0.251 0.000 3.073 418 T HA 0.374 5.240 4.350 0.860 0.000 0.264 418 T C 0.929 175.789 174.700 0.267 0.000 0.893 418 T CA 0.262 62.523 62.100 0.269 0.000 0.863 418 T CB 0.175 69.307 68.868 0.440 0.000 1.247 418 T HN 0.140 nan 8.240 nan 0.000 0.546 419 A N 1.978 124.882 122.820 0.140 0.000 3.176 419 A HA 0.684 5.520 4.320 0.860 0.000 0.265 419 A C -1.953 175.494 177.584 -0.230 0.000 0.936 419 A CA -1.011 50.986 52.037 -0.067 0.000 1.033 419 A CB 0.448 19.331 19.000 -0.195 0.000 1.158 419 A HN 0.217 nan 8.150 nan 0.000 0.485 420 P HA -0.243 nan 4.420 nan 0.000 0.217 420 P C 1.303 178.575 177.300 -0.047 0.000 1.148 420 P CA 1.704 64.788 63.100 -0.027 0.000 0.828 420 P CB -0.242 31.485 31.700 0.045 0.000 0.783 421 H N -1.016 118.040 119.070 -0.024 0.000 2.543 421 H HA 0.001 5.021 4.556 0.774 0.000 0.286 421 H C 1.455 176.749 175.328 -0.056 0.000 1.037 421 H CA 0.752 56.784 56.048 -0.027 0.000 1.250 421 H CB -1.235 28.527 29.762 0.001 0.000 1.373 421 H HN 0.223 nan 8.280 nan 0.000 0.580 422 L N 0.318 121.285 121.223 -0.427 0.000 2.567 422 L HA 0.023 4.879 4.340 0.860 0.000 0.225 422 L C 1.735 178.363 176.870 -0.404 0.000 1.119 422 L CA -0.069 54.536 54.840 -0.393 0.000 0.871 422 L CB -0.166 41.609 42.059 -0.473 0.000 1.036 422 L HN 0.098 nan 8.230 nan 0.000 0.459 423 N N 0.483 119.006 118.700 -0.295 0.000 2.166 423 N HA -0.170 5.086 4.740 0.860 0.000 0.186 423 N C 2.095 177.475 175.510 -0.216 0.000 1.019 423 N CA 1.774 54.664 53.050 -0.267 0.000 0.856 423 N CB -0.215 38.165 38.487 -0.178 0.000 0.993 423 N HN 0.351 nan 8.380 nan 0.000 0.426 424 S N 0.587 116.198 115.700 -0.148 0.000 2.500 424 S HA -0.021 4.965 4.470 0.860 0.000 0.239 424 S C 1.643 176.174 174.600 -0.115 0.000 0.989 424 S CA 0.540 58.678 58.200 -0.103 0.000 0.951 424 S CB -0.105 63.061 63.200 -0.057 0.000 0.759 424 S HN 0.230 nan 8.310 nan 0.000 0.523 425 R N 0.147 120.541 120.500 -0.177 0.000 2.299 425 R HA 0.329 5.185 4.340 0.860 0.000 0.197 425 R C -0.110 176.077 176.300 -0.187 0.000 0.971 425 R CA 0.405 56.411 56.100 -0.157 0.000 1.030 425 R CB -0.053 30.152 30.300 -0.157 0.000 0.932 425 R HN 0.486 nan 8.270 nan 0.000 0.477 426 I N 1.137 121.559 120.570 -0.247 0.000 2.479 426 I HA 0.127 4.813 4.170 0.860 0.000 0.279 426 I C 0.672 176.711 176.117 -0.131 0.000 1.102 426 I CA -0.009 61.166 61.300 -0.207 0.000 1.196 426 I CB 1.171 38.986 38.000 -0.309 0.000 1.427 426 I HN -0.158 nan 8.210 nan 0.000 0.503 427 K N 2.200 122.550 120.400 -0.084 0.000 2.365 427 K HA 0.167 5.003 4.320 0.860 0.000 0.195 427 K C -0.278 176.297 176.600 -0.042 0.000 1.079 427 K CA 0.354 56.605 56.287 -0.060 0.000 0.979 427 K CB 0.456 32.929 32.500 -0.045 0.000 0.929 427 K HN 0.615 nan 8.250 nan 0.000 0.523 428 D N -2.179 118.201 120.400 -0.034 0.000 2.838 428 D HA 0.106 5.262 4.640 0.860 0.000 0.334 428 D C 0.686 176.977 176.300 -0.015 0.000 1.315 428 D CA -0.731 53.256 54.000 -0.021 0.000 0.917 428 D CB 0.145 40.938 40.800 -0.012 0.000 1.435 428 D HN -0.372 nan 8.370 nan 0.000 0.517 429 M N -0.577 119.020 119.600 -0.005 0.000 2.065 429 M HA 0.015 5.011 4.480 0.860 0.000 0.259 429 M C -1.007 175.297 176.300 0.006 0.000 1.069 429 M CA 1.794 57.094 55.300 0.002 0.000 1.110 429 M CB -2.250 30.356 32.600 0.010 0.000 1.328 429 M HN 0.361 nan 8.290 nan 0.000 0.405 430 P HA -0.120 nan 4.420 nan 0.000 0.215 430 P C 1.687 178.999 177.300 0.021 0.000 1.157 430 P CA 2.266 65.377 63.100 0.018 0.000 0.874 430 P CB -0.249 31.462 31.700 0.017 0.000 0.790 431 S N -0.859 114.850 115.700 0.014 0.000 2.406 431 S HA -0.050 4.937 4.470 0.860 0.000 0.228 431 S C 2.094 176.714 174.600 0.033 0.000 1.020 431 S CA 1.020 59.232 58.200 0.021 0.000 0.965 431 S CB -1.394 61.805 63.200 -0.001 0.000 0.798 431 S HN 0.101 nan 8.310 nan 0.000 0.488 432 A N 1.091 123.914 122.820 0.005 0.000 1.873 432 A HA -0.034 4.802 4.320 0.860 0.000 0.215 432 A C 2.510 180.097 177.584 0.005 0.000 1.186 432 A CA 1.417 53.453 52.037 -0.001 0.000 0.616 432 A CB -1.546 17.432 19.000 -0.036 0.000 0.823 432 A HN 0.681 nan 8.150 nan 0.000 0.442 433 C N -1.056 118.241 119.300 -0.006 0.000 2.413 433 C HA -0.111 4.865 4.460 0.860 0.000 0.276 433 C C 2.873 177.860 174.990 -0.006 0.000 1.236 433 C CA 1.223 60.230 59.018 -0.019 0.000 1.735 433 C CB -1.352 26.398 27.740 0.016 0.000 2.031 433 C HN 0.606 nan 8.230 nan 0.000 0.474 434 R N -0.522 119.999 120.500 0.036 0.000 2.083 434 R HA -0.163 4.693 4.340 0.860 0.000 0.237 434 R C 2.104 178.433 176.300 0.049 0.000 1.137 434 R CA 1.966 58.097 56.100 0.053 0.000 0.951 434 R CB -0.617 29.724 30.300 0.068 0.000 0.851 434 R HN 0.616 nan 8.270 nan 0.000 0.434 435 F N 1.159 121.069 119.950 -0.066 0.000 2.102 435 F HA -0.197 4.831 4.527 0.834 0.000 0.298 435 F C 2.012 177.737 175.800 -0.125 0.000 1.105 435 F CA 1.234 59.185 58.000 -0.083 0.000 1.239 435 F CB -0.392 38.535 39.000 -0.121 0.000 0.991 435 F HN -0.060 nan 8.300 nan 0.000 0.474 436 L N 0.987 122.061 121.223 -0.247 0.000 2.046 436 L HA -0.197 4.659 4.340 0.860 0.000 0.208 436 L C 2.009 178.569 176.870 -0.517 0.000 1.077 436 L CA 2.446 56.961 54.840 -0.542 0.000 0.747 436 L CB -1.248 40.435 42.059 -0.627 0.000 0.896 436 L HN 0.336 nan 8.230 nan 0.000 0.432 437 D N -1.835 118.410 120.400 -0.258 0.000 2.149 437 D HA -0.239 4.917 4.640 0.860 0.000 0.198 437 D C 2.264 178.588 176.300 0.040 0.000 0.990 437 D CA 1.398 55.401 54.000 0.006 0.000 0.839 437 D CB -0.017 40.866 40.800 0.139 0.000 0.948 437 D HN 0.401 nan 8.370 nan 0.000 0.460 438 S N -1.843 113.796 115.700 -0.102 0.000 2.377 438 S HA -0.155 4.831 4.470 0.860 0.000 0.223 438 S C 1.932 176.397 174.600 -0.224 0.000 1.030 438 S CA 0.674 58.808 58.200 -0.109 0.000 0.970 438 S CB -0.702 62.449 63.200 -0.080 0.000 0.830 438 S HN 0.531 nan 8.310 nan 0.000 0.473 439 Y N 0.518 120.499 120.300 -0.532 0.000 2.145 439 Y HA -0.112 4.939 4.550 0.835 0.000 0.286 439 Y C 1.880 177.647 175.900 -0.223 0.000 1.145 439 Y CA 2.035 59.828 58.100 -0.512 0.000 1.148 439 Y CB -0.471 37.518 38.460 -0.785 0.000 0.981 439 Y HN 0.339 nan 8.280 nan 0.000 0.507 440 W N 1.243 122.352 121.300 -0.317 0.000 2.392 440 W HA -0.131 5.042 4.660 0.854 0.000 0.279 440 W C 1.827 178.206 176.519 -0.234 0.000 1.225 440 W CA 1.264 58.401 57.345 -0.348 0.000 1.233 440 W CB -0.795 28.439 29.460 -0.377 0.000 1.122 440 W HN 0.335 nan 8.180 nan 0.000 0.561 441 Q N -0.690 119.073 119.800 -0.061 0.000 2.365 441 Q HA 0.200 5.056 4.340 0.860 0.000 0.203 441 Q C 1.625 177.215 176.000 -0.683 0.000 0.929 441 Q CA 0.601 56.225 55.803 -0.298 0.000 0.948 441 Q CB -0.123 28.266 28.738 -0.582 0.000 1.043 441 Q HN 0.273 nan 8.270 nan 0.000 0.505 442 G N 0.785 109.098 108.800 -0.811 0.000 2.155 442 G HA2 -0.319 4.157 3.960 0.860 0.000 0.257 442 G HA3 -0.319 4.157 3.960 0.860 0.000 0.257 442 G C 0.179 174.763 174.900 -0.526 0.000 0.983 442 G CA 0.482 44.838 45.100 -1.239 0.000 0.676 442 G HN 0.648 nan 8.290 nan 0.000 0.528 443 H N 0.028 118.891 119.070 -0.345 0.000 2.533 443 H HA 0.205 5.274 4.556 0.855 0.000 0.271 443 H C 0.901 176.145 175.328 -0.139 0.000 1.000 443 H CA 0.204 56.139 56.048 -0.188 0.000 1.149 443 H CB 0.444 30.140 29.762 -0.110 0.000 1.375 443 H HN 0.395 nan 8.280 nan 0.000 0.582 444 E N 0.607 120.767 120.200 -0.066 0.000 2.281 444 E HA 0.012 4.878 4.350 0.860 0.000 0.257 444 E C 0.889 177.472 176.600 -0.029 0.000 0.971 444 E CA -0.284 56.108 56.400 -0.013 0.000 0.839 444 E CB 1.180 30.884 29.700 0.007 0.000 1.238 444 E HN 0.518 nan 8.360 nan 0.000 0.412 445 E N 0.159 120.378 120.200 0.031 0.000 2.358 445 E HA -0.031 4.835 4.350 0.860 0.000 0.195 445 E C 0.773 177.328 176.600 -0.075 0.000 1.010 445 E CA 0.559 56.976 56.400 0.028 0.000 0.856 445 E CB -0.332 29.441 29.700 0.121 0.000 0.795 445 E HN 0.410 nan 8.360 nan 0.000 0.504 446 I N -0.856 119.652 120.570 -0.103 0.000 2.412 446 I HA 0.568 5.254 4.170 0.860 0.000 0.296 446 I C -0.266 175.676 176.117 -0.290 0.000 0.987 446 I CA -1.215 59.886 61.300 -0.332 0.000 1.180 446 I CB 1.620 39.475 38.000 -0.241 0.000 1.340 446 I HN -0.148 nan 8.210 nan 0.000 0.455 447 R N 3.945 124.072 120.500 -0.622 0.000 2.831 447 R HA 0.683 5.539 4.340 0.860 0.000 0.266 447 R C -1.499 174.441 176.300 -0.601 0.000 1.051 447 R CA -0.981 54.735 56.100 -0.641 0.000 0.943 447 R CB 2.286 32.293 30.300 -0.489 0.000 1.228 447 R HN 0.843 nan 8.270 nan 0.000 0.467 448 Q N 0.613 120.217 119.800 -0.326 0.000 2.527 448 Q HA 0.569 5.425 4.340 0.860 0.000 0.280 448 Q C -1.451 174.561 176.000 0.020 0.000 0.977 448 Q CA -1.014 54.702 55.803 -0.146 0.000 0.837 448 Q CB 1.895 30.606 28.738 -0.045 0.000 1.454 448 Q HN 0.636 nan 8.270 nan 0.000 0.387 449 I N -0.400 120.125 120.570 -0.075 0.000 2.499 449 I HA 0.865 5.551 4.170 0.860 0.000 0.288 449 I C -0.958 174.978 176.117 -0.301 0.000 1.048 449 I CA -0.610 60.556 61.300 -0.223 0.000 1.062 449 I CB 2.111 39.790 38.000 -0.535 0.000 1.238 449 I HN 0.855 nan 8.210 nan 0.000 0.426 450 S N 4.112 119.917 115.700 0.176 0.000 2.596 450 S HA 0.722 5.708 4.470 0.860 0.000 0.270 450 S C -1.087 173.920 174.600 0.679 0.000 1.155 450 S CA -0.923 57.553 58.200 0.461 0.000 0.827 450 S CB 2.439 65.915 63.200 0.460 0.000 1.130 450 S HN 0.879 nan 8.310 nan 0.000 0.467 451 K N 0.911 121.628 120.400 0.529 0.000 2.589 451 K HA 0.576 5.412 4.320 0.860 0.000 0.253 451 K C 0.084 176.827 176.600 0.239 0.000 0.974 451 K CA -0.090 56.419 56.287 0.370 0.000 0.835 451 K CB 1.353 33.994 32.500 0.234 0.000 1.272 451 K HN 0.873 nan 8.250 nan 0.000 0.444 452 S N 1.786 117.593 115.700 0.179 0.000 4.110 452 S HA -0.290 4.696 4.470 0.860 0.000 0.573 452 S C 0.413 175.041 174.600 0.048 0.000 1.936 452 S CA 1.943 60.157 58.200 0.022 0.000 4.227 452 S CB -0.942 62.213 63.200 -0.075 0.000 0.327 452 S HN 1.018 nan 8.310 nan 0.000 0.532 453 D N 1.862 122.222 120.400 -0.067 0.000 2.370 453 D HA 0.349 5.505 4.640 0.860 0.000 0.230 453 D C -0.287 176.150 176.300 0.229 0.000 1.143 453 D CA 0.070 54.127 54.000 0.096 0.000 0.834 453 D CB -0.297 40.518 40.800 0.024 0.000 0.944 453 D HN 0.325 nan 8.370 nan 0.000 0.504 454 D N 0.098 120.643 120.400 0.242 0.000 2.362 454 D HA 0.676 5.832 4.640 0.860 0.000 0.247 454 D C -1.161 175.392 176.300 0.422 0.000 1.050 454 D CA -0.702 53.462 54.000 0.273 0.000 0.839 454 D CB 1.899 42.781 40.800 0.136 0.000 1.283 454 D HN 0.160 nan 8.370 nan 0.000 0.477 455 A N 2.770 125.756 122.820 0.277 0.000 2.586 455 A HA 0.712 5.548 4.320 0.860 0.000 0.291 455 A C -1.525 175.921 177.584 -0.231 0.000 1.062 455 A CA -0.694 51.315 52.037 -0.047 0.000 0.666 455 A CB 1.316 20.064 19.000 -0.420 0.000 1.281 455 A HN 0.495 nan 8.150 nan 0.000 0.421 456 M N 1.552 120.917 119.600 -0.392 0.000 2.267 456 M HA 0.428 5.424 4.480 0.860 0.000 0.289 456 M C -1.515 174.724 176.300 -0.102 0.000 1.043 456 M CA -0.153 55.052 55.300 -0.159 0.000 0.928 456 M CB 1.851 34.400 32.600 -0.085 0.000 1.613 456 M HN 0.576 nan 8.290 nan 0.000 0.450 457 L N 2.369 123.501 121.223 -0.152 0.000 2.295 457 L HA 0.852 5.708 4.340 0.860 0.000 0.285 457 L C 0.448 176.920 176.870 -0.665 0.000 1.035 457 L CA -0.684 53.905 54.840 -0.419 0.000 0.806 457 L CB 1.430 43.299 42.059 -0.316 0.000 1.214 457 L HN 0.796 nan 8.230 nan 0.000 0.426 458 G N 1.976 109.889 108.800 -1.479 0.000 2.498 458 G HA2 0.624 5.100 3.960 0.860 0.000 0.312 458 G HA3 0.624 5.100 3.960 0.860 0.000 0.312 458 G C -1.888 172.260 174.900 -1.252 0.000 1.230 458 G CA -0.357 43.696 45.100 -1.746 0.000 0.968 458 G HN 0.491 nan 8.290 nan 0.000 0.481 459 W N 1.400 122.372 121.300 -0.547 0.000 2.900 459 W HA 0.363 5.080 4.660 0.095 0.000 0.336 459 W C 0.450 176.896 176.519 -0.122 0.000 1.064 459 W CA -0.625 56.569 57.345 -0.251 0.000 1.237 459 W CB 2.303 31.679 29.460 -0.140 0.000 1.391 459 W HN 0.846 nan 8.180 nan 0.000 0.468 460 T N -0.328 114.292 114.554 0.110 0.000 2.924 460 T HA 0.395 5.261 4.350 0.860 0.000 0.301 460 T C 0.458 175.265 174.700 0.177 0.000 1.120 460 T CA -0.617 61.577 62.100 0.156 0.000 0.940 460 T CB 1.008 69.948 68.868 0.121 0.000 1.591 460 T HN 0.018 nan 8.240 nan 0.000 0.578 461 K N 0.734 121.222 120.400 0.146 0.000 2.237 461 K HA 0.645 5.481 4.320 0.860 0.000 0.270 461 K C 0.619 177.292 176.600 0.120 0.000 1.015 461 K CA 0.351 56.714 56.287 0.127 0.000 0.949 461 K CB 0.571 33.130 32.500 0.097 0.000 0.976 461 K HN 1.136 nan 8.250 nan 0.000 0.472 462 G N 0.699 109.565 108.800 0.110 0.000 2.362 462 G HA2 -0.064 4.412 3.960 0.860 0.000 0.288 462 G HA3 -0.064 4.412 3.960 0.860 0.000 0.288 462 G C 0.243 175.192 174.900 0.083 0.000 1.305 462 G CA -0.817 44.341 45.100 0.097 0.000 0.910 462 G HN 0.453 nan 8.290 nan 0.000 0.518 463 R N -0.204 120.313 120.500 0.028 0.000 2.120 463 R HA 0.017 4.873 4.340 0.860 0.000 0.234 463 R C 2.868 179.219 176.300 0.084 0.000 1.123 463 R CA 1.852 57.910 56.100 -0.070 0.000 0.975 463 R CB -0.285 29.743 30.300 -0.454 0.000 0.866 463 R HN 0.609 nan 8.270 nan 0.000 0.446 464 A N 0.949 123.937 122.820 0.281 0.000 2.067 464 A HA -0.083 4.753 4.320 0.860 0.000 0.217 464 A C 1.970 179.712 177.584 0.263 0.000 1.156 464 A CA 0.479 52.755 52.037 0.398 0.000 0.683 464 A CB -0.235 19.085 19.000 0.532 0.000 0.808 464 A HN 0.195 nan 8.150 nan 0.000 0.455 465 L N -0.117 121.231 121.223 0.208 0.000 2.013 465 L HA -0.159 4.697 4.340 0.860 0.000 0.212 465 L C 2.393 179.263 176.870 0.001 0.000 1.073 465 L CA 2.297 57.184 54.840 0.078 0.000 0.753 465 L CB -0.724 41.424 42.059 0.149 0.000 0.890 465 L HN 0.204 nan 8.230 nan 0.000 0.432 466 V N -0.238 119.713 119.914 0.061 0.000 2.407 466 V HA -0.157 4.479 4.120 0.860 0.000 0.248 466 V C 2.395 178.495 176.094 0.010 0.000 1.055 466 V CA 1.911 64.248 62.300 0.062 0.000 1.049 466 V CB -0.788 31.055 31.823 0.034 0.000 0.662 466 V HN 0.627 nan 8.190 nan 0.000 0.455 467 G N -0.618 108.181 108.800 -0.002 0.000 2.422 467 G HA2 -0.140 4.336 3.960 0.860 0.000 0.218 467 G HA3 -0.140 4.336 3.960 0.860 0.000 0.218 467 G C 1.593 176.380 174.900 -0.188 0.000 1.146 467 G CA 0.781 45.879 45.100 -0.003 0.000 0.769 467 G HN 0.676 nan 8.290 nan 0.000 0.547 468 G N 0.133 108.596 108.800 -0.563 0.000 2.440 468 G HA2 -0.236 4.240 3.960 0.860 0.000 0.218 468 G HA3 -0.236 4.240 3.960 0.860 0.000 0.218 468 G C 1.538 175.922 174.900 -0.860 0.000 1.154 468 G CA 1.272 45.514 45.100 -1.430 0.000 0.767 468 G HN 0.567 nan 8.290 nan 0.000 0.552 469 H N -0.073 118.757 119.070 -0.400 0.000 2.423 469 H HA 0.102 5.175 4.556 0.862 0.000 0.297 469 H C 2.870 178.146 175.328 -0.087 0.000 1.075 469 H CA 1.100 57.044 56.048 -0.173 0.000 1.342 469 H CB 0.172 29.857 29.762 -0.130 0.000 1.395 469 H HN 0.144 nan 8.280 nan 0.000 0.530 470 R N 0.083 120.586 120.500 0.004 0.000 2.075 470 R HA -0.101 4.755 4.340 0.860 0.000 0.232 470 R C 2.172 178.477 176.300 0.009 0.000 1.126 470 R CA 0.841 56.953 56.100 0.020 0.000 0.963 470 R CB -0.774 29.544 30.300 0.030 0.000 0.858 470 R HN 0.263 nan 8.270 nan 0.000 0.435 471 L N 0.750 121.951 121.223 -0.036 0.000 2.012 471 L HA -0.161 4.695 4.340 0.860 0.000 0.210 471 L C 2.152 179.063 176.870 0.067 0.000 1.073 471 L CA 1.640 56.457 54.840 -0.039 0.000 0.748 471 L CB -0.929 41.109 42.059 -0.035 0.000 0.891 471 L HN 0.011 nan 8.230 nan 0.000 0.431 472 F N 0.865 120.725 119.950 -0.152 0.000 2.126 472 F HA -0.222 4.820 4.527 0.859 0.000 0.299 472 F C 2.534 178.340 175.800 0.011 0.000 1.096 472 F CA 1.976 59.932 58.000 -0.073 0.000 1.255 472 F CB -0.696 38.214 39.000 -0.149 0.000 0.997 472 F HN 0.327 nan 8.300 nan 0.000 0.479 473 E N 0.157 120.416 120.200 0.098 0.000 2.110 473 E HA -0.242 4.624 4.350 0.860 0.000 0.193 473 E C 2.423 179.014 176.600 -0.015 0.000 0.988 473 E CA 1.571 57.972 56.400 0.002 0.000 0.804 473 E CB -0.550 29.163 29.700 0.022 0.000 0.745 473 E HN 0.496 nan 8.360 nan 0.000 0.458 474 M N -0.394 119.217 119.600 0.018 0.000 2.117 474 M HA -0.168 4.828 4.480 0.860 0.000 0.262 474 M C 1.844 178.169 176.300 0.043 0.000 1.065 474 M CA 1.438 56.744 55.300 0.009 0.000 1.114 474 M CB -0.092 32.491 32.600 -0.029 0.000 1.361 474 M HN 0.208 nan 8.290 nan 0.000 0.408 475 L N 0.263 121.548 121.223 0.103 0.000 2.017 475 L HA -0.247 4.609 4.340 0.860 0.000 0.208 475 L C 2.632 179.614 176.870 0.188 0.000 1.073 475 L CA 1.679 56.647 54.840 0.213 0.000 0.745 475 L CB -0.777 41.495 42.059 0.354 0.000 0.894 475 L HN 0.384 nan 8.230 nan 0.000 0.432 476 K N 0.307 120.662 120.400 -0.075 0.000 2.103 476 K HA -0.276 4.560 4.320 0.860 0.000 0.207 476 K C 2.018 178.555 176.600 -0.105 0.000 1.048 476 K CA 1.780 57.857 56.287 -0.351 0.000 0.930 476 K CB 0.045 32.123 32.500 -0.703 0.000 0.716 476 K HN 0.094 nan 8.250 nan 0.000 0.444 477 E N -0.213 119.950 120.200 -0.063 0.000 2.077 477 E HA -0.107 4.759 4.350 0.860 0.000 0.193 477 E C 0.886 177.510 176.600 0.039 0.000 0.989 477 E CA 1.554 57.939 56.400 -0.024 0.000 0.800 477 E CB -0.281 29.410 29.700 -0.015 0.000 0.746 477 E HN 0.539 nan 8.360 nan 0.000 0.452 478 G N -0.015 108.837 108.800 0.087 0.000 2.221 478 G HA2 -0.382 4.094 3.960 0.860 0.000 0.265 478 G HA3 -0.382 4.094 3.960 0.860 0.000 0.265 478 G C 0.710 175.649 174.900 0.065 0.000 1.041 478 G CA 0.967 46.131 45.100 0.108 0.000 0.807 478 G HN 0.382 nan 8.290 nan 0.000 0.502 479 K N -1.486 118.943 120.400 0.048 0.000 2.313 479 K HA 0.367 5.203 4.320 0.860 0.000 0.197 479 K C 0.649 177.272 176.600 0.038 0.000 1.061 479 K CA 0.719 57.028 56.287 0.036 0.000 0.980 479 K CB 1.045 33.560 32.500 0.026 0.000 0.888 479 K HN 0.273 nan 8.250 nan 0.000 0.502 480 V N 2.544 122.483 119.914 0.041 0.000 2.487 480 V HA 0.160 4.796 4.120 0.860 0.000 0.298 480 V C -0.756 175.367 176.094 0.048 0.000 1.028 480 V CA -1.304 61.022 62.300 0.042 0.000 0.860 480 V CB 1.409 33.259 31.823 0.045 0.000 0.991 480 V HN 0.176 nan 8.190 nan 0.000 0.427 481 N N 7.366 126.094 118.700 0.047 0.000 2.438 481 N HA 0.175 5.431 4.740 0.860 0.000 0.267 481 N C -1.062 174.491 175.510 0.071 0.000 1.222 481 N CA -1.629 51.453 53.050 0.053 0.000 0.930 481 N CB 1.272 39.778 38.487 0.031 0.000 1.083 481 N HN 0.392 nan 8.380 nan 0.000 0.476 482 P HA -0.025 nan 4.420 nan 0.000 0.239 482 P C -0.357 177.091 177.300 0.246 0.000 1.184 482 P CA 0.445 63.602 63.100 0.094 0.000 0.760 482 P CB 0.379 32.039 31.700 -0.067 0.000 0.884 483 S N 0.575 116.362 115.700 0.145 0.000 2.536 483 S HA 0.514 5.500 4.470 0.860 0.000 0.287 483 S C -2.222 172.368 174.600 -0.016 0.000 1.101 483 S CA -1.769 56.498 58.200 0.110 0.000 0.950 483 S CB 1.849 65.145 63.200 0.160 0.000 1.056 483 S HN -0.180 nan 8.310 nan 0.000 0.481 484 P HA 0.128 nan 4.420 nan 0.000 0.240 484 P C 0.196 177.297 177.300 -0.331 0.000 1.190 484 P CA 0.484 63.388 63.100 -0.326 0.000 0.781 484 P CB -0.010 31.379 31.700 -0.519 0.000 0.931 485 Y N -1.116 119.255 120.300 0.120 0.000 2.479 485 Y HA 0.282 5.345 4.550 0.856 0.000 0.283 485 Y C 1.588 177.504 175.900 0.025 0.000 1.109 485 Y CA 0.475 58.661 58.100 0.143 0.000 1.239 485 Y CB 0.048 38.650 38.460 0.237 0.000 1.108 485 Y HN -0.150 nan 8.280 nan 0.000 0.548 486 M N -0.503 119.164 119.600 0.110 0.000 2.622 486 M HA 0.283 5.279 4.480 0.860 0.000 0.276 486 M C -0.966 175.279 176.300 -0.091 0.000 1.265 486 M CA -1.021 54.246 55.300 -0.055 0.000 0.850 486 M CB 1.851 34.464 32.600 0.022 0.000 1.720 486 M HN -0.283 nan 8.290 nan 0.000 0.465 487 K N 2.178 122.444 120.400 -0.223 0.000 2.220 487 K HA 0.405 5.241 4.320 0.860 0.000 0.283 487 K C -0.635 175.972 176.600 0.012 0.000 1.098 487 K CA -0.151 56.059 56.287 -0.128 0.000 0.928 487 K CB -0.075 32.299 32.500 -0.211 0.000 1.214 487 K HN 0.426 nan 8.250 nan 0.000 0.442 488 I N 2.086 122.703 120.570 0.078 0.000 2.437 488 I HA 0.212 4.898 4.170 0.860 0.000 0.298 488 I C 0.977 177.184 176.117 0.150 0.000 0.984 488 I CA -0.200 61.195 61.300 0.159 0.000 1.214 488 I CB 1.278 39.410 38.000 0.220 0.000 1.365 488 I HN 0.523 nan 8.210 nan 0.000 0.469 489 S N 5.345 121.144 115.700 0.165 0.000 2.840 489 S HA 0.678 5.664 4.470 0.860 0.000 0.307 489 S C -0.994 173.733 174.600 0.213 0.000 1.180 489 S CA -0.779 57.516 58.200 0.158 0.000 0.846 489 S CB 1.779 65.007 63.200 0.047 0.000 1.233 489 S HN 0.452 nan 8.310 nan 0.000 0.548 490 Y N -0.001 120.408 120.300 0.183 0.000 2.387 490 Y HA 0.730 5.796 4.550 0.860 0.000 0.330 490 Y C -0.026 175.996 175.900 0.203 0.000 1.133 490 Y CA -1.015 57.214 58.100 0.215 0.000 1.152 490 Y CB 0.664 39.307 38.460 0.305 0.000 1.215 490 Y HN 0.878 nan 8.280 nan 0.000 0.466 491 E N 1.897 122.202 120.200 0.175 0.000 2.324 491 E HA -0.012 4.854 4.350 0.860 0.000 0.271 491 E C -1.095 175.597 176.600 0.153 0.000 1.028 491 E CA -0.426 56.038 56.400 0.107 0.000 0.890 491 E CB 0.250 30.049 29.700 0.166 0.000 1.004 491 E HN 0.839 nan 8.360 nan 0.000 0.431 492 H N 3.915 122.968 119.070 -0.029 0.000 3.224 492 H HA 0.286 5.358 4.556 0.860 0.000 0.265 492 H C -0.062 175.344 175.328 0.131 0.000 1.461 492 H CA 1.138 57.230 56.048 0.074 0.000 1.509 492 H CB -0.247 29.512 29.762 -0.006 0.000 1.686 492 H HN 0.703 nan 8.280 nan 0.000 0.514 493 G N 3.511 112.286 108.800 -0.041 0.000 2.943 493 G HA2 -0.104 4.372 3.960 0.860 0.000 0.250 493 G HA3 -0.104 4.372 3.960 0.860 0.000 0.250 493 G C 0.405 175.376 174.900 0.118 0.000 0.996 493 G CA -0.470 44.628 45.100 -0.003 0.000 1.248 493 G HN 0.941 nan 8.290 nan 0.000 0.589 494 G N 0.028 108.944 108.800 0.194 0.000 2.202 494 G HA2 0.668 5.144 3.960 0.860 0.000 0.251 494 G HA3 0.668 5.144 3.960 0.860 0.000 0.251 494 G C 0.535 175.561 174.900 0.211 0.000 1.219 494 G CA 0.954 46.189 45.100 0.225 0.000 0.943 494 G HN 1.982 nan 8.290 nan 0.000 0.465 495 A N 2.112 125.065 122.820 0.222 0.000 2.556 495 A HA 0.821 5.657 4.320 0.860 0.000 0.294 495 A C -1.626 176.143 177.584 0.307 0.000 1.091 495 A CA -0.700 51.485 52.037 0.246 0.000 0.704 495 A CB 1.939 21.030 19.000 0.152 0.000 1.300 495 A HN 1.174 nan 8.150 nan 0.000 0.406 496 F N 1.686 121.671 119.950 0.058 0.000 2.617 496 F HA 0.546 5.595 4.527 0.871 0.000 0.325 496 F C -0.346 175.348 175.800 -0.177 0.000 1.179 496 F CA -1.032 56.923 58.000 -0.075 0.000 0.965 496 F CB 1.286 40.197 39.000 -0.149 0.000 1.232 496 F HN 0.429 nan 8.300 nan 0.000 0.461 497 L N 6.089 126.940 121.223 -0.621 0.000 3.739 497 L HA -0.123 4.733 4.340 0.860 0.000 0.442 497 L C 1.203 177.862 176.870 -0.351 0.000 1.241 497 L CA 1.556 56.038 54.840 -0.597 0.000 0.819 497 L CB -1.603 39.894 42.059 -0.937 0.000 1.679 497 L HN 1.287 nan 8.230 nan 0.000 0.889 498 G N -2.138 106.549 108.800 -0.189 0.000 2.284 498 G HA2 -0.249 4.227 3.960 0.860 0.000 0.247 498 G HA3 -0.249 4.227 3.960 0.860 0.000 0.247 498 G C 0.217 175.090 174.900 -0.045 0.000 1.012 498 G CA 0.250 45.288 45.100 -0.104 0.000 0.618 498 G HN 0.481 nan 8.290 nan 0.000 0.521 499 D N 0.887 121.250 120.400 -0.063 0.000 2.232 499 D HA 0.517 5.673 4.640 0.860 0.000 0.242 499 D C 0.670 177.114 176.300 0.241 0.000 1.093 499 D CA -0.310 53.721 54.000 0.051 0.000 0.845 499 D CB 1.415 42.187 40.800 -0.045 0.000 1.124 499 D HN 0.316 nan 8.370 nan 0.000 0.467 500 I N 2.034 122.733 120.570 0.215 0.000 2.496 500 I HA -0.037 4.649 4.170 0.860 0.000 0.285 500 I C 0.354 176.579 176.117 0.180 0.000 1.080 500 I CA -0.603 60.815 61.300 0.197 0.000 1.404 500 I CB 0.845 38.914 38.000 0.115 0.000 1.403 500 I HN 0.097 nan 8.210 nan 0.000 0.539 501 L N 8.368 129.617 121.223 0.042 0.000 2.363 501 L HA 0.235 5.091 4.340 0.860 0.000 0.286 501 L C -0.523 176.156 176.870 -0.319 0.000 1.106 501 L CA -0.127 54.449 54.840 -0.440 0.000 0.859 501 L CB 0.440 42.153 42.059 -0.577 0.000 1.223 501 L HN 0.406 nan 8.230 nan 0.000 0.446 502 L N 6.332 127.387 121.223 -0.280 0.000 2.283 502 L HA 0.348 5.204 4.340 0.860 0.000 0.287 502 L C -0.965 175.797 176.870 -0.181 0.000 1.073 502 L CA 0.280 55.049 54.840 -0.119 0.000 0.822 502 L CB 0.086 42.117 42.059 -0.046 0.000 1.186 502 L HN 0.438 nan 8.230 nan 0.000 0.436 503 Y N 2.944 123.263 120.300 0.031 0.000 2.352 503 Y HA 0.363 5.426 4.550 0.854 0.000 0.326 503 Y C 0.460 176.411 175.900 0.084 0.000 1.166 503 Y CA -0.532 57.593 58.100 0.043 0.000 1.182 503 Y CB 1.047 39.552 38.460 0.074 0.000 1.216 503 Y HN 0.758 nan 8.280 nan 0.000 0.474 504 D N -1.391 119.138 120.400 0.215 0.000 2.539 504 D HA 0.136 5.292 4.640 0.860 0.000 0.280 504 D C 1.167 177.533 176.300 0.109 0.000 1.208 504 D CA -0.071 54.016 54.000 0.145 0.000 1.088 504 D CB -0.118 40.735 40.800 0.087 0.000 1.149 504 D HN 0.379 nan 8.370 nan 0.000 0.596 505 S N -1.010 114.723 115.700 0.055 0.000 2.419 505 S HA -0.226 4.760 4.470 0.860 0.000 0.235 505 S C 1.706 176.302 174.600 -0.005 0.000 1.019 505 S CA 0.768 58.968 58.200 0.000 0.000 0.982 505 S CB -0.548 62.651 63.200 -0.002 0.000 0.789 505 S HN 0.451 nan 8.310 nan 0.000 0.490 506 R N 0.559 121.076 120.500 0.028 0.000 2.235 506 R HA 0.210 5.066 4.340 0.860 0.000 0.213 506 R C 0.098 176.411 176.300 0.021 0.000 1.059 506 R CA 0.201 56.314 56.100 0.023 0.000 0.997 506 R CB -0.102 30.223 30.300 0.043 0.000 0.884 506 R HN 0.175 nan 8.270 nan 0.000 0.462 507 R N 1.462 121.991 120.500 0.049 0.000 3.322 507 R HA -0.178 4.678 4.340 0.860 0.000 0.253 507 R C -1.185 175.133 176.300 0.030 0.000 0.987 507 R CA 1.005 57.083 56.100 -0.038 0.000 0.666 507 R CB -2.256 27.930 30.300 -0.191 0.000 1.072 507 R HN 0.522 nan 8.270 nan 0.000 0.447 508 E N -0.822 119.536 120.200 0.263 0.000 2.293 508 E HA 0.249 5.116 4.350 0.860 0.000 0.270 508 E C -1.974 174.825 176.600 0.332 0.000 0.879 508 E CA -2.258 54.300 56.400 0.263 0.000 0.756 508 E CB 1.882 31.669 29.700 0.146 0.000 1.208 508 E HN -0.230 nan 8.360 nan 0.000 0.428 509 P HA -0.205 nan 4.420 nan 0.000 0.216 509 P C 1.368 178.653 177.300 -0.024 0.000 1.153 509 P CA 1.548 64.703 63.100 0.091 0.000 0.858 509 P CB 0.123 31.924 31.700 0.169 0.000 0.789 510 G N -0.387 108.439 108.800 0.043 0.000 2.475 510 G HA2 -0.251 4.225 3.960 0.860 0.000 0.220 510 G HA3 -0.251 4.225 3.960 0.860 0.000 0.220 510 G C 1.321 176.211 174.900 -0.018 0.000 1.125 510 G CA 1.345 46.451 45.100 0.011 0.000 0.755 510 G HN 0.459 nan 8.290 nan 0.000 0.565 511 S N -0.764 114.936 115.700 -0.001 0.000 2.575 511 S HA 0.721 5.707 4.470 0.860 0.000 0.237 511 S C 0.645 175.211 174.600 -0.058 0.000 0.975 511 S CA 0.195 58.388 58.200 -0.012 0.000 0.960 511 S CB 0.566 63.782 63.200 0.027 0.000 0.822 511 S HN 0.555 nan 8.310 nan 0.000 0.472 512 A N 1.996 124.721 122.820 -0.158 0.000 2.294 512 A HA 0.868 5.704 4.320 0.860 0.000 0.330 512 A C -0.085 177.294 177.584 -0.342 0.000 1.133 512 A CA -1.088 50.750 52.037 -0.331 0.000 0.836 512 A CB 0.550 19.106 19.000 -0.740 0.000 1.190 512 A HN 0.875 nan 8.150 nan 0.000 0.492 513 I N -2.715 117.645 120.570 -0.350 0.000 2.828 513 I HA 0.666 5.352 4.170 0.860 0.000 0.302 513 I C -1.379 174.546 176.117 -0.320 0.000 1.101 513 I CA -0.841 60.297 61.300 -0.269 0.000 1.031 513 I CB 2.051 39.982 38.000 -0.116 0.000 1.231 513 I HN 0.484 nan 8.210 nan 0.000 0.427 514 F N 4.231 124.108 119.950 -0.122 0.000 2.411 514 F HA 0.573 5.615 4.527 0.857 0.000 0.350 514 F C 0.368 176.126 175.800 -0.070 0.000 1.114 514 F CA -0.496 57.447 58.000 -0.096 0.000 1.135 514 F CB 1.842 40.788 39.000 -0.091 0.000 1.120 514 F HN 0.410 nan 8.300 nan 0.000 0.495 515 V N 1.259 121.263 119.914 0.151 0.000 2.914 515 V HA 0.873 5.509 4.120 0.860 0.000 0.314 515 V C 0.165 176.311 176.094 0.086 0.000 1.084 515 V CA -1.030 61.318 62.300 0.080 0.000 0.963 515 V CB 1.096 32.951 31.823 0.053 0.000 1.025 515 V HN 0.800 nan 8.190 nan 0.000 0.432 516 G N 1.203 110.025 108.800 0.037 0.000 2.614 516 G HA2 0.173 4.649 3.960 0.860 0.000 0.239 516 G HA3 0.173 4.649 3.960 0.860 0.000 0.239 516 G C -0.052 174.960 174.900 0.187 0.000 1.240 516 G CA -0.228 44.892 45.100 0.032 0.000 0.842 516 G HN 0.979 nan 8.290 nan 0.000 0.584 517 N N 1.094 119.937 118.700 0.238 0.000 2.415 517 N HA 0.052 5.308 4.740 0.860 0.000 0.246 517 N C 1.223 176.929 175.510 0.327 0.000 1.078 517 N CA -0.734 52.453 53.050 0.229 0.000 0.942 517 N CB 1.045 39.627 38.487 0.159 0.000 1.140 517 N HN 0.252 nan 8.380 nan 0.000 0.501 518 I N 4.346 125.068 120.570 0.252 0.000 2.335 518 I HA -0.193 4.493 4.170 0.860 0.000 0.251 518 I C 1.718 177.906 176.117 0.118 0.000 1.129 518 I CA 1.157 62.564 61.300 0.179 0.000 1.402 518 I CB -0.440 37.675 38.000 0.191 0.000 1.069 518 I HN 0.627 nan 8.210 nan 0.000 0.424 519 N N -0.443 118.335 118.700 0.130 0.000 2.289 519 N HA -0.147 5.110 4.740 0.860 0.000 0.184 519 N C 1.825 177.387 175.510 0.088 0.000 1.016 519 N CA 1.522 54.630 53.050 0.097 0.000 0.872 519 N CB -0.025 38.431 38.487 -0.052 0.000 0.973 519 N HN 0.335 nan 8.380 nan 0.000 0.433 520 S N -0.187 115.575 115.700 0.102 0.000 2.406 520 S HA -0.062 4.924 4.470 0.860 0.000 0.228 520 S C 1.818 176.445 174.600 0.045 0.000 1.020 520 S CA 0.597 58.871 58.200 0.123 0.000 0.965 520 S CB -0.201 63.133 63.200 0.222 0.000 0.798 520 S HN 0.433 nan 8.310 nan 0.000 0.488 521 M N 1.245 120.692 119.600 -0.254 0.000 2.086 521 M HA -0.088 4.908 4.480 0.860 0.000 0.261 521 M C 1.728 177.922 176.300 -0.177 0.000 1.067 521 M CA 1.547 56.483 55.300 -0.606 0.000 1.116 521 M CB -0.276 31.612 32.600 -1.187 0.000 1.348 521 M HN 0.275 nan 8.290 nan 0.000 0.407 522 L N 0.153 121.367 121.223 -0.015 0.000 2.056 522 L HA -0.240 4.616 4.340 0.860 0.000 0.207 522 L C 2.139 179.125 176.870 0.193 0.000 1.078 522 L CA 0.919 55.863 54.840 0.172 0.000 0.749 522 L CB -1.025 41.234 42.059 0.333 0.000 0.901 522 L HN 0.360 nan 8.230 nan 0.000 0.433 523 N N 0.508 119.300 118.700 0.154 0.000 2.084 523 N HA -0.187 5.069 4.740 0.860 0.000 0.190 523 N C 1.538 177.133 175.510 0.142 0.000 1.030 523 N CA 1.533 54.679 53.050 0.161 0.000 0.849 523 N CB -0.600 37.955 38.487 0.114 0.000 1.012 523 N HN 0.438 nan 8.380 nan 0.000 0.423 524 N N 0.500 119.264 118.700 0.108 0.000 2.188 524 N HA -0.093 5.163 4.740 0.860 0.000 0.184 524 N C 1.560 177.129 175.510 0.097 0.000 1.018 524 N CA 0.653 53.777 53.050 0.122 0.000 0.858 524 N CB -0.000 38.581 38.487 0.158 0.000 0.989 524 N HN 0.409 nan 8.380 nan 0.000 0.426 525 Q N -0.569 119.212 119.800 -0.032 0.000 2.163 525 Q HA 0.037 4.893 4.340 0.860 0.000 0.198 525 Q C 0.780 176.707 176.000 -0.121 0.000 0.954 525 Q CA 0.924 56.622 55.803 -0.175 0.000 0.851 525 Q CB 0.278 28.640 28.738 -0.626 0.000 0.928 525 Q HN 0.421 nan 8.270 nan 0.000 0.459 526 F N -1.624 118.606 119.950 0.466 0.000 2.724 526 F HA 0.237 5.280 4.527 0.860 0.000 0.306 526 F C 0.688 176.794 175.800 0.510 0.000 1.100 526 F CA -0.326 58.047 58.000 0.622 0.000 1.255 526 F CB 1.226 40.575 39.000 0.581 0.000 1.072 526 F HN -0.288 nan 8.300 nan 0.000 0.589 527 S N 1.688 117.646 115.700 0.430 0.000 2.327 527 S HA 0.230 5.216 4.470 0.860 0.000 0.203 527 S C -2.520 172.188 174.600 0.180 0.000 1.326 527 S CA -1.029 57.361 58.200 0.317 0.000 1.248 527 S CB 0.156 63.527 63.200 0.285 0.000 1.199 527 S HN -0.126 nan 8.310 nan 0.000 0.422 528 P HA 0.122 nan 4.420 nan 0.000 0.270 528 P C 0.220 177.536 177.300 0.027 0.000 1.223 528 P CA -0.028 63.117 63.100 0.076 0.000 0.785 528 P CB 0.891 32.603 31.700 0.019 0.000 0.923 529 E N -0.036 120.158 120.200 -0.010 0.000 2.435 529 E HA -0.037 4.829 4.350 0.860 0.000 0.195 529 E C -0.206 176.073 176.600 -0.536 0.000 1.029 529 E CA 0.857 57.103 56.400 -0.256 0.000 0.865 529 E CB -0.126 29.380 29.700 -0.323 0.000 0.833 529 E HN 0.512 nan 8.360 nan 0.000 0.510 530 Y N -0.938 119.356 120.300 -0.011 0.000 2.588 530 Y HA 0.465 5.531 4.550 0.860 0.000 0.343 530 Y C 0.743 176.606 175.900 -0.061 0.000 1.065 530 Y CA -1.204 56.875 58.100 -0.035 0.000 1.038 530 Y CB 1.191 39.632 38.460 -0.032 0.000 1.297 530 Y HN -0.171 nan 8.280 nan 0.000 0.467 531 G N -0.005 108.857 108.800 0.103 0.000 2.621 531 G HA2 0.363 4.839 3.960 0.860 0.000 0.271 531 G HA3 0.363 4.839 3.960 0.860 0.000 0.271 531 G C 0.759 175.658 174.900 -0.002 0.000 1.236 531 G CA -0.131 44.972 45.100 0.005 0.000 0.958 531 G HN 0.830 nan 8.290 nan 0.000 0.512 532 V N -3.160 116.729 119.914 -0.041 0.000 3.380 532 V HA 0.110 4.746 4.120 0.860 0.000 0.268 532 V C 0.918 176.976 176.094 -0.060 0.000 1.168 532 V CA 1.116 63.386 62.300 -0.049 0.000 1.156 532 V CB -1.479 30.325 31.823 -0.032 0.000 0.785 532 V HN 0.769 nan 8.190 nan 0.000 0.487 533 Q N 1.307 121.080 119.800 -0.045 0.000 2.431 533 Q HA -0.231 4.626 4.340 0.860 0.000 0.344 533 Q C 1.390 177.357 176.000 -0.056 0.000 1.384 533 Q CA 0.579 56.352 55.803 -0.050 0.000 0.984 533 Q CB -1.716 26.979 28.738 -0.071 0.000 1.204 533 Q HN 0.994 nan 8.270 nan 0.000 0.392 534 S N -2.190 113.485 115.700 -0.041 0.000 2.507 534 S HA -0.068 4.918 4.470 0.860 0.000 0.235 534 S C 1.668 176.250 174.600 -0.030 0.000 0.988 534 S CA 0.627 58.805 58.200 -0.036 0.000 0.944 534 S CB 0.166 63.354 63.200 -0.021 0.000 0.762 534 S HN 0.663 nan 8.310 nan 0.000 0.526 535 G N 0.837 109.620 108.800 -0.029 0.000 2.744 535 G HA2 0.218 4.694 3.960 0.860 0.000 0.211 535 G HA3 0.218 4.694 3.960 0.860 0.000 0.211 535 G C 0.240 175.124 174.900 -0.026 0.000 1.143 535 G CA -0.079 45.008 45.100 -0.023 0.000 0.788 535 G HN 0.447 nan 8.290 nan 0.000 0.534 536 V N 2.409 122.300 119.914 -0.038 0.000 2.339 536 V HA 0.205 4.841 4.120 0.860 0.000 0.261 536 V C 1.240 177.314 176.094 -0.033 0.000 1.058 536 V CA -0.872 61.404 62.300 -0.040 0.000 0.897 536 V CB 1.047 32.833 31.823 -0.062 0.000 1.052 536 V HN 0.172 nan 8.190 nan 0.000 0.480 537 R N 1.943 122.437 120.500 -0.011 0.000 2.096 537 R HA -0.093 4.763 4.340 0.860 0.000 0.240 537 R C 0.936 177.266 176.300 0.049 0.000 1.139 537 R CA 0.908 57.016 56.100 0.013 0.000 0.952 537 R CB -0.354 29.955 30.300 0.014 0.000 0.854 537 R HN 0.710 nan 8.270 nan 0.000 0.436 538 D N 1.135 121.564 120.400 0.047 0.000 2.374 538 D HA 0.043 5.199 4.640 0.860 0.000 0.240 538 D C 0.695 177.004 176.300 0.015 0.000 1.229 538 D CA -0.002 54.069 54.000 0.118 0.000 0.895 538 D CB 0.522 41.375 40.800 0.089 0.000 1.046 538 D HN 0.010 nan 8.370 nan 0.000 0.498 539 R N 1.459 121.925 120.500 -0.057 0.000 2.120 539 R HA -0.129 4.727 4.340 0.860 0.000 0.234 539 R C 2.173 178.186 176.300 -0.480 0.000 1.123 539 R CA 1.339 57.175 56.100 -0.440 0.000 0.975 539 R CB -0.140 29.650 30.300 -0.851 0.000 0.866 539 R HN 0.453 nan 8.270 nan 0.000 0.446 540 S N 1.036 116.524 115.700 -0.354 0.000 2.442 540 S HA -0.120 4.866 4.470 0.860 0.000 0.236 540 S C 1.537 176.061 174.600 -0.128 0.000 1.007 540 S CA 0.990 59.077 58.200 -0.187 0.000 0.965 540 S CB -0.011 63.195 63.200 0.010 0.000 0.773 540 S HN 0.288 nan 8.310 nan 0.000 0.504 541 K N 0.486 120.819 120.400 -0.112 0.000 2.393 541 K HA 0.198 5.035 4.320 0.860 0.000 0.193 541 K C 0.590 177.104 176.600 -0.143 0.000 1.026 541 K CA -0.069 56.156 56.287 -0.102 0.000 1.064 541 K CB 0.214 32.675 32.500 -0.066 0.000 0.833 541 K HN 0.398 nan 8.250 nan 0.000 0.521 542 R N 0.905 121.291 120.500 -0.190 0.000 2.615 542 R HA 0.134 4.990 4.340 0.860 0.000 0.270 542 R C 1.065 177.221 176.300 -0.239 0.000 1.081 542 R CA -0.466 55.508 56.100 -0.209 0.000 1.154 542 R CB 0.458 30.618 30.300 -0.233 0.000 1.063 542 R HN -0.183 nan 8.270 nan 0.000 0.519 543 K N 1.528 121.745 120.400 -0.305 0.000 2.211 543 K HA -0.070 4.766 4.320 0.860 0.000 0.203 543 K C 0.407 176.868 176.600 -0.232 0.000 1.050 543 K CA 1.352 57.390 56.287 -0.415 0.000 0.945 543 K CB 0.112 32.046 32.500 -0.943 0.000 0.732 543 K HN 0.412 nan 8.250 nan 0.000 0.451 544 R N 0.324 120.719 120.500 -0.175 0.000 2.547 544 R HA 0.174 5.030 4.340 0.860 0.000 0.280 544 R C -2.175 174.012 176.300 -0.189 0.000 1.630 544 R CA -1.381 54.660 56.100 -0.100 0.000 1.470 544 R CB 1.203 31.486 30.300 -0.029 0.000 1.178 544 R HN -0.121 nan 8.270 nan 0.000 0.591 545 P HA -0.168 nan 4.420 nan 0.000 0.215 545 P C -0.268 176.432 177.300 -1.000 0.000 1.163 545 P CA 1.440 64.160 63.100 -0.632 0.000 0.894 545 P CB 0.240 31.666 31.700 -0.457 0.000 0.791 546 F N -3.887 116.013 119.950 -0.083 0.000 2.710 546 F HA 0.333 5.376 4.527 0.860 0.000 0.345 546 F C -1.908 173.890 175.800 -0.004 0.000 1.362 546 F CA -1.956 56.010 58.000 -0.056 0.000 1.175 546 F CB 1.028 39.984 39.000 -0.074 0.000 1.561 546 F HN -0.088 nan 8.300 nan 0.000 0.593 547 P HA -0.189 nan 4.420 nan 0.000 0.217 547 P C 1.946 179.335 177.300 0.149 0.000 1.151 547 P CA 1.781 64.979 63.100 0.162 0.000 0.849 547 P CB 0.246 32.072 31.700 0.211 0.000 0.787 548 G N -0.393 108.456 108.800 0.081 0.000 2.448 548 G HA2 -0.217 4.259 3.960 0.860 0.000 0.219 548 G HA3 -0.217 4.259 3.960 0.860 0.000 0.219 548 G C 1.406 176.347 174.900 0.068 0.000 1.127 548 G CA 0.390 45.487 45.100 -0.005 0.000 0.766 548 G HN 0.252 nan 8.290 nan 0.000 0.552 549 L N 0.502 121.789 121.223 0.108 0.000 2.191 549 L HA -0.038 4.818 4.340 0.860 0.000 0.212 549 L C 3.297 180.239 176.870 0.120 0.000 1.103 549 L CA 0.723 55.618 54.840 0.091 0.000 0.769 549 L CB -0.444 41.652 42.059 0.060 0.000 0.908 549 L HN 0.301 nan 8.230 nan 0.000 0.438 550 A N -0.257 122.658 122.820 0.158 0.000 2.024 550 A HA -0.262 4.574 4.320 0.860 0.000 0.220 550 A C 2.164 179.873 177.584 0.207 0.000 1.164 550 A CA 1.179 53.325 52.037 0.183 0.000 0.643 550 A CB -0.885 18.246 19.000 0.218 0.000 0.806 550 A HN 0.686 nan 8.150 nan 0.000 0.451 551 W N 0.469 121.770 121.300 0.001 0.000 2.363 551 W HA -0.175 5.001 4.660 0.861 0.000 0.296 551 W C 2.234 178.759 176.519 0.010 0.000 1.212 551 W CA 1.558 58.893 57.345 -0.017 0.000 1.260 551 W CB -0.089 29.305 29.460 -0.110 0.000 1.131 551 W HN 0.442 nan 8.180 nan 0.000 0.530 552 A N 0.048 122.928 122.820 0.099 0.000 2.067 552 A HA -0.166 4.670 4.320 0.860 0.000 0.219 552 A C 1.905 179.459 177.584 -0.049 0.000 1.158 552 A CA 1.980 54.019 52.037 0.003 0.000 0.661 552 A CB -0.830 18.186 19.000 0.026 0.000 0.801 552 A HN 0.311 nan 8.150 nan 0.000 0.452 553 S N -1.609 114.077 115.700 -0.023 0.000 2.511 553 S HA 0.087 5.073 4.470 0.860 0.000 0.214 553 S C 1.768 176.354 174.600 -0.024 0.000 0.997 553 S CA 0.612 58.793 58.200 -0.032 0.000 0.908 553 S CB -0.471 62.724 63.200 -0.007 0.000 0.803 553 S HN 0.519 nan 8.310 nan 0.000 0.504 554 M N 1.853 121.447 119.600 -0.009 0.000 2.088 554 M HA -0.243 4.753 4.480 0.860 0.000 0.256 554 M C 2.121 178.458 176.300 0.061 0.000 1.071 554 M CA 2.243 57.601 55.300 0.097 0.000 1.097 554 M CB -0.257 32.288 32.600 -0.093 0.000 1.315 554 M HN 0.298 nan 8.290 nan 0.000 0.406 555 K N 0.584 120.937 120.400 -0.078 0.000 2.057 555 K HA -0.206 4.630 4.320 0.860 0.000 0.207 555 K C 1.795 178.248 176.600 -0.246 0.000 1.049 555 K CA 2.191 58.353 56.287 -0.209 0.000 0.931 555 K CB -0.590 31.827 32.500 -0.139 0.000 0.714 555 K HN 0.541 nan 8.250 nan 0.000 0.440 556 D N -1.147 119.155 120.400 -0.162 0.000 2.144 556 D HA -0.113 5.043 4.640 0.860 0.000 0.199 556 D C 1.185 177.368 176.300 -0.194 0.000 0.984 556 D CA 1.462 55.367 54.000 -0.159 0.000 0.834 556 D CB 0.259 40.985 40.800 -0.123 0.000 0.955 556 D HN 0.287 nan 8.370 nan 0.000 0.465 557 T N -1.048 113.371 114.554 -0.225 0.000 2.851 557 T HA -0.085 4.781 4.350 0.860 0.000 0.262 557 T C 1.074 175.390 174.700 -0.639 0.000 1.043 557 T CA 0.843 62.682 62.100 -0.436 0.000 1.140 557 T CB -0.096 68.437 68.868 -0.558 0.000 0.872 557 T HN 0.245 nan 8.240 nan 0.000 0.446 558 Y N 0.046 120.285 120.300 -0.103 0.000 2.500 558 Y HA 0.434 5.500 4.550 0.860 0.000 0.246 558 Y C 2.275 177.925 175.900 -0.416 0.000 1.146 558 Y CA -0.795 57.243 58.100 -0.102 0.000 1.230 558 Y CB -0.165 38.369 38.460 0.123 0.000 1.214 558 Y HN 0.183 nan 8.280 nan 0.000 0.526 559 G N 0.702 109.160 108.800 -0.571 0.000 2.475 559 G HA2 -0.276 4.200 3.960 0.860 0.000 0.220 559 G HA3 -0.276 4.200 3.960 0.860 0.000 0.220 559 G C 1.725 176.400 174.900 -0.375 0.000 1.125 559 G CA 1.100 45.702 45.100 -0.830 0.000 0.755 559 G HN 0.438 nan 8.290 nan 0.000 0.565 560 A N -0.788 121.921 122.820 -0.185 0.000 2.208 560 A HA 0.223 5.059 4.320 0.860 0.000 0.209 560 A C 1.442 179.028 177.584 0.004 0.000 1.161 560 A CA 0.427 52.422 52.037 -0.069 0.000 0.782 560 A CB -0.671 18.299 19.000 -0.050 0.000 0.816 560 A HN 0.496 nan 8.150 nan 0.000 0.477 561 C N 0.826 120.155 119.300 0.048 0.000 2.648 561 C HA 0.309 5.285 4.460 0.860 0.000 0.415 561 C C -0.610 174.447 174.990 0.111 0.000 1.366 561 C CA -1.255 57.830 59.018 0.112 0.000 1.756 561 C CB 0.232 28.090 27.740 0.196 0.000 2.549 561 C HN 0.415 nan 8.230 nan 0.000 0.597 562 P HA -0.179 nan 4.420 nan 0.000 0.218 562 P C 0.886 178.226 177.300 0.068 0.000 1.154 562 P CA 1.993 65.138 63.100 0.075 0.000 0.872 562 P CB -0.109 31.632 31.700 0.069 0.000 0.790 563 I N -6.143 114.435 120.570 0.013 0.000 3.891 563 I HA 0.165 4.851 4.170 0.860 0.000 0.331 563 I C 1.856 177.938 176.117 -0.059 0.000 1.406 563 I CA -0.380 60.847 61.300 -0.120 0.000 1.139 563 I CB -0.778 36.915 38.000 -0.511 0.000 1.056 563 I HN -0.148 nan 8.210 nan 0.000 0.399 564 Y N 2.067 122.342 120.300 -0.043 0.000 2.002 564 Y HA -0.377 4.690 4.550 0.860 0.000 0.268 564 Y C 2.677 178.574 175.900 -0.006 0.000 1.177 564 Y CA 2.509 60.606 58.100 -0.006 0.000 1.111 564 Y CB -0.230 38.248 38.460 0.031 0.000 0.952 564 Y HN 0.296 nan 8.280 nan 0.000 0.491 565 S N 0.285 115.984 115.700 -0.002 0.000 2.365 565 S HA -0.262 4.724 4.470 0.860 0.000 0.225 565 S C 1.374 175.927 174.600 -0.077 0.000 1.039 565 S CA 1.803 59.958 58.200 -0.075 0.000 1.033 565 S CB -0.629 62.611 63.200 0.067 0.000 0.887 565 S HN 0.634 nan 8.310 nan 0.000 0.447 566 D N 0.611 120.987 120.400 -0.039 0.000 2.104 566 D HA -0.088 5.068 4.640 0.860 0.000 0.194 566 D C 1.913 178.190 176.300 -0.038 0.000 0.994 566 D CA 1.052 55.058 54.000 0.010 0.000 0.830 566 D CB -0.275 40.529 40.800 0.006 0.000 0.959 566 D HN 0.171 nan 8.370 nan 0.000 0.452 567 V N 0.591 120.405 119.914 -0.166 0.000 2.343 567 V HA -0.201 4.435 4.120 0.860 0.000 0.247 567 V C 2.383 178.440 176.094 -0.062 0.000 1.051 567 V CA 1.223 63.444 62.300 -0.132 0.000 1.036 567 V CB -0.462 31.271 31.823 -0.150 0.000 0.654 567 V HN 0.265 nan 8.190 nan 0.000 0.451 568 L N -0.412 120.725 121.223 -0.142 0.000 2.083 568 L HA -0.212 4.644 4.340 0.860 0.000 0.209 568 L C 2.603 179.507 176.870 0.057 0.000 1.083 568 L CA 1.710 56.518 54.840 -0.054 0.000 0.752 568 L CB -0.488 41.443 42.059 -0.214 0.000 0.899 568 L HN 0.420 nan 8.230 nan 0.000 0.433 569 E N -0.273 119.945 120.200 0.028 0.000 2.107 569 E HA -0.178 4.688 4.350 0.860 0.000 0.191 569 E C 2.283 178.913 176.600 0.049 0.000 0.982 569 E CA 0.998 57.438 56.400 0.066 0.000 0.809 569 E CB -0.105 29.629 29.700 0.058 0.000 0.756 569 E HN 0.492 nan 8.360 nan 0.000 0.459 570 A N 1.202 124.028 122.820 0.010 0.000 1.902 570 A HA -0.168 4.668 4.320 0.860 0.000 0.217 570 A C 2.151 179.729 177.584 -0.009 0.000 1.181 570 A CA 0.985 52.959 52.037 -0.105 0.000 0.623 570 A CB -0.549 18.407 19.000 -0.072 0.000 0.818 570 A HN 0.127 nan 8.150 nan 0.000 0.443 571 I N -0.743 119.879 120.570 0.087 0.000 2.127 571 I HA -0.280 4.406 4.170 0.860 0.000 0.241 571 I C 2.578 178.887 176.117 0.319 0.000 1.075 571 I CA 1.910 63.339 61.300 0.216 0.000 1.334 571 I CB -0.291 37.840 38.000 0.218 0.000 1.040 571 I HN 0.409 nan 8.210 nan 0.000 0.405 572 E N 1.125 121.493 120.200 0.280 0.000 2.049 572 E HA -0.292 4.574 4.350 0.860 0.000 0.198 572 E C 2.253 179.120 176.600 0.446 0.000 1.007 572 E CA 1.694 58.310 56.400 0.360 0.000 0.809 572 E CB -0.192 29.699 29.700 0.318 0.000 0.749 572 E HN 0.206 nan 8.360 nan 0.000 0.450 573 R N -0.614 120.062 120.500 0.293 0.000 2.080 573 R HA -0.145 4.711 4.340 0.860 0.000 0.236 573 R C 2.334 178.806 176.300 0.287 0.000 1.137 573 R CA 1.925 58.169 56.100 0.241 0.000 0.943 573 R CB -0.696 29.615 30.300 0.019 0.000 0.846 573 R HN 0.358 nan 8.270 nan 0.000 0.431 574 C N -0.465 118.975 119.300 0.234 0.000 2.435 574 C HA -0.068 4.908 4.460 0.860 0.000 0.279 574 C C 2.314 177.637 174.990 0.555 0.000 1.321 574 C CA -0.112 59.072 59.018 0.276 0.000 1.752 574 C CB -1.320 26.451 27.740 0.051 0.000 1.959 574 C HN 0.687 nan 8.230 nan 0.000 0.500 575 W N -0.318 121.224 121.300 0.402 0.000 2.436 575 W HA -0.086 5.090 4.660 0.860 0.000 0.284 575 W C 2.125 178.728 176.519 0.139 0.000 1.225 575 W CA 0.835 58.287 57.345 0.178 0.000 1.271 575 W CB -0.615 28.787 29.460 -0.097 0.000 1.114 575 W HN 0.471 nan 8.180 nan 0.000 0.559 576 W N 1.346 122.867 121.300 0.368 0.000 2.355 576 W HA -0.247 4.929 4.660 0.860 0.000 0.309 576 W C 2.288 178.874 176.519 0.112 0.000 1.206 576 W CA 1.665 59.144 57.345 0.223 0.000 1.284 576 W CB -0.757 28.801 29.460 0.164 0.000 1.145 576 W HN -0.226 nan 8.180 nan 0.000 0.502 577 N N -0.201 118.714 118.700 0.359 0.000 2.223 577 N HA -0.135 5.121 4.740 0.860 0.000 0.185 577 N C 1.519 177.051 175.510 0.036 0.000 1.016 577 N CA 1.816 54.974 53.050 0.181 0.000 0.863 577 N CB -0.897 37.662 38.487 0.120 0.000 0.983 577 N HN 0.188 nan 8.380 nan 0.000 0.429 578 A N -0.764 122.029 122.820 -0.045 0.000 1.956 578 A HA 0.199 5.035 4.320 0.860 0.000 0.212 578 A C 1.458 178.666 177.584 -0.627 0.000 1.188 578 A CA 0.454 52.282 52.037 -0.347 0.000 0.675 578 A CB -0.214 18.530 19.000 -0.428 0.000 0.845 578 A HN 0.175 nan 8.150 nan 0.000 0.455 579 F N -1.124 118.564 119.950 -0.436 0.000 2.717 579 F HA 0.365 5.407 4.527 0.860 0.000 0.297 579 F C 1.789 177.407 175.800 -0.302 0.000 1.113 579 F CA 0.559 58.281 58.000 -0.463 0.000 1.319 579 F CB 0.418 38.942 39.000 -0.794 0.000 1.097 579 F HN 0.332 nan 8.300 nan 0.000 0.595 580 G N 1.475 110.223 108.800 -0.088 0.000 2.160 580 G HA2 -0.273 4.203 3.960 0.860 0.000 0.251 580 G HA3 -0.273 4.203 3.960 0.860 0.000 0.251 580 G C -0.020 174.508 174.900 -0.621 0.000 1.008 580 G CA 0.546 45.601 45.100 -0.075 0.000 0.724 580 G HN 0.503 nan 8.290 nan 0.000 0.514 581 E N -1.489 118.179 120.200 -0.886 0.000 2.446 581 E HA 0.702 5.568 4.350 0.860 0.000 0.276 581 E C -0.425 175.562 176.600 -1.023 0.000 0.969 581 E CA -0.500 55.383 56.400 -0.862 0.000 0.800 581 E CB 1.082 30.621 29.700 -0.268 0.000 1.341 581 E HN 0.486 nan 8.360 nan 0.000 0.460 582 S N 0.443 115.815 115.700 -0.548 0.000 2.465 582 S HA 0.083 5.069 4.470 0.860 0.000 0.279 582 S C 0.185 174.640 174.600 -0.242 0.000 1.201 582 S CA -0.536 57.523 58.200 -0.236 0.000 1.053 582 S CB 0.122 63.355 63.200 0.055 0.000 0.953 582 S HN 0.663 nan 8.310 nan 0.000 0.488 583 Y N 5.651 125.677 120.300 -0.457 0.000 2.200 583 Y HA -0.102 4.964 4.550 0.860 0.000 0.290 583 Y C 2.488 178.050 175.900 -0.563 0.000 1.137 583 Y CA 1.956 59.505 58.100 -0.917 0.000 1.163 583 Y CB -0.151 37.755 38.460 -0.924 0.000 0.988 583 Y HN 0.797 nan 8.280 nan 0.000 0.518 584 R N 0.509 120.823 120.500 -0.310 0.000 2.091 584 R HA -0.217 4.639 4.340 0.860 0.000 0.238 584 R C 2.286 178.323 176.300 -0.437 0.000 1.136 584 R CA 1.532 57.437 56.100 -0.325 0.000 0.959 584 R CB -0.612 29.742 30.300 0.090 0.000 0.856 584 R HN 0.455 nan 8.270 nan 0.000 0.437 585 A N 0.034 122.698 122.820 -0.260 0.000 1.898 585 A HA -0.211 4.625 4.320 0.860 0.000 0.216 585 A C 2.016 179.403 177.584 -0.328 0.000 1.181 585 A CA 1.300 53.209 52.037 -0.214 0.000 0.620 585 A CB -0.915 18.030 19.000 -0.091 0.000 0.819 585 A HN 0.635 nan 8.150 nan 0.000 0.442 586 Y N 0.806 120.770 120.300 -0.559 0.000 2.128 586 Y HA -0.246 4.820 4.550 0.860 0.000 0.284 586 Y C 2.372 177.789 175.900 -0.805 0.000 1.154 586 Y CA 2.217 59.942 58.100 -0.625 0.000 1.149 586 Y CB -0.148 37.877 38.460 -0.725 0.000 0.976 586 Y HN 0.180 nan 8.280 nan 0.000 0.505 587 R N 0.670 120.410 120.500 -1.267 0.000 2.115 587 R HA -0.097 4.759 4.340 0.860 0.000 0.226 587 R C 2.102 177.747 176.300 -1.091 0.000 1.100 587 R CA 1.482 56.655 56.100 -1.546 0.000 0.980 587 R CB -0.670 28.050 30.300 -2.633 0.000 0.875 587 R HN 0.571 nan 8.270 nan 0.000 0.445 588 E N 0.538 120.255 120.200 -0.804 0.000 2.106 588 E HA -0.143 4.723 4.350 0.860 0.000 0.192 588 E C 1.292 177.703 176.600 -0.315 0.000 0.984 588 E CA 1.062 57.221 56.400 -0.401 0.000 0.806 588 E CB 0.046 29.620 29.700 -0.209 0.000 0.750 588 E HN 0.256 nan 8.360 nan 0.000 0.458 589 D N 0.446 120.630 120.400 -0.361 0.000 2.097 589 D HA -0.167 4.989 4.640 0.860 0.000 0.197 589 D C 1.888 178.009 176.300 -0.299 0.000 0.984 589 D CA 0.924 54.759 54.000 -0.275 0.000 0.826 589 D CB -0.228 40.419 40.800 -0.255 0.000 0.973 589 D HN 0.125 nan 8.370 nan 0.000 0.460 590 M N 0.447 119.768 119.600 -0.465 0.000 2.108 590 M HA -0.157 4.839 4.480 0.860 0.000 0.261 590 M C 2.166 178.320 176.300 -0.244 0.000 1.066 590 M CA 1.080 56.135 55.300 -0.408 0.000 1.107 590 M CB -0.014 32.214 32.600 -0.621 0.000 1.356 590 M HN 0.034 nan 8.290 nan 0.000 0.406 591 L N 0.177 121.251 121.223 -0.248 0.000 1.989 591 L HA -0.293 4.563 4.340 0.860 0.000 0.211 591 L C 2.235 179.063 176.870 -0.070 0.000 1.071 591 L CA 1.806 56.585 54.840 -0.103 0.000 0.749 591 L CB -0.424 41.611 42.059 -0.041 0.000 0.890 591 L HN 0.340 nan 8.230 nan 0.000 0.431 592 K N -0.575 119.770 120.400 -0.091 0.000 2.026 592 K HA -0.193 4.643 4.320 0.860 0.000 0.208 592 K C 2.111 178.683 176.600 -0.046 0.000 1.048 592 K CA 1.431 57.682 56.287 -0.060 0.000 0.929 592 K CB -0.176 32.286 32.500 -0.065 0.000 0.713 592 K HN 0.384 nan 8.250 nan 0.000 0.439 593 R N 0.927 121.391 120.500 -0.060 0.000 2.073 593 R HA -0.128 4.728 4.340 0.860 0.000 0.234 593 R C 1.841 178.154 176.300 0.021 0.000 1.134 593 R CA 1.561 57.645 56.100 -0.027 0.000 0.952 593 R CB -0.345 29.927 30.300 -0.046 0.000 0.850 593 R HN 0.219 nan 8.270 nan 0.000 0.433 594 D N -0.193 120.225 120.400 0.031 0.000 2.219 594 D HA -0.077 5.079 4.640 0.860 0.000 0.205 594 D C 1.711 178.045 176.300 0.056 0.000 0.970 594 D CA 1.189 55.268 54.000 0.132 0.000 0.851 594 D CB -0.186 40.721 40.800 0.177 0.000 0.943 594 D HN 0.165 nan 8.370 nan 0.000 0.488 595 T N 0.762 115.311 114.554 -0.009 0.000 2.821 595 T HA -0.040 4.826 4.350 0.860 0.000 0.267 595 T C 2.165 176.840 174.700 -0.042 0.000 1.046 595 T CA 0.522 62.588 62.100 -0.056 0.000 1.139 595 T CB -0.079 68.763 68.868 -0.043 0.000 0.871 595 T HN 0.139 nan 8.240 nan 0.000 0.454 596 L N 0.481 121.701 121.223 -0.005 0.000 2.072 596 L HA -0.015 4.841 4.340 0.860 0.000 0.205 596 L C 2.784 179.684 176.870 0.049 0.000 1.079 596 L CA 1.066 55.911 54.840 0.009 0.000 0.752 596 L CB -0.393 41.672 42.059 0.011 0.000 0.906 596 L HN 0.162 nan 8.230 nan 0.000 0.436 597 E N 0.684 120.948 120.200 0.107 0.000 2.110 597 E HA -0.242 4.624 4.350 0.860 0.000 0.193 597 E C 1.988 178.772 176.600 0.305 0.000 0.988 597 E CA 1.048 57.589 56.400 0.235 0.000 0.804 597 E CB -0.270 29.623 29.700 0.322 0.000 0.745 597 E HN 0.242 nan 8.360 nan 0.000 0.458 598 L N 0.580 121.825 121.223 0.037 0.000 2.079 598 L HA -0.180 4.676 4.340 0.860 0.000 0.210 598 L C 2.159 179.009 176.870 -0.033 0.000 1.081 598 L CA 2.367 57.029 54.840 -0.298 0.000 0.752 598 L CB -0.899 40.778 42.059 -0.636 0.000 0.896 598 L HN 0.258 nan 8.230 nan 0.000 0.433 599 S N -1.024 114.667 115.700 -0.015 0.000 2.442 599 S HA -0.248 4.738 4.470 0.860 0.000 0.236 599 S C 2.174 176.785 174.600 0.018 0.000 1.007 599 S CA 0.999 59.193 58.200 -0.009 0.000 0.965 599 S CB -0.763 62.425 63.200 -0.020 0.000 0.773 599 S HN 0.615 nan 8.310 nan 0.000 0.504 600 R N -0.283 120.253 120.500 0.060 0.000 2.148 600 R HA -0.035 4.821 4.340 0.860 0.000 0.227 600 R C 1.124 177.319 176.300 -0.174 0.000 1.103 600 R CA 1.289 57.355 56.100 -0.057 0.000 0.983 600 R CB -0.206 30.048 30.300 -0.077 0.000 0.874 600 R HN 0.584 nan 8.270 nan 0.000 0.451 601 Y N -1.135 119.183 120.300 0.029 0.000 2.497 601 Y HA 0.192 5.258 4.550 0.860 0.000 0.265 601 Y C 0.168 176.065 175.900 -0.005 0.000 1.111 601 Y CA -0.143 57.981 58.100 0.040 0.000 1.288 601 Y CB 0.937 39.470 38.460 0.121 0.000 1.082 601 Y HN -0.231 nan 8.280 nan 0.000 0.536 602 V N 0.642 120.607 119.914 0.086 0.000 2.334 602 V HA 0.416 5.052 4.120 0.860 0.000 0.281 602 V C 0.887 176.979 176.094 -0.002 0.000 1.016 602 V CA -0.384 61.931 62.300 0.025 0.000 0.832 602 V CB 0.721 32.533 31.823 -0.018 0.000 0.999 602 V HN 0.294 nan 8.190 nan 0.000 0.439 603 A N 4.461 127.278 122.820 -0.004 0.000 1.865 603 A HA -0.144 4.692 4.320 0.860 0.000 0.217 603 A C 2.385 179.958 177.584 -0.019 0.000 1.191 603 A CA 2.308 54.336 52.037 -0.015 0.000 0.623 603 A CB -0.644 18.348 19.000 -0.014 0.000 0.826 603 A HN 1.041 nan 8.150 nan 0.000 0.444 604 S N -0.933 114.755 115.700 -0.020 0.000 2.419 604 S HA -0.072 4.914 4.470 0.860 0.000 0.235 604 S C 1.060 175.643 174.600 -0.028 0.000 1.019 604 S CA 1.090 59.275 58.200 -0.024 0.000 0.982 604 S CB -0.664 62.521 63.200 -0.025 0.000 0.789 604 S HN 0.535 nan 8.310 nan 0.000 0.490 605 M N 2.655 122.237 119.600 -0.030 0.000 2.251 605 M HA 0.431 5.428 4.480 0.860 0.000 0.346 605 M C 0.363 176.645 176.300 -0.031 0.000 1.499 605 M CA -0.233 55.045 55.300 -0.036 0.000 1.128 605 M CB 0.309 32.882 32.600 -0.045 0.000 1.809 605 M HN 0.384 nan 8.290 nan 0.000 0.464 606 A N 5.214 128.016 122.820 -0.031 0.000 2.586 606 A HA -0.003 4.833 4.320 0.860 0.000 0.231 606 A C 0.546 178.114 177.584 -0.026 0.000 1.055 606 A CA 0.157 52.178 52.037 -0.027 0.000 0.756 606 A CB 0.115 19.099 19.000 -0.026 0.000 0.988 606 A HN 0.969 nan 8.150 nan 0.000 0.509 607 R N 0.525 121.011 120.500 -0.023 0.000 2.500 607 R HA -0.023 4.833 4.340 0.860 0.000 0.212 607 R C 0.122 176.411 176.300 -0.020 0.000 1.330 607 R CA 0.971 57.058 56.100 -0.021 0.000 1.262 607 R CB -0.367 29.921 30.300 -0.020 0.000 0.998 607 R HN 0.806 nan 8.270 nan 0.000 0.484 608 Q N -2.041 117.746 119.800 -0.023 0.000 1.320 608 Q HA 0.044 4.900 4.340 0.860 0.000 0.128 608 Q C -1.111 174.873 176.000 -0.026 0.000 0.729 608 Q CA -0.101 55.688 55.803 -0.023 0.000 0.620 608 Q CB -0.009 28.718 28.738 -0.018 0.000 1.133 608 Q HN 0.387 nan 8.270 nan 0.000 0.319 609 A N 0.304 123.107 122.820 -0.030 0.000 2.407 609 A HA 0.669 5.505 4.320 0.860 0.000 0.248 609 A C 1.037 178.599 177.584 -0.037 0.000 1.082 609 A CA 0.705 52.723 52.037 -0.031 0.000 0.785 609 A CB 0.321 19.301 19.000 -0.033 0.000 1.020 609 A HN 0.332 nan 8.150 nan 0.000 0.489 610 G N -0.395 108.384 108.800 -0.035 0.000 2.421 610 G HA2 0.270 4.747 3.960 0.860 0.000 0.238 610 G HA3 0.270 4.747 3.960 0.860 0.000 0.238 610 G C 0.523 175.393 174.900 -0.050 0.000 1.544 610 G CA 0.049 45.126 45.100 -0.038 0.000 1.044 610 G HN 0.719 nan 8.290 nan 0.000 0.537 611 L N 0.916 122.109 121.223 -0.050 0.000 2.818 611 L HA 0.250 5.106 4.340 0.860 0.000 0.243 611 L C 2.701 179.537 176.870 -0.057 0.000 1.185 611 L CA 0.304 55.107 54.840 -0.061 0.000 0.988 611 L CB 0.155 42.180 42.059 -0.058 0.000 1.292 611 L HN 0.543 nan 8.230 nan 0.000 0.519 612 A N 0.595 123.386 122.820 -0.049 0.000 1.927 612 A HA -0.221 4.615 4.320 0.860 0.000 0.220 612 A C 2.111 179.663 177.584 -0.053 0.000 1.185 612 A CA 1.771 53.780 52.037 -0.046 0.000 0.639 612 A CB -0.165 18.811 19.000 -0.039 0.000 0.820 612 A HN 0.370 nan 8.150 nan 0.000 0.451 613 E N -0.472 119.695 120.200 -0.056 0.000 2.435 613 E HA 0.118 4.984 4.350 0.860 0.000 0.195 613 E C 0.202 176.758 176.600 -0.072 0.000 1.029 613 E CA 0.031 56.395 56.400 -0.060 0.000 0.865 613 E CB -0.156 29.511 29.700 -0.055 0.000 0.833 613 E HN 0.610 nan 8.360 nan 0.000 0.510 614 L N 1.949 123.125 121.223 -0.079 0.000 2.326 614 L HA 0.159 5.015 4.340 0.860 0.000 0.278 614 L C 1.038 177.847 176.870 -0.102 0.000 1.092 614 L CA -0.398 54.386 54.840 -0.093 0.000 0.810 614 L CB 0.853 42.853 42.059 -0.098 0.000 1.153 614 L HN -0.050 nan 8.230 nan 0.000 0.439 615 T N -0.618 113.861 114.554 -0.125 0.000 2.788 615 T HA 0.274 5.140 4.350 0.860 0.000 0.280 615 T C -1.932 172.672 174.700 -0.160 0.000 0.984 615 T CA -1.667 60.345 62.100 -0.146 0.000 0.972 615 T CB 1.448 70.207 68.868 -0.182 0.000 1.039 615 T HN 0.316 nan 8.240 nan 0.000 0.530 616 P HA 0.072 nan 4.420 nan 0.000 0.217 616 P C 1.652 178.817 177.300 -0.226 0.000 1.150 616 P CA 0.770 63.776 63.100 -0.156 0.000 0.832 616 P CB -0.095 31.519 31.700 -0.143 0.000 0.787 617 I N -0.302 120.031 120.570 -0.394 0.000 2.179 617 I HA -0.259 4.427 4.170 0.860 0.000 0.242 617 I C 1.839 177.692 176.117 -0.440 0.000 1.088 617 I CA 1.576 62.439 61.300 -0.728 0.000 1.357 617 I CB -0.759 36.645 38.000 -0.994 0.000 1.051 617 I HN -0.053 nan 8.210 nan 0.000 0.409 618 D N 1.009 121.234 120.400 -0.291 0.000 2.116 618 D HA -0.183 4.973 4.640 0.860 0.000 0.193 618 D C 2.321 178.552 176.300 -0.114 0.000 0.998 618 D CA 1.409 55.303 54.000 -0.177 0.000 0.836 618 D CB -0.402 40.312 40.800 -0.143 0.000 0.951 618 D HN 0.293 nan 8.370 nan 0.000 0.449 619 L N 0.887 122.049 121.223 -0.101 0.000 2.017 619 L HA -0.149 4.707 4.340 0.860 0.000 0.208 619 L C 2.428 179.312 176.870 0.025 0.000 1.073 619 L CA 1.057 55.874 54.840 -0.038 0.000 0.745 619 L CB -0.454 41.586 42.059 -0.031 0.000 0.894 619 L HN -0.039 nan 8.230 nan 0.000 0.432 620 E N 0.001 120.223 120.200 0.037 0.000 2.118 620 E HA -0.173 4.693 4.350 0.860 0.000 0.195 620 E C 2.371 179.074 176.600 0.172 0.000 0.992 620 E CA 1.153 57.646 56.400 0.156 0.000 0.804 620 E CB -0.295 29.581 29.700 0.294 0.000 0.741 620 E HN 0.329 nan 8.360 nan 0.000 0.458 621 V N 1.374 121.355 119.914 0.111 0.000 2.379 621 V HA -0.191 4.445 4.120 0.860 0.000 0.245 621 V C 2.478 178.617 176.094 0.075 0.000 1.044 621 V CA 1.085 63.446 62.300 0.101 0.000 1.036 621 V CB -0.387 31.462 31.823 0.044 0.000 0.664 621 V HN 0.192 nan 8.190 nan 0.000 0.453 622 L N -0.055 121.209 121.223 0.069 0.000 2.191 622 L HA -0.128 4.728 4.340 0.860 0.000 0.212 622 L C 2.483 179.464 176.870 0.186 0.000 1.103 622 L CA 1.419 56.340 54.840 0.136 0.000 0.769 622 L CB -0.515 41.594 42.059 0.084 0.000 0.908 622 L HN 0.376 nan 8.230 nan 0.000 0.438 623 A N -1.568 121.340 122.820 0.146 0.000 2.030 623 A HA -0.067 4.769 4.320 0.860 0.000 0.215 623 A C 0.606 178.256 177.584 0.110 0.000 1.164 623 A CA 0.829 52.951 52.037 0.143 0.000 0.697 623 A CB 0.097 19.193 19.000 0.160 0.000 0.827 623 A HN 0.326 nan 8.150 nan 0.000 0.457 624 D N -2.032 118.433 120.400 0.107 0.000 2.668 624 D HA 0.303 5.459 4.640 0.860 0.000 0.247 624 D C -2.446 173.886 176.300 0.054 0.000 1.268 624 D CA -1.507 52.549 54.000 0.093 0.000 0.842 624 D CB 0.970 41.855 40.800 0.141 0.000 1.399 624 D HN -0.112 nan 8.370 nan 0.000 0.530 625 P HA -0.125 nan 4.420 nan 0.000 0.218 625 P C 0.929 178.209 177.300 -0.034 0.000 1.146 625 P CA 1.074 64.169 63.100 -0.010 0.000 0.820 625 P CB 0.140 31.815 31.700 -0.042 0.000 0.778 626 N N -0.622 118.067 118.700 -0.018 0.000 2.272 626 N HA -0.163 5.093 4.740 0.860 0.000 0.185 626 N C 1.427 176.726 175.510 -0.352 0.000 1.014 626 N CA 0.710 53.746 53.050 -0.022 0.000 0.870 626 N CB -0.210 38.391 38.487 0.190 0.000 0.975 626 N HN 0.254 nan 8.380 nan 0.000 0.433 627 K N 0.322 120.450 120.400 -0.452 0.000 2.362 627 K HA -0.071 4.765 4.320 0.860 0.000 0.200 627 K C 1.198 177.548 176.600 -0.417 0.000 1.046 627 K CA 0.376 56.160 56.287 -0.839 0.000 0.952 627 K CB 0.085 32.356 32.500 -0.382 0.000 0.753 627 K HN 0.093 nan 8.250 nan 0.000 0.466 628 L N 0.588 121.723 121.223 -0.146 0.000 2.599 628 L HA -0.034 4.822 4.340 0.860 0.000 0.230 628 L C 1.672 178.526 176.870 -0.027 0.000 1.141 628 L CA 1.353 56.195 54.840 0.002 0.000 0.877 628 L CB 0.017 42.100 42.059 0.039 0.000 1.009 628 L HN 0.032 nan 8.230 nan 0.000 0.447 629 Q N -1.947 117.784 119.800 -0.114 0.000 2.481 629 Q HA 0.019 4.875 4.340 0.860 0.000 0.219 629 Q C 1.239 177.246 176.000 0.012 0.000 0.920 629 Q CA 1.084 56.878 55.803 -0.016 0.000 0.915 629 Q CB 0.086 28.849 28.738 0.041 0.000 1.057 629 Q HN 0.599 nan 8.270 nan 0.000 0.581 630 Y N -1.748 118.531 120.300 -0.036 0.000 2.458 630 Y HA 0.508 5.574 4.550 0.859 0.000 0.256 630 Y C 1.297 177.082 175.900 -0.191 0.000 1.159 630 Y CA -0.018 58.029 58.100 -0.088 0.000 1.261 630 Y CB 0.229 38.639 38.460 -0.084 0.000 1.119 630 Y HN -0.063 nan 8.280 nan 0.000 0.524 631 K N -1.370 118.815 120.400 -0.359 0.000 2.606 631 K HA 0.173 5.009 4.320 0.860 0.000 0.199 631 K C -0.169 176.109 176.600 -0.536 0.000 1.403 631 K CA 0.012 55.963 56.287 -0.560 0.000 1.011 631 K CB 0.637 32.512 32.500 -1.041 0.000 1.623 631 K HN 0.138 nan 8.250 nan 0.000 0.512 632 W N 0.342 121.549 121.300 -0.155 0.000 3.164 632 W HA 0.495 5.671 4.660 0.860 0.000 0.325 632 W C -0.214 176.246 176.519 -0.098 0.000 1.228 632 W CA -0.645 56.622 57.345 -0.130 0.000 1.024 632 W CB 0.827 30.215 29.460 -0.121 0.000 1.534 632 W HN -0.158 nan 8.180 nan 0.000 0.614 633 T N -0.337 114.323 114.554 0.177 0.000 2.896 633 T HA 0.116 4.982 4.350 0.860 0.000 0.297 633 T C 0.894 175.642 174.700 0.080 0.000 1.108 633 T CA -0.383 61.775 62.100 0.097 0.000 1.004 633 T CB 1.666 70.535 68.868 0.001 0.000 1.159 633 T HN 0.530 nan 8.240 nan 0.000 0.499 634 E N 1.851 122.110 120.200 0.100 0.000 2.136 634 E HA -0.280 4.586 4.350 0.860 0.000 0.208 634 E C 1.804 178.329 176.600 -0.124 0.000 1.035 634 E CA 2.183 58.594 56.400 0.019 0.000 0.838 634 E CB -0.384 29.254 29.700 -0.103 0.000 0.748 634 E HN 0.667 nan 8.360 nan 0.000 0.459 635 A N 0.493 123.249 122.820 -0.107 0.000 2.178 635 A HA -0.150 4.686 4.320 0.860 0.000 0.218 635 A C 1.400 178.936 177.584 -0.081 0.000 1.157 635 A CA 1.482 53.450 52.037 -0.115 0.000 0.689 635 A CB -0.168 18.764 19.000 -0.113 0.000 0.787 635 A HN 0.366 nan 8.150 nan 0.000 0.465 636 D N -0.788 119.573 120.400 -0.065 0.000 2.348 636 D HA 0.123 5.279 4.640 0.860 0.000 0.211 636 D C 0.140 176.320 176.300 -0.200 0.000 0.998 636 D CA 0.410 54.334 54.000 -0.125 0.000 0.873 636 D CB 0.302 41.001 40.800 -0.169 0.000 0.925 636 D HN 0.199 nan 8.370 nan 0.000 0.524 637 V N 1.202 121.041 119.914 -0.126 0.000 2.483 637 V HA 0.157 4.793 4.120 0.860 0.000 0.295 637 V C 0.495 176.544 176.094 -0.075 0.000 1.035 637 V CA -0.840 61.396 62.300 -0.106 0.000 0.896 637 V CB 1.943 33.765 31.823 -0.002 0.000 0.986 637 V HN -0.057 nan 8.190 nan 0.000 0.447 638 S N 3.018 118.668 115.700 -0.083 0.000 2.558 638 S HA 0.099 5.085 4.470 0.860 0.000 0.291 638 S C 1.492 176.079 174.600 -0.023 0.000 1.306 638 S CA 0.205 58.367 58.200 -0.064 0.000 1.056 638 S CB 0.995 64.154 63.200 -0.070 0.000 0.836 638 S HN 1.039 nan 8.310 nan 0.000 0.504 639 A N 3.689 126.490 122.820 -0.032 0.000 1.940 639 A HA -0.201 4.635 4.320 0.860 0.000 0.219 639 A C 2.049 179.646 177.584 0.022 0.000 1.176 639 A CA 1.736 53.768 52.037 -0.009 0.000 0.631 639 A CB -0.681 18.298 19.000 -0.036 0.000 0.814 639 A HN 0.918 nan 8.150 nan 0.000 0.446 640 N N 0.158 118.856 118.700 -0.004 0.000 2.381 640 N HA -0.104 5.152 4.740 0.860 0.000 0.182 640 N C 1.252 176.764 175.510 0.003 0.000 1.025 640 N CA 1.441 54.489 53.050 -0.004 0.000 0.888 640 N CB -0.398 38.076 38.487 -0.021 0.000 0.965 640 N HN 0.384 nan 8.380 nan 0.000 0.438 641 I N 1.040 121.612 120.570 0.002 0.000 2.480 641 I HA -0.098 4.588 4.170 0.860 0.000 0.251 641 I C 2.413 178.543 176.117 0.021 0.000 1.124 641 I CA 0.690 61.985 61.300 -0.007 0.000 1.444 641 I CB -1.449 36.530 38.000 -0.035 0.000 1.098 641 I HN 0.291 nan 8.210 nan 0.000 0.428 642 H N 1.893 120.942 119.070 -0.036 0.000 2.352 642 H HA -0.159 4.913 4.556 0.860 0.000 0.299 642 H C 1.705 177.026 175.328 -0.012 0.000 1.097 642 H CA 1.748 57.781 56.048 -0.024 0.000 1.311 642 H CB 0.386 30.130 29.762 -0.030 0.000 1.377 642 H HN 0.418 nan 8.280 nan 0.000 0.504 643 E N -0.108 120.122 120.200 0.050 0.000 2.265 643 E HA -0.102 4.764 4.350 0.860 0.000 0.196 643 E C 2.340 178.937 176.600 -0.005 0.000 0.996 643 E CA 0.762 57.164 56.400 0.003 0.000 0.832 643 E CB 0.207 29.911 29.700 0.007 0.000 0.756 643 E HN 0.256 nan 8.360 nan 0.000 0.491 644 V N 0.933 120.850 119.914 0.005 0.000 2.515 644 V HA -0.191 4.445 4.120 0.860 0.000 0.250 644 V C 1.932 178.034 176.094 0.014 0.000 1.058 644 V CA 1.366 63.697 62.300 0.051 0.000 1.064 644 V CB -0.167 31.691 31.823 0.058 0.000 0.675 644 V HN 0.286 nan 8.190 nan 0.000 0.461 645 L N -1.480 119.699 121.223 -0.072 0.000 2.556 645 L HA 0.267 5.123 4.340 0.860 0.000 0.226 645 L C 0.436 177.225 176.870 -0.134 0.000 1.089 645 L CA 0.304 55.080 54.840 -0.107 0.000 0.864 645 L CB 0.144 42.118 42.059 -0.143 0.000 1.067 645 L HN 0.261 nan 8.230 nan 0.000 0.477 646 M N -1.391 118.106 119.600 -0.171 0.000 2.593 646 M HA 0.458 5.454 4.480 0.860 0.000 0.290 646 M C -1.184 175.123 176.300 0.011 0.000 1.244 646 M CA -0.367 54.870 55.300 -0.105 0.000 0.857 646 M CB 2.156 34.623 32.600 -0.220 0.000 1.738 646 M HN -0.140 nan 8.290 nan 0.000 0.461 647 H N -0.404 118.661 119.070 -0.008 0.000 2.768 647 H HA 0.768 5.840 4.556 0.860 0.000 0.371 647 H C -1.285 174.071 175.328 0.045 0.000 1.151 647 H CA -0.207 55.853 56.048 0.020 0.000 1.165 647 H CB 2.247 32.014 29.762 0.008 0.000 1.722 647 H HN 0.840 nan 8.280 nan 0.000 0.543 648 G N 1.757 110.649 108.800 0.154 0.000 2.489 648 G HA2 0.499 4.975 3.960 0.860 0.000 0.327 648 G HA3 0.499 4.975 3.960 0.860 0.000 0.327 648 G C -0.864 174.183 174.900 0.246 0.000 1.189 648 G CA -0.466 44.747 45.100 0.189 0.000 0.962 648 G HN 0.434 nan 8.290 nan 0.000 0.486 649 V N 0.579 120.587 119.914 0.157 0.000 2.743 649 V HA 0.416 5.052 4.120 0.860 0.000 0.301 649 V C 1.008 177.154 176.094 0.085 0.000 1.057 649 V CA -0.485 61.885 62.300 0.117 0.000 1.006 649 V CB 1.673 33.545 31.823 0.081 0.000 1.024 649 V HN 1.053 nan 8.190 nan 0.000 0.473 650 S N 2.754 118.496 115.700 0.069 0.000 2.558 650 S HA 0.036 5.022 4.470 0.860 0.000 0.291 650 S C 1.076 175.704 174.600 0.047 0.000 1.306 650 S CA -0.270 57.962 58.200 0.052 0.000 1.056 650 S CB 0.870 64.096 63.200 0.043 0.000 0.836 650 S HN 0.510 nan 8.310 nan 0.000 0.504 651 V N 2.564 122.501 119.914 0.038 0.000 2.407 651 V HA -0.164 4.472 4.120 0.860 0.000 0.248 651 V C 2.405 178.523 176.094 0.040 0.000 1.055 651 V CA 2.120 64.442 62.300 0.036 0.000 1.049 651 V CB -1.483 30.354 31.823 0.023 0.000 0.662 651 V HN 0.876 nan 8.190 nan 0.000 0.455 652 E N 0.699 120.920 120.200 0.035 0.000 2.110 652 E HA -0.183 4.683 4.350 0.860 0.000 0.193 652 E C 2.148 178.778 176.600 0.049 0.000 0.988 652 E CA 1.131 57.552 56.400 0.035 0.000 0.804 652 E CB -0.351 29.365 29.700 0.027 0.000 0.745 652 E HN 0.570 nan 8.360 nan 0.000 0.458 653 K N -0.093 120.337 120.400 0.051 0.000 2.103 653 K HA -0.052 4.784 4.320 0.860 0.000 0.204 653 K C 2.314 178.976 176.600 0.103 0.000 1.052 653 K CA 1.591 57.915 56.287 0.062 0.000 0.945 653 K CB -0.103 32.420 32.500 0.039 0.000 0.722 653 K HN 0.305 nan 8.250 nan 0.000 0.443 654 T N -1.396 113.217 114.554 0.099 0.000 2.896 654 T HA -0.087 4.779 4.350 0.860 0.000 0.263 654 T C 1.833 176.649 174.700 0.193 0.000 1.050 654 T CA 0.871 63.066 62.100 0.159 0.000 1.140 654 T CB -0.041 68.894 68.868 0.113 0.000 0.877 654 T HN 0.191 nan 8.240 nan 0.000 0.457 655 E N 1.002 121.267 120.200 0.109 0.000 2.058 655 E HA -0.189 4.677 4.350 0.860 0.000 0.194 655 E C 2.524 179.165 176.600 0.068 0.000 0.997 655 E CA 1.021 57.462 56.400 0.068 0.000 0.801 655 E CB -0.108 29.615 29.700 0.040 0.000 0.746 655 E HN 0.510 nan 8.360 nan 0.000 0.450 656 R N -0.509 120.044 120.500 0.088 0.000 2.073 656 R HA -0.168 4.688 4.340 0.860 0.000 0.234 656 R C 2.303 178.673 176.300 0.116 0.000 1.134 656 R CA 1.568 57.715 56.100 0.079 0.000 0.952 656 R CB -0.429 29.917 30.300 0.078 0.000 0.850 656 R HN 0.228 nan 8.270 nan 0.000 0.433 657 F N 1.056 121.029 119.950 0.038 0.000 2.069 657 F HA -0.246 4.797 4.527 0.860 0.000 0.298 657 F C 1.896 177.737 175.800 0.069 0.000 1.113 657 F CA 1.569 59.618 58.000 0.081 0.000 1.214 657 F CB -0.623 38.431 39.000 0.090 0.000 0.978 657 F HN 0.077 nan 8.300 nan 0.000 0.474 658 L N 0.811 122.013 121.223 -0.034 0.000 2.079 658 L HA -0.188 4.668 4.340 0.860 0.000 0.210 658 L C 2.593 179.298 176.870 -0.276 0.000 1.081 658 L CA 1.807 56.514 54.840 -0.222 0.000 0.752 658 L CB -0.806 41.233 42.059 -0.034 0.000 0.896 658 L HN 0.133 nan 8.230 nan 0.000 0.433 659 R N -0.899 119.510 120.500 -0.153 0.000 2.081 659 R HA -0.148 4.708 4.340 0.860 0.000 0.235 659 R C 2.482 178.687 176.300 -0.159 0.000 1.131 659 R CA 1.494 57.513 56.100 -0.136 0.000 0.960 659 R CB -0.295 29.966 30.300 -0.065 0.000 0.856 659 R HN 0.640 nan 8.270 nan 0.000 0.436 660 S N -1.151 114.471 115.700 -0.131 0.000 2.481 660 S HA -0.018 4.968 4.470 0.860 0.000 0.231 660 S C 1.737 176.282 174.600 -0.093 0.000 0.996 660 S CA 0.799 58.984 58.200 -0.025 0.000 0.942 660 S CB 0.187 63.458 63.200 0.118 0.000 0.768 660 S HN 0.095 nan 8.310 nan 0.000 0.520 661 V N 1.390 121.055 119.914 -0.414 0.000 2.403 661 V HA 0.224 4.860 4.120 0.860 0.000 0.239 661 V C 1.479 177.103 176.094 -0.784 0.000 1.041 661 V CA 0.820 62.691 62.300 -0.716 0.000 1.051 661 V CB -0.467 30.733 31.823 -1.038 0.000 0.704 661 V HN 0.459 nan 8.190 nan 0.000 0.472 662 M N 0.635 119.777 119.600 -0.762 0.000 2.250 662 M HA 0.096 5.092 4.480 0.860 0.000 0.325 662 M C -1.200 174.753 176.300 -0.577 0.000 1.084 662 M CA -0.987 53.790 55.300 -0.872 0.000 1.161 662 M CB 0.247 32.505 32.600 -0.570 0.000 1.481 662 M HN 0.023 nan 8.290 nan 0.000 0.449 663 P HA -0.093 nan 4.420 nan 0.000 0.210 663 P C -0.095 177.098 177.300 -0.178 0.000 1.185 663 P CA 1.502 64.445 63.100 -0.261 0.000 0.924 663 P CB 0.309 31.916 31.700 -0.155 0.000 0.786 664 R N 0.000 120.409 120.500 -0.152 0.000 2.786 664 R HA 0.000 4.856 4.340 0.860 0.000 0.208 664 R CA 0.000 56.038 56.100 -0.103 0.000 0.921 664 R CB 0.000 30.263 30.300 -0.061 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535