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 1gvi_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIHHRS TDNFAYAYDS ETLHLRLQTK KNDVDHVELL FGDPYEWHDG DATA SEQUENCE AWQFQTMPMR KTGSDGLFDY WLAEVKPPYR RLRYGFVLRA GGEKLVYTEK DATA SEQUENCE GFYHEAPSDD TAYYFCFPFL HRVDLFQAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE AISPKGARPW GSEDPTPTSF FGGDLQGIID HLDYLADLGI TGIYLTPIFR DATA SEQUENCE APSNHKYDTA DYFEIDPHFG DKETLKTLVK RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVLK NGAASRYKDW FHIREFPLQT EPRPNYDTFA FVPHMPKLNT DATA SEQUENCE AHPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHQFWRE FRQAVKALKP DATA SEQUENCE DVYILGLIWH DAMPWLRGDQ FDAVMNYPLA DAALRFFAKE DMSASEFADR DATA SEQUENCE LMHVLHSYPK QVNEAAFNLL GSHDTPRLLT VCGGDVRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPE KQNKELYEHV KQLIALRKQY DATA SEQUENCE RALRRGDVAF LTADDEVNHL VYAKTDGNET VMIIINRSNE AAEIPMPIDA DATA SEQUENCE RGKWLVNLLT GERFAAEAET LCVSLPPYGF VLYAVESW 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.231 176.300 -0.115 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.079 0.000 0.988 1 M CB 0.000 32.543 32.600 -0.094 0.000 1.302 2 R N 3.820 124.274 120.500 -0.076 0.000 2.513 2 R HA 0.037 4.378 4.340 0.003 0.000 0.333 2 R C 0.329 176.573 176.300 -0.093 0.000 0.925 2 R CA 0.349 56.408 56.100 -0.069 0.000 1.072 2 R CB -0.066 30.219 30.300 -0.024 0.000 0.914 2 R HN 0.739 nan 8.270 nan 0.000 0.408 3 K N 2.243 122.557 120.400 -0.143 0.000 2.262 3 K HA -0.063 4.258 4.320 0.003 0.000 0.200 3 K C 1.117 177.747 176.600 0.051 0.000 1.049 3 K CA 0.756 56.948 56.287 -0.159 0.000 0.979 3 K CB 0.292 32.562 32.500 -0.383 0.000 0.773 3 K HN 0.396 nan 8.250 nan 0.000 0.474 4 E N 1.216 121.443 120.200 0.045 0.000 2.267 4 E HA -0.171 4.180 4.350 0.003 0.000 0.197 4 E C 1.701 178.372 176.600 0.119 0.000 0.998 4 E CA 1.312 57.765 56.400 0.087 0.000 0.830 4 E CB -0.136 29.600 29.700 0.061 0.000 0.751 4 E HN 0.342 nan 8.360 nan 0.000 0.491 5 A N 0.533 123.426 122.820 0.122 0.000 2.044 5 A HA 0.154 4.475 4.320 0.003 0.000 0.213 5 A C 0.993 178.669 177.584 0.154 0.000 1.169 5 A CA -0.174 51.989 52.037 0.211 0.000 0.724 5 A CB -0.075 19.069 19.000 0.238 0.000 0.840 5 A HN 0.104 nan 8.150 nan 0.000 0.463 6 I N 0.381 120.997 120.570 0.076 0.000 2.692 6 I HA 0.277 4.448 4.170 0.003 0.000 0.284 6 I C 0.231 176.334 176.117 -0.022 0.000 1.159 6 I CA 0.473 61.748 61.300 -0.042 0.000 1.423 6 I CB 0.206 38.107 38.000 -0.165 0.000 1.380 6 I HN 0.497 nan 8.210 nan 0.000 0.580 7 H N 3.879 122.837 119.070 -0.188 0.000 3.081 7 H HA 0.519 5.077 4.556 0.003 0.000 0.322 7 H C -1.442 173.750 175.328 -0.226 0.000 1.266 7 H CA -0.694 55.283 56.048 -0.117 0.000 1.279 7 H CB 1.295 30.956 29.762 -0.168 0.000 1.954 7 H HN 0.731 nan 8.280 nan 0.000 0.530 8 H N 2.733 121.105 119.070 -1.163 0.000 3.060 8 H HA 0.568 5.126 4.556 0.003 0.000 0.330 8 H C -1.737 172.938 175.328 -1.087 0.000 1.305 8 H CA -0.688 54.631 56.048 -1.214 0.000 1.209 8 H CB 1.267 30.681 29.762 -0.579 0.000 1.913 8 H HN 0.715 nan 8.280 nan 0.000 0.534 9 R N 1.681 121.242 120.500 -1.565 0.000 2.707 9 R HA 0.358 4.700 4.340 0.003 0.000 0.272 9 R C -1.148 174.687 176.300 -0.774 0.000 1.011 9 R CA -0.442 55.181 56.100 -0.794 0.000 0.893 9 R CB 1.973 32.063 30.300 -0.350 0.000 1.233 9 R HN 0.792 nan 8.270 nan 0.000 0.464 10 S N 1.086 116.662 115.700 -0.208 0.000 2.681 10 S HA 0.380 4.852 4.470 0.003 0.000 0.313 10 S C -0.144 174.537 174.600 0.134 0.000 1.137 10 S CA -0.266 58.017 58.200 0.138 0.000 1.045 10 S CB 0.736 64.169 63.200 0.388 0.000 1.208 10 S HN 0.659 nan 8.310 nan 0.000 0.523 11 T N 1.623 116.285 114.554 0.179 0.000 2.752 11 T HA 0.247 4.598 4.350 0.003 0.000 0.309 11 T C -1.160 173.694 174.700 0.256 0.000 1.863 11 T CA -0.114 62.104 62.100 0.198 0.000 1.000 11 T CB 0.170 69.108 68.868 0.117 0.000 1.902 11 T HN 0.582 nan 8.240 nan 0.000 0.519 12 D N 1.167 121.699 120.400 0.219 0.000 3.292 12 D HA -0.225 4.417 4.640 0.003 0.000 0.175 12 D C 1.242 177.661 176.300 0.199 0.000 1.192 12 D CA 1.685 55.789 54.000 0.173 0.000 1.026 12 D CB -0.817 40.066 40.800 0.139 0.000 0.538 12 D HN 0.827 nan 8.370 nan 0.000 0.566 13 N N 0.877 119.617 118.700 0.067 0.000 2.519 13 N HA -0.145 4.597 4.740 0.003 0.000 0.186 13 N C 1.860 177.424 175.510 0.091 0.000 1.062 13 N CA 1.212 54.248 53.050 -0.022 0.000 0.910 13 N CB -0.428 37.903 38.487 -0.260 0.000 0.958 13 N HN 0.358 nan 8.380 nan 0.000 0.445 14 F N 0.940 121.031 119.950 0.235 0.000 2.387 14 F HA 0.360 4.889 4.527 0.003 0.000 0.294 14 F C 1.258 177.249 175.800 0.318 0.000 1.093 14 F CA 0.605 58.739 58.000 0.223 0.000 1.420 14 F CB 0.122 39.108 39.000 -0.024 0.000 1.086 14 F HN 0.107 nan 8.300 nan 0.000 0.531 15 A N -0.328 122.790 122.820 0.497 0.000 2.547 15 A HA 0.606 4.928 4.320 0.003 0.000 0.279 15 A C -1.731 176.152 177.584 0.500 0.000 1.088 15 A CA -0.434 51.858 52.037 0.426 0.000 0.796 15 A CB -0.188 19.132 19.000 0.533 0.000 1.308 15 A HN 0.260 nan 8.150 nan 0.000 0.415 16 Y N -0.589 119.878 120.300 0.279 0.000 2.581 16 Y HA 0.806 5.358 4.550 0.003 0.000 0.337 16 Y C -0.159 175.785 175.900 0.074 0.000 1.108 16 Y CA -1.082 57.187 58.100 0.281 0.000 1.033 16 Y CB 1.120 39.691 38.460 0.185 0.000 1.318 16 Y HN 0.964 nan 8.280 nan 0.000 0.459 17 A N 2.228 125.197 122.820 0.249 0.000 2.354 17 A HA 0.290 4.612 4.320 0.003 0.000 0.281 17 A C -0.239 177.469 177.584 0.207 0.000 1.174 17 A CA -0.373 51.702 52.037 0.064 0.000 0.828 17 A CB -0.309 18.785 19.000 0.157 0.000 1.099 17 A HN 0.951 nan 8.150 nan 0.000 0.516 18 Y N 2.575 122.822 120.300 -0.088 0.000 2.243 18 Y HA 0.042 4.593 4.550 0.003 0.000 0.293 18 Y C 0.732 176.627 175.900 -0.007 0.000 1.124 18 Y CA 2.022 60.058 58.100 -0.108 0.000 1.159 18 Y CB 0.238 38.413 38.460 -0.476 0.000 1.008 18 Y HN 0.852 nan 8.280 nan 0.000 0.527 19 D N -3.836 116.565 120.400 0.003 0.000 2.895 19 D HA 0.200 4.842 4.640 0.003 0.000 0.320 19 D C 0.955 177.267 176.300 0.021 0.000 1.249 19 D CA 0.052 54.029 54.000 -0.038 0.000 0.997 19 D CB 0.485 41.275 40.800 -0.017 0.000 1.430 19 D HN -0.194 nan 8.370 nan 0.000 0.558 20 S N -0.792 114.921 115.700 0.021 0.000 2.392 20 S HA -0.200 4.271 4.470 0.003 0.000 0.232 20 S C 0.999 175.611 174.600 0.020 0.000 1.041 20 S CA 1.928 60.148 58.200 0.034 0.000 1.026 20 S CB -0.601 62.617 63.200 0.030 0.000 0.845 20 S HN 0.720 nan 8.310 nan 0.000 0.465 21 E N -0.226 119.977 120.200 0.005 0.000 2.876 21 E HA 0.231 4.583 4.350 0.003 0.000 0.208 21 E C -0.772 175.804 176.600 -0.040 0.000 0.981 21 E CA -0.309 56.075 56.400 -0.027 0.000 1.174 21 E CB 0.561 30.244 29.700 -0.028 0.000 1.047 21 E HN 0.092 nan 8.360 nan 0.000 0.477 22 T N 1.168 115.713 114.554 -0.016 0.000 2.876 22 T HA 0.517 4.869 4.350 0.003 0.000 0.289 22 T C -0.612 174.044 174.700 -0.073 0.000 1.014 22 T CA -0.563 61.528 62.100 -0.015 0.000 0.986 22 T CB 1.896 70.829 68.868 0.109 0.000 1.021 22 T HN 0.111 nan 8.240 nan 0.000 0.458 23 L N 2.439 123.565 121.223 -0.162 0.000 2.362 23 L HA 0.559 4.901 4.340 0.003 0.000 0.271 23 L C -0.863 175.902 176.870 -0.175 0.000 1.002 23 L CA -0.995 53.654 54.840 -0.318 0.000 0.818 23 L CB 1.718 43.439 42.059 -0.565 0.000 1.298 23 L HN 0.639 nan 8.230 nan 0.000 0.420 24 H N 3.643 122.347 119.070 -0.611 0.000 2.505 24 H HA 0.550 5.107 4.556 0.003 0.000 0.338 24 H C -0.967 174.079 175.328 -0.471 0.000 1.057 24 H CA -0.450 55.233 56.048 -0.609 0.000 1.202 24 H CB 1.602 30.807 29.762 -0.929 0.000 1.466 24 H HN 0.121 nan 8.280 nan 0.000 0.499 25 L N 3.913 125.051 121.223 -0.142 0.000 2.349 25 L HA 0.476 4.817 4.340 0.003 0.000 0.278 25 L C 0.064 177.071 176.870 0.229 0.000 0.996 25 L CA -0.569 54.318 54.840 0.078 0.000 0.825 25 L CB 1.299 43.343 42.059 -0.025 0.000 1.243 25 L HN 0.498 nan 8.230 nan 0.000 0.412 26 R N 3.541 124.279 120.500 0.396 0.000 2.532 26 R HA 0.635 4.976 4.340 0.003 0.000 0.295 26 R C -0.858 175.762 176.300 0.533 0.000 0.968 26 R CA -0.786 55.568 56.100 0.423 0.000 0.916 26 R CB 2.927 33.431 30.300 0.340 0.000 1.124 26 R HN 0.496 nan 8.270 nan 0.000 0.463 27 L N 1.824 123.268 121.223 0.370 0.000 2.346 27 L HA 0.376 4.718 4.340 0.003 0.000 0.274 27 L C -0.560 176.530 176.870 0.367 0.000 1.007 27 L CA -0.590 54.321 54.840 0.117 0.000 0.818 27 L CB 2.214 44.093 42.059 -0.300 0.000 1.284 27 L HN 0.516 nan 8.230 nan 0.000 0.424 28 Q N 2.661 122.633 119.800 0.286 0.000 2.293 28 Q HA 0.554 4.896 4.340 0.003 0.000 0.261 28 Q C -1.145 174.903 176.000 0.081 0.000 0.960 28 Q CA -0.409 55.496 55.803 0.170 0.000 0.882 28 Q CB 2.034 30.895 28.738 0.205 0.000 1.275 28 Q HN 0.770 nan 8.270 nan 0.000 0.445 29 T N -0.151 114.480 114.554 0.127 0.000 2.821 29 T HA 0.384 4.735 4.350 0.003 0.000 0.306 29 T C -0.881 173.980 174.700 0.269 0.000 1.313 29 T CA -1.026 61.198 62.100 0.206 0.000 1.012 29 T CB 1.373 70.417 68.868 0.293 0.000 1.298 29 T HN 0.612 nan 8.240 nan 0.000 0.502 30 K N 1.031 121.549 120.400 0.197 0.000 2.380 30 K HA 0.167 4.489 4.320 0.003 0.000 0.267 30 K C 0.214 176.834 176.600 0.034 0.000 0.990 30 K CA -0.527 55.813 56.287 0.088 0.000 0.946 30 K CB 0.481 32.996 32.500 0.026 0.000 0.937 30 K HN 0.712 nan 8.250 nan 0.000 0.491 31 K N 3.332 123.686 120.400 -0.076 0.000 2.436 31 K HA -0.127 4.194 4.320 0.003 0.000 0.282 31 K C -0.516 176.069 176.600 -0.026 0.000 1.044 31 K CA 0.923 57.163 56.287 -0.079 0.000 1.028 31 K CB -0.200 32.221 32.500 -0.132 0.000 0.919 31 K HN 0.887 nan 8.250 nan 0.000 0.474 32 N N 2.373 121.079 118.700 0.009 0.000 2.815 32 N HA -0.272 4.470 4.740 0.003 0.000 0.247 32 N C -0.048 175.502 175.510 0.067 0.000 1.030 32 N CA 1.065 54.140 53.050 0.042 0.000 0.881 32 N CB -0.654 37.839 38.487 0.010 0.000 1.134 32 N HN 0.751 nan 8.380 nan 0.000 0.582 33 D N 0.195 120.640 120.400 0.075 0.000 2.317 33 D HA 0.079 4.721 4.640 0.003 0.000 0.211 33 D C -0.227 176.122 176.300 0.081 0.000 0.966 33 D CA 0.834 54.870 54.000 0.059 0.000 0.876 33 D CB 0.491 41.315 40.800 0.040 0.000 0.927 33 D HN 0.102 nan 8.370 nan 0.000 0.519 34 V N 1.200 121.206 119.914 0.154 0.000 2.531 34 V HA 0.166 4.287 4.120 0.003 0.000 0.301 34 V C 0.225 176.440 176.094 0.201 0.000 1.034 34 V CA -0.772 61.604 62.300 0.127 0.000 0.865 34 V CB 2.003 33.840 31.823 0.024 0.000 0.995 34 V HN -0.070 nan 8.190 nan 0.000 0.424 35 D N 1.711 122.210 120.400 0.164 0.000 2.084 35 D HA 0.002 4.643 4.640 0.003 0.000 0.196 35 D C 0.383 176.872 176.300 0.315 0.000 0.985 35 D CA 1.786 55.943 54.000 0.262 0.000 0.826 35 D CB 0.215 41.178 40.800 0.272 0.000 0.978 35 D HN 0.655 nan 8.370 nan 0.000 0.456 36 H N -2.231 116.852 119.070 0.022 0.000 2.949 36 H HA 0.629 5.187 4.556 0.003 0.000 0.356 36 H C -1.229 173.950 175.328 -0.247 0.000 1.212 36 H CA -0.860 55.170 56.048 -0.031 0.000 1.136 36 H CB 2.625 32.392 29.762 0.009 0.000 1.869 36 H HN -0.226 nan 8.280 nan 0.000 0.556 37 V N 1.320 121.092 119.914 -0.236 0.000 2.737 37 V HA 0.288 4.410 4.120 0.003 0.000 0.298 37 V C -1.417 174.605 176.094 -0.120 0.000 1.163 37 V CA -0.390 61.704 62.300 -0.343 0.000 0.925 37 V CB 1.677 32.946 31.823 -0.922 0.000 1.037 37 V HN 0.824 nan 8.190 nan 0.000 0.433 38 E N 5.738 125.952 120.200 0.023 0.000 2.179 38 E HA 0.448 4.799 4.350 0.003 0.000 0.275 38 E C -0.845 175.842 176.600 0.145 0.000 0.945 38 E CA -0.770 55.686 56.400 0.093 0.000 0.792 38 E CB 2.404 32.165 29.700 0.100 0.000 1.125 38 E HN 0.527 nan 8.360 nan 0.000 0.397 39 L N 5.145 126.457 121.223 0.148 0.000 2.325 39 L HA 0.267 4.609 4.340 0.003 0.000 0.284 39 L C -0.876 176.107 176.870 0.188 0.000 1.089 39 L CA -0.116 54.792 54.840 0.114 0.000 0.836 39 L CB 0.284 42.368 42.059 0.040 0.000 1.184 39 L HN 0.614 nan 8.230 nan 0.000 0.444 40 L N 7.625 128.893 121.223 0.075 0.000 2.270 40 L HA 0.351 4.693 4.340 0.003 0.000 0.286 40 L C -0.643 176.247 176.870 0.032 0.000 1.059 40 L CA -0.506 54.338 54.840 0.006 0.000 0.839 40 L CB 0.291 42.230 42.059 -0.200 0.000 1.221 40 L HN 0.609 nan 8.230 nan 0.000 0.431 41 F N 3.357 123.257 119.950 -0.083 0.000 2.835 41 F HA 1.054 5.583 4.527 0.003 0.000 0.373 41 F C 0.126 175.910 175.800 -0.025 0.000 1.209 41 F CA -0.681 57.309 58.000 -0.016 0.000 1.082 41 F CB 0.861 39.850 39.000 -0.017 0.000 1.472 41 F HN 0.507 nan 8.300 nan 0.000 0.519 42 G N 0.099 109.001 108.800 0.169 0.000 2.350 42 G HA2 0.278 4.239 3.960 0.003 0.000 0.304 42 G HA3 0.278 4.239 3.960 0.003 0.000 0.304 42 G C -2.429 172.676 174.900 0.342 0.000 1.421 42 G CA -0.917 44.181 45.100 -0.003 0.000 0.934 42 G HN 0.959 nan 8.290 nan 0.000 0.632 43 D N 0.286 120.843 120.400 0.262 0.000 2.372 43 D HA 0.518 5.160 4.640 0.003 0.000 0.243 43 D C -1.007 175.544 176.300 0.418 0.000 1.121 43 D CA -1.352 52.843 54.000 0.326 0.000 0.898 43 D CB 1.778 42.747 40.800 0.282 0.000 1.202 43 D HN 0.028 nan 8.370 nan 0.000 0.428 44 P HA -0.096 nan 4.420 nan 0.000 0.217 44 P C -0.010 177.236 177.300 -0.090 0.000 1.150 44 P CA 1.220 64.258 63.100 -0.104 0.000 0.832 44 P CB 0.083 31.521 31.700 -0.436 0.000 0.787 45 Y N -1.613 118.892 120.300 0.342 0.000 2.468 45 Y HA 0.246 4.798 4.550 0.003 0.000 0.268 45 Y C 0.773 176.927 175.900 0.424 0.000 1.177 45 Y CA -0.515 57.816 58.100 0.385 0.000 1.265 45 Y CB -0.526 38.050 38.460 0.192 0.000 1.103 45 Y HN -0.138 nan 8.280 nan 0.000 0.522 46 E N 1.143 121.610 120.200 0.445 0.000 2.220 46 E HA 0.014 4.366 4.350 0.003 0.000 0.272 46 E C -0.903 175.867 176.600 0.283 0.000 1.099 46 E CA 0.140 56.692 56.400 0.253 0.000 0.907 46 E CB 0.107 29.847 29.700 0.067 0.000 1.022 46 E HN 0.247 nan 8.360 nan 0.000 0.428 47 W N 3.648 125.027 121.300 0.132 0.000 3.032 47 W HA 0.475 5.136 4.660 0.003 0.000 0.341 47 W C -0.852 175.757 176.519 0.150 0.000 1.202 47 W CA -0.471 56.971 57.345 0.161 0.000 1.132 47 W CB 1.772 31.341 29.460 0.182 0.000 1.465 47 W HN 0.551 nan 8.180 nan 0.000 0.576 48 H N 1.336 120.606 119.070 0.333 0.000 3.069 48 H HA 0.063 4.621 4.556 0.003 0.000 0.294 48 H C -0.925 174.513 175.328 0.183 0.000 1.144 48 H CA 0.069 56.229 56.048 0.188 0.000 1.579 48 H CB 0.864 30.653 29.762 0.046 0.000 2.174 48 H HN 0.520 nan 8.280 nan 0.000 0.456 49 D N 2.997 123.554 120.400 0.263 0.000 3.068 49 D HA -0.162 4.480 4.640 0.003 0.000 0.218 49 D C 1.211 177.636 176.300 0.208 0.000 1.145 49 D CA 1.975 56.037 54.000 0.103 0.000 0.896 49 D CB -1.125 39.630 40.800 -0.074 0.000 1.105 49 D HN 1.059 nan 8.370 nan 0.000 0.423 50 G N -1.300 107.716 108.800 0.360 0.000 2.189 50 G HA2 -0.111 3.851 3.960 0.003 0.000 0.267 50 G HA3 -0.111 3.851 3.960 0.003 0.000 0.267 50 G C 0.371 175.666 174.900 0.659 0.000 0.975 50 G CA 0.520 45.854 45.100 0.391 0.000 0.644 50 G HN 1.283 nan 8.290 nan 0.000 0.537 51 A N -0.610 122.510 122.820 0.501 0.000 2.304 51 A HA 0.571 4.893 4.320 0.003 0.000 0.323 51 A C -0.188 177.266 177.584 -0.216 0.000 1.195 51 A CA -0.363 51.832 52.037 0.262 0.000 0.826 51 A CB 0.607 19.662 19.000 0.093 0.000 1.184 51 A HN 1.194 nan 8.150 nan 0.000 0.496 52 W N 3.389 124.271 121.300 -0.696 0.000 2.489 52 W HA 0.205 4.867 4.660 0.003 0.000 0.327 52 W C -0.236 175.926 176.519 -0.595 0.000 1.436 52 W CA 0.020 56.575 57.345 -1.317 0.000 1.315 52 W CB 0.560 29.430 29.460 -0.984 0.000 1.373 52 W HN 0.577 nan 8.180 nan 0.000 0.557 53 Q N 8.044 127.278 119.800 -0.943 0.000 2.402 53 Q HA 0.128 4.470 4.340 0.003 0.000 0.238 53 Q C -0.692 174.588 176.000 -1.201 0.000 1.126 53 Q CA -0.126 55.169 55.803 -0.846 0.000 0.904 53 Q CB -0.391 28.072 28.738 -0.459 0.000 1.357 53 Q HN 0.467 nan 8.270 nan 0.000 0.491 54 F N 0.249 119.418 119.950 -1.302 0.000 2.556 54 F HA 0.641 5.170 4.527 0.003 0.000 0.327 54 F C -0.139 175.159 175.800 -0.838 0.000 1.059 54 F CA -1.159 56.014 58.000 -1.379 0.000 0.953 54 F CB 1.158 39.017 39.000 -1.902 0.000 1.227 54 F HN 0.267 nan 8.300 nan 0.000 0.478 55 Q N 1.075 120.492 119.800 -0.639 0.000 2.572 55 Q HA 0.661 5.002 4.340 0.003 0.000 0.284 55 Q C -1.692 174.077 176.000 -0.383 0.000 1.091 55 Q CA -0.785 54.681 55.803 -0.561 0.000 0.840 55 Q CB 1.862 30.237 28.738 -0.605 0.000 1.433 55 Q HN 0.914 nan 8.270 nan 0.000 0.471 56 T N 0.203 114.653 114.554 -0.174 0.000 2.912 56 T HA 0.665 5.017 4.350 0.003 0.000 0.299 56 T C -0.958 173.859 174.700 0.195 0.000 1.052 56 T CA -0.713 61.434 62.100 0.079 0.000 0.996 56 T CB 1.163 70.095 68.868 0.107 0.000 1.070 56 T HN 0.685 nan 8.240 nan 0.000 0.465 57 M N 4.281 124.065 119.600 0.308 0.000 2.531 57 M HA 0.787 5.269 4.480 0.003 0.000 0.286 57 M C -3.104 173.280 176.300 0.141 0.000 1.232 57 M CA -2.047 53.379 55.300 0.210 0.000 0.877 57 M CB 2.956 35.686 32.600 0.215 0.000 1.726 57 M HN 0.292 nan 8.290 nan 0.000 0.463 58 P HA 0.421 nan 4.420 nan 0.000 0.292 58 P C -1.385 175.972 177.300 0.094 0.000 1.283 58 P CA -0.436 62.726 63.100 0.103 0.000 0.835 58 P CB 1.466 33.237 31.700 0.118 0.000 1.017 59 M N 2.695 122.363 119.600 0.113 0.000 2.314 59 M HA 0.416 4.897 4.480 0.003 0.000 0.342 59 M C 1.004 177.496 176.300 0.321 0.000 1.171 59 M CA -0.555 54.855 55.300 0.183 0.000 1.098 59 M CB 1.269 34.007 32.600 0.229 0.000 1.559 59 M HN 0.285 nan 8.290 nan 0.000 0.459 60 R N 1.082 121.754 120.500 0.287 0.000 2.474 60 R HA 0.478 4.820 4.340 0.003 0.000 0.295 60 R C -0.897 175.486 176.300 0.140 0.000 0.980 60 R CA -0.972 55.262 56.100 0.223 0.000 0.934 60 R CB 1.213 31.555 30.300 0.070 0.000 1.101 60 R HN 0.489 nan 8.270 nan 0.000 0.469 61 K N 1.834 122.155 120.400 -0.130 0.000 2.382 61 K HA 0.002 4.324 4.320 0.003 0.000 0.286 61 K C 0.398 176.843 176.600 -0.258 0.000 1.062 61 K CA 0.255 56.160 56.287 -0.637 0.000 1.000 61 K CB 0.670 32.823 32.500 -0.579 0.000 0.954 61 K HN 0.816 nan 8.250 nan 0.000 0.470 62 T N 1.076 115.542 114.554 -0.146 0.000 3.188 62 T HA 0.365 4.717 4.350 0.003 0.000 0.250 62 T C 0.729 175.495 174.700 0.110 0.000 1.077 62 T CA -0.066 62.051 62.100 0.027 0.000 0.967 62 T CB -0.087 68.852 68.868 0.117 0.000 1.006 62 T HN 0.695 nan 8.240 nan 0.000 0.552 63 G N 0.543 109.331 108.800 -0.019 0.000 2.343 63 G HA2 0.378 4.340 3.960 0.003 0.000 0.465 63 G HA3 0.378 4.340 3.960 0.003 0.000 0.465 63 G C -0.886 173.982 174.900 -0.054 0.000 1.282 63 G CA -0.407 44.707 45.100 0.023 0.000 0.996 63 G HN 1.412 nan 8.290 nan 0.000 0.521 64 S N -0.746 114.957 115.700 0.005 0.000 2.552 64 S HA 0.722 5.194 4.470 0.003 0.000 0.272 64 S C -0.576 174.068 174.600 0.073 0.000 1.150 64 S CA 0.383 58.602 58.200 0.032 0.000 0.849 64 S CB 2.167 65.310 63.200 -0.094 0.000 1.113 64 S HN 1.615 nan 8.310 nan 0.000 0.458 65 D N 1.396 121.886 120.400 0.152 0.000 2.440 65 D HA 0.539 5.180 4.640 0.003 0.000 0.282 65 D C 1.679 177.968 176.300 -0.019 0.000 1.189 65 D CA 0.179 54.238 54.000 0.099 0.000 1.105 65 D CB -0.774 40.164 40.800 0.230 0.000 1.173 65 D HN 0.705 nan 8.370 nan 0.000 0.577 66 G N -0.938 107.821 108.800 -0.069 0.000 2.394 66 G HA2 -0.072 3.890 3.960 0.003 0.000 0.214 66 G HA3 -0.072 3.890 3.960 0.003 0.000 0.214 66 G C 1.560 176.323 174.900 -0.229 0.000 1.176 66 G CA 0.684 45.702 45.100 -0.136 0.000 0.786 66 G HN 0.320 nan 8.290 nan 0.000 0.533 67 L N -1.204 119.788 121.223 -0.386 0.000 2.463 67 L HA 0.426 4.768 4.340 0.003 0.000 0.219 67 L C -0.128 176.141 176.870 -1.002 0.000 1.088 67 L CA 0.025 54.405 54.840 -0.766 0.000 0.849 67 L CB 0.137 41.503 42.059 -1.155 0.000 1.012 67 L HN 0.050 nan 8.230 nan 0.000 0.468 68 F N -1.829 118.022 119.950 -0.164 0.000 2.603 68 F HA 0.476 5.005 4.527 0.003 0.000 0.317 68 F C -0.093 175.428 175.800 -0.465 0.000 1.066 68 F CA -1.344 56.461 58.000 -0.325 0.000 0.941 68 F CB 0.992 39.682 39.000 -0.517 0.000 1.291 68 F HN -0.285 nan 8.300 nan 0.000 0.472 69 D N -0.272 119.961 120.400 -0.278 0.000 2.385 69 D HA 0.392 5.033 4.640 0.003 0.000 0.254 69 D C -1.406 174.496 176.300 -0.663 0.000 1.053 69 D CA -0.078 53.662 54.000 -0.433 0.000 0.992 69 D CB 1.753 42.250 40.800 -0.505 0.000 1.145 69 D HN 0.362 nan 8.370 nan 0.000 0.523 70 Y N -0.520 119.501 120.300 -0.466 0.000 2.457 70 Y HA 0.303 4.854 4.550 0.003 0.000 0.343 70 Y C -0.413 175.313 175.900 -0.290 0.000 0.994 70 Y CA -0.921 57.030 58.100 -0.249 0.000 1.031 70 Y CB 1.909 40.133 38.460 -0.393 0.000 1.246 70 Y HN 0.202 nan 8.280 nan 0.000 0.449 71 W N 4.363 125.791 121.300 0.212 0.000 2.689 71 W HA 0.640 5.301 4.660 0.003 0.000 0.340 71 W C -1.345 175.255 176.519 0.134 0.000 1.060 71 W CA -0.917 56.508 57.345 0.133 0.000 1.218 71 W CB 2.376 31.879 29.460 0.071 0.000 1.410 71 W HN 0.377 nan 8.180 nan 0.000 0.528 72 L N 2.599 123.993 121.223 0.285 0.000 2.385 72 L HA 0.781 5.123 4.340 0.003 0.000 0.273 72 L C -0.932 175.954 176.870 0.027 0.000 0.990 72 L CA -0.321 54.583 54.840 0.107 0.000 0.821 72 L CB 1.607 43.645 42.059 -0.035 0.000 1.279 72 L HN 0.355 nan 8.230 nan 0.000 0.412 73 A N 4.088 126.880 122.820 -0.047 0.000 2.311 73 A HA 0.651 4.973 4.320 0.003 0.000 0.306 73 A C -0.742 176.669 177.584 -0.288 0.000 1.189 73 A CA -0.495 51.467 52.037 -0.126 0.000 0.791 73 A CB 0.499 19.452 19.000 -0.079 0.000 1.172 73 A HN 0.741 nan 8.150 nan 0.000 0.481 74 E N 1.647 121.656 120.200 -0.318 0.000 2.046 74 E HA 0.389 4.741 4.350 0.003 0.000 0.279 74 E C -1.136 175.289 176.600 -0.291 0.000 0.989 74 E CA -0.235 55.955 56.400 -0.349 0.000 0.798 74 E CB 1.835 31.331 29.700 -0.339 0.000 1.086 74 E HN 0.372 nan 8.360 nan 0.000 0.399 75 V N 3.972 123.693 119.914 -0.322 0.000 2.604 75 V HA 0.269 4.391 4.120 0.003 0.000 0.305 75 V C -0.924 175.008 176.094 -0.270 0.000 1.043 75 V CA -0.806 61.263 62.300 -0.385 0.000 0.888 75 V CB 1.709 33.157 31.823 -0.626 0.000 0.995 75 V HN 0.496 nan 8.190 nan 0.000 0.429 76 K N 7.389 127.664 120.400 -0.209 0.000 2.290 76 K HA 0.391 4.713 4.320 0.003 0.000 0.250 76 K C -2.581 173.954 176.600 -0.109 0.000 1.092 76 K CA -1.584 54.622 56.287 -0.134 0.000 1.006 76 K CB 1.058 33.505 32.500 -0.088 0.000 1.549 76 K HN 0.527 nan 8.250 nan 0.000 0.436 77 P HA 0.164 nan 4.420 nan 0.000 0.276 77 P C -2.479 174.785 177.300 -0.061 0.000 1.253 77 P CA -1.190 61.883 63.100 -0.044 0.000 0.766 77 P CB 0.428 32.089 31.700 -0.064 0.000 0.845 78 P HA 0.048 nan 4.420 nan 0.000 0.277 78 P C -0.341 176.873 177.300 -0.143 0.000 1.240 78 P CA -0.148 62.802 63.100 -0.249 0.000 0.798 78 P CB 0.342 31.846 31.700 -0.327 0.000 0.979 79 Y N 0.028 120.316 120.300 -0.021 0.000 4.916 79 Y HA -0.328 4.224 4.550 0.003 0.000 0.247 79 Y C 1.416 177.201 175.900 -0.191 0.000 0.962 79 Y CA 1.230 59.317 58.100 -0.021 0.000 1.933 79 Y CB -2.836 35.663 38.460 0.064 0.000 1.451 79 Y HN 0.486 nan 8.280 nan 0.000 0.539 80 R N -1.483 118.909 120.500 -0.181 0.000 4.010 80 R HA -0.250 4.092 4.340 0.003 0.000 0.409 80 R C 0.254 176.365 176.300 -0.314 0.000 1.120 80 R CA 1.864 57.727 56.100 -0.395 0.000 1.244 80 R CB -1.328 28.437 30.300 -0.893 0.000 1.799 80 R HN 0.646 nan 8.270 nan 0.000 0.559 81 R N 0.824 121.284 120.500 -0.068 0.000 2.674 81 R HA 0.772 5.114 4.340 0.003 0.000 0.266 81 R C -0.537 175.874 176.300 0.185 0.000 1.016 81 R CA -0.936 55.230 56.100 0.110 0.000 1.062 81 R CB 1.257 31.711 30.300 0.257 0.000 1.142 81 R HN 0.036 nan 8.270 nan 0.000 0.517 82 L N 0.031 121.399 121.223 0.242 0.000 2.592 82 L HA 0.423 4.765 4.340 0.003 0.000 0.258 82 L C -1.376 175.706 176.870 0.353 0.000 0.926 82 L CA -0.343 54.664 54.840 0.279 0.000 0.885 82 L CB 2.140 44.315 42.059 0.194 0.000 1.380 82 L HN 0.581 nan 8.230 nan 0.000 0.415 83 R N 3.157 123.856 120.500 0.331 0.000 2.599 83 R HA 0.717 5.059 4.340 0.003 0.000 0.295 83 R C -1.737 174.748 176.300 0.310 0.000 0.963 83 R CA -0.561 55.658 56.100 0.198 0.000 0.883 83 R CB 1.959 32.158 30.300 -0.168 0.000 1.171 83 R HN 0.667 nan 8.270 nan 0.000 0.450 84 Y N -1.851 118.465 120.300 0.027 0.000 2.638 84 Y HA 0.795 5.347 4.550 0.003 0.000 0.335 84 Y C -0.650 175.206 175.900 -0.074 0.000 1.155 84 Y CA -1.389 56.668 58.100 -0.071 0.000 1.046 84 Y CB 1.350 39.773 38.460 -0.061 0.000 1.303 84 Y HN 0.644 nan 8.280 nan 0.000 0.460 85 G N 0.606 109.294 108.800 -0.186 0.000 2.690 85 G HA2 0.648 4.609 3.960 0.003 0.000 0.291 85 G HA3 0.648 4.609 3.960 0.003 0.000 0.291 85 G C -2.363 172.389 174.900 -0.247 0.000 1.403 85 G CA -1.070 43.970 45.100 -0.100 0.000 0.864 85 G HN 0.497 nan 8.290 nan 0.000 0.480 86 F N -0.359 119.727 119.950 0.227 0.000 2.458 86 F HA 0.623 5.152 4.527 0.003 0.000 0.330 86 F C 0.190 176.087 175.800 0.161 0.000 1.082 86 F CA -0.918 57.196 58.000 0.189 0.000 0.995 86 F CB 2.683 41.826 39.000 0.238 0.000 1.170 86 F HN 0.171 nan 8.300 nan 0.000 0.478 87 V N 4.388 124.467 119.914 0.275 0.000 2.357 87 V HA 0.325 4.447 4.120 0.003 0.000 0.281 87 V C -0.622 175.530 176.094 0.097 0.000 1.015 87 V CA -0.654 61.748 62.300 0.169 0.000 0.827 87 V CB 1.118 33.010 31.823 0.116 0.000 1.018 87 V HN 0.569 nan 8.190 nan 0.000 0.432 88 L N 3.345 124.613 121.223 0.075 0.000 2.272 88 L HA 0.764 5.105 4.340 0.003 0.000 0.289 88 L C 0.170 177.034 176.870 -0.011 0.000 1.032 88 L CA -0.645 54.175 54.840 -0.033 0.000 0.810 88 L CB 0.935 42.934 42.059 -0.101 0.000 1.205 88 L HN 0.392 nan 8.230 nan 0.000 0.422 89 R N 2.461 122.958 120.500 -0.006 0.000 2.549 89 R HA 0.933 5.275 4.340 0.003 0.000 0.259 89 R C -0.073 176.239 176.300 0.020 0.000 1.095 89 R CA -0.057 56.052 56.100 0.016 0.000 1.148 89 R CB 1.463 31.779 30.300 0.027 0.000 1.181 89 R HN 0.920 nan 8.270 nan 0.000 0.571 90 A N -0.403 122.431 122.820 0.024 0.000 5.450 90 A HA 0.433 4.755 4.320 0.003 0.000 0.198 90 A C 0.180 177.780 177.584 0.028 0.000 0.883 90 A CA -0.144 51.912 52.037 0.032 0.000 0.784 90 A CB -0.228 18.779 19.000 0.012 0.000 2.043 90 A HN 0.682 nan 8.150 nan 0.000 0.994 91 G N -0.443 108.370 108.800 0.022 0.000 3.352 91 G HA2 0.491 4.452 3.960 0.003 0.000 0.236 91 G HA3 0.491 4.452 3.960 0.003 0.000 0.236 91 G C 1.164 176.072 174.900 0.013 0.000 1.324 91 G CA 1.360 46.471 45.100 0.018 0.000 1.404 91 G HN 2.337 nan 8.290 nan 0.000 0.542 92 G N -0.655 108.153 108.800 0.013 0.000 2.238 92 G HA2 -0.228 3.733 3.960 0.003 0.000 0.217 92 G HA3 -0.228 3.733 3.960 0.003 0.000 0.217 92 G C 0.254 175.168 174.900 0.024 0.000 0.996 92 G CA 0.084 45.193 45.100 0.014 0.000 0.632 92 G HN 0.628 nan 8.290 nan 0.000 0.503 93 E N 1.060 121.273 120.200 0.021 0.000 2.316 93 E HA 0.465 4.817 4.350 0.003 0.000 0.275 93 E C -0.364 176.248 176.600 0.020 0.000 1.029 93 E CA -0.288 56.128 56.400 0.026 0.000 0.871 93 E CB 0.432 30.134 29.700 0.003 0.000 1.022 93 E HN 0.075 nan 8.360 nan 0.000 0.418 94 K N 5.743 126.164 120.400 0.036 0.000 2.616 94 K HA 0.241 4.563 4.320 0.003 0.000 0.241 94 K C -1.648 174.960 176.600 0.013 0.000 0.961 94 K CA -0.770 55.536 56.287 0.033 0.000 0.942 94 K CB 0.638 33.170 32.500 0.053 0.000 1.153 94 K HN 0.414 nan 8.250 nan 0.000 0.452 95 L N 3.179 124.400 121.223 -0.003 0.000 2.334 95 L HA 0.491 4.833 4.340 0.003 0.000 0.275 95 L C -0.660 176.298 176.870 0.146 0.000 1.036 95 L CA -0.760 54.084 54.840 0.008 0.000 0.807 95 L CB 1.994 44.038 42.059 -0.025 0.000 1.231 95 L HN 0.243 nan 8.230 nan 0.000 0.438 96 V N 3.798 123.842 119.914 0.217 0.000 2.350 96 V HA 0.248 4.370 4.120 0.003 0.000 0.285 96 V C -1.131 175.180 176.094 0.361 0.000 1.014 96 V CA -0.695 61.754 62.300 0.248 0.000 0.831 96 V CB 1.135 33.046 31.823 0.147 0.000 1.000 96 V HN 0.520 nan 8.190 nan 0.000 0.433 97 Y N 5.418 125.848 120.300 0.217 0.000 2.350 97 Y HA 0.632 5.183 4.550 0.003 0.000 0.340 97 Y C 0.564 176.507 175.900 0.072 0.000 1.006 97 Y CA -0.622 57.534 58.100 0.093 0.000 1.166 97 Y CB 1.155 39.746 38.460 0.219 0.000 1.168 97 Y HN 0.765 nan 8.280 nan 0.000 0.502 98 T N 0.960 115.221 114.554 -0.488 0.000 2.901 98 T HA 0.265 4.616 4.350 0.003 0.000 0.293 98 T C 0.750 174.685 174.700 -1.275 0.000 1.084 98 T CA -0.752 60.853 62.100 -0.824 0.000 1.008 98 T CB 1.670 70.110 68.868 -0.713 0.000 1.170 98 T HN 0.700 nan 8.240 nan 0.000 0.509 99 E N 0.326 119.408 120.200 -1.863 0.000 2.118 99 E HA -0.214 4.137 4.350 0.003 0.000 0.195 99 E C 1.702 177.940 176.600 -0.604 0.000 0.992 99 E CA 1.225 56.786 56.400 -1.397 0.000 0.804 99 E CB -0.021 29.021 29.700 -1.097 0.000 0.741 99 E HN 0.589 nan 8.360 nan 0.000 0.458 100 K N -0.327 119.789 120.400 -0.473 0.000 2.365 100 K HA 0.041 4.363 4.320 0.003 0.000 0.199 100 K C 0.235 176.823 176.600 -0.020 0.000 1.045 100 K CA 0.868 57.054 56.287 -0.168 0.000 0.962 100 K CB 0.477 32.961 32.500 -0.028 0.000 0.759 100 K HN 0.303 nan 8.250 nan 0.000 0.469 101 G N -1.700 107.043 108.800 -0.096 0.000 2.320 101 G HA2 0.068 4.029 3.960 0.003 0.000 0.274 101 G HA3 0.068 4.029 3.960 0.003 0.000 0.274 101 G C -1.636 173.263 174.900 -0.002 0.000 1.324 101 G CA -0.992 44.089 45.100 -0.032 0.000 0.957 101 G HN -0.034 nan 8.290 nan 0.000 0.481 102 F N 0.575 120.609 119.950 0.139 0.000 2.420 102 F HA 0.815 5.344 4.527 0.003 0.000 0.342 102 F C -0.224 175.551 175.800 -0.043 0.000 1.113 102 F CA -0.301 57.788 58.000 0.148 0.000 1.059 102 F CB 1.713 40.741 39.000 0.047 0.000 1.128 102 F HN 0.394 nan 8.300 nan 0.000 0.475 103 Y N 0.461 120.840 120.300 0.132 0.000 2.524 103 Y HA 0.285 4.837 4.550 0.003 0.000 0.347 103 Y C 0.400 176.299 175.900 -0.003 0.000 1.005 103 Y CA -1.209 56.915 58.100 0.039 0.000 1.025 103 Y CB 1.224 39.645 38.460 -0.066 0.000 1.275 103 Y HN 0.515 nan 8.280 nan 0.000 0.460 104 H N -0.449 118.720 119.070 0.166 0.000 2.551 104 H HA 0.160 4.717 4.556 0.003 0.000 0.266 104 H C -0.192 175.200 175.328 0.106 0.000 0.977 104 H CA 0.725 56.839 56.048 0.109 0.000 1.163 104 H CB 0.508 30.304 29.762 0.057 0.000 1.381 104 H HN 0.347 nan 8.280 nan 0.000 0.581 105 E N 0.171 120.499 120.200 0.214 0.000 2.311 105 E HA 0.442 4.793 4.350 0.003 0.000 0.281 105 E C -1.035 175.604 176.600 0.065 0.000 0.905 105 E CA -0.797 55.684 56.400 0.135 0.000 0.778 105 E CB 0.858 30.630 29.700 0.120 0.000 1.240 105 E HN 0.154 nan 8.360 nan 0.000 0.410 106 A N 5.811 128.660 122.820 0.048 0.000 2.550 106 A HA 0.290 4.612 4.320 0.003 0.000 0.263 106 A C -2.049 175.520 177.584 -0.026 0.000 1.065 106 A CA -0.362 51.666 52.037 -0.015 0.000 0.786 106 A CB -0.685 18.313 19.000 -0.003 0.000 0.985 106 A HN 0.401 nan 8.150 nan 0.000 0.518 107 P HA 0.199 nan 4.420 nan 0.000 0.272 107 P C 0.586 177.946 177.300 0.100 0.000 1.223 107 P CA 0.031 62.976 63.100 -0.259 0.000 0.784 107 P CB 1.159 32.307 31.700 -0.919 0.000 0.923 108 S N 0.388 116.201 115.700 0.189 0.000 2.893 108 S HA 0.025 4.496 4.470 0.003 0.000 0.258 108 S C 0.852 175.659 174.600 0.346 0.000 1.034 108 S CA -0.175 58.234 58.200 0.349 0.000 1.167 108 S CB -0.330 63.055 63.200 0.308 0.000 1.137 108 S HN 0.515 nan 8.310 nan 0.000 0.650 109 D N 1.144 121.730 120.400 0.310 0.000 2.323 109 D HA 0.129 4.770 4.640 0.003 0.000 0.209 109 D C 0.261 176.802 176.300 0.401 0.000 0.973 109 D CA 0.476 54.677 54.000 0.334 0.000 0.874 109 D CB -0.020 40.928 40.800 0.247 0.000 0.930 109 D HN 0.463 nan 8.370 nan 0.000 0.521 110 D N -1.581 119.050 120.400 0.385 0.000 2.625 110 D HA 0.002 4.644 4.640 0.003 0.000 0.203 110 D C 0.793 177.132 176.300 0.066 0.000 1.230 110 D CA 0.114 54.280 54.000 0.277 0.000 0.784 110 D CB 0.826 41.667 40.800 0.069 0.000 1.936 110 D HN -0.167 nan 8.370 nan 0.000 0.522 111 T N 0.956 115.472 114.554 -0.064 0.000 2.946 111 T HA -0.070 4.281 4.350 0.003 0.000 0.271 111 T C 2.081 176.600 174.700 -0.303 0.000 1.104 111 T CA 1.151 63.035 62.100 -0.359 0.000 1.114 111 T CB -0.355 68.127 68.868 -0.643 0.000 0.867 111 T HN 0.552 nan 8.240 nan 0.000 0.513 112 A N 1.067 123.682 122.820 -0.341 0.000 2.009 112 A HA -0.181 4.141 4.320 0.003 0.000 0.222 112 A C 2.013 179.285 177.584 -0.520 0.000 1.175 112 A CA 1.844 53.626 52.037 -0.424 0.000 0.651 112 A CB -1.284 17.424 19.000 -0.486 0.000 0.815 112 A HN 0.669 nan 8.150 nan 0.000 0.459 113 Y N -1.851 118.160 120.300 -0.483 0.000 2.274 113 Y HA -0.062 4.490 4.550 0.003 0.000 0.290 113 Y C 0.948 176.345 175.900 -0.837 0.000 1.145 113 Y CA 0.583 58.260 58.100 -0.705 0.000 1.203 113 Y CB -0.720 37.133 38.460 -1.011 0.000 0.984 113 Y HN 0.365 nan 8.280 nan 0.000 0.533 114 Y N -1.134 118.919 120.300 -0.411 0.000 2.298 114 Y HA 0.246 4.798 4.550 0.003 0.000 0.329 114 Y C 0.207 175.742 175.900 -0.607 0.000 1.293 114 Y CA -1.694 56.073 58.100 -0.554 0.000 1.388 114 Y CB -0.014 38.163 38.460 -0.471 0.000 1.309 114 Y HN -0.250 nan 8.280 nan 0.000 0.544 115 F N 0.008 119.712 119.950 -0.411 0.000 2.440 115 F HA 0.341 4.869 4.527 0.003 0.000 0.323 115 F C 0.354 175.914 175.800 -0.401 0.000 1.192 115 F CA -0.490 57.182 58.000 -0.547 0.000 1.252 115 F CB 0.527 38.902 39.000 -1.042 0.000 1.214 115 F HN 0.330 nan 8.300 nan 0.000 0.578 116 C N 3.568 122.979 119.300 0.184 0.000 2.642 116 C HA 0.527 4.989 4.460 0.003 0.000 0.344 116 C C -1.263 174.002 174.990 0.458 0.000 1.110 116 C CA -0.973 58.243 59.018 0.331 0.000 1.298 116 C CB -0.302 27.519 27.740 0.134 0.000 1.827 116 C HN 0.627 nan 8.230 nan 0.000 0.467 117 F N 8.549 128.740 119.950 0.401 0.000 2.359 117 F HA 0.464 4.992 4.527 0.003 0.000 0.370 117 F C -1.674 174.249 175.800 0.204 0.000 1.077 117 F CA -2.199 55.961 58.000 0.267 0.000 1.136 117 F CB 0.963 40.065 39.000 0.170 0.000 1.387 117 F HN 0.468 nan 8.300 nan 0.000 0.468 118 P HA -0.249 nan 4.420 nan 0.000 0.208 118 P C -0.377 177.153 177.300 0.382 0.000 0.999 118 P CA 1.810 65.065 63.100 0.258 0.000 0.988 118 P CB 0.146 31.947 31.700 0.169 0.000 0.745 119 F N -2.525 117.554 119.950 0.215 0.000 2.588 119 F HA 0.502 5.031 4.527 0.003 0.000 0.314 119 F C -0.530 175.427 175.800 0.262 0.000 1.069 119 F CA -0.964 57.126 58.000 0.151 0.000 0.931 119 F CB 1.498 40.442 39.000 -0.094 0.000 1.260 119 F HN -0.279 nan 8.300 nan 0.000 0.465 120 L N 5.733 127.007 121.223 0.084 0.000 2.556 120 L HA 0.309 4.650 4.340 0.003 0.000 0.245 120 L C -0.404 176.631 176.870 0.274 0.000 1.174 120 L CA -0.329 54.665 54.840 0.256 0.000 1.117 120 L CB -0.830 41.234 42.059 0.009 0.000 1.409 120 L HN 0.513 nan 8.230 nan 0.000 0.411 121 H N 1.790 121.135 119.070 0.460 0.000 2.897 121 H HA -0.008 4.550 4.556 0.003 0.000 0.347 121 H C 0.753 176.221 175.328 0.234 0.000 1.068 121 H CA 0.352 56.610 56.048 0.350 0.000 1.426 121 H CB 1.317 31.229 29.762 0.249 0.000 1.410 121 H HN 0.540 nan 8.280 nan 0.000 0.597 122 R N 2.517 123.198 120.500 0.302 0.000 2.119 122 R HA -0.077 4.265 4.340 0.003 0.000 0.222 122 R C 1.959 178.357 176.300 0.163 0.000 1.088 122 R CA 0.912 57.129 56.100 0.193 0.000 0.984 122 R CB -0.117 30.270 30.300 0.145 0.000 0.884 122 R HN 0.453 nan 8.270 nan 0.000 0.447 123 V N 1.087 121.101 119.914 0.166 0.000 2.626 123 V HA -0.146 3.975 4.120 0.003 0.000 0.252 123 V C 0.726 176.880 176.094 0.100 0.000 1.067 123 V CA 2.147 64.510 62.300 0.106 0.000 1.081 123 V CB -0.153 31.714 31.823 0.074 0.000 0.686 123 V HN 0.305 nan 8.190 nan 0.000 0.468 124 D N 0.183 120.671 120.400 0.146 0.000 2.348 124 D HA 0.105 4.747 4.640 0.003 0.000 0.211 124 D C 0.862 177.268 176.300 0.177 0.000 0.998 124 D CA 0.023 54.109 54.000 0.144 0.000 0.873 124 D CB -0.058 40.840 40.800 0.163 0.000 0.925 124 D HN 0.475 nan 8.370 nan 0.000 0.524 125 L N 1.357 122.689 121.223 0.182 0.000 2.540 125 L HA 0.049 4.391 4.340 0.003 0.000 0.276 125 L C -0.401 176.566 176.870 0.161 0.000 1.212 125 L CA -0.171 54.781 54.840 0.186 0.000 0.893 125 L CB -0.058 42.086 42.059 0.142 0.000 1.138 125 L HN -0.192 nan 8.230 nan 0.000 0.491 126 F N 5.425 125.407 119.950 0.052 0.000 2.471 126 F HA 0.329 4.858 4.527 0.003 0.000 0.365 126 F C 0.066 175.849 175.800 -0.028 0.000 1.095 126 F CA 0.167 58.176 58.000 0.016 0.000 1.174 126 F CB 0.132 39.132 39.000 -0.000 0.000 1.105 126 F HN 0.575 nan 8.300 nan 0.000 0.535 127 Q N 5.940 125.542 119.800 -0.330 0.000 2.533 127 Q HA 0.513 4.855 4.340 0.003 0.000 0.251 127 Q C -0.860 174.958 176.000 -0.304 0.000 0.966 127 Q CA -0.784 54.900 55.803 -0.198 0.000 0.714 127 Q CB 1.687 30.365 28.738 -0.101 0.000 1.284 127 Q HN 0.782 nan 8.270 nan 0.000 0.478 128 A N 3.343 126.017 122.820 -0.244 0.000 2.316 128 A HA 0.688 5.010 4.320 0.003 0.000 0.284 128 A C -2.245 175.240 177.584 -0.164 0.000 1.115 128 A CA -1.247 50.678 52.037 -0.187 0.000 0.812 128 A CB 0.038 19.017 19.000 -0.035 0.000 1.064 128 A HN 0.378 nan 8.150 nan 0.000 0.489 129 P HA -0.080 nan 4.420 nan 0.000 0.272 129 P C 0.014 177.125 177.300 -0.315 0.000 1.210 129 P CA 0.690 63.639 63.100 -0.252 0.000 0.789 129 P CB 0.492 31.916 31.700 -0.460 0.000 0.849 130 D N -0.037 120.251 120.400 -0.187 0.000 2.259 130 D HA -0.055 4.586 4.640 0.003 0.000 0.216 130 D C 1.594 177.816 176.300 -0.129 0.000 0.961 130 D CA 0.419 54.349 54.000 -0.116 0.000 0.878 130 D CB -0.340 40.465 40.800 0.008 0.000 1.009 130 D HN 0.517 nan 8.370 nan 0.000 0.490 131 W N 1.773 123.051 121.300 -0.037 0.000 2.305 131 W HA -0.232 4.430 4.660 0.003 0.000 0.308 131 W C 1.745 178.230 176.519 -0.058 0.000 1.226 131 W CA 1.520 58.838 57.345 -0.045 0.000 1.253 131 W CB -1.642 27.793 29.460 -0.041 0.000 1.146 131 W HN 0.003 nan 8.180 nan 0.000 0.507 132 V N 0.887 120.357 119.914 -0.740 0.000 2.439 132 V HA -0.330 3.791 4.120 0.003 0.000 0.253 132 V C 2.380 178.391 176.094 -0.140 0.000 1.074 132 V CA 2.493 64.469 62.300 -0.540 0.000 1.076 132 V CB -1.119 30.048 31.823 -1.093 0.000 0.664 132 V HN 0.203 nan 8.190 nan 0.000 0.461 133 K N 0.286 120.604 120.400 -0.137 0.000 2.148 133 K HA -0.058 4.263 4.320 0.003 0.000 0.204 133 K C 0.996 177.604 176.600 0.013 0.000 1.050 133 K CA 1.396 57.660 56.287 -0.037 0.000 0.942 133 K CB -0.223 32.256 32.500 -0.036 0.000 0.724 133 K HN 0.546 nan 8.250 nan 0.000 0.446 134 D N 1.666 122.087 120.400 0.036 0.000 2.894 134 D HA 0.026 4.668 4.640 0.003 0.000 0.248 134 D C -0.063 176.264 176.300 0.044 0.000 1.291 134 D CA 0.336 54.363 54.000 0.046 0.000 0.840 134 D CB 0.511 41.344 40.800 0.055 0.000 1.044 134 D HN 0.239 nan 8.370 nan 0.000 0.484 135 T N -3.399 111.175 114.554 0.034 0.000 2.843 135 T HA 0.558 4.910 4.350 0.003 0.000 0.302 135 T C -0.774 173.896 174.700 -0.049 0.000 1.232 135 T CA -0.714 61.360 62.100 -0.045 0.000 1.009 135 T CB 2.205 70.998 68.868 -0.124 0.000 1.254 135 T HN -0.215 nan 8.240 nan 0.000 0.504 136 V N 1.572 121.422 119.914 -0.107 0.000 2.487 136 V HA 0.549 4.671 4.120 0.003 0.000 0.298 136 V C -1.105 174.982 176.094 -0.010 0.000 1.028 136 V CA -0.952 61.349 62.300 0.002 0.000 0.860 136 V CB 1.323 33.157 31.823 0.017 0.000 0.991 136 V HN 0.939 nan 8.190 nan 0.000 0.427 137 W N 3.419 124.805 121.300 0.143 0.000 2.417 137 W HA 0.582 5.244 4.660 0.003 0.000 0.317 137 W C -0.544 176.134 176.519 0.264 0.000 1.121 137 W CA -0.395 57.096 57.345 0.244 0.000 1.208 137 W CB 0.905 30.582 29.460 0.360 0.000 1.253 137 W HN 0.545 nan 8.180 nan 0.000 0.533 138 Y N 3.340 123.874 120.300 0.389 0.000 2.335 138 Y HA 0.288 4.840 4.550 0.003 0.000 0.338 138 Y C -0.238 175.845 175.900 0.306 0.000 0.977 138 Y CA -1.267 56.994 58.100 0.268 0.000 1.114 138 Y CB 1.178 39.727 38.460 0.147 0.000 1.182 138 Y HN 0.449 nan 8.280 nan 0.000 0.463 139 Q N 7.904 127.633 119.800 -0.118 0.000 2.322 139 Q HA 0.608 4.949 4.340 0.003 0.000 0.265 139 Q C -1.447 174.356 176.000 -0.328 0.000 0.985 139 Q CA -0.875 54.873 55.803 -0.092 0.000 0.849 139 Q CB 1.259 30.081 28.738 0.141 0.000 1.274 139 Q HN 0.835 nan 8.270 nan 0.000 0.449 140 I N 0.801 121.141 120.570 -0.385 0.000 2.545 140 I HA 0.506 4.678 4.170 0.003 0.000 0.292 140 I C -1.523 174.332 176.117 -0.437 0.000 1.040 140 I CA -1.099 59.896 61.300 -0.509 0.000 1.068 140 I CB 1.604 39.172 38.000 -0.721 0.000 1.251 140 I HN 0.653 nan 8.210 nan 0.000 0.424 141 F N 9.116 128.660 119.950 -0.675 0.000 2.351 141 F HA 0.526 5.055 4.527 0.003 0.000 0.362 141 F C -1.847 173.699 175.800 -0.423 0.000 1.131 141 F CA -2.217 55.511 58.000 -0.453 0.000 1.187 141 F CB 0.627 39.476 39.000 -0.252 0.000 1.434 141 F HN 0.406 nan 8.300 nan 0.000 0.553 142 P HA -0.316 nan 4.420 nan 0.000 0.226 142 P C 1.412 178.746 177.300 0.057 0.000 1.154 142 P CA 1.662 64.551 63.100 -0.351 0.000 0.918 142 P CB 0.188 31.299 31.700 -0.982 0.000 0.790 143 E N -1.364 118.986 120.200 0.250 0.000 2.472 143 E HA -0.127 4.225 4.350 0.003 0.000 0.200 143 E C 0.922 177.789 176.600 0.445 0.000 1.046 143 E CA 0.740 57.452 56.400 0.519 0.000 0.871 143 E CB 0.067 30.137 29.700 0.616 0.000 0.806 143 E HN 0.166 nan 8.360 nan 0.000 0.533 144 R N -1.384 119.320 120.500 0.341 0.000 2.590 144 R HA 0.106 4.448 4.340 0.003 0.000 0.410 144 R C 0.985 177.353 176.300 0.112 0.000 1.010 144 R CA -0.233 55.975 56.100 0.180 0.000 1.155 144 R CB -0.410 29.946 30.300 0.093 0.000 1.455 144 R HN 0.065 nan 8.270 nan 0.000 0.567 145 F N 1.206 121.126 119.950 -0.051 0.000 2.231 145 F HA 0.509 5.037 4.527 0.003 0.000 0.267 145 F C 0.218 176.162 175.800 0.240 0.000 1.108 145 F CA 0.193 58.195 58.000 0.004 0.000 1.098 145 F CB 0.105 39.080 39.000 -0.043 0.000 1.088 145 F HN -0.078 nan 8.300 nan 0.000 0.541 146 A N 0.312 123.216 122.820 0.140 0.000 2.475 146 A HA 0.448 4.770 4.320 0.003 0.000 0.301 146 A C -1.325 176.311 177.584 0.086 0.000 1.059 146 A CA -0.640 51.344 52.037 -0.088 0.000 0.710 146 A CB 0.698 19.348 19.000 -0.584 0.000 1.288 146 A HN 0.463 nan 8.150 nan 0.000 0.408 147 N N 1.433 120.172 118.700 0.067 0.000 2.546 147 N HA 0.493 5.235 4.740 0.003 0.000 0.238 147 N C 0.459 176.014 175.510 0.076 0.000 0.984 147 N CA -0.107 53.005 53.050 0.104 0.000 0.935 147 N CB 0.879 39.435 38.487 0.115 0.000 1.122 147 N HN 0.817 nan 8.380 nan 0.000 0.510 148 G N 1.811 110.663 108.800 0.088 0.000 2.630 148 G HA2 -0.014 3.947 3.960 0.003 0.000 0.223 148 G HA3 -0.014 3.947 3.960 0.003 0.000 0.223 148 G C -0.059 174.877 174.900 0.060 0.000 1.434 148 G CA -0.512 44.626 45.100 0.063 0.000 1.057 148 G HN 0.705 nan 8.290 nan 0.000 0.570 149 N N 1.098 119.829 118.700 0.051 0.000 1.939 149 N HA -0.021 4.721 4.740 0.003 0.000 0.301 149 N C -2.252 173.290 175.510 0.054 0.000 1.353 149 N CA -0.413 52.665 53.050 0.047 0.000 0.851 149 N CB 0.207 38.722 38.487 0.047 0.000 1.153 149 N HN -0.069 nan 8.380 nan 0.000 0.496 150 P HA 0.085 nan 4.420 nan 0.000 0.244 150 P C -0.600 176.719 177.300 0.033 0.000 1.723 150 P CA 0.083 63.207 63.100 0.041 0.000 1.110 150 P CB 0.050 31.770 31.700 0.033 0.000 1.972 151 A N 3.187 126.033 122.820 0.045 0.000 2.379 151 A HA 0.147 4.468 4.320 0.003 0.000 0.236 151 A C 0.999 178.616 177.584 0.055 0.000 1.272 151 A CA -0.376 51.689 52.037 0.047 0.000 0.886 151 A CB -0.867 18.166 19.000 0.055 0.000 0.962 151 A HN 0.486 nan 8.150 nan 0.000 0.504 152 I N -1.415 119.167 120.570 0.020 0.000 3.112 152 I HA 0.298 4.470 4.170 0.003 0.000 0.284 152 I C 0.632 176.651 176.117 -0.163 0.000 1.227 152 I CA -0.362 60.907 61.300 -0.052 0.000 1.369 152 I CB 0.372 38.358 38.000 -0.022 0.000 1.376 152 I HN 0.218 nan 8.210 nan 0.000 0.608 153 S N 2.779 118.225 115.700 -0.422 0.000 2.634 153 S HA 0.398 4.870 4.470 0.003 0.000 0.261 153 S C -2.284 172.137 174.600 -0.298 0.000 1.271 153 S CA -1.078 56.789 58.200 -0.555 0.000 0.985 153 S CB 0.229 62.776 63.200 -1.088 0.000 0.968 153 S HN 0.703 nan 8.310 nan 0.000 0.568 154 P HA 0.354 nan 4.420 nan 0.000 0.283 154 P C -0.788 176.442 177.300 -0.117 0.000 1.412 154 P CA -0.253 62.763 63.100 -0.140 0.000 0.912 154 P CB 0.218 31.854 31.700 -0.108 0.000 1.132 155 K N 1.341 121.684 120.400 -0.094 0.000 2.680 155 K HA 0.373 4.695 4.320 0.003 0.000 0.295 155 K C -0.395 176.139 176.600 -0.109 0.000 1.052 155 K CA -0.622 55.611 56.287 -0.089 0.000 0.863 155 K CB 0.005 32.476 32.500 -0.049 0.000 1.549 155 K HN 0.263 nan 8.250 nan 0.000 0.391 156 G N 0.326 109.016 108.800 -0.183 0.000 2.109 156 G HA2 0.338 4.300 3.960 0.003 0.000 0.249 156 G HA3 0.338 4.300 3.960 0.003 0.000 0.249 156 G C -0.094 174.768 174.900 -0.062 0.000 1.126 156 G CA 0.377 45.375 45.100 -0.170 0.000 0.923 156 G HN 0.757 nan 8.290 nan 0.000 0.439 157 A N 4.303 127.166 122.820 0.072 0.000 2.260 157 A HA 0.733 5.054 4.320 0.003 0.000 0.308 157 A C 0.688 178.440 177.584 0.280 0.000 1.254 157 A CA -0.610 51.532 52.037 0.175 0.000 0.874 157 A CB 0.412 19.475 19.000 0.105 0.000 1.153 157 A HN 0.878 nan 8.150 nan 0.000 0.527 158 R N 0.734 121.476 120.500 0.403 0.000 2.120 158 R HA -0.158 4.183 4.340 0.003 0.000 0.247 158 R C -2.125 174.368 176.300 0.321 0.000 1.354 158 R CA 0.704 56.978 56.100 0.290 0.000 1.305 158 R CB -2.041 28.358 30.300 0.165 0.000 3.442 158 R HN 0.738 nan 8.270 nan 0.000 0.291 159 P HA -0.263 nan 4.420 nan 0.000 0.291 159 P C 0.876 178.417 177.300 0.403 0.000 1.864 159 P CA 1.914 65.121 63.100 0.178 0.000 1.676 159 P CB -0.095 31.643 31.700 0.065 0.000 0.342 160 W N -3.940 117.403 121.300 0.072 0.000 4.816 160 W HA 0.134 4.796 4.660 0.003 0.000 0.151 160 W C -0.002 176.538 176.519 0.035 0.000 2.236 160 W CA 0.557 57.941 57.345 0.066 0.000 1.655 160 W CB -0.484 29.027 29.460 0.084 0.000 0.775 160 W HN 0.433 nan 8.180 nan 0.000 1.031 161 G N 0.927 109.664 108.800 -0.104 0.000 3.108 161 G HA2 0.385 4.347 3.960 0.003 0.000 0.268 161 G HA3 0.385 4.347 3.960 0.003 0.000 0.268 161 G C 0.155 174.992 174.900 -0.106 0.000 1.361 161 G CA 0.387 45.324 45.100 -0.272 0.000 1.047 161 G HN -0.018 nan 8.290 nan 0.000 0.540 162 S N -0.763 114.871 115.700 -0.110 0.000 2.489 162 S HA 0.047 4.519 4.470 0.003 0.000 0.228 162 S C 1.054 175.621 174.600 -0.056 0.000 0.995 162 S CA 1.335 59.489 58.200 -0.076 0.000 0.934 162 S CB 0.013 63.167 63.200 -0.077 0.000 0.771 162 S HN 0.631 nan 8.310 nan 0.000 0.522 163 E N -0.617 119.558 120.200 -0.041 0.000 2.703 163 E HA 0.108 4.460 4.350 0.003 0.000 0.214 163 E C 0.255 176.870 176.600 0.024 0.000 0.944 163 E CA -0.132 56.258 56.400 -0.017 0.000 1.299 163 E CB 0.267 29.953 29.700 -0.022 0.000 1.189 163 E HN 0.081 nan 8.360 nan 0.000 0.597 164 D N 1.867 122.294 120.400 0.045 0.000 2.088 164 D HA -0.025 4.616 4.640 0.003 0.000 0.196 164 D C -1.193 175.226 176.300 0.199 0.000 0.983 164 D CA 0.844 54.924 54.000 0.133 0.000 0.846 164 D CB -1.506 39.408 40.800 0.190 0.000 0.992 164 D HN 0.105 nan 8.370 nan 0.000 0.448 165 P HA -0.037 nan 4.420 nan 0.000 0.272 165 P C -0.742 176.718 177.300 0.267 0.000 1.225 165 P CA 1.113 64.419 63.100 0.344 0.000 0.800 165 P CB 0.307 32.290 31.700 0.472 0.000 0.894 166 T N -0.711 114.066 114.554 0.372 0.000 2.760 166 T HA -0.023 4.328 4.350 0.003 0.000 0.485 166 T C -2.112 172.675 174.700 0.145 0.000 0.803 166 T CA -0.018 62.250 62.100 0.279 0.000 2.566 166 T CB -1.290 67.671 68.868 0.156 0.000 1.736 166 T HN 0.481 nan 8.240 nan 0.000 0.624 167 P HA 0.348 nan 4.420 nan 0.000 0.223 167 P C 0.166 177.482 177.300 0.027 0.000 1.097 167 P CA 0.400 63.529 63.100 0.049 0.000 0.977 167 P CB 0.970 32.683 31.700 0.022 0.000 0.935 168 T N -0.972 113.576 114.554 -0.011 0.000 4.309 168 T HA 0.110 4.461 4.350 0.003 0.000 0.146 168 T C -0.923 173.655 174.700 -0.204 0.000 0.484 168 T CA -0.302 61.766 62.100 -0.054 0.000 0.800 168 T CB -1.620 67.241 68.868 -0.011 0.000 1.237 168 T HN 0.033 nan 8.240 nan 0.000 0.469 169 S N 0.678 116.206 115.700 -0.286 0.000 2.570 169 S HA 0.579 5.051 4.470 0.003 0.000 0.286 169 S C -0.243 174.060 174.600 -0.495 0.000 1.143 169 S CA -1.155 56.732 58.200 -0.521 0.000 0.921 169 S CB 0.767 63.807 63.200 -0.266 0.000 1.108 169 S HN 0.374 nan 8.310 nan 0.000 0.456 170 F N 1.271 121.143 119.950 -0.129 0.000 2.670 170 F HA 0.043 4.571 4.527 0.003 0.000 0.325 170 F C 1.156 176.710 175.800 -0.411 0.000 1.125 170 F CA 0.841 58.761 58.000 -0.135 0.000 1.345 170 F CB -0.026 38.888 39.000 -0.144 0.000 1.019 170 F HN 0.675 nan 8.300 nan 0.000 0.640 171 F N -1.216 118.888 119.950 0.256 0.000 2.938 171 F HA 0.323 4.852 4.527 0.003 0.000 0.370 171 F C 1.252 177.138 175.800 0.143 0.000 0.981 171 F CA 0.326 58.425 58.000 0.164 0.000 1.108 171 F CB 0.971 40.059 39.000 0.147 0.000 1.086 171 F HN 0.647 nan 8.300 nan 0.000 0.569 172 G N 1.062 110.044 108.800 0.303 0.000 2.141 172 G HA2 -0.063 3.898 3.960 0.003 0.000 0.164 172 G HA3 -0.063 3.898 3.960 0.003 0.000 0.164 172 G C 0.510 175.549 174.900 0.231 0.000 1.009 172 G CA -0.374 44.842 45.100 0.194 0.000 0.677 172 G HN 0.647 nan 8.290 nan 0.000 0.508 173 G N 0.045 109.036 108.800 0.318 0.000 2.594 173 G HA2 0.609 4.571 3.960 0.003 0.000 0.243 173 G HA3 0.609 4.571 3.960 0.003 0.000 0.243 173 G C -0.061 175.076 174.900 0.395 0.000 1.229 173 G CA 0.824 46.122 45.100 0.330 0.000 0.843 173 G HN 1.264 nan 8.290 nan 0.000 0.578 174 D N -0.517 120.084 120.400 0.336 0.000 2.653 174 D HA 0.182 4.824 4.640 0.003 0.000 0.258 174 D C 0.601 177.026 176.300 0.208 0.000 1.252 174 D CA -0.888 53.334 54.000 0.370 0.000 0.777 174 D CB 0.535 41.488 40.800 0.255 0.000 1.339 174 D HN 0.131 nan 8.370 nan 0.000 0.422 175 L N 0.033 121.352 121.223 0.159 0.000 2.012 175 L HA -0.148 4.193 4.340 0.003 0.000 0.210 175 L C 2.377 179.303 176.870 0.093 0.000 1.073 175 L CA 1.757 56.636 54.840 0.065 0.000 0.748 175 L CB -0.836 41.242 42.059 0.032 0.000 0.891 175 L HN 0.562 nan 8.230 nan 0.000 0.431 176 Q N -0.285 119.576 119.800 0.103 0.000 2.156 176 Q HA -0.240 4.102 4.340 0.003 0.000 0.211 176 Q C 2.155 178.223 176.000 0.113 0.000 0.995 176 Q CA 1.920 57.778 55.803 0.091 0.000 0.877 176 Q CB -0.955 27.832 28.738 0.080 0.000 0.920 176 Q HN 0.620 nan 8.270 nan 0.000 0.416 177 G N 0.842 109.729 108.800 0.145 0.000 2.545 177 G HA2 -0.273 3.689 3.960 0.003 0.000 0.217 177 G HA3 -0.273 3.689 3.960 0.003 0.000 0.217 177 G C 1.608 176.685 174.900 0.296 0.000 1.218 177 G CA 1.233 46.447 45.100 0.191 0.000 0.787 177 G HN 0.419 nan 8.290 nan 0.000 0.571 178 I N 0.910 121.672 120.570 0.321 0.000 2.113 178 I HA -0.310 3.861 4.170 0.003 0.000 0.242 178 I C 2.762 179.042 176.117 0.271 0.000 1.057 178 I CA 1.365 62.872 61.300 0.345 0.000 1.314 178 I CB -0.386 37.675 38.000 0.102 0.000 1.022 178 I HN 0.206 nan 8.210 nan 0.000 0.408 179 I N 0.570 121.234 120.570 0.157 0.000 2.118 179 I HA -0.325 3.847 4.170 0.003 0.000 0.241 179 I C 1.791 177.961 176.117 0.089 0.000 1.070 179 I CA 1.529 62.890 61.300 0.102 0.000 1.327 179 I CB -0.688 37.350 38.000 0.064 0.000 1.034 179 I HN 0.278 nan 8.210 nan 0.000 0.405 180 D N -0.152 120.296 120.400 0.080 0.000 2.403 180 D HA -0.125 4.517 4.640 0.003 0.000 0.227 180 D C 1.080 177.214 176.300 -0.278 0.000 0.995 180 D CA 1.133 55.087 54.000 -0.077 0.000 0.928 180 D CB -0.185 40.546 40.800 -0.115 0.000 0.887 180 D HN 0.582 nan 8.370 nan 0.000 0.529 181 H N -0.873 118.170 119.070 -0.045 0.000 2.750 181 H HA 0.102 4.660 4.556 0.003 0.000 0.252 181 H C 1.367 176.801 175.328 0.176 0.000 1.176 181 H CA -0.347 55.671 56.048 -0.050 0.000 0.987 181 H CB 0.786 30.379 29.762 -0.282 0.000 1.810 181 H HN -0.019 nan 8.280 nan 0.000 0.630 182 L N 1.328 122.672 121.223 0.202 0.000 1.989 182 L HA -0.201 4.141 4.340 0.003 0.000 0.211 182 L C 2.014 178.969 176.870 0.141 0.000 1.071 182 L CA 1.741 56.677 54.840 0.160 0.000 0.749 182 L CB -0.492 41.615 42.059 0.080 0.000 0.890 182 L HN 0.297 nan 8.230 nan 0.000 0.431 183 D N -1.424 119.037 120.400 0.101 0.000 2.192 183 D HA -0.345 4.297 4.640 0.003 0.000 0.189 183 D C 2.046 178.441 176.300 0.157 0.000 1.007 183 D CA 2.144 56.197 54.000 0.089 0.000 0.859 183 D CB -0.503 40.331 40.800 0.056 0.000 0.936 183 D HN 0.392 nan 8.370 nan 0.000 0.447 184 Y N 1.905 122.277 120.300 0.119 0.000 2.053 184 Y HA -0.254 4.298 4.550 0.003 0.000 0.277 184 Y C 2.452 178.444 175.900 0.154 0.000 1.159 184 Y CA 1.466 59.691 58.100 0.208 0.000 1.125 184 Y CB -0.694 37.996 38.460 0.383 0.000 0.969 184 Y HN -0.073 nan 8.280 nan 0.000 0.492 185 L N -0.217 121.045 121.223 0.065 0.000 1.970 185 L HA -0.250 4.092 4.340 0.003 0.000 0.212 185 L C 2.853 179.631 176.870 -0.154 0.000 1.071 185 L CA 1.390 56.120 54.840 -0.184 0.000 0.751 185 L CB -1.419 40.597 42.059 -0.071 0.000 0.889 185 L HN 0.330 nan 8.230 nan 0.000 0.432 186 A N 0.108 122.897 122.820 -0.053 0.000 1.940 186 A HA -0.363 3.959 4.320 0.003 0.000 0.221 186 A C 1.954 179.497 177.584 -0.070 0.000 1.190 186 A CA 2.610 54.615 52.037 -0.053 0.000 0.647 186 A CB -0.880 18.111 19.000 -0.016 0.000 0.821 186 A HN 0.546 nan 8.150 nan 0.000 0.457 187 D N -0.935 119.434 120.400 -0.052 0.000 2.149 187 D HA -0.069 4.572 4.640 0.003 0.000 0.201 187 D C 1.804 178.028 176.300 -0.125 0.000 0.972 187 D CA 0.931 54.908 54.000 -0.037 0.000 0.835 187 D CB -0.192 40.644 40.800 0.059 0.000 0.966 187 D HN 0.380 nan 8.370 nan 0.000 0.476 188 L N -1.035 120.032 121.223 -0.261 0.000 2.131 188 L HA -0.016 4.326 4.340 0.003 0.000 0.210 188 L C 1.643 178.324 176.870 -0.315 0.000 1.092 188 L CA 1.544 56.110 54.840 -0.455 0.000 0.759 188 L CB -0.132 41.556 42.059 -0.617 0.000 0.903 188 L HN 0.468 nan 8.230 nan 0.000 0.435 189 G N -0.488 108.182 108.800 -0.218 0.000 2.218 189 G HA2 -0.270 3.692 3.960 0.003 0.000 0.216 189 G HA3 -0.270 3.692 3.960 0.003 0.000 0.216 189 G C 0.361 175.181 174.900 -0.134 0.000 0.994 189 G CA 0.053 45.059 45.100 -0.157 0.000 0.637 189 G HN 0.419 nan 8.290 nan 0.000 0.505 190 I N 0.720 121.202 120.570 -0.146 0.000 2.948 190 I HA 0.544 4.716 4.170 0.003 0.000 0.290 190 I C 1.048 177.101 176.117 -0.108 0.000 1.226 190 I CA 1.253 62.498 61.300 -0.092 0.000 1.413 190 I CB 0.808 38.789 38.000 -0.032 0.000 1.352 190 I HN 0.444 nan 8.210 nan 0.000 0.597 191 T N 1.029 115.498 114.554 -0.141 0.000 3.393 191 T HA 0.672 5.024 4.350 0.003 0.000 0.298 191 T C 0.151 174.666 174.700 -0.308 0.000 1.004 191 T CA -0.005 61.984 62.100 -0.186 0.000 0.956 191 T CB -0.696 68.074 68.868 -0.164 0.000 1.182 191 T HN 1.379 nan 8.240 nan 0.000 0.497 192 G N 1.993 110.607 108.800 -0.310 0.000 2.524 192 G HA2 0.490 4.452 3.960 0.003 0.000 0.306 192 G HA3 0.490 4.452 3.960 0.003 0.000 0.306 192 G C -0.941 173.972 174.900 0.021 0.000 1.420 192 G CA -1.029 43.790 45.100 -0.468 0.000 1.086 192 G HN 0.669 nan 8.290 nan 0.000 0.591 193 I N 0.408 121.107 120.570 0.214 0.000 2.392 193 I HA 0.784 4.955 4.170 0.003 0.000 0.295 193 I C -0.891 175.568 176.117 0.570 0.000 0.985 193 I CA -1.388 60.142 61.300 0.383 0.000 1.221 193 I CB 1.943 40.044 38.000 0.169 0.000 1.366 193 I HN 0.425 nan 8.210 nan 0.000 0.467 194 Y N 7.921 128.467 120.300 0.410 0.000 2.328 194 Y HA 0.724 5.275 4.550 0.003 0.000 0.333 194 Y C -1.448 174.480 175.900 0.046 0.000 0.958 194 Y CA -2.034 56.190 58.100 0.205 0.000 1.167 194 Y CB 1.254 39.797 38.460 0.138 0.000 1.151 194 Y HN 0.676 nan 8.280 nan 0.000 0.470 195 L N 3.664 124.793 121.223 -0.156 0.000 2.346 195 L HA 0.690 5.032 4.340 0.003 0.000 0.276 195 L C 0.278 176.861 176.870 -0.478 0.000 1.006 195 L CA -1.060 53.508 54.840 -0.452 0.000 0.817 195 L CB 1.645 43.482 42.059 -0.369 0.000 1.272 195 L HN 0.517 nan 8.230 nan 0.000 0.421 196 T N 2.932 117.125 114.554 -0.601 0.000 2.779 196 T HA 0.043 4.394 4.350 0.003 0.000 0.348 196 T C -2.200 172.128 174.700 -0.620 0.000 1.090 196 T CA 0.029 61.796 62.100 -0.554 0.000 1.111 196 T CB -0.017 68.399 68.868 -0.752 0.000 1.026 196 T HN 0.622 nan 8.240 nan 0.000 0.547 197 P HA 0.012 nan 4.420 nan 0.000 0.263 197 P C 0.048 176.931 177.300 -0.695 0.000 1.175 197 P CA 0.603 63.274 63.100 -0.715 0.000 0.761 197 P CB -0.026 31.220 31.700 -0.757 0.000 0.794 198 I N -1.194 118.894 120.570 -0.804 0.000 3.241 198 I HA 0.362 4.534 4.170 0.003 0.000 0.333 198 I C -0.875 175.124 176.117 -0.197 0.000 1.534 198 I CA -0.730 60.270 61.300 -0.501 0.000 0.979 198 I CB -0.086 37.553 38.000 -0.600 0.000 1.497 198 I HN -0.166 nan 8.210 nan 0.000 0.530 199 F N 1.023 120.945 119.950 -0.046 0.000 2.450 199 F HA 0.557 5.086 4.527 0.003 0.000 0.332 199 F C 1.074 176.910 175.800 0.059 0.000 1.093 199 F CA -1.315 56.692 58.000 0.011 0.000 1.003 199 F CB 0.609 39.591 39.000 -0.029 0.000 1.151 199 F HN 0.050 nan 8.300 nan 0.000 0.474 200 R N 2.180 122.859 120.500 0.299 0.000 3.150 200 R HA 0.169 4.510 4.340 0.003 0.000 0.279 200 R C -0.837 175.553 176.300 0.149 0.000 0.742 200 R CA 0.525 56.725 56.100 0.167 0.000 1.080 200 R CB -0.903 29.497 30.300 0.168 0.000 0.918 200 R HN 0.826 nan 8.270 nan 0.000 0.386 201 A N 6.638 129.522 122.820 0.108 0.000 2.555 201 A HA 0.384 4.706 4.320 0.003 0.000 0.297 201 A C -2.614 175.037 177.584 0.111 0.000 1.060 201 A CA -1.130 50.979 52.037 0.120 0.000 0.710 201 A CB 2.034 21.105 19.000 0.119 0.000 1.282 201 A HN 0.465 nan 8.150 nan 0.000 0.399 202 P HA 0.299 nan 4.420 nan 0.000 0.225 202 P C -0.417 176.971 177.300 0.145 0.000 1.813 202 P CA 0.328 63.512 63.100 0.140 0.000 1.013 202 P CB 0.202 31.979 31.700 0.129 0.000 1.961 203 S N 1.902 117.698 115.700 0.160 0.000 2.556 203 S HA 0.172 4.643 4.470 0.003 0.000 0.280 203 S C 1.071 175.700 174.600 0.048 0.000 1.141 203 S CA -0.588 57.593 58.200 -0.030 0.000 0.883 203 S CB 0.299 63.228 63.200 -0.452 0.000 1.103 203 S HN 0.238 nan 8.310 nan 0.000 0.453 204 N N 2.275 120.872 118.700 -0.173 0.000 2.192 204 N HA -0.156 4.586 4.740 0.003 0.000 0.188 204 N C 0.522 176.130 175.510 0.163 0.000 1.013 204 N CA 2.142 55.200 53.050 0.014 0.000 0.863 204 N CB -0.742 37.622 38.487 -0.204 0.000 0.990 204 N HN 0.826 nan 8.380 nan 0.000 0.430 205 H N -2.417 116.737 119.070 0.141 0.000 2.483 205 H HA 0.643 5.200 4.556 0.003 0.000 0.338 205 H C -0.660 174.597 175.328 -0.117 0.000 1.152 205 H CA -1.282 54.726 56.048 -0.067 0.000 1.264 205 H CB 1.219 31.076 29.762 0.159 0.000 1.510 205 H HN -0.228 nan 8.280 nan 0.000 0.530 206 K N 2.570 122.883 120.400 -0.145 0.000 2.981 206 K HA 0.188 4.510 4.320 0.003 0.000 0.213 206 K C -0.761 175.709 176.600 -0.217 0.000 1.154 206 K CA -0.146 56.066 56.287 -0.126 0.000 1.111 206 K CB -0.488 31.906 32.500 -0.176 0.000 0.975 206 K HN 0.610 nan 8.250 nan 0.000 0.462 207 Y N -1.362 119.086 120.300 0.247 0.000 2.478 207 Y HA 0.073 4.624 4.550 0.003 0.000 0.261 207 Y C 1.248 177.236 175.900 0.146 0.000 1.127 207 Y CA -0.100 58.049 58.100 0.081 0.000 1.288 207 Y CB 0.306 38.699 38.460 -0.111 0.000 1.084 207 Y HN 0.180 nan 8.280 nan 0.000 0.530 208 D N 0.266 120.891 120.400 0.375 0.000 2.338 208 D HA -0.066 4.575 4.640 0.003 0.000 0.239 208 D C 0.477 176.909 176.300 0.220 0.000 1.095 208 D CA 0.226 54.417 54.000 0.319 0.000 0.888 208 D CB -0.189 40.831 40.800 0.367 0.000 0.899 208 D HN -0.021 nan 8.370 nan 0.000 0.525 209 T N -0.841 113.798 114.554 0.141 0.000 2.499 209 T HA -0.135 4.217 4.350 0.003 0.000 0.208 209 T C 0.932 175.680 174.700 0.080 0.000 1.023 209 T CA 0.769 62.875 62.100 0.011 0.000 1.166 209 T CB 0.340 69.047 68.868 -0.269 0.000 0.998 209 T HN 0.243 nan 8.240 nan 0.000 0.447 210 A N 3.780 126.686 122.820 0.143 0.000 2.287 210 A HA 0.384 4.705 4.320 0.003 0.000 0.214 210 A C 0.565 178.400 177.584 0.418 0.000 1.228 210 A CA 0.357 52.579 52.037 0.309 0.000 0.939 210 A CB 0.546 19.691 19.000 0.242 0.000 0.992 210 A HN 0.814 nan 8.150 nan 0.000 0.502 211 D N -1.542 119.038 120.400 0.301 0.000 2.548 211 D HA 0.257 4.899 4.640 0.003 0.000 0.214 211 D C -0.952 175.523 176.300 0.292 0.000 1.345 211 D CA -0.408 53.850 54.000 0.430 0.000 0.945 211 D CB 0.234 41.246 40.800 0.353 0.000 1.499 211 D HN 0.077 nan 8.370 nan 0.000 0.579 212 Y N 2.093 122.562 120.300 0.281 0.000 2.553 212 Y HA 0.198 4.750 4.550 0.003 0.000 0.303 212 Y C 1.199 176.869 175.900 -0.383 0.000 1.194 212 Y CA 0.219 58.205 58.100 -0.190 0.000 1.305 212 Y CB -0.100 38.238 38.460 -0.203 0.000 1.045 212 Y HN 0.318 nan 8.280 nan 0.000 0.514 213 F N -0.327 119.825 119.950 0.335 0.000 2.688 213 F HA 0.246 4.775 4.527 0.003 0.000 0.310 213 F C 0.454 176.484 175.800 0.382 0.000 1.098 213 F CA -0.488 57.687 58.000 0.290 0.000 1.228 213 F CB 0.640 39.689 39.000 0.081 0.000 1.042 213 F HN -0.116 nan 8.300 nan 0.000 0.557 214 E N 0.964 121.498 120.200 0.556 0.000 2.290 214 E HA 0.385 4.737 4.350 0.003 0.000 0.274 214 E C -0.835 176.086 176.600 0.534 0.000 0.889 214 E CA -0.568 56.143 56.400 0.518 0.000 0.760 214 E CB 1.558 31.464 29.700 0.343 0.000 1.206 214 E HN 0.045 nan 8.360 nan 0.000 0.419 215 I N 3.732 124.628 120.570 0.543 0.000 2.505 215 I HA -0.004 4.168 4.170 0.003 0.000 0.287 215 I C 0.729 177.008 176.117 0.271 0.000 1.104 215 I CA -0.054 61.495 61.300 0.415 0.000 1.387 215 I CB 0.211 38.391 38.000 0.299 0.000 1.404 215 I HN 0.548 nan 8.210 nan 0.000 0.528 216 D N 10.443 130.992 120.400 0.249 0.000 2.658 216 D HA -0.078 4.564 4.640 0.003 0.000 0.230 216 D C -1.240 175.034 176.300 -0.045 0.000 1.118 216 D CA -0.885 53.152 54.000 0.062 0.000 0.848 216 D CB 1.289 42.105 40.800 0.026 0.000 1.160 216 D HN 0.337 nan 8.370 nan 0.000 0.497 217 P HA -0.227 nan 4.420 nan 0.000 0.215 217 P C 1.076 178.268 177.300 -0.180 0.000 1.163 217 P CA 1.454 64.443 63.100 -0.185 0.000 0.894 217 P CB -0.166 31.361 31.700 -0.287 0.000 0.791 218 H N -1.696 117.243 119.070 -0.219 0.000 2.523 218 H HA -0.115 4.442 4.556 0.003 0.000 0.296 218 H C 1.671 176.829 175.328 -0.282 0.000 1.106 218 H CA 0.950 56.802 56.048 -0.327 0.000 1.230 218 H CB -0.859 28.579 29.762 -0.540 0.000 1.359 218 H HN 0.266 nan 8.280 nan 0.000 0.552 219 F N -0.821 119.173 119.950 0.074 0.000 2.559 219 F HA 0.398 4.926 4.527 0.003 0.000 0.286 219 F C 1.749 177.566 175.800 0.029 0.000 1.108 219 F CA 0.639 58.661 58.000 0.038 0.000 1.436 219 F CB 0.614 39.604 39.000 -0.017 0.000 1.130 219 F HN 0.299 nan 8.300 nan 0.000 0.584 220 G N -0.471 108.444 108.800 0.192 0.000 2.441 220 G HA2 0.307 4.269 3.960 0.003 0.000 0.222 220 G HA3 0.307 4.269 3.960 0.003 0.000 0.222 220 G C -2.102 172.871 174.900 0.121 0.000 1.254 220 G CA -0.234 44.946 45.100 0.133 0.000 0.959 220 G HN 0.088 nan 8.290 nan 0.000 0.474 221 D N -0.790 119.684 120.400 0.124 0.000 2.596 221 D HA 0.323 4.965 4.640 0.003 0.000 0.262 221 D C 0.708 177.116 176.300 0.180 0.000 1.210 221 D CA -0.575 53.516 54.000 0.151 0.000 0.873 221 D CB 1.324 42.203 40.800 0.132 0.000 1.408 221 D HN 0.481 nan 8.370 nan 0.000 0.441 222 K N -0.198 120.360 120.400 0.262 0.000 2.071 222 K HA -0.241 4.080 4.320 0.003 0.000 0.217 222 K C 1.513 178.337 176.600 0.373 0.000 1.054 222 K CA 1.733 58.265 56.287 0.407 0.000 0.937 222 K CB -0.083 32.700 32.500 0.472 0.000 0.719 222 K HN 0.429 nan 8.250 nan 0.000 0.454 223 E N 0.292 120.642 120.200 0.250 0.000 2.118 223 E HA -0.130 4.222 4.350 0.003 0.000 0.195 223 E C 2.169 178.868 176.600 0.165 0.000 0.992 223 E CA 1.409 57.928 56.400 0.197 0.000 0.804 223 E CB -0.420 29.363 29.700 0.137 0.000 0.741 223 E HN 0.373 nan 8.360 nan 0.000 0.458 224 T N 2.083 116.717 114.554 0.133 0.000 2.652 224 T HA -0.182 4.169 4.350 0.003 0.000 0.267 224 T C 1.916 176.663 174.700 0.078 0.000 1.039 224 T CA 1.180 63.337 62.100 0.094 0.000 1.153 224 T CB -0.403 68.514 68.868 0.082 0.000 0.863 224 T HN 0.038 nan 8.240 nan 0.000 0.428 225 L N 1.550 122.802 121.223 0.048 0.000 1.970 225 L HA -0.076 4.265 4.340 0.003 0.000 0.212 225 L C 2.274 179.208 176.870 0.107 0.000 1.071 225 L CA 1.832 56.651 54.840 -0.036 0.000 0.751 225 L CB -0.750 41.095 42.059 -0.356 0.000 0.889 225 L HN 0.117 nan 8.230 nan 0.000 0.432 226 K N -1.258 119.331 120.400 0.315 0.000 2.189 226 K HA -0.237 4.084 4.320 0.003 0.000 0.207 226 K C 1.801 178.514 176.600 0.189 0.000 1.046 226 K CA 2.064 58.565 56.287 0.357 0.000 0.928 226 K CB -0.555 32.136 32.500 0.319 0.000 0.720 226 K HN 0.521 nan 8.250 nan 0.000 0.458 227 T N 1.990 116.626 114.554 0.136 0.000 2.698 227 T HA -0.098 4.254 4.350 0.003 0.000 0.260 227 T C 1.852 176.589 174.700 0.062 0.000 1.044 227 T CA 0.748 62.902 62.100 0.089 0.000 1.149 227 T CB -0.321 68.591 68.868 0.074 0.000 0.864 227 T HN 0.171 nan 8.240 nan 0.000 0.419 228 L N 1.196 122.445 121.223 0.043 0.000 1.997 228 L HA -0.202 4.139 4.340 0.003 0.000 0.216 228 L C 2.534 179.397 176.870 -0.012 0.000 1.074 228 L CA 1.642 56.487 54.840 0.009 0.000 0.763 228 L CB -0.466 41.582 42.059 -0.019 0.000 0.890 228 L HN 0.133 nan 8.230 nan 0.000 0.434 229 V N -0.271 119.649 119.914 0.009 0.000 2.295 229 V HA -0.287 3.835 4.120 0.003 0.000 0.246 229 V C 2.623 178.755 176.094 0.062 0.000 1.049 229 V CA 1.883 64.179 62.300 -0.006 0.000 1.024 229 V CB -0.758 31.134 31.823 0.116 0.000 0.648 229 V HN 0.435 nan 8.190 nan 0.000 0.447 230 K N 0.282 120.755 120.400 0.123 0.000 2.063 230 K HA -0.176 4.145 4.320 0.003 0.000 0.208 230 K C 2.338 178.992 176.600 0.090 0.000 1.048 230 K CA 1.504 57.871 56.287 0.134 0.000 0.928 230 K CB -0.266 32.295 32.500 0.102 0.000 0.713 230 K HN 0.267 nan 8.250 nan 0.000 0.442 231 R N 0.178 120.706 120.500 0.047 0.000 2.073 231 R HA -0.041 4.300 4.340 0.003 0.000 0.229 231 R C 2.639 178.936 176.300 -0.004 0.000 1.120 231 R CA 0.952 57.066 56.100 0.024 0.000 0.967 231 R CB -1.352 28.960 30.300 0.020 0.000 0.862 231 R HN 0.264 nan 8.270 nan 0.000 0.436 232 C N 0.266 119.532 119.300 -0.057 0.000 2.388 232 C HA -0.135 4.327 4.460 0.003 0.000 0.277 232 C C 2.624 177.544 174.990 -0.117 0.000 1.210 232 C CA 0.698 59.644 59.018 -0.120 0.000 1.743 232 C CB -1.156 26.455 27.740 -0.215 0.000 2.047 232 C HN 0.498 nan 8.230 nan 0.000 0.458 233 H N 0.186 119.225 119.070 -0.052 0.000 2.289 233 H HA -0.181 4.376 4.556 0.003 0.000 0.296 233 H C 2.128 177.418 175.328 -0.063 0.000 1.091 233 H CA 2.148 58.149 56.048 -0.077 0.000 1.274 233 H CB -0.869 28.853 29.762 -0.067 0.000 1.364 233 H HN 0.611 nan 8.280 nan 0.000 0.490 234 E N 0.602 120.858 120.200 0.094 0.000 2.169 234 E HA -0.212 4.140 4.350 0.003 0.000 0.202 234 E C 1.578 178.182 176.600 0.008 0.000 1.016 234 E CA 1.605 58.028 56.400 0.037 0.000 0.817 234 E CB 0.139 29.857 29.700 0.030 0.000 0.736 234 E HN 0.089 nan 8.360 nan 0.000 0.462 235 K N -1.536 118.860 120.400 -0.006 0.000 2.444 235 K HA 0.148 4.469 4.320 0.003 0.000 0.193 235 K C 0.660 177.235 176.600 -0.042 0.000 1.024 235 K CA 0.699 56.971 56.287 -0.024 0.000 1.077 235 K CB 0.802 33.285 32.500 -0.027 0.000 0.833 235 K HN 0.279 nan 8.250 nan 0.000 0.517 236 G N 0.448 109.223 108.800 -0.043 0.000 2.141 236 G HA2 -0.240 3.722 3.960 0.003 0.000 0.242 236 G HA3 -0.240 3.722 3.960 0.003 0.000 0.242 236 G C -0.213 174.619 174.900 -0.114 0.000 0.982 236 G CA -0.083 44.976 45.100 -0.068 0.000 0.662 236 G HN 0.147 nan 8.290 nan 0.000 0.527 237 I N 1.435 121.928 120.570 -0.128 0.000 2.353 237 I HA 0.563 4.735 4.170 0.003 0.000 0.293 237 I C 0.712 176.672 176.117 -0.262 0.000 0.992 237 I CA -1.050 60.142 61.300 -0.180 0.000 1.268 237 I CB 1.169 39.088 38.000 -0.134 0.000 1.387 237 I HN -0.032 nan 8.210 nan 0.000 0.478 238 R N 4.219 124.534 120.500 -0.307 0.000 2.528 238 R HA 0.668 5.010 4.340 0.003 0.000 0.271 238 R C -0.957 175.264 176.300 -0.132 0.000 1.056 238 R CA -0.826 55.088 56.100 -0.311 0.000 1.117 238 R CB 1.368 31.393 30.300 -0.459 0.000 1.085 238 R HN 0.316 nan 8.270 nan 0.000 0.530 239 V N 2.982 122.871 119.914 -0.042 0.000 2.487 239 V HA 0.440 4.562 4.120 0.003 0.000 0.298 239 V C -0.105 176.117 176.094 0.213 0.000 1.028 239 V CA -0.682 61.664 62.300 0.077 0.000 0.860 239 V CB 1.785 33.563 31.823 -0.076 0.000 0.991 239 V HN 0.667 nan 8.190 nan 0.000 0.427 240 M N 5.685 125.475 119.600 0.316 0.000 2.528 240 M HA 0.723 5.205 4.480 0.003 0.000 0.321 240 M C -1.827 174.491 176.300 0.030 0.000 1.153 240 M CA -0.317 55.081 55.300 0.164 0.000 0.951 240 M CB 1.816 34.470 32.600 0.090 0.000 1.705 240 M HN 0.521 nan 8.290 nan 0.000 0.451 241 L N 1.631 122.773 121.223 -0.134 0.000 2.323 241 L HA 0.534 4.876 4.340 0.003 0.000 0.265 241 L C -0.855 176.057 176.870 0.070 0.000 1.012 241 L CA -1.016 53.731 54.840 -0.155 0.000 0.820 241 L CB 2.051 43.829 42.059 -0.468 0.000 1.334 241 L HN 0.641 nan 8.230 nan 0.000 0.427 242 D N 1.584 122.014 120.400 0.050 0.000 2.359 242 D HA 0.400 5.042 4.640 0.003 0.000 0.230 242 D C -0.671 175.729 176.300 0.167 0.000 1.118 242 D CA -0.100 53.970 54.000 0.117 0.000 0.844 242 D CB 1.859 42.707 40.800 0.080 0.000 1.059 242 D HN 0.551 nan 8.370 nan 0.000 0.493 243 A N 3.936 126.831 122.820 0.126 0.000 2.252 243 A HA 0.385 4.706 4.320 0.003 0.000 0.309 243 A C -0.117 177.326 177.584 -0.234 0.000 1.285 243 A CA -0.591 51.325 52.037 -0.201 0.000 0.900 243 A CB 0.704 19.120 19.000 -0.972 0.000 1.157 243 A HN 0.384 nan 8.150 nan 0.000 0.536 244 V N 4.944 124.952 119.914 0.157 0.000 2.247 244 V HA 0.175 4.297 4.120 0.003 0.000 0.262 244 V C 0.033 176.434 176.094 0.512 0.000 1.096 244 V CA 0.019 62.456 62.300 0.228 0.000 0.895 244 V CB -0.658 31.354 31.823 0.314 0.000 1.141 244 V HN 0.873 nan 8.190 nan 0.000 0.478 245 F N 1.702 121.642 119.950 -0.017 0.000 2.582 245 F HA 0.121 4.650 4.527 0.003 0.000 0.290 245 F C 2.111 177.763 175.800 -0.246 0.000 1.115 245 F CA 0.116 58.033 58.000 -0.137 0.000 1.445 245 F CB -0.877 38.006 39.000 -0.195 0.000 1.126 245 F HN 0.497 nan 8.300 nan 0.000 0.574 246 N N 0.255 118.886 118.700 -0.116 0.000 2.348 246 N HA -0.165 4.576 4.740 0.003 0.000 0.185 246 N C 0.122 175.531 175.510 -0.169 0.000 1.019 246 N CA 1.167 54.097 53.050 -0.200 0.000 0.880 246 N CB -0.097 38.253 38.487 -0.228 0.000 0.965 246 N HN 0.488 nan 8.380 nan 0.000 0.437 247 H N -3.889 115.214 119.070 0.054 0.000 3.042 247 H HA 0.389 4.946 4.556 0.003 0.000 0.346 247 H C -0.717 174.653 175.328 0.069 0.000 1.294 247 H CA -0.945 55.126 56.048 0.039 0.000 1.141 247 H CB 0.351 30.135 29.762 0.036 0.000 1.872 247 H HN 0.144 nan 8.280 nan 0.000 0.541 248 C N 0.618 120.044 119.300 0.209 0.000 2.547 248 C HA 0.940 5.402 4.460 0.003 0.000 0.411 248 C C 1.148 176.215 174.990 0.128 0.000 1.424 248 C CA 0.028 59.092 59.018 0.077 0.000 1.848 248 C CB 0.840 28.345 27.740 -0.391 0.000 2.062 248 C HN 1.011 nan 8.230 nan 0.000 0.504 249 G N -1.435 107.458 108.800 0.155 0.000 2.557 249 G HA2 0.388 4.350 3.960 0.003 0.000 0.292 249 G HA3 0.388 4.350 3.960 0.003 0.000 0.292 249 G C -0.354 174.732 174.900 0.311 0.000 1.237 249 G CA -0.241 45.009 45.100 0.250 0.000 0.978 249 G HN 0.932 nan 8.290 nan 0.000 0.498 250 Y N -1.151 119.302 120.300 0.255 0.000 2.420 250 Y HA 0.160 4.712 4.550 0.002 0.000 0.292 250 Y C 2.354 178.487 175.900 0.389 0.000 1.119 250 Y CA 1.218 59.506 58.100 0.313 0.000 1.229 250 Y CB 0.494 39.147 38.460 0.323 0.000 1.026 250 Y HN 0.559 nan 8.280 nan 0.000 0.554 251 E N -0.225 120.179 120.200 0.340 0.000 2.437 251 E HA -0.007 4.344 4.350 0.003 0.000 0.189 251 E C -0.592 176.165 176.600 0.262 0.000 1.054 251 E CA -0.435 56.104 56.400 0.233 0.000 0.874 251 E CB -0.266 29.568 29.700 0.224 0.000 1.011 251 E HN 0.195 nan 8.360 nan 0.000 0.474 252 F N 0.937 120.993 119.950 0.177 0.000 2.494 252 F HA 0.182 4.710 4.527 0.003 0.000 0.369 252 F C 1.153 177.018 175.800 0.109 0.000 1.098 252 F CA -0.179 57.942 58.000 0.201 0.000 1.154 252 F CB 0.387 39.577 39.000 0.317 0.000 1.103 252 F HN 0.004 nan 8.300 nan 0.000 0.549 253 A N 7.587 130.204 122.820 -0.338 0.000 1.893 253 A HA -0.262 4.059 4.320 0.003 0.000 0.222 253 A C -0.480 176.705 177.584 -0.664 0.000 1.309 253 A CA 2.472 54.228 52.037 -0.469 0.000 0.681 253 A CB -2.246 16.471 19.000 -0.471 0.000 0.842 253 A HN 0.704 nan 8.150 nan 0.000 0.468 254 P HA -0.161 nan 4.420 nan 0.000 0.216 254 P C 1.449 178.556 177.300 -0.321 0.000 1.153 254 P CA 1.448 63.828 63.100 -1.200 0.000 0.858 254 P CB -0.140 30.692 31.700 -1.447 0.000 0.789 255 F N 0.127 120.081 119.950 0.006 0.000 2.206 255 F HA -0.112 4.417 4.527 0.003 0.000 0.298 255 F C 2.354 177.990 175.800 -0.273 0.000 1.090 255 F CA 1.184 59.131 58.000 -0.087 0.000 1.323 255 F CB -0.674 38.398 39.000 0.120 0.000 1.028 255 F HN -0.213 nan 8.300 nan 0.000 0.492 256 Q N 1.036 120.702 119.800 -0.224 0.000 2.002 256 Q HA -0.255 4.087 4.340 0.003 0.000 0.204 256 Q C 1.927 177.702 176.000 -0.375 0.000 0.988 256 Q CA 2.401 58.008 55.803 -0.326 0.000 0.843 256 Q CB -0.938 27.678 28.738 -0.203 0.000 0.908 256 Q HN 0.525 nan 8.270 nan 0.000 0.420 257 D N -1.213 118.987 120.400 -0.333 0.000 2.160 257 D HA -0.180 4.462 4.640 0.003 0.000 0.189 257 D C 1.673 177.810 176.300 -0.272 0.000 1.003 257 D CA 2.256 56.099 54.000 -0.261 0.000 0.846 257 D CB -0.251 40.413 40.800 -0.227 0.000 0.949 257 D HN 0.183 nan 8.370 nan 0.000 0.446 258 V N 0.460 120.182 119.914 -0.321 0.000 2.660 258 V HA -0.237 3.884 4.120 0.003 0.000 0.257 258 V C 2.506 178.336 176.094 -0.439 0.000 1.088 258 V CA 1.192 63.287 62.300 -0.342 0.000 1.106 258 V CB -0.612 30.971 31.823 -0.400 0.000 0.686 258 V HN 0.353 nan 8.190 nan 0.000 0.481 259 L N 0.303 121.207 121.223 -0.531 0.000 2.109 259 L HA -0.133 4.209 4.340 0.003 0.000 0.207 259 L C 2.546 179.257 176.870 -0.264 0.000 1.086 259 L CA 1.900 56.473 54.840 -0.444 0.000 0.760 259 L CB -0.440 41.341 42.059 -0.464 0.000 0.910 259 L HN 0.464 nan 8.230 nan 0.000 0.437 260 K N -1.488 118.776 120.400 -0.227 0.000 2.400 260 K HA 0.046 4.367 4.320 0.003 0.000 0.194 260 K C 1.107 177.614 176.600 -0.156 0.000 1.033 260 K CA 0.590 56.781 56.287 -0.160 0.000 1.021 260 K CB 0.169 32.590 32.500 -0.131 0.000 0.808 260 K HN 0.253 nan 8.250 nan 0.000 0.505 261 N N 0.450 119.038 118.700 -0.188 0.000 2.612 261 N HA 0.099 4.841 4.740 0.003 0.000 0.224 261 N C 1.161 176.512 175.510 -0.266 0.000 1.051 261 N CA 0.973 53.910 53.050 -0.188 0.000 0.889 261 N CB 0.658 39.048 38.487 -0.161 0.000 1.449 261 N HN 0.335 nan 8.380 nan 0.000 0.442 262 G N 1.612 110.217 108.800 -0.325 0.000 2.543 262 G HA2 -0.399 3.563 3.960 0.003 0.000 0.286 262 G HA3 -0.399 3.563 3.960 0.003 0.000 0.286 262 G C 1.046 175.414 174.900 -0.888 0.000 1.153 262 G CA 1.410 46.184 45.100 -0.544 0.000 0.968 262 G HN 0.576 nan 8.290 nan 0.000 0.544 263 A N 0.398 122.483 122.820 -1.226 0.000 2.148 263 A HA 0.258 4.580 4.320 0.003 0.000 0.222 263 A C 2.679 180.032 177.584 -0.385 0.000 1.161 263 A CA 3.378 54.806 52.037 -1.015 0.000 0.662 263 A CB -0.895 17.783 19.000 -0.538 0.000 0.799 263 A HN 2.207 nan 8.150 nan 0.000 0.466 264 A N 0.151 122.787 122.820 -0.308 0.000 2.109 264 A HA 0.354 4.676 4.320 0.003 0.000 0.220 264 A C 1.462 178.978 177.584 -0.115 0.000 1.613 264 A CA 0.915 52.854 52.037 -0.162 0.000 0.620 264 A CB -1.377 17.537 19.000 -0.143 0.000 1.212 264 A HN 1.571 nan 8.150 nan 0.000 0.508 265 S N 0.087 115.720 115.700 -0.112 0.000 4.466 265 S HA -0.248 4.224 4.470 0.003 0.000 0.529 265 S C 0.851 175.423 174.600 -0.046 0.000 1.031 265 S CA 0.893 59.061 58.200 -0.053 0.000 0.906 265 S CB -0.300 62.878 63.200 -0.037 0.000 1.279 265 S HN 0.731 nan 8.310 nan 0.000 0.417 266 R N 2.728 123.145 120.500 -0.139 0.000 2.154 266 R HA -0.189 4.152 4.340 0.003 0.000 0.248 266 R C 0.821 176.905 176.300 -0.360 0.000 1.155 266 R CA 2.145 58.064 56.100 -0.303 0.000 0.979 266 R CB -0.328 29.644 30.300 -0.547 0.000 0.869 266 R HN 0.914 nan 8.270 nan 0.000 0.452 267 Y N 1.456 121.683 120.300 -0.121 0.000 2.462 267 Y HA 0.037 4.589 4.550 0.002 0.000 0.293 267 Y C 1.744 177.764 175.900 0.201 0.000 1.195 267 Y CA 0.230 58.233 58.100 -0.161 0.000 1.276 267 Y CB 0.022 38.202 38.460 -0.467 0.000 1.082 267 Y HN 0.091 nan 8.280 nan 0.000 0.514 268 K N -0.208 120.367 120.400 0.292 0.000 2.173 268 K HA -0.236 4.086 4.320 0.003 0.000 0.207 268 K C 0.356 177.213 176.600 0.429 0.000 1.046 268 K CA 2.051 58.584 56.287 0.410 0.000 0.929 268 K CB -0.299 32.454 32.500 0.421 0.000 0.720 268 K HN 0.349 nan 8.250 nan 0.000 0.453 269 D N -0.035 120.562 120.400 0.329 0.000 2.323 269 D HA -0.064 4.578 4.640 0.003 0.000 0.209 269 D C 1.500 177.845 176.300 0.075 0.000 0.973 269 D CA 0.415 54.531 54.000 0.193 0.000 0.874 269 D CB -0.286 40.618 40.800 0.174 0.000 0.930 269 D HN 0.296 nan 8.370 nan 0.000 0.521 270 W N 0.750 121.956 121.300 -0.157 0.000 2.387 270 W HA -0.082 4.579 4.660 0.003 0.000 0.272 270 W C 0.692 176.952 176.519 -0.433 0.000 1.224 270 W CA 0.532 57.650 57.345 -0.378 0.000 1.210 270 W CB -0.411 28.831 29.460 -0.364 0.000 1.125 270 W HN -0.101 nan 8.180 nan 0.000 0.572 271 F N -2.620 117.546 119.950 0.360 0.000 2.914 271 F HA 0.404 4.933 4.527 0.003 0.000 0.379 271 F C -0.424 175.611 175.800 0.392 0.000 1.324 271 F CA -1.473 56.768 58.000 0.402 0.000 1.112 271 F CB -0.137 39.136 39.000 0.455 0.000 1.574 271 F HN -0.501 nan 8.300 nan 0.000 0.483 272 H N 0.368 119.697 119.070 0.433 0.000 2.887 272 H HA 0.621 5.179 4.556 0.003 0.000 0.300 272 H C -1.493 173.986 175.328 0.251 0.000 1.038 272 H CA -0.599 55.601 56.048 0.253 0.000 1.352 272 H CB 0.697 30.575 29.762 0.193 0.000 1.473 272 H HN 0.208 nan 8.280 nan 0.000 0.503 273 I N 2.321 123.001 120.570 0.183 0.000 2.478 273 I HA 0.362 4.533 4.170 0.003 0.000 0.287 273 I C 0.869 176.930 176.117 -0.092 0.000 1.042 273 I CA -0.590 60.754 61.300 0.073 0.000 1.067 273 I CB 1.901 39.855 38.000 -0.077 0.000 1.233 273 I HN 0.425 nan 8.210 nan 0.000 0.431 274 R N 2.216 122.720 120.500 0.007 0.000 2.060 274 R HA 0.147 4.489 4.340 0.003 0.000 0.206 274 R C 0.223 176.479 176.300 -0.074 0.000 1.226 274 R CA 0.081 56.169 56.100 -0.021 0.000 1.002 274 R CB -0.227 30.104 30.300 0.051 0.000 0.791 274 R HN 0.479 nan 8.270 nan 0.000 0.489 275 E N 0.748 120.957 120.200 0.015 0.000 2.384 275 E HA -0.038 4.314 4.350 0.003 0.000 0.266 275 E C -0.169 176.477 176.600 0.078 0.000 1.012 275 E CA 0.283 56.714 56.400 0.052 0.000 0.901 275 E CB 0.368 30.122 29.700 0.090 0.000 0.967 275 E HN 0.240 nan 8.360 nan 0.000 0.435 276 F N 3.688 123.666 119.950 0.048 0.000 2.664 276 F HA 0.148 4.676 4.527 0.002 0.000 0.296 276 F C -0.925 174.878 175.800 0.004 0.000 1.125 276 F CA -0.869 57.146 58.000 0.025 0.000 1.444 276 F CB 0.305 39.315 39.000 0.017 0.000 1.114 276 F HN 0.450 nan 8.300 nan 0.000 0.576 277 P HA -0.008 nan 4.420 nan 0.000 0.238 277 P C -0.474 176.893 177.300 0.112 0.000 1.714 277 P CA 0.110 63.282 63.100 0.121 0.000 0.908 277 P CB -0.394 31.360 31.700 0.090 0.000 1.893 278 L N 1.589 122.892 121.223 0.133 0.000 3.176 278 L HA -0.192 4.149 4.340 0.003 0.000 0.334 278 L C 0.432 177.347 176.870 0.074 0.000 1.074 278 L CA 1.388 56.267 54.840 0.066 0.000 0.865 278 L CB -0.574 41.451 42.059 -0.057 0.000 1.320 278 L HN 0.374 nan 8.230 nan 0.000 0.553 279 Q N 2.009 121.900 119.800 0.151 0.000 2.331 279 Q HA 0.389 4.731 4.340 0.003 0.000 0.272 279 Q C -0.364 175.797 176.000 0.267 0.000 1.062 279 Q CA -0.578 55.328 55.803 0.171 0.000 0.806 279 Q CB 1.592 30.408 28.738 0.130 0.000 1.312 279 Q HN 0.418 nan 8.270 nan 0.000 0.431 280 T N 1.543 116.244 114.554 0.246 0.000 3.268 280 T HA 0.120 4.471 4.350 0.003 0.000 0.258 280 T C 0.050 174.839 174.700 0.148 0.000 0.966 280 T CA -0.208 62.047 62.100 0.259 0.000 0.952 280 T CB 0.091 69.127 68.868 0.281 0.000 1.132 280 T HN 0.580 nan 8.240 nan 0.000 0.536 281 E N 1.803 122.075 120.200 0.121 0.000 3.541 281 E HA 0.089 4.441 4.350 0.003 0.000 0.521 281 E C -0.768 175.862 176.600 0.050 0.000 0.390 281 E CA 0.033 56.478 56.400 0.075 0.000 3.173 281 E CB -1.642 28.098 29.700 0.067 0.000 2.100 281 E HN 0.257 nan 8.360 nan 0.000 0.407 282 P HA -0.124 nan 4.420 nan 0.000 0.217 282 P C -0.118 177.171 177.300 -0.020 0.000 1.148 282 P CA 1.677 64.776 63.100 -0.002 0.000 0.834 282 P CB 0.092 31.787 31.700 -0.010 0.000 0.783 283 R N -4.903 115.606 120.500 0.014 0.000 2.833 283 R HA 0.340 4.681 4.340 0.003 0.000 0.259 283 R C -3.404 172.946 176.300 0.084 0.000 1.047 283 R CA -1.785 54.326 56.100 0.019 0.000 0.916 283 R CB -0.567 29.688 30.300 -0.076 0.000 1.259 283 R HN -0.335 nan 8.270 nan 0.000 0.482 284 P HA -0.091 nan 4.420 nan 0.000 0.265 284 P C -0.325 177.065 177.300 0.150 0.000 1.167 284 P CA 0.142 63.291 63.100 0.081 0.000 0.760 284 P CB 0.409 31.824 31.700 -0.475 0.000 0.783 285 N N 1.798 120.710 118.700 0.352 0.000 2.279 285 N HA 0.022 4.764 4.740 0.003 0.000 0.226 285 N C -0.594 175.131 175.510 0.357 0.000 1.126 285 N CA -0.207 53.007 53.050 0.274 0.000 0.846 285 N CB -0.276 38.350 38.487 0.232 0.000 1.050 285 N HN 0.427 nan 8.380 nan 0.000 0.502 286 Y N -2.328 118.058 120.300 0.144 0.000 2.534 286 Y HA 0.496 5.048 4.550 0.003 0.000 0.345 286 Y C -0.888 175.099 175.900 0.145 0.000 1.031 286 Y CA -1.841 56.355 58.100 0.160 0.000 1.022 286 Y CB 0.484 39.067 38.460 0.205 0.000 1.292 286 Y HN -0.232 nan 8.280 nan 0.000 0.459 287 D N 3.111 123.595 120.400 0.140 0.000 2.412 287 D HA 0.192 4.834 4.640 0.003 0.000 0.257 287 D C -0.162 176.074 176.300 -0.106 0.000 1.217 287 D CA 0.931 54.913 54.000 -0.029 0.000 0.897 287 D CB 0.985 41.768 40.800 -0.029 0.000 1.132 287 D HN 0.753 nan 8.370 nan 0.000 0.493 288 T N -0.339 114.069 114.554 -0.243 0.000 2.893 288 T HA 0.204 4.555 4.350 0.003 0.000 0.291 288 T C 0.918 175.513 174.700 -0.175 0.000 1.028 288 T CA -0.908 61.070 62.100 -0.204 0.000 0.995 288 T CB 1.724 70.395 68.868 -0.328 0.000 1.051 288 T HN 0.170 nan 8.240 nan 0.000 0.470 289 F N 2.325 122.140 119.950 -0.226 0.000 2.573 289 F HA -0.357 4.172 4.527 0.003 0.000 0.294 289 F C 2.070 177.704 175.800 -0.277 0.000 1.256 289 F CA 3.086 60.960 58.000 -0.210 0.000 1.384 289 F CB -1.208 37.526 39.000 -0.443 0.000 0.838 289 F HN 0.877 nan 8.300 nan 0.000 0.584 290 A N -1.857 120.363 122.820 -1.001 0.000 1.982 290 A HA 0.329 4.651 4.320 0.003 0.000 0.217 290 A C 0.858 177.888 177.584 -0.925 0.000 1.457 290 A CA 1.089 52.489 52.037 -1.062 0.000 0.654 290 A CB -0.326 18.128 19.000 -0.911 0.000 1.150 290 A HN 0.529 nan 8.150 nan 0.000 0.509 291 F N -1.103 118.699 119.950 -0.247 0.000 2.769 291 F HA 0.251 4.780 4.527 0.003 0.000 0.341 291 F C -0.337 175.388 175.800 -0.124 0.000 1.279 291 F CA -0.704 57.194 58.000 -0.170 0.000 1.037 291 F CB 0.927 39.849 39.000 -0.131 0.000 1.333 291 F HN -0.075 nan 8.300 nan 0.000 0.505 292 V N 3.262 123.171 119.914 -0.009 0.000 2.276 292 V HA 0.109 4.231 4.120 0.003 0.000 0.249 292 V C -1.308 174.708 176.094 -0.130 0.000 1.160 292 V CA -1.139 61.126 62.300 -0.059 0.000 1.042 292 V CB 0.600 32.374 31.823 -0.081 0.000 1.224 292 V HN 0.014 nan 8.190 nan 0.000 0.496 293 P HA -0.261 nan 4.420 nan 0.000 0.221 293 P C 1.206 178.620 177.300 0.190 0.000 1.160 293 P CA 2.086 65.251 63.100 0.108 0.000 0.933 293 P CB -0.074 31.728 31.700 0.170 0.000 0.793 294 H N -3.175 115.942 119.070 0.077 0.000 2.574 294 H HA 0.260 4.818 4.556 0.003 0.000 0.277 294 H C 0.428 175.848 175.328 0.154 0.000 1.058 294 H CA 0.040 56.179 56.048 0.153 0.000 1.171 294 H CB -1.100 28.686 29.762 0.040 0.000 1.304 294 H HN 0.138 nan 8.280 nan 0.000 0.620 295 M N 2.347 121.880 119.600 -0.111 0.000 2.353 295 M HA 0.267 4.748 4.480 0.003 0.000 0.218 295 M C -2.865 173.389 176.300 -0.078 0.000 1.044 295 M CA -1.851 53.345 55.300 -0.173 0.000 0.615 295 M CB 2.096 34.426 32.600 -0.450 0.000 1.531 295 M HN 0.022 nan 8.290 nan 0.000 0.378 296 P HA 0.133 nan 4.420 nan 0.000 0.275 296 P C -0.953 176.475 177.300 0.213 0.000 1.228 296 P CA -0.182 62.986 63.100 0.114 0.000 0.786 296 P CB 1.189 32.873 31.700 -0.027 0.000 0.927 297 K N 2.010 122.530 120.400 0.200 0.000 2.154 297 K HA 0.286 4.607 4.320 0.003 0.000 0.264 297 K C -0.319 176.366 176.600 0.141 0.000 1.008 297 K CA -0.579 55.776 56.287 0.114 0.000 0.937 297 K CB 0.261 32.704 32.500 -0.094 0.000 1.002 297 K HN 0.260 nan 8.250 nan 0.000 0.469 298 L N 2.123 123.347 121.223 0.002 0.000 2.400 298 L HA 0.240 4.582 4.340 0.003 0.000 0.264 298 L C 0.439 177.292 176.870 -0.029 0.000 1.061 298 L CA 0.046 54.835 54.840 -0.085 0.000 0.799 298 L CB 0.876 42.806 42.059 -0.216 0.000 1.240 298 L HN 0.681 nan 8.230 nan 0.000 0.461 299 N N -0.798 117.872 118.700 -0.050 0.000 3.091 299 N HA 0.076 4.818 4.740 0.003 0.000 0.255 299 N C 0.168 175.597 175.510 -0.136 0.000 1.204 299 N CA -0.021 53.061 53.050 0.052 0.000 0.990 299 N CB 0.423 38.928 38.487 0.030 0.000 1.260 299 N HN 0.763 nan 8.380 nan 0.000 0.502 300 T N -1.377 113.034 114.554 -0.239 0.000 3.139 300 T HA -0.068 4.283 4.350 0.003 0.000 0.267 300 T C 1.518 176.106 174.700 -0.187 0.000 1.164 300 T CA 0.551 62.382 62.100 -0.448 0.000 1.075 300 T CB 0.095 68.508 68.868 -0.757 0.000 0.904 300 T HN 0.400 nan 8.240 nan 0.000 0.540 301 A N 0.733 123.512 122.820 -0.069 0.000 1.956 301 A HA 0.211 4.532 4.320 0.003 0.000 0.212 301 A C 1.016 178.588 177.584 -0.021 0.000 1.188 301 A CA -0.059 51.969 52.037 -0.014 0.000 0.675 301 A CB -0.597 18.410 19.000 0.012 0.000 0.845 301 A HN 0.653 nan 8.150 nan 0.000 0.455 302 H N 1.305 120.296 119.070 -0.131 0.000 2.928 302 H HA 0.123 4.681 4.556 0.003 0.000 0.338 302 H C -1.273 173.950 175.328 -0.176 0.000 1.047 302 H CA -0.535 55.419 56.048 -0.157 0.000 1.435 302 H CB 1.024 30.649 29.762 -0.228 0.000 1.428 302 H HN 0.077 nan 8.280 nan 0.000 0.590 303 P HA -0.205 nan 4.420 nan 0.000 0.216 303 P C 0.852 178.064 177.300 -0.147 0.000 1.150 303 P CA 1.254 64.193 63.100 -0.270 0.000 0.837 303 P CB 0.494 32.012 31.700 -0.304 0.000 0.786 304 E N -0.010 120.146 120.200 -0.074 0.000 2.008 304 E HA -0.074 4.277 4.350 0.003 0.000 0.191 304 E C 2.349 178.761 176.600 -0.313 0.000 0.986 304 E CA 0.704 57.070 56.400 -0.057 0.000 0.807 304 E CB -1.219 28.535 29.700 0.089 0.000 0.766 304 E HN -0.005 nan 8.360 nan 0.000 0.450 305 V N 2.368 121.846 119.914 -0.727 0.000 2.226 305 V HA -0.358 3.764 4.120 0.003 0.000 0.254 305 V C 2.608 178.539 176.094 -0.271 0.000 1.065 305 V CA 2.501 64.351 62.300 -0.749 0.000 1.039 305 V CB -0.676 30.748 31.823 -0.665 0.000 0.653 305 V HN 0.316 nan 8.190 nan 0.000 0.450 306 K N -0.416 119.887 120.400 -0.163 0.000 2.107 306 K HA -0.306 4.015 4.320 0.003 0.000 0.211 306 K C 2.400 179.061 176.600 0.100 0.000 1.049 306 K CA 2.399 58.729 56.287 0.072 0.000 0.927 306 K CB -0.216 32.338 32.500 0.090 0.000 0.714 306 K HN 0.398 nan 8.250 nan 0.000 0.452 307 R N -0.758 119.764 120.500 0.038 0.000 2.119 307 R HA -0.144 4.198 4.340 0.003 0.000 0.222 307 R C 2.234 178.606 176.300 0.119 0.000 1.088 307 R CA 1.042 57.184 56.100 0.070 0.000 0.984 307 R CB -0.289 30.050 30.300 0.065 0.000 0.884 307 R HN 0.258 nan 8.270 nan 0.000 0.447 308 Y N 1.301 121.587 120.300 -0.024 0.000 2.060 308 Y HA -0.202 4.350 4.550 0.003 0.000 0.276 308 Y C 1.848 177.742 175.900 -0.009 0.000 1.127 308 Y CA 1.834 59.968 58.100 0.056 0.000 1.104 308 Y CB -0.677 37.801 38.460 0.030 0.000 0.983 308 Y HN -0.030 nan 8.280 nan 0.000 0.483 309 L N -0.553 120.524 121.223 -0.243 0.000 2.043 309 L HA -0.277 4.065 4.340 0.003 0.000 0.212 309 L C 2.464 179.180 176.870 -0.257 0.000 1.075 309 L CA 1.211 55.689 54.840 -0.602 0.000 0.752 309 L CB -0.779 40.826 42.059 -0.757 0.000 0.891 309 L HN 0.299 nan 8.230 nan 0.000 0.432 310 L N -0.475 120.750 121.223 0.004 0.000 2.131 310 L HA -0.235 4.107 4.340 0.003 0.000 0.210 310 L C 2.138 179.037 176.870 0.047 0.000 1.092 310 L CA 1.695 56.566 54.840 0.052 0.000 0.759 310 L CB -0.625 41.451 42.059 0.028 0.000 0.903 310 L HN 0.246 nan 8.230 nan 0.000 0.435 311 D N -1.315 119.111 120.400 0.043 0.000 2.103 311 D HA -0.105 4.537 4.640 0.003 0.000 0.199 311 D C 2.355 178.753 176.300 0.163 0.000 0.978 311 D CA 1.217 55.293 54.000 0.127 0.000 0.829 311 D CB -0.092 40.815 40.800 0.178 0.000 0.981 311 D HN 0.121 nan 8.370 nan 0.000 0.464 312 V N 2.049 121.932 119.914 -0.052 0.000 2.231 312 V HA -0.320 3.802 4.120 0.003 0.000 0.248 312 V C 2.659 178.979 176.094 0.376 0.000 1.054 312 V CA 2.145 64.361 62.300 -0.141 0.000 1.015 312 V CB -1.018 30.547 31.823 -0.430 0.000 0.638 312 V HN 0.187 nan 8.190 nan 0.000 0.444 313 A N 0.565 123.569 122.820 0.305 0.000 1.927 313 A HA -0.299 4.023 4.320 0.003 0.000 0.220 313 A C 2.408 180.366 177.584 0.624 0.000 1.185 313 A CA 3.065 55.336 52.037 0.390 0.000 0.639 313 A CB -1.084 18.021 19.000 0.174 0.000 0.820 313 A HN 0.674 nan 8.150 nan 0.000 0.451 314 T N -3.207 111.568 114.554 0.368 0.000 2.896 314 T HA -0.097 4.255 4.350 0.003 0.000 0.263 314 T C 1.795 176.705 174.700 0.350 0.000 1.050 314 T CA 1.155 63.442 62.100 0.311 0.000 1.140 314 T CB -0.518 68.457 68.868 0.180 0.000 0.877 314 T HN 0.420 nan 8.240 nan 0.000 0.457 315 Y N 2.139 122.550 120.300 0.186 0.000 1.979 315 Y HA -0.234 4.317 4.550 0.003 0.000 0.262 315 Y C 1.628 177.565 175.900 0.062 0.000 1.142 315 Y CA 0.826 58.936 58.100 0.017 0.000 1.096 315 Y CB -1.167 37.182 38.460 -0.185 0.000 0.958 315 Y HN 0.301 nan 8.280 nan 0.000 0.484 316 W N 0.365 121.736 121.300 0.118 0.000 2.662 316 W HA -0.047 4.614 4.660 0.003 0.000 0.249 316 W C 1.887 178.467 176.519 0.102 0.000 1.251 316 W CA 0.563 57.968 57.345 0.101 0.000 1.277 316 W CB -0.564 29.046 29.460 0.249 0.000 1.140 316 W HN 0.093 nan 8.180 nan 0.000 0.645 317 I N -0.718 120.019 120.570 0.278 0.000 3.708 317 I HA 0.025 4.197 4.170 0.003 0.000 0.302 317 I C 2.061 178.239 176.117 0.103 0.000 1.255 317 I CA 0.414 61.826 61.300 0.188 0.000 1.362 317 I CB -0.055 38.082 38.000 0.229 0.000 1.100 317 I HN -0.119 nan 8.210 nan 0.000 0.434 318 R N 0.459 120.995 120.500 0.060 0.000 2.074 318 R HA 0.050 4.391 4.340 0.003 0.000 0.218 318 R C 1.959 178.195 176.300 -0.105 0.000 1.137 318 R CA 0.518 56.621 56.100 0.005 0.000 0.998 318 R CB -0.055 30.270 30.300 0.042 0.000 0.895 318 R HN 0.025 nan 8.270 nan 0.000 0.442 319 E N -0.026 120.013 120.200 -0.269 0.000 2.274 319 E HA -0.066 4.286 4.350 0.003 0.000 0.194 319 E C 0.825 176.883 176.600 -0.903 0.000 0.996 319 E CA 1.134 57.162 56.400 -0.621 0.000 0.840 319 E CB 0.223 29.363 29.700 -0.933 0.000 0.772 319 E HN 0.270 nan 8.360 nan 0.000 0.491 320 F N -0.762 119.182 119.950 -0.010 0.000 2.817 320 F HA 0.153 4.681 4.527 0.003 0.000 0.333 320 F C 0.311 176.155 175.800 0.074 0.000 1.085 320 F CA -0.356 57.678 58.000 0.058 0.000 1.170 320 F CB 0.499 39.570 39.000 0.119 0.000 1.066 320 F HN -0.181 nan 8.300 nan 0.000 0.564 321 D N 2.172 122.670 120.400 0.163 0.000 2.723 321 D HA -0.215 4.426 4.640 0.003 0.000 0.236 321 D C 0.207 176.623 176.300 0.193 0.000 1.138 321 D CA 0.633 54.711 54.000 0.130 0.000 0.676 321 D CB -1.047 39.797 40.800 0.074 0.000 1.069 321 D HN 0.497 nan 8.370 nan 0.000 0.430 322 I N -3.339 117.323 120.570 0.154 0.000 3.194 322 I HA 0.229 4.400 4.170 0.003 0.000 0.283 322 I C 0.796 176.967 176.117 0.089 0.000 1.199 322 I CA -0.004 61.344 61.300 0.081 0.000 1.328 322 I CB 0.671 38.616 38.000 -0.092 0.000 1.404 322 I HN -0.136 nan 8.210 nan 0.000 0.618 323 D N 2.531 123.001 120.400 0.116 0.000 2.395 323 D HA 0.300 4.941 4.640 0.003 0.000 0.213 323 D C 0.387 176.924 176.300 0.395 0.000 1.110 323 D CA 0.236 54.372 54.000 0.226 0.000 0.835 323 D CB 1.097 41.975 40.800 0.129 0.000 0.965 323 D HN 0.862 nan 8.370 nan 0.000 0.505 324 G N 0.520 109.432 108.800 0.187 0.000 2.498 324 G HA2 0.291 4.253 3.960 0.003 0.000 0.301 324 G HA3 0.291 4.253 3.960 0.003 0.000 0.301 324 G C -2.040 172.836 174.900 -0.040 0.000 1.577 324 G CA -0.992 44.231 45.100 0.205 0.000 0.868 324 G HN -0.023 nan 8.290 nan 0.000 0.599 325 W N 1.779 123.099 121.300 0.033 0.000 2.469 325 W HA 0.681 5.343 4.660 0.003 0.000 0.320 325 W C 0.504 176.831 176.519 -0.320 0.000 1.086 325 W CA -1.018 56.302 57.345 -0.042 0.000 1.211 325 W CB 1.867 31.430 29.460 0.172 0.000 1.298 325 W HN 0.351 nan 8.180 nan 0.000 0.525 326 R N 4.764 125.225 120.500 -0.064 0.000 2.239 326 R HA 0.337 4.679 4.340 0.003 0.000 0.332 326 R C -1.317 174.785 176.300 -0.330 0.000 0.988 326 R CA -0.560 55.279 56.100 -0.435 0.000 0.859 326 R CB 0.061 30.006 30.300 -0.592 0.000 1.148 326 R HN 0.684 nan 8.270 nan 0.000 0.482 327 L N 4.130 125.046 121.223 -0.512 0.000 2.295 327 L HA 0.240 4.581 4.340 0.003 0.000 0.288 327 L C 0.349 176.919 176.870 -0.501 0.000 1.079 327 L CA -0.555 53.952 54.840 -0.555 0.000 0.830 327 L CB 0.669 42.224 42.059 -0.839 0.000 1.200 327 L HN 0.438 nan 8.230 nan 0.000 0.438 328 D N 2.180 122.384 120.400 -0.327 0.000 2.351 328 D HA 0.236 4.877 4.640 0.003 0.000 0.251 328 D C 0.743 176.884 176.300 -0.266 0.000 1.137 328 D CA 0.066 53.900 54.000 -0.278 0.000 0.879 328 D CB 0.989 41.677 40.800 -0.187 0.000 1.181 328 D HN 0.308 nan 8.370 nan 0.000 0.448 329 V N 2.758 122.512 119.914 -0.267 0.000 4.112 329 V HA -0.353 3.769 4.120 0.003 0.000 0.233 329 V C 1.742 177.752 176.094 -0.140 0.000 0.458 329 V CA 1.037 63.228 62.300 -0.182 0.000 0.909 329 V CB -2.557 29.214 31.823 -0.086 0.000 0.963 329 V HN 0.746 nan 8.190 nan 0.000 1.260 330 A N 1.425 124.090 122.820 -0.259 0.000 1.958 330 A HA -0.274 4.048 4.320 0.003 0.000 0.221 330 A C 1.858 179.426 177.584 -0.026 0.000 1.178 330 A CA 2.544 54.487 52.037 -0.156 0.000 0.642 330 A CB -0.597 17.865 19.000 -0.896 0.000 0.816 330 A HN 1.185 nan 8.150 nan 0.000 0.453 331 N N 0.114 118.619 118.700 -0.326 0.000 2.513 331 N HA -0.144 4.598 4.740 0.003 0.000 0.187 331 N C 1.022 176.645 175.510 0.187 0.000 1.056 331 N CA 1.547 54.442 53.050 -0.259 0.000 0.907 331 N CB -0.507 37.786 38.487 -0.324 0.000 0.954 331 N HN 0.688 nan 8.380 nan 0.000 0.445 332 E N -0.505 119.781 120.200 0.144 0.000 2.465 332 E HA 0.215 4.567 4.350 0.003 0.000 0.191 332 E C -0.070 176.633 176.600 0.171 0.000 1.053 332 E CA -0.124 56.368 56.400 0.152 0.000 0.869 332 E CB 0.284 30.024 29.700 0.067 0.000 0.977 332 E HN 0.471 nan 8.360 nan 0.000 0.483 333 I N 1.448 122.191 120.570 0.289 0.000 2.607 333 I HA 0.094 4.266 4.170 0.003 0.000 0.305 333 I C -0.178 176.085 176.117 0.244 0.000 0.995 333 I CA -1.247 60.153 61.300 0.167 0.000 1.148 333 I CB 1.420 39.419 38.000 -0.000 0.000 1.323 333 I HN -0.041 nan 8.210 nan 0.000 0.461 334 D N 1.432 121.900 120.400 0.113 0.000 2.383 334 D HA 0.051 4.692 4.640 0.003 0.000 0.252 334 D C 0.691 177.144 176.300 0.254 0.000 1.166 334 D CA -0.143 53.986 54.000 0.215 0.000 0.879 334 D CB 0.644 41.529 40.800 0.142 0.000 1.164 334 D HN 0.423 nan 8.370 nan 0.000 0.462 335 H N 0.849 120.075 119.070 0.260 0.000 2.400 335 H HA -0.232 4.326 4.556 0.003 0.000 0.295 335 H C 1.715 177.137 175.328 0.156 0.000 1.118 335 H CA 1.921 58.126 56.048 0.260 0.000 1.256 335 H CB -0.167 29.642 29.762 0.079 0.000 1.365 335 H HN 0.522 nan 8.280 nan 0.000 0.502 336 Q N -0.030 119.903 119.800 0.223 0.000 2.077 336 Q HA -0.176 4.166 4.340 0.003 0.000 0.206 336 Q C 2.070 178.125 176.000 0.091 0.000 0.989 336 Q CA 1.710 57.590 55.803 0.128 0.000 0.853 336 Q CB -0.758 28.036 28.738 0.093 0.000 0.907 336 Q HN 0.523 nan 8.270 nan 0.000 0.418 337 F N -1.030 118.868 119.950 -0.086 0.000 2.126 337 F HA -0.195 4.334 4.527 0.003 0.000 0.299 337 F C 1.423 177.144 175.800 -0.133 0.000 1.096 337 F CA 1.730 59.610 58.000 -0.200 0.000 1.255 337 F CB -0.500 38.239 39.000 -0.436 0.000 0.997 337 F HN 0.212 nan 8.300 nan 0.000 0.479 338 W N 0.396 121.705 121.300 0.015 0.000 2.465 338 W HA -0.065 4.597 4.660 0.003 0.000 0.268 338 W C 2.461 178.930 176.519 -0.083 0.000 1.242 338 W CA 0.434 57.698 57.345 -0.135 0.000 1.248 338 W CB -0.192 29.081 29.460 -0.311 0.000 1.118 338 W HN -0.131 nan 8.180 nan 0.000 0.587 339 R N 0.367 120.950 120.500 0.139 0.000 2.062 339 R HA -0.073 4.269 4.340 0.003 0.000 0.226 339 R C 1.833 178.152 176.300 0.032 0.000 1.125 339 R CA 1.276 57.428 56.100 0.087 0.000 0.966 339 R CB -0.524 29.817 30.300 0.069 0.000 0.861 339 R HN 0.296 nan 8.270 nan 0.000 0.433 340 E N 0.396 120.568 120.200 -0.046 0.000 2.077 340 E HA -0.204 4.147 4.350 0.003 0.000 0.193 340 E C 1.746 178.279 176.600 -0.111 0.000 0.989 340 E CA 1.123 57.467 56.400 -0.093 0.000 0.800 340 E CB -0.216 29.396 29.700 -0.146 0.000 0.746 340 E HN 0.204 nan 8.360 nan 0.000 0.452 341 F N 2.315 122.053 119.950 -0.353 0.000 2.065 341 F HA -0.268 4.260 4.527 0.003 0.000 0.298 341 F C 2.565 178.353 175.800 -0.020 0.000 1.112 341 F CA 2.070 59.918 58.000 -0.253 0.000 1.212 341 F CB -0.078 38.778 39.000 -0.240 0.000 0.975 341 F HN -0.199 nan 8.300 nan 0.000 0.476 342 R N 0.249 120.883 120.500 0.223 0.000 2.105 342 R HA -0.205 4.137 4.340 0.003 0.000 0.239 342 R C 2.147 178.443 176.300 -0.007 0.000 1.135 342 R CA 2.037 58.215 56.100 0.131 0.000 0.967 342 R CB -0.491 29.902 30.300 0.154 0.000 0.861 342 R HN 0.481 nan 8.270 nan 0.000 0.442 343 Q N 0.081 119.870 119.800 -0.018 0.000 2.016 343 Q HA -0.099 4.242 4.340 0.003 0.000 0.200 343 Q C 2.336 178.305 176.000 -0.053 0.000 0.978 343 Q CA 1.580 57.367 55.803 -0.027 0.000 0.833 343 Q CB -0.210 28.516 28.738 -0.020 0.000 0.895 343 Q HN 0.486 nan 8.270 nan 0.000 0.427 344 A N 1.036 123.800 122.820 -0.094 0.000 1.869 344 A HA -0.240 4.082 4.320 0.003 0.000 0.218 344 A C 2.388 179.923 177.584 -0.082 0.000 1.203 344 A CA 2.434 54.417 52.037 -0.090 0.000 0.638 344 A CB -1.432 17.491 19.000 -0.128 0.000 0.831 344 A HN 0.350 nan 8.150 nan 0.000 0.450 345 V N -2.216 117.594 119.914 -0.173 0.000 2.214 345 V HA -0.258 3.863 4.120 0.003 0.000 0.245 345 V C 2.099 178.197 176.094 0.007 0.000 1.047 345 V CA 2.260 64.506 62.300 -0.090 0.000 0.998 345 V CB -1.164 30.534 31.823 -0.209 0.000 0.633 345 V HN 0.400 nan 8.190 nan 0.000 0.446 346 K N 1.281 121.686 120.400 0.008 0.000 2.160 346 K HA -0.104 4.218 4.320 0.003 0.000 0.206 346 K C 2.391 179.011 176.600 0.033 0.000 1.047 346 K CA 1.824 58.135 56.287 0.041 0.000 0.930 346 K CB -1.119 31.400 32.500 0.032 0.000 0.720 346 K HN 0.713 nan 8.250 nan 0.000 0.450 347 A N 1.028 123.858 122.820 0.016 0.000 1.930 347 A HA -0.085 4.237 4.320 0.003 0.000 0.217 347 A C 2.274 179.875 177.584 0.028 0.000 1.175 347 A CA 0.976 53.024 52.037 0.017 0.000 0.627 347 A CB -0.402 18.602 19.000 0.006 0.000 0.815 347 A HN 0.205 nan 8.150 nan 0.000 0.443 348 L N -1.884 119.360 121.223 0.035 0.000 2.095 348 L HA 0.086 4.427 4.340 0.003 0.000 0.204 348 L C 0.972 177.875 176.870 0.055 0.000 1.080 348 L CA 1.113 55.981 54.840 0.047 0.000 0.759 348 L CB 0.140 42.236 42.059 0.062 0.000 0.914 348 L HN 0.328 nan 8.230 nan 0.000 0.439 349 K N -1.041 119.402 120.400 0.072 0.000 2.740 349 K HA 0.216 4.538 4.320 0.003 0.000 0.246 349 K C -2.221 174.443 176.600 0.107 0.000 1.021 349 K CA -1.427 54.911 56.287 0.085 0.000 1.021 349 K CB 1.802 34.361 32.500 0.099 0.000 1.233 349 K HN -0.257 nan 8.250 nan 0.000 0.497 350 P HA -0.194 nan 4.420 nan 0.000 0.216 350 P C 0.091 177.484 177.300 0.156 0.000 1.157 350 P CA 1.203 64.363 63.100 0.100 0.000 0.880 350 P CB 0.242 31.988 31.700 0.077 0.000 0.791 351 D N -1.094 119.434 120.400 0.213 0.000 2.403 351 D HA -0.043 4.598 4.640 0.003 0.000 0.227 351 D C 0.233 176.815 176.300 0.469 0.000 0.995 351 D CA 0.420 54.654 54.000 0.390 0.000 0.928 351 D CB -0.537 40.538 40.800 0.457 0.000 0.887 351 D HN 0.058 nan 8.370 nan 0.000 0.529 352 V N 2.162 122.272 119.914 0.326 0.000 2.493 352 V HA -0.178 3.944 4.120 0.003 0.000 0.292 352 V C 0.263 176.593 176.094 0.393 0.000 1.016 352 V CA -0.237 62.280 62.300 0.362 0.000 1.097 352 V CB -0.349 31.639 31.823 0.274 0.000 0.947 352 V HN 0.100 nan 8.190 nan 0.000 0.479 353 Y N 6.529 126.997 120.300 0.279 0.000 2.359 353 Y HA 0.403 4.954 4.550 0.003 0.000 0.334 353 Y C 0.306 176.275 175.900 0.114 0.000 1.058 353 Y CA -1.510 56.649 58.100 0.098 0.000 1.244 353 Y CB 0.654 39.154 38.460 0.067 0.000 1.187 353 Y HN 0.522 nan 8.280 nan 0.000 0.510 354 I N 8.933 129.591 120.570 0.147 0.000 2.442 354 I HA 0.122 4.293 4.170 0.003 0.000 0.279 354 I C -1.003 174.932 176.117 -0.303 0.000 1.081 354 I CA -0.837 60.510 61.300 0.079 0.000 1.197 354 I CB 0.580 38.773 38.000 0.322 0.000 1.394 354 I HN 0.368 nan 8.210 nan 0.000 0.488 355 L N 5.750 126.524 121.223 -0.749 0.000 2.264 355 L HA 0.758 5.100 4.340 0.003 0.000 0.289 355 L C 0.313 176.611 176.870 -0.952 0.000 1.044 355 L CA 0.148 54.393 54.840 -0.993 0.000 0.807 355 L CB 1.086 42.246 42.059 -1.499 0.000 1.192 355 L HN 0.411 nan 8.230 nan 0.000 0.425 356 G N 4.988 113.099 108.800 -1.150 0.000 2.412 356 G HA2 0.442 4.404 3.960 0.003 0.000 0.318 356 G HA3 0.442 4.404 3.960 0.003 0.000 0.318 356 G C -1.062 173.260 174.900 -0.964 0.000 1.146 356 G CA -0.685 43.495 45.100 -1.534 0.000 0.882 356 G HN 0.664 nan 8.290 nan 0.000 0.501 357 L N 2.703 123.442 121.223 -0.806 0.000 2.314 357 L HA 0.556 4.897 4.340 0.003 0.000 0.275 357 L C -0.865 175.725 176.870 -0.467 0.000 1.068 357 L CA -0.314 54.238 54.840 -0.479 0.000 0.894 357 L CB -0.390 41.455 42.059 -0.356 0.000 1.275 357 L HN 0.324 nan 8.230 nan 0.000 0.432 358 I N 3.379 123.696 120.570 -0.422 0.000 2.447 358 I HA 0.132 4.304 4.170 0.003 0.000 0.287 358 I C -0.024 175.950 176.117 -0.239 0.000 1.023 358 I CA -0.598 60.418 61.300 -0.473 0.000 1.083 358 I CB 2.092 39.705 38.000 -0.646 0.000 1.245 358 I HN 0.541 nan 8.210 nan 0.000 0.434 359 W N 4.635 125.588 121.300 -0.579 0.000 2.423 359 W HA -0.076 4.585 4.660 0.003 0.000 0.321 359 W C 1.815 178.185 176.519 -0.248 0.000 1.180 359 W CA 1.426 58.522 57.345 -0.415 0.000 1.322 359 W CB -0.470 28.730 29.460 -0.432 0.000 1.174 359 W HN 0.625 nan 8.180 nan 0.000 0.470 360 H N -0.549 118.629 119.070 0.180 0.000 2.041 360 H HA -0.009 4.549 4.556 0.003 0.000 0.357 360 H C 0.031 175.451 175.328 0.154 0.000 2.137 360 H CA 0.097 56.225 56.048 0.133 0.000 1.356 360 H CB -0.959 28.900 29.762 0.162 0.000 1.591 360 H HN -0.146 nan 8.280 nan 0.000 0.486 361 D N -0.817 119.870 120.400 0.478 0.000 2.451 361 D HA 0.111 4.753 4.640 0.003 0.000 0.254 361 D C 0.143 176.803 176.300 0.600 0.000 1.204 361 D CA 0.589 54.825 54.000 0.394 0.000 0.896 361 D CB 0.014 40.952 40.800 0.230 0.000 1.136 361 D HN 0.727 nan 8.370 nan 0.000 0.499 362 A N 5.315 128.489 122.820 0.590 0.000 2.507 362 A HA 0.053 4.374 4.320 0.003 0.000 0.270 362 A C 1.822 179.847 177.584 0.736 0.000 1.318 362 A CA -0.374 52.063 52.037 0.667 0.000 0.924 362 A CB -0.279 18.901 19.000 0.299 0.000 1.061 362 A HN 0.595 nan 8.150 nan 0.000 0.516 363 M N 0.841 120.807 119.600 0.611 0.000 2.082 363 M HA -0.102 4.380 4.480 0.003 0.000 0.258 363 M C -0.776 175.699 176.300 0.291 0.000 1.071 363 M CA 1.623 57.177 55.300 0.424 0.000 1.103 363 M CB -1.994 30.738 32.600 0.219 0.000 1.307 363 M HN 0.123 nan 8.290 nan 0.000 0.409 364 P HA -0.215 nan 4.420 nan 0.000 0.219 364 P C 1.051 178.281 177.300 -0.116 0.000 1.145 364 P CA 1.418 64.413 63.100 -0.175 0.000 0.813 364 P CB -0.304 31.030 31.700 -0.609 0.000 0.771 365 W N -2.251 119.213 121.300 0.274 0.000 3.107 365 W HA 0.296 4.957 4.660 0.002 0.000 0.293 365 W C 0.655 177.293 176.519 0.198 0.000 1.239 365 W CA 0.080 57.542 57.345 0.194 0.000 1.653 365 W CB 0.044 29.656 29.460 0.254 0.000 1.068 365 W HN -0.083 nan 8.180 nan 0.000 0.615 366 L N 1.431 122.898 121.223 0.408 0.000 2.978 366 L HA 0.241 4.583 4.340 0.003 0.000 0.239 366 L C 1.652 178.692 176.870 0.283 0.000 1.293 366 L CA -0.028 55.017 54.840 0.342 0.000 1.085 366 L CB -0.156 41.969 42.059 0.110 0.000 1.432 366 L HN -0.201 nan 8.230 nan 0.000 0.512 367 R N 0.341 121.018 120.500 0.296 0.000 2.300 367 R HA 0.220 4.562 4.340 0.003 0.000 0.199 367 R C 1.357 177.880 176.300 0.371 0.000 0.920 367 R CA 0.746 56.996 56.100 0.250 0.000 1.046 367 R CB 0.547 30.937 30.300 0.150 0.000 0.984 367 R HN 0.503 nan 8.270 nan 0.000 0.493 368 G N 2.230 111.303 108.800 0.455 0.000 2.179 368 G HA2 -0.224 3.738 3.960 0.003 0.000 0.220 368 G HA3 -0.224 3.738 3.960 0.003 0.000 0.220 368 G C 0.330 175.257 174.900 0.045 0.000 0.990 368 G CA 0.344 45.568 45.100 0.206 0.000 0.646 368 G HN 0.479 nan 8.290 nan 0.000 0.517 369 D N -0.345 120.109 120.400 0.090 0.000 2.395 369 D HA 0.228 4.870 4.640 0.003 0.000 0.213 369 D C 1.228 177.557 176.300 0.049 0.000 1.110 369 D CA 0.587 54.621 54.000 0.057 0.000 0.835 369 D CB 0.231 41.070 40.800 0.064 0.000 0.965 369 D HN 0.569 nan 8.370 nan 0.000 0.505 370 Q N -0.886 118.931 119.800 0.028 0.000 1.749 370 Q HA 0.260 4.602 4.340 0.003 0.000 0.148 370 Q C -0.555 175.361 176.000 -0.141 0.000 0.429 370 Q CA -0.504 55.243 55.803 -0.094 0.000 0.698 370 Q CB 0.652 29.277 28.738 -0.189 0.000 0.863 370 Q HN -0.013 nan 8.270 nan 0.000 0.272 371 F N 2.021 122.010 119.950 0.066 0.000 2.371 371 F HA 0.180 4.709 4.527 0.003 0.000 0.329 371 F C 1.067 176.872 175.800 0.009 0.000 1.107 371 F CA -0.548 57.420 58.000 -0.053 0.000 1.137 371 F CB 0.489 39.375 39.000 -0.189 0.000 1.214 371 F HN 0.219 nan 8.300 nan 0.000 0.536 372 D N 0.586 121.102 120.400 0.193 0.000 2.289 372 D HA 0.300 4.941 4.640 0.003 0.000 0.207 372 D C 0.515 176.983 176.300 0.280 0.000 0.966 372 D CA 0.863 54.944 54.000 0.136 0.000 0.868 372 D CB 0.541 41.449 40.800 0.180 0.000 0.943 372 D HN 0.492 nan 8.370 nan 0.000 0.514 373 A N -0.672 122.236 122.820 0.147 0.000 2.410 373 A HA 0.525 4.846 4.320 0.003 0.000 0.300 373 A C -1.651 175.827 177.584 -0.176 0.000 1.077 373 A CA -0.587 51.478 52.037 0.047 0.000 0.610 373 A CB 0.755 19.836 19.000 0.135 0.000 1.371 373 A HN -0.080 nan 8.150 nan 0.000 0.510 374 V N -1.734 118.064 119.914 -0.193 0.000 3.147 374 V HA 0.602 4.724 4.120 0.003 0.000 0.306 374 V C -0.078 175.927 176.094 -0.148 0.000 1.209 374 V CA -1.099 61.036 62.300 -0.275 0.000 1.023 374 V CB 1.862 33.535 31.823 -0.251 0.000 1.059 374 V HN 0.890 nan 8.190 nan 0.000 0.435 375 M N 2.860 122.384 119.600 -0.127 0.000 2.390 375 M HA 0.078 4.560 4.480 0.003 0.000 0.353 375 M C 0.650 176.933 176.300 -0.029 0.000 1.623 375 M CA 0.469 55.767 55.300 -0.003 0.000 1.065 375 M CB -0.844 31.825 32.600 0.115 0.000 2.025 375 M HN 0.813 nan 8.290 nan 0.000 0.461 376 N N 2.882 121.532 118.700 -0.082 0.000 3.167 376 N HA -0.058 4.683 4.740 0.003 0.000 0.318 376 N C 0.525 175.941 175.510 -0.157 0.000 1.268 376 N CA 0.209 53.206 53.050 -0.089 0.000 1.197 376 N CB -0.302 38.138 38.487 -0.077 0.000 1.464 376 N HN 0.427 nan 8.380 nan 0.000 0.555 377 Y N 0.604 120.793 120.300 -0.185 0.000 2.384 377 Y HA -0.087 4.465 4.550 0.003 0.000 0.289 377 Y C -0.379 175.315 175.900 -0.344 0.000 1.152 377 Y CA 1.134 59.030 58.100 -0.340 0.000 1.258 377 Y CB -0.583 37.449 38.460 -0.713 0.000 0.979 377 Y HN 0.435 nan 8.280 nan 0.000 0.549 378 P HA -0.169 nan 4.420 nan 0.000 0.218 378 P C 1.845 179.103 177.300 -0.070 0.000 1.152 378 P CA 1.278 64.325 63.100 -0.089 0.000 0.826 378 P CB -0.086 31.604 31.700 -0.018 0.000 0.790 379 L N -1.010 120.172 121.223 -0.069 0.000 2.217 379 L HA 0.064 4.405 4.340 0.003 0.000 0.211 379 L C 2.326 179.173 176.870 -0.039 0.000 1.107 379 L CA 1.527 56.323 54.840 -0.072 0.000 0.783 379 L CB -0.778 41.208 42.059 -0.121 0.000 0.919 379 L HN -0.142 nan 8.230 nan 0.000 0.442 380 A N -0.185 122.583 122.820 -0.087 0.000 1.930 380 A HA -0.247 4.074 4.320 0.003 0.000 0.217 380 A C 1.896 179.459 177.584 -0.036 0.000 1.175 380 A CA 1.706 53.695 52.037 -0.080 0.000 0.627 380 A CB -0.735 18.154 19.000 -0.186 0.000 0.815 380 A HN 0.589 nan 8.150 nan 0.000 0.443 381 D N -0.110 120.256 120.400 -0.057 0.000 2.097 381 D HA -0.054 4.588 4.640 0.003 0.000 0.195 381 D C 2.086 178.389 176.300 0.004 0.000 0.989 381 D CA 1.682 55.655 54.000 -0.046 0.000 0.827 381 D CB -0.187 40.554 40.800 -0.099 0.000 0.966 381 D HN 0.329 nan 8.370 nan 0.000 0.456 382 A N 0.750 123.590 122.820 0.034 0.000 1.845 382 A HA -0.000 4.321 4.320 0.003 0.000 0.215 382 A C 2.417 180.112 177.584 0.185 0.000 1.195 382 A CA 2.635 54.751 52.037 0.132 0.000 0.616 382 A CB -1.402 17.668 19.000 0.117 0.000 0.832 382 A HN 0.321 nan 8.150 nan 0.000 0.443 383 A N -0.136 122.808 122.820 0.207 0.000 1.859 383 A HA -0.213 4.108 4.320 0.003 0.000 0.218 383 A C 2.213 179.844 177.584 0.078 0.000 1.209 383 A CA 1.953 54.058 52.037 0.114 0.000 0.639 383 A CB -1.043 18.058 19.000 0.168 0.000 0.835 383 A HN 0.523 nan 8.150 nan 0.000 0.450 384 L N -1.465 119.790 121.223 0.053 0.000 2.013 384 L HA -0.269 4.073 4.340 0.003 0.000 0.212 384 L C 2.932 179.797 176.870 -0.009 0.000 1.073 384 L CA 1.701 56.554 54.840 0.020 0.000 0.753 384 L CB -0.610 41.449 42.059 -0.000 0.000 0.890 384 L HN 0.338 nan 8.230 nan 0.000 0.432 385 R N -0.418 120.077 120.500 -0.007 0.000 2.112 385 R HA -0.237 4.105 4.340 0.003 0.000 0.242 385 R C 2.269 178.527 176.300 -0.069 0.000 1.137 385 R CA 2.126 58.214 56.100 -0.020 0.000 0.944 385 R CB -0.997 29.311 30.300 0.013 0.000 0.857 385 R HN 0.285 nan 8.270 nan 0.000 0.435 386 F N 0.052 119.789 119.950 -0.356 0.000 2.113 386 F HA -0.141 4.388 4.527 0.003 0.000 0.297 386 F C 1.918 177.344 175.800 -0.624 0.000 1.103 386 F CA 1.405 59.018 58.000 -0.646 0.000 1.248 386 F CB -0.342 37.828 39.000 -1.384 0.000 0.999 386 F HN -0.111 nan 8.300 nan 0.000 0.475 387 F N -0.125 119.598 119.950 -0.379 0.000 2.188 387 F HA 0.177 4.705 4.527 0.003 0.000 0.289 387 F C 2.438 178.094 175.800 -0.240 0.000 1.082 387 F CA 1.054 58.838 58.000 -0.360 0.000 1.282 387 F CB -1.429 37.456 39.000 -0.191 0.000 1.060 387 F HN 0.014 nan 8.300 nan 0.000 0.493 388 A N 0.398 123.229 122.820 0.019 0.000 1.831 388 A HA -0.073 4.249 4.320 0.003 0.000 0.213 388 A C 2.179 179.724 177.584 -0.066 0.000 1.223 388 A CA 1.130 53.145 52.037 -0.036 0.000 0.604 388 A CB -0.585 18.395 19.000 -0.032 0.000 0.878 388 A HN 0.149 nan 8.150 nan 0.000 0.450 389 K N -0.511 119.851 120.400 -0.065 0.000 2.211 389 K HA -0.065 4.257 4.320 0.003 0.000 0.203 389 K C -0.341 176.206 176.600 -0.089 0.000 1.050 389 K CA 0.941 57.189 56.287 -0.064 0.000 0.945 389 K CB -0.155 32.318 32.500 -0.046 0.000 0.732 389 K HN 0.621 nan 8.250 nan 0.000 0.451 390 E N 1.051 121.162 120.200 -0.147 0.000 2.389 390 E HA -0.196 4.156 4.350 0.003 0.000 0.243 390 E C -0.203 176.313 176.600 -0.139 0.000 1.154 390 E CA 0.333 56.610 56.400 -0.206 0.000 0.723 390 E CB -0.796 28.811 29.700 -0.154 0.000 1.261 390 E HN 0.361 nan 8.360 nan 0.000 0.390 391 D N 0.264 120.604 120.400 -0.100 0.000 2.162 391 D HA -0.001 4.640 4.640 0.003 0.000 0.252 391 D C 1.419 177.695 176.300 -0.040 0.000 1.095 391 D CA 0.679 54.645 54.000 -0.056 0.000 0.928 391 D CB -0.260 40.520 40.800 -0.033 0.000 0.989 391 D HN 0.343 nan 8.370 nan 0.000 0.401 392 M N 1.132 120.730 119.600 -0.002 0.000 2.235 392 M HA 0.034 4.515 4.480 0.003 0.000 0.316 392 M C 0.541 176.904 176.300 0.105 0.000 1.035 392 M CA -0.070 55.255 55.300 0.041 0.000 1.084 392 M CB 0.158 32.795 32.600 0.061 0.000 1.529 392 M HN 0.003 nan 8.290 nan 0.000 0.440 393 S N 2.183 117.937 115.700 0.090 0.000 2.661 393 S HA 0.591 5.063 4.470 0.003 0.000 0.265 393 S C 1.115 175.837 174.600 0.204 0.000 1.225 393 S CA -0.487 57.790 58.200 0.129 0.000 0.986 393 S CB 1.112 64.339 63.200 0.046 0.000 1.008 393 S HN 0.895 nan 8.310 nan 0.000 0.565 394 A N 0.688 123.642 122.820 0.223 0.000 2.070 394 A HA 0.031 4.352 4.320 0.003 0.000 0.220 394 A C 2.184 179.722 177.584 -0.076 0.000 1.159 394 A CA 1.602 53.664 52.037 0.042 0.000 0.656 394 A CB -1.297 17.798 19.000 0.158 0.000 0.800 394 A HN 0.736 nan 8.150 nan 0.000 0.453 395 S N -0.281 115.401 115.700 -0.030 0.000 2.325 395 S HA -0.097 4.375 4.470 0.003 0.000 0.214 395 S C 1.767 176.300 174.600 -0.111 0.000 1.031 395 S CA 1.083 59.241 58.200 -0.071 0.000 0.972 395 S CB -0.390 62.787 63.200 -0.037 0.000 0.908 395 S HN 0.698 nan 8.310 nan 0.000 0.453 396 E N 0.435 120.598 120.200 -0.063 0.000 2.147 396 E HA -0.218 4.133 4.350 0.003 0.000 0.199 396 E C 1.744 178.286 176.600 -0.097 0.000 1.005 396 E CA 1.317 57.678 56.400 -0.065 0.000 0.810 396 E CB -0.261 29.427 29.700 -0.021 0.000 0.736 396 E HN 0.443 nan 8.360 nan 0.000 0.460 397 F N 1.355 121.110 119.950 -0.326 0.000 2.060 397 F HA -0.102 4.427 4.527 0.003 0.000 0.295 397 F C 2.318 177.784 175.800 -0.556 0.000 1.120 397 F CA 1.429 59.127 58.000 -0.503 0.000 1.205 397 F CB -0.744 37.676 39.000 -0.966 0.000 0.986 397 F HN -0.062 nan 8.300 nan 0.000 0.470 398 A N -0.067 122.320 122.820 -0.721 0.000 2.032 398 A HA -0.215 4.107 4.320 0.003 0.000 0.221 398 A C 1.933 179.135 177.584 -0.636 0.000 1.165 398 A CA 2.141 53.535 52.037 -1.072 0.000 0.645 398 A CB -0.957 17.592 19.000 -0.751 0.000 0.807 398 A HN 0.522 nan 8.150 nan 0.000 0.453 399 D N -0.896 119.285 120.400 -0.364 0.000 2.107 399 D HA -0.078 4.563 4.640 0.003 0.000 0.204 399 D C 2.086 178.298 176.300 -0.146 0.000 0.978 399 D CA 1.316 55.203 54.000 -0.189 0.000 0.852 399 D CB -0.466 40.258 40.800 -0.126 0.000 1.008 399 D HN 0.286 nan 8.370 nan 0.000 0.458 400 R N 0.701 121.102 120.500 -0.164 0.000 2.140 400 R HA -0.174 4.168 4.340 0.003 0.000 0.250 400 R C 2.150 178.389 176.300 -0.101 0.000 1.150 400 R CA 0.948 56.992 56.100 -0.092 0.000 0.966 400 R CB -0.946 29.290 30.300 -0.107 0.000 0.869 400 R HN 0.097 nan 8.270 nan 0.000 0.445 401 L N -0.495 120.544 121.223 -0.306 0.000 2.012 401 L HA -0.140 4.202 4.340 0.003 0.000 0.210 401 L C 2.132 179.002 176.870 -0.001 0.000 1.073 401 L CA 1.845 56.539 54.840 -0.243 0.000 0.748 401 L CB -0.604 41.133 42.059 -0.535 0.000 0.891 401 L HN 0.278 nan 8.230 nan 0.000 0.431 402 M N -1.852 117.752 119.600 0.006 0.000 2.229 402 M HA -0.191 4.290 4.480 0.003 0.000 0.264 402 M C 2.291 178.688 176.300 0.162 0.000 1.063 402 M CA 1.363 56.757 55.300 0.156 0.000 1.114 402 M CB -1.313 31.367 32.600 0.133 0.000 1.387 402 M HN 0.377 nan 8.290 nan 0.000 0.420 403 H N 0.078 119.161 119.070 0.021 0.000 2.299 403 H HA -0.073 4.485 4.556 0.003 0.000 0.302 403 H C 2.045 177.352 175.328 -0.035 0.000 1.078 403 H CA 2.276 58.334 56.048 0.015 0.000 1.323 403 H CB -0.271 29.508 29.762 0.028 0.000 1.381 403 H HN 0.078 nan 8.280 nan 0.000 0.498 404 V N -0.008 119.853 119.914 -0.089 0.000 2.343 404 V HA -0.181 3.940 4.120 0.003 0.000 0.247 404 V C 2.245 178.271 176.094 -0.113 0.000 1.051 404 V CA 1.958 64.170 62.300 -0.146 0.000 1.036 404 V CB -0.716 31.110 31.823 0.006 0.000 0.654 404 V HN 0.393 nan 8.190 nan 0.000 0.451 405 L N 0.325 121.536 121.223 -0.019 0.000 1.989 405 L HA -0.159 4.183 4.340 0.003 0.000 0.211 405 L C 2.670 179.425 176.870 -0.192 0.000 1.071 405 L CA 2.386 57.213 54.840 -0.022 0.000 0.749 405 L CB -1.147 40.928 42.059 0.027 0.000 0.890 405 L HN 0.469 nan 8.230 nan 0.000 0.431 406 H N -1.859 117.012 119.070 -0.331 0.000 2.563 406 H HA 0.039 4.596 4.556 0.003 0.000 0.272 406 H C 2.022 177.019 175.328 -0.553 0.000 1.005 406 H CA 0.971 56.704 56.048 -0.524 0.000 1.171 406 H CB 0.188 29.337 29.762 -1.022 0.000 1.351 406 H HN 0.397 nan 8.280 nan 0.000 0.602 407 S N -0.373 115.045 115.700 -0.470 0.000 2.593 407 S HA 0.030 4.501 4.470 0.003 0.000 0.217 407 S C -0.062 174.130 174.600 -0.680 0.000 0.966 407 S CA -0.277 57.555 58.200 -0.613 0.000 0.914 407 S CB -0.004 62.739 63.200 -0.763 0.000 0.776 407 S HN 0.108 nan 8.310 nan 0.000 0.523 408 Y N 0.925 121.074 120.300 -0.251 0.000 2.638 408 Y HA 0.632 5.183 4.550 0.003 0.000 0.339 408 Y C -2.722 172.964 175.900 -0.356 0.000 1.084 408 Y CA -2.712 55.229 58.100 -0.265 0.000 1.068 408 Y CB 1.206 39.528 38.460 -0.230 0.000 1.294 408 Y HN -0.071 nan 8.280 nan 0.000 0.480 409 P HA 0.151 nan 4.420 nan 0.000 0.284 409 P C 0.119 177.140 177.300 -0.465 0.000 1.253 409 P CA -0.349 62.209 63.100 -0.902 0.000 0.800 409 P CB 2.002 32.670 31.700 -1.721 0.000 0.961 410 K N 3.224 123.544 120.400 -0.133 0.000 2.023 410 K HA -0.271 4.051 4.320 0.003 0.000 0.227 410 K C 1.914 178.546 176.600 0.052 0.000 1.054 410 K CA 2.563 58.884 56.287 0.058 0.000 0.977 410 K CB -0.466 32.171 32.500 0.227 0.000 0.733 410 K HN 0.508 nan 8.250 nan 0.000 0.451 411 Q N 0.311 120.197 119.800 0.143 0.000 2.576 411 Q HA -0.119 4.222 4.340 0.003 0.000 0.218 411 Q C 1.637 177.568 176.000 -0.116 0.000 0.983 411 Q CA 1.306 57.111 55.803 0.004 0.000 0.920 411 Q CB -0.024 28.619 28.738 -0.158 0.000 0.973 411 Q HN 0.322 nan 8.270 nan 0.000 0.528 412 V N 1.593 121.329 119.914 -0.298 0.000 2.725 412 V HA -0.125 3.997 4.120 0.003 0.000 0.247 412 V C 1.761 177.735 176.094 -0.201 0.000 1.058 412 V CA 1.242 63.301 62.300 -0.402 0.000 1.080 412 V CB -0.239 31.212 31.823 -0.622 0.000 0.713 412 V HN 0.391 nan 8.190 nan 0.000 0.465 413 N N 0.325 118.947 118.700 -0.130 0.000 2.171 413 N HA -0.127 4.615 4.740 0.003 0.000 0.184 413 N C 1.713 177.216 175.510 -0.012 0.000 1.021 413 N CA 1.127 54.144 53.050 -0.054 0.000 0.854 413 N CB -0.232 38.250 38.487 -0.009 0.000 0.994 413 N HN 0.547 nan 8.380 nan 0.000 0.426 414 E N 0.823 121.020 120.200 -0.005 0.000 2.187 414 E HA -0.161 4.191 4.350 0.003 0.000 0.199 414 E C 1.067 177.673 176.600 0.010 0.000 1.004 414 E CA 1.293 57.699 56.400 0.010 0.000 0.813 414 E CB -0.062 29.653 29.700 0.025 0.000 0.736 414 E HN 0.362 nan 8.360 nan 0.000 0.468 415 A N 0.632 123.462 122.820 0.018 0.000 2.348 415 A HA 0.442 4.763 4.320 0.003 0.000 0.224 415 A C 0.864 178.505 177.584 0.096 0.000 1.227 415 A CA 0.169 52.220 52.037 0.023 0.000 0.885 415 A CB 0.250 19.268 19.000 0.030 0.000 0.933 415 A HN 0.180 nan 8.150 nan 0.000 0.506 416 A N -0.420 122.437 122.820 0.062 0.000 2.520 416 A HA 0.388 4.710 4.320 0.003 0.000 0.235 416 A C -0.288 177.391 177.584 0.159 0.000 1.065 416 A CA 0.090 52.167 52.037 0.066 0.000 0.764 416 A CB -0.329 18.673 19.000 0.003 0.000 1.002 416 A HN 0.543 nan 8.150 nan 0.000 0.502 417 F N 2.438 122.364 119.950 -0.039 0.000 2.377 417 F HA 0.226 4.754 4.527 0.003 0.000 0.360 417 F C 0.270 176.016 175.800 -0.090 0.000 1.147 417 F CA -0.619 57.344 58.000 -0.062 0.000 1.170 417 F CB 0.033 38.919 39.000 -0.189 0.000 1.339 417 F HN 0.622 nan 8.300 nan 0.000 0.552 418 N N 7.737 126.286 118.700 -0.253 0.000 2.415 418 N HA 0.294 5.036 4.740 0.003 0.000 0.250 418 N C -0.641 174.655 175.510 -0.357 0.000 1.127 418 N CA -0.389 52.517 53.050 -0.240 0.000 0.945 418 N CB 0.629 39.041 38.487 -0.126 0.000 1.196 418 N HN 0.553 nan 8.380 nan 0.000 0.499 419 L N -0.536 120.477 121.223 -0.350 0.000 2.304 419 L HA 0.595 4.937 4.340 0.003 0.000 0.268 419 L C -0.028 176.691 176.870 -0.252 0.000 1.010 419 L CA -0.886 53.770 54.840 -0.307 0.000 0.813 419 L CB 1.307 43.196 42.059 -0.284 0.000 1.315 419 L HN 0.387 nan 8.230 nan 0.000 0.445 420 L N 0.145 121.250 121.223 -0.197 0.000 2.948 420 L HA 0.535 4.877 4.340 0.003 0.000 0.259 420 L C 0.666 177.436 176.870 -0.165 0.000 1.136 420 L CA 0.346 55.081 54.840 -0.175 0.000 0.959 420 L CB 1.086 43.035 42.059 -0.182 0.000 1.370 420 L HN 0.937 nan 8.230 nan 0.000 0.552 421 G N -0.622 108.076 108.800 -0.169 0.000 2.660 421 G HA2 0.566 4.528 3.960 0.003 0.000 0.290 421 G HA3 0.566 4.528 3.960 0.003 0.000 0.290 421 G C -1.194 173.524 174.900 -0.302 0.000 1.432 421 G CA 0.320 45.293 45.100 -0.211 0.000 0.807 421 G HN -0.017 nan 8.290 nan 0.000 0.485 422 S N -1.798 113.591 115.700 -0.518 0.000 2.929 422 S HA 0.454 4.926 4.470 0.003 0.000 0.311 422 S C 0.424 174.449 174.600 -0.957 0.000 1.213 422 S CA 0.075 57.892 58.200 -0.638 0.000 0.908 422 S CB 0.865 63.853 63.200 -0.354 0.000 1.287 422 S HN 1.233 nan 8.310 nan 0.000 0.594 423 H N -0.576 118.339 119.070 -0.258 0.000 2.533 423 H HA 0.472 5.029 4.556 0.003 0.000 0.271 423 H C 0.169 175.495 175.328 -0.003 0.000 1.000 423 H CA 0.334 56.376 56.048 -0.010 0.000 1.149 423 H CB -0.277 29.717 29.762 0.386 0.000 1.375 423 H HN 0.454 nan 8.280 nan 0.000 0.582 424 D N 0.681 120.913 120.400 -0.280 0.000 2.422 424 D HA 0.010 4.652 4.640 0.003 0.000 0.218 424 D C 0.537 176.784 176.300 -0.088 0.000 1.047 424 D CA 0.833 54.753 54.000 -0.134 0.000 0.885 424 D CB 0.474 41.161 40.800 -0.187 0.000 1.035 424 D HN 0.468 nan 8.370 nan 0.000 0.502 425 T N 0.621 115.103 114.554 -0.120 0.000 2.867 425 T HA 0.435 4.787 4.350 0.003 0.000 0.282 425 T C -2.706 171.937 174.700 -0.094 0.000 1.000 425 T CA -1.923 60.140 62.100 -0.062 0.000 1.042 425 T CB 2.158 71.019 68.868 -0.011 0.000 0.973 425 T HN -0.217 nan 8.240 nan 0.000 0.465 426 P HA 0.039 nan 4.420 nan 0.000 0.266 426 P C -0.101 177.164 177.300 -0.058 0.000 1.195 426 P CA -0.364 62.711 63.100 -0.043 0.000 0.768 426 P CB 0.519 32.205 31.700 -0.022 0.000 0.838 427 R N 2.397 122.870 120.500 -0.045 0.000 2.522 427 R HA 0.021 4.362 4.340 0.003 0.000 0.284 427 R C 1.542 177.815 176.300 -0.045 0.000 1.032 427 R CA -0.426 55.652 56.100 -0.037 0.000 1.049 427 R CB -0.123 30.165 30.300 -0.019 0.000 0.956 427 R HN 0.387 nan 8.270 nan 0.000 0.422 428 L N 3.364 124.552 121.223 -0.059 0.000 1.991 428 L HA -0.303 4.039 4.340 0.003 0.000 0.221 428 L C 2.331 179.165 176.870 -0.059 0.000 1.079 428 L CA 1.599 56.392 54.840 -0.078 0.000 0.778 428 L CB -1.341 40.643 42.059 -0.125 0.000 0.893 428 L HN 0.570 nan 8.230 nan 0.000 0.437 429 L N -0.439 120.760 121.223 -0.041 0.000 2.064 429 L HA -0.280 4.062 4.340 0.003 0.000 0.216 429 L C 2.710 179.555 176.870 -0.043 0.000 1.077 429 L CA 2.715 57.533 54.840 -0.036 0.000 0.766 429 L CB -1.238 40.809 42.059 -0.020 0.000 0.890 429 L HN 0.689 nan 8.230 nan 0.000 0.435 430 T N -4.885 109.646 114.554 -0.039 0.000 2.857 430 T HA -0.083 4.269 4.350 0.003 0.000 0.266 430 T C 1.802 176.478 174.700 -0.040 0.000 1.048 430 T CA 1.182 63.260 62.100 -0.037 0.000 1.139 430 T CB -0.949 67.901 68.868 -0.031 0.000 0.874 430 T HN 0.124 nan 8.240 nan 0.000 0.455 431 V N 0.720 120.609 119.914 -0.042 0.000 3.078 431 V HA -0.044 4.078 4.120 0.003 0.000 0.265 431 V C 2.412 178.476 176.094 -0.050 0.000 1.122 431 V CA 0.869 63.144 62.300 -0.041 0.000 1.141 431 V CB -0.950 30.848 31.823 -0.041 0.000 0.735 431 V HN 0.659 nan 8.190 nan 0.000 0.498 432 C N 0.662 119.926 119.300 -0.060 0.000 2.754 432 C HA 0.499 4.961 4.460 0.003 0.000 0.276 432 C C 1.958 176.900 174.990 -0.079 0.000 1.264 432 C CA 0.027 58.999 59.018 -0.077 0.000 1.700 432 C CB -1.070 26.616 27.740 -0.090 0.000 1.885 432 C HN 0.775 nan 8.230 nan 0.000 0.607 433 G N 0.663 109.427 108.800 -0.061 0.000 2.179 433 G HA2 -0.016 3.946 3.960 0.003 0.000 0.257 433 G HA3 -0.016 3.946 3.960 0.003 0.000 0.257 433 G C 0.900 175.765 174.900 -0.058 0.000 1.010 433 G CA 0.535 45.602 45.100 -0.055 0.000 0.736 433 G HN 1.547 nan 8.290 nan 0.000 0.513 434 G N -0.889 107.875 108.800 -0.059 0.000 2.137 434 G HA2 -0.187 3.775 3.960 0.003 0.000 0.237 434 G HA3 -0.187 3.775 3.960 0.003 0.000 0.237 434 G C 0.045 174.904 174.900 -0.069 0.000 1.002 434 G CA 0.847 45.914 45.100 -0.055 0.000 0.702 434 G HN 1.251 nan 8.290 nan 0.000 0.515 435 D N 0.990 121.333 120.400 -0.095 0.000 2.524 435 D HA 0.420 5.062 4.640 0.003 0.000 0.222 435 D C 1.894 178.118 176.300 -0.127 0.000 1.142 435 D CA -0.068 53.854 54.000 -0.131 0.000 0.973 435 D CB 0.539 41.215 40.800 -0.208 0.000 1.025 435 D HN 0.086 nan 8.370 nan 0.000 0.519 436 V N 3.988 123.852 119.914 -0.083 0.000 2.613 436 V HA -0.333 3.788 4.120 0.003 0.000 0.259 436 V C 2.429 178.474 176.094 -0.082 0.000 1.099 436 V CA 1.730 63.994 62.300 -0.060 0.000 1.115 436 V CB -0.634 31.167 31.823 -0.037 0.000 0.686 436 V HN 0.489 nan 8.190 nan 0.000 0.481 437 R N 0.390 120.822 120.500 -0.114 0.000 2.070 437 R HA -0.156 4.186 4.340 0.003 0.000 0.233 437 R C 2.444 178.673 176.300 -0.120 0.000 1.137 437 R CA 1.637 57.675 56.100 -0.104 0.000 0.945 437 R CB -0.426 29.791 30.300 -0.138 0.000 0.845 437 R HN 0.508 nan 8.270 nan 0.000 0.430 438 K N 0.524 120.801 120.400 -0.204 0.000 2.020 438 K HA -0.148 4.174 4.320 0.003 0.000 0.212 438 K C 2.190 178.712 176.600 -0.130 0.000 1.050 438 K CA 1.690 57.889 56.287 -0.148 0.000 0.929 438 K CB -0.478 31.921 32.500 -0.169 0.000 0.714 438 K HN -0.031 nan 8.250 nan 0.000 0.443 439 V N 2.903 122.751 119.914 -0.110 0.000 2.233 439 V HA -0.381 3.740 4.120 0.003 0.000 0.252 439 V C 2.376 178.455 176.094 -0.025 0.000 1.063 439 V CA 2.495 64.748 62.300 -0.078 0.000 1.032 439 V CB -0.716 31.107 31.823 0.000 0.000 0.645 439 V HN 0.477 nan 8.190 nan 0.000 0.446 440 K N 0.054 120.434 120.400 -0.034 0.000 2.160 440 K HA -0.187 4.135 4.320 0.003 0.000 0.206 440 K C 2.101 178.625 176.600 -0.128 0.000 1.047 440 K CA 1.898 58.129 56.287 -0.094 0.000 0.930 440 K CB -0.572 31.558 32.500 -0.617 0.000 0.720 440 K HN 0.397 nan 8.250 nan 0.000 0.450 441 L N 1.135 122.221 121.223 -0.229 0.000 2.046 441 L HA -0.147 4.195 4.340 0.003 0.000 0.208 441 L C 2.600 179.153 176.870 -0.530 0.000 1.077 441 L CA 1.063 55.681 54.840 -0.371 0.000 0.747 441 L CB -0.415 41.468 42.059 -0.293 0.000 0.896 441 L HN 0.225 nan 8.230 nan 0.000 0.432 442 L N -1.426 119.504 121.223 -0.489 0.000 1.989 442 L HA -0.267 4.075 4.340 0.003 0.000 0.211 442 L C 2.620 179.391 176.870 -0.167 0.000 1.071 442 L CA 1.534 56.122 54.840 -0.420 0.000 0.749 442 L CB -0.636 41.214 42.059 -0.349 0.000 0.890 442 L HN 0.137 nan 8.230 nan 0.000 0.431 443 F N -0.154 119.748 119.950 -0.079 0.000 2.126 443 F HA -0.280 4.249 4.527 0.003 0.000 0.299 443 F C 2.338 178.113 175.800 -0.041 0.000 1.096 443 F CA 1.481 59.467 58.000 -0.023 0.000 1.255 443 F CB -0.734 38.284 39.000 0.031 0.000 0.997 443 F HN -0.006 nan 8.300 nan 0.000 0.479 444 L N -0.459 120.827 121.223 0.105 0.000 1.971 444 L HA -0.259 4.083 4.340 0.003 0.000 0.215 444 L C 2.276 179.221 176.870 0.126 0.000 1.072 444 L CA 1.838 56.675 54.840 -0.005 0.000 0.758 444 L CB -1.315 40.614 42.059 -0.215 0.000 0.889 444 L HN 0.154 nan 8.230 nan 0.000 0.433 445 F N 0.475 120.432 119.950 0.011 0.000 2.026 445 F HA -0.308 4.221 4.527 0.003 0.000 0.296 445 F C 2.774 178.703 175.800 0.215 0.000 1.133 445 F CA 2.407 60.535 58.000 0.215 0.000 1.188 445 F CB -0.891 38.214 39.000 0.174 0.000 0.968 445 F HN 0.436 nan 8.300 nan 0.000 0.476 446 Q N 0.343 120.181 119.800 0.062 0.000 2.133 446 Q HA -0.223 4.118 4.340 0.003 0.000 0.208 446 Q C 1.833 177.820 176.000 -0.023 0.000 0.991 446 Q CA 2.268 58.041 55.803 -0.051 0.000 0.867 446 Q CB -0.454 28.300 28.738 0.028 0.000 0.911 446 Q HN 0.625 nan 8.270 nan 0.000 0.417 447 L N 0.018 121.268 121.223 0.045 0.000 2.591 447 L HA 0.055 4.397 4.340 0.003 0.000 0.228 447 L C 1.182 178.070 176.870 0.031 0.000 1.133 447 L CA 0.337 55.203 54.840 0.043 0.000 0.880 447 L CB 0.224 42.309 42.059 0.044 0.000 1.033 447 L HN 0.213 nan 8.230 nan 0.000 0.450 448 T N -1.306 113.269 114.554 0.036 0.000 2.971 448 T HA 0.142 4.494 4.350 0.003 0.000 0.252 448 T C 0.221 174.949 174.700 0.047 0.000 1.022 448 T CA -0.121 62.026 62.100 0.078 0.000 0.980 448 T CB 0.153 69.141 68.868 0.201 0.000 1.044 448 T HN -0.071 nan 8.240 nan 0.000 0.501 449 F N 2.715 122.521 119.950 -0.240 0.000 2.384 449 F HA 0.352 4.881 4.527 0.003 0.000 0.338 449 F C 0.710 176.416 175.800 -0.156 0.000 1.103 449 F CA -0.536 57.287 58.000 -0.294 0.000 1.157 449 F CB 0.871 39.542 39.000 -0.547 0.000 1.167 449 F HN -0.155 nan 8.300 nan 0.000 0.529 450 T N 3.580 117.976 114.554 -0.262 0.000 2.916 450 T HA 0.544 4.896 4.350 0.003 0.000 0.303 450 T C 0.372 175.105 174.700 0.056 0.000 1.025 450 T CA 0.537 62.576 62.100 -0.101 0.000 1.142 450 T CB 0.566 69.331 68.868 -0.172 0.000 0.947 450 T HN 1.022 nan 8.240 nan 0.000 0.544 451 G N 1.087 109.917 108.800 0.049 0.000 2.356 451 G HA2 0.326 4.288 3.960 0.003 0.000 0.266 451 G HA3 0.326 4.288 3.960 0.003 0.000 0.266 451 G C -0.963 173.980 174.900 0.071 0.000 1.312 451 G CA -0.411 44.730 45.100 0.069 0.000 0.922 451 G HN 0.704 nan 8.290 nan 0.000 0.480 452 S N 2.602 118.359 115.700 0.094 0.000 2.399 452 S HA 0.637 5.108 4.470 0.003 0.000 0.215 452 S C -2.338 172.303 174.600 0.068 0.000 1.456 452 S CA -0.899 57.409 58.200 0.179 0.000 1.199 452 S CB 1.089 64.498 63.200 0.348 0.000 1.063 452 S HN 0.599 nan 8.310 nan 0.000 0.476 453 P HA 0.158 nan 4.420 nan 0.000 0.269 453 P C -0.507 176.760 177.300 -0.055 0.000 1.217 453 P CA -0.252 62.811 63.100 -0.061 0.000 0.783 453 P CB 0.594 32.308 31.700 0.023 0.000 0.898 454 C N 4.103 123.313 119.300 -0.150 0.000 2.599 454 C HA 0.534 4.996 4.460 0.003 0.000 0.354 454 C C -0.253 174.799 174.990 0.103 0.000 1.092 454 C CA -0.675 58.339 59.018 -0.007 0.000 1.280 454 C CB -0.779 26.766 27.740 -0.325 0.000 1.829 454 C HN 0.440 nan 8.230 nan 0.000 0.454 455 I N 5.314 126.024 120.570 0.233 0.000 2.396 455 I HA 0.245 4.416 4.170 0.003 0.000 0.292 455 I C -0.500 175.712 176.117 0.158 0.000 0.999 455 I CA -0.496 60.968 61.300 0.275 0.000 1.310 455 I CB 0.960 39.211 38.000 0.418 0.000 1.404 455 I HN 0.624 nan 8.210 nan 0.000 0.496 456 Y N 7.682 127.987 120.300 0.009 0.000 2.350 456 Y HA 0.192 4.744 4.550 0.003 0.000 0.340 456 Y C 0.031 175.838 175.900 -0.154 0.000 1.006 456 Y CA -1.194 56.864 58.100 -0.070 0.000 1.166 456 Y CB 0.268 38.705 38.460 -0.038 0.000 1.168 456 Y HN 0.445 nan 8.280 nan 0.000 0.502 457 Y N 5.296 125.092 120.300 -0.840 0.000 3.036 457 Y HA 0.203 4.755 4.550 0.003 0.000 0.354 457 Y C 1.020 176.739 175.900 -0.301 0.000 1.267 457 Y CA 0.563 58.323 58.100 -0.566 0.000 1.606 457 Y CB -0.199 37.976 38.460 -0.474 0.000 1.164 457 Y HN 0.967 nan 8.280 nan 0.000 0.587 458 G N 3.031 111.745 108.800 -0.143 0.000 2.399 458 G HA2 -0.352 3.610 3.960 0.003 0.000 0.216 458 G HA3 -0.352 3.610 3.960 0.003 0.000 0.216 458 G C 0.819 175.696 174.900 -0.037 0.000 1.096 458 G CA 0.233 45.195 45.100 -0.230 0.000 0.650 458 G HN 0.607 nan 8.290 nan 0.000 0.512 459 D N 1.718 122.137 120.400 0.032 0.000 2.228 459 D HA -0.006 4.636 4.640 0.003 0.000 0.203 459 D C 2.243 178.737 176.300 0.323 0.000 0.988 459 D CA 1.692 55.811 54.000 0.198 0.000 0.864 459 D CB -0.125 40.839 40.800 0.274 0.000 0.928 459 D HN 0.730 nan 8.370 nan 0.000 0.469 460 E N 0.374 120.744 120.200 0.282 0.000 2.152 460 E HA -0.102 4.250 4.350 0.003 0.000 0.192 460 E C 1.707 178.420 176.600 0.189 0.000 0.983 460 E CA 0.549 57.047 56.400 0.163 0.000 0.818 460 E CB -0.478 29.307 29.700 0.141 0.000 0.758 460 E HN 0.435 nan 8.360 nan 0.000 0.467 461 I N -2.188 118.497 120.570 0.192 0.000 3.891 461 I HA 0.485 4.657 4.170 0.003 0.000 0.331 461 I C 0.992 177.145 176.117 0.060 0.000 1.406 461 I CA -0.292 61.087 61.300 0.130 0.000 1.139 461 I CB -0.071 37.971 38.000 0.071 0.000 1.056 461 I HN 0.052 nan 8.210 nan 0.000 0.399 462 G N 1.579 110.428 108.800 0.081 0.000 2.359 462 G HA2 -0.287 3.674 3.960 0.003 0.000 0.298 462 G HA3 -0.287 3.674 3.960 0.003 0.000 0.298 462 G C 0.150 175.046 174.900 -0.006 0.000 1.030 462 G CA 0.448 45.577 45.100 0.049 0.000 1.149 462 G HN 0.456 nan 8.290 nan 0.000 0.512 463 M N -0.578 119.000 119.600 -0.036 0.000 2.036 463 M HA 0.540 5.021 4.480 0.003 0.000 0.276 463 M C 1.141 177.408 176.300 -0.055 0.000 1.262 463 M CA 0.916 56.170 55.300 -0.077 0.000 1.097 463 M CB 0.771 33.284 32.600 -0.145 0.000 1.386 463 M HN 0.463 nan 8.290 nan 0.000 0.482 464 T N -1.181 113.337 114.554 -0.061 0.000 2.838 464 T HA 0.794 5.146 4.350 0.003 0.000 0.292 464 T C -0.936 173.740 174.700 -0.041 0.000 1.113 464 T CA 0.012 62.085 62.100 -0.045 0.000 1.008 464 T CB 1.864 70.707 68.868 -0.042 0.000 1.259 464 T HN 1.071 nan 8.240 nan 0.000 0.520 465 G N -0.310 108.472 108.800 -0.030 0.000 2.653 465 G HA2 0.429 4.390 3.960 0.003 0.000 0.656 465 G HA3 0.429 4.390 3.960 0.003 0.000 0.656 465 G C 0.041 174.931 174.900 -0.017 0.000 1.419 465 G CA 0.019 45.107 45.100 -0.021 0.000 0.862 465 G HN 1.093 nan 8.290 nan 0.000 0.639 466 G N 0.809 109.603 108.800 -0.011 0.000 2.735 466 G HA2 0.477 4.438 3.960 0.003 0.000 0.192 466 G HA3 0.477 4.438 3.960 0.003 0.000 0.192 466 G C 0.609 175.505 174.900 -0.007 0.000 1.547 466 G CA -0.232 44.862 45.100 -0.010 0.000 1.080 466 G HN 0.810 nan 8.290 nan 0.000 0.569 467 N N 0.859 119.558 118.700 -0.002 0.000 2.297 467 N HA 0.006 4.748 4.740 0.003 0.000 0.232 467 N C 0.059 175.576 175.510 0.012 0.000 1.311 467 N CA -0.137 52.914 53.050 0.001 0.000 0.897 467 N CB 0.233 38.723 38.487 0.005 0.000 1.137 467 N HN 0.393 nan 8.380 nan 0.000 0.449 468 D N 1.065 121.476 120.400 0.018 0.000 2.658 468 D HA -0.056 4.586 4.640 0.003 0.000 0.230 468 D C -1.653 174.673 176.300 0.044 0.000 1.118 468 D CA -0.333 53.691 54.000 0.041 0.000 0.848 468 D CB 0.540 41.374 40.800 0.058 0.000 1.160 468 D HN 0.317 nan 8.370 nan 0.000 0.497 469 P HA 0.173 nan 4.420 nan 0.000 0.262 469 P C 0.465 177.780 177.300 0.025 0.000 1.651 469 P CA -0.185 62.942 63.100 0.045 0.000 1.119 469 P CB 0.590 32.328 31.700 0.062 0.000 1.552 470 E N 0.481 120.694 120.200 0.022 0.000 2.051 470 E HA -0.135 4.217 4.350 0.003 0.000 0.192 470 E C 1.603 178.206 176.600 0.004 0.000 0.991 470 E CA 1.735 58.142 56.400 0.012 0.000 0.799 470 E CB -0.696 29.008 29.700 0.006 0.000 0.748 470 E HN 0.458 nan 8.360 nan 0.000 0.449 471 C N 0.405 119.714 119.300 0.014 0.000 2.514 471 C HA 0.169 4.631 4.460 0.003 0.000 0.289 471 C C 1.456 176.516 174.990 0.117 0.000 1.458 471 C CA -0.409 58.641 59.018 0.053 0.000 1.669 471 C CB -1.570 26.177 27.740 0.011 0.000 1.613 471 C HN 0.110 nan 8.230 nan 0.000 0.594 472 R N 0.366 120.875 120.500 0.016 0.000 2.700 472 R HA 0.232 4.573 4.340 0.003 0.000 0.399 472 R C -0.130 176.147 176.300 -0.039 0.000 1.115 472 R CA -0.191 55.870 56.100 -0.065 0.000 1.058 472 R CB 0.253 30.349 30.300 -0.340 0.000 1.389 472 R HN 0.570 nan 8.270 nan 0.000 0.582 473 K N 0.661 121.045 120.400 -0.028 0.000 2.295 473 K HA 0.155 4.476 4.320 0.003 0.000 0.270 473 K C 0.138 176.688 176.600 -0.084 0.000 1.011 473 K CA -0.388 55.837 56.287 -0.103 0.000 0.953 473 K CB 0.884 33.323 32.500 -0.102 0.000 0.956 473 K HN 0.104 nan 8.250 nan 0.000 0.477 474 C N 2.477 121.625 119.300 -0.254 0.000 2.641 474 C HA -0.051 4.411 4.460 0.003 0.000 0.412 474 C C 0.894 175.836 174.990 -0.080 0.000 1.312 474 C CA -0.610 58.303 59.018 -0.175 0.000 1.838 474 C CB -0.707 26.848 27.740 -0.308 0.000 2.682 474 C HN 0.740 nan 8.230 nan 0.000 0.627 475 M N 3.294 122.871 119.600 -0.039 0.000 2.238 475 M HA 0.232 4.714 4.480 0.003 0.000 0.350 475 M C -0.391 175.584 176.300 -0.542 0.000 1.321 475 M CA 0.344 55.478 55.300 -0.276 0.000 1.097 475 M CB 0.401 32.714 32.600 -0.479 0.000 1.713 475 M HN 0.507 nan 8.290 nan 0.000 0.455 476 V N 7.497 127.088 119.914 -0.538 0.000 2.405 476 V HA 0.035 4.157 4.120 0.003 0.000 0.264 476 V C -0.050 175.683 176.094 -0.602 0.000 1.048 476 V CA 0.130 62.179 62.300 -0.418 0.000 0.966 476 V CB -0.418 31.250 31.823 -0.258 0.000 1.015 476 V HN 1.050 nan 8.190 nan 0.000 0.477 477 W N 1.010 122.214 121.300 -0.161 0.000 3.220 477 W HA 0.245 4.906 4.660 0.003 0.000 0.328 477 W C 0.769 177.214 176.519 -0.123 0.000 1.205 477 W CA -0.530 56.704 57.345 -0.184 0.000 1.773 477 W CB 0.451 29.811 29.460 -0.166 0.000 1.086 477 W HN 0.511 nan 8.180 nan 0.000 0.622 478 D N 0.832 121.261 120.400 0.049 0.000 2.352 478 D HA 0.083 4.724 4.640 0.003 0.000 0.245 478 D C -1.500 174.794 176.300 -0.010 0.000 1.224 478 D CA -2.026 51.989 54.000 0.026 0.000 0.879 478 D CB 1.298 42.103 40.800 0.008 0.000 1.057 478 D HN -0.163 nan 8.370 nan 0.000 0.491 479 P HA -0.216 nan 4.420 nan 0.000 0.218 479 P C 0.981 178.264 177.300 -0.028 0.000 1.150 479 P CA 1.101 64.186 63.100 -0.024 0.000 0.841 479 P CB 0.277 31.967 31.700 -0.016 0.000 0.784 480 E N -0.557 119.631 120.200 -0.020 0.000 2.072 480 E HA -0.188 4.164 4.350 0.003 0.000 0.191 480 E C 1.499 178.083 176.600 -0.026 0.000 0.985 480 E CA 1.002 57.390 56.400 -0.020 0.000 0.801 480 E CB -0.108 29.584 29.700 -0.014 0.000 0.750 480 E HN -0.100 nan 8.360 nan 0.000 0.452 481 K N 0.943 121.323 120.400 -0.034 0.000 2.500 481 K HA 0.047 4.368 4.320 0.003 0.000 0.206 481 K C -0.965 175.604 176.600 -0.052 0.000 1.034 481 K CA -0.125 56.136 56.287 -0.043 0.000 1.179 481 K CB 0.262 32.733 32.500 -0.048 0.000 0.884 481 K HN 0.150 nan 8.250 nan 0.000 0.493 482 Q N -0.150 119.621 119.800 -0.048 0.000 2.309 482 Q HA 0.293 4.634 4.340 0.003 0.000 0.270 482 Q C -0.873 175.118 176.000 -0.015 0.000 1.023 482 Q CA -0.839 54.937 55.803 -0.045 0.000 0.758 482 Q CB 0.892 29.583 28.738 -0.078 0.000 1.247 482 Q HN -0.124 nan 8.270 nan 0.000 0.455 483 N N 2.855 121.560 118.700 0.007 0.000 2.348 483 N HA -0.123 4.619 4.740 0.003 0.000 0.286 483 N C 0.440 175.988 175.510 0.063 0.000 1.371 483 N CA 0.355 53.423 53.050 0.030 0.000 0.966 483 N CB 0.819 39.329 38.487 0.038 0.000 1.356 483 N HN 0.650 nan 8.380 nan 0.000 0.490 484 K N 3.211 123.635 120.400 0.040 0.000 2.211 484 K HA -0.122 4.200 4.320 0.003 0.000 0.203 484 K C 1.592 178.266 176.600 0.123 0.000 1.050 484 K CA 1.245 57.564 56.287 0.053 0.000 0.945 484 K CB 0.023 32.527 32.500 0.007 0.000 0.732 484 K HN 0.657 nan 8.250 nan 0.000 0.451 485 E N -0.442 119.813 120.200 0.092 0.000 2.072 485 E HA -0.176 4.176 4.350 0.003 0.000 0.191 485 E C 1.784 178.459 176.600 0.125 0.000 0.985 485 E CA 0.936 57.394 56.400 0.096 0.000 0.801 485 E CB -0.084 29.650 29.700 0.056 0.000 0.750 485 E HN 0.238 nan 8.360 nan 0.000 0.452 486 L N 0.364 121.652 121.223 0.109 0.000 2.027 486 L HA -0.148 4.194 4.340 0.003 0.000 0.206 486 L C 2.301 179.236 176.870 0.108 0.000 1.074 486 L CA 1.790 56.690 54.840 0.100 0.000 0.745 486 L CB -0.861 41.251 42.059 0.089 0.000 0.898 486 L HN 0.283 nan 8.230 nan 0.000 0.433 487 Y N 0.488 120.788 120.300 0.001 0.000 2.053 487 Y HA -0.332 4.219 4.550 0.003 0.000 0.277 487 Y C 2.574 178.449 175.900 -0.042 0.000 1.159 487 Y CA 2.263 60.346 58.100 -0.029 0.000 1.125 487 Y CB -0.355 38.123 38.460 0.030 0.000 0.969 487 Y HN 0.310 nan 8.280 nan 0.000 0.492 488 E N -0.745 119.643 120.200 0.313 0.000 2.209 488 E HA -0.234 4.118 4.350 0.003 0.000 0.196 488 E C 1.965 178.583 176.600 0.031 0.000 0.993 488 E CA 1.628 58.132 56.400 0.172 0.000 0.819 488 E CB -0.462 29.353 29.700 0.193 0.000 0.745 488 E HN 0.765 nan 8.360 nan 0.000 0.477 489 H N -0.990 118.051 119.070 -0.048 0.000 2.268 489 H HA -0.001 4.557 4.556 0.003 0.000 0.304 489 H C 1.914 177.135 175.328 -0.179 0.000 1.064 489 H CA 2.121 58.129 56.048 -0.066 0.000 1.316 489 H CB -0.399 29.343 29.762 -0.034 0.000 1.386 489 H HN 0.035 nan 8.280 nan 0.000 0.496 490 V N 1.283 120.975 119.914 -0.370 0.000 2.380 490 V HA -0.291 3.831 4.120 0.003 0.000 0.251 490 V C 2.541 178.362 176.094 -0.456 0.000 1.063 490 V CA 2.311 64.265 62.300 -0.577 0.000 1.055 490 V CB -0.659 30.688 31.823 -0.793 0.000 0.657 490 V HN 0.466 nan 8.190 nan 0.000 0.455 491 K N 0.537 120.672 120.400 -0.442 0.000 2.057 491 K HA -0.260 4.062 4.320 0.003 0.000 0.207 491 K C 2.269 178.722 176.600 -0.244 0.000 1.049 491 K CA 1.976 58.031 56.287 -0.386 0.000 0.931 491 K CB -0.148 32.092 32.500 -0.435 0.000 0.714 491 K HN 0.757 nan 8.250 nan 0.000 0.440 492 Q N -0.171 119.506 119.800 -0.204 0.000 2.389 492 Q HA -0.080 4.262 4.340 0.003 0.000 0.204 492 Q C 1.794 177.709 176.000 -0.141 0.000 0.944 492 Q CA 0.445 56.169 55.803 -0.133 0.000 0.908 492 Q CB 0.067 28.758 28.738 -0.078 0.000 1.002 492 Q HN 0.181 nan 8.270 nan 0.000 0.493 493 L N 0.861 121.946 121.223 -0.230 0.000 2.209 493 L HA 0.102 4.443 4.340 0.003 0.000 0.207 493 L C 2.008 178.803 176.870 -0.125 0.000 1.094 493 L CA 1.101 55.821 54.840 -0.200 0.000 0.790 493 L CB -0.238 41.622 42.059 -0.331 0.000 0.932 493 L HN 0.267 nan 8.230 nan 0.000 0.447 494 I N -0.831 119.648 120.570 -0.151 0.000 2.202 494 I HA -0.240 3.932 4.170 0.003 0.000 0.242 494 I C 2.379 178.451 176.117 -0.074 0.000 1.091 494 I CA 1.115 62.351 61.300 -0.106 0.000 1.368 494 I CB -0.425 37.489 38.000 -0.143 0.000 1.058 494 I HN 0.233 nan 8.210 nan 0.000 0.410 495 A N 0.268 123.038 122.820 -0.084 0.000 2.070 495 A HA -0.162 4.160 4.320 0.003 0.000 0.220 495 A C 2.143 179.720 177.584 -0.012 0.000 1.159 495 A CA 1.230 53.234 52.037 -0.055 0.000 0.656 495 A CB -0.437 18.527 19.000 -0.061 0.000 0.800 495 A HN 0.333 nan 8.150 nan 0.000 0.453 496 L N -0.257 120.969 121.223 0.005 0.000 2.068 496 L HA 0.005 4.346 4.340 0.003 0.000 0.204 496 L C 2.532 179.475 176.870 0.120 0.000 1.076 496 L CA 2.072 56.965 54.840 0.088 0.000 0.753 496 L CB -0.568 41.522 42.059 0.051 0.000 0.910 496 L HN 0.545 nan 8.230 nan 0.000 0.439 497 R N -0.351 120.180 120.500 0.053 0.000 2.096 497 R HA -0.214 4.128 4.340 0.003 0.000 0.235 497 R C 2.255 178.581 176.300 0.044 0.000 1.127 497 R CA 1.768 57.901 56.100 0.055 0.000 0.968 497 R CB -0.317 29.997 30.300 0.022 0.000 0.861 497 R HN 0.221 nan 8.270 nan 0.000 0.440 498 K N 0.345 120.752 120.400 0.012 0.000 2.283 498 K HA -0.173 4.149 4.320 0.003 0.000 0.202 498 K C 1.783 178.366 176.600 -0.028 0.000 1.048 498 K CA 1.679 57.959 56.287 -0.012 0.000 0.948 498 K CB 0.176 32.656 32.500 -0.032 0.000 0.742 498 K HN 0.537 nan 8.250 nan 0.000 0.458 499 Q N -1.600 118.182 119.800 -0.031 0.000 2.217 499 Q HA 0.025 4.367 4.340 0.003 0.000 0.217 499 Q C -0.724 175.099 176.000 -0.296 0.000 0.844 499 Q CA -0.147 55.565 55.803 -0.151 0.000 0.957 499 Q CB 0.482 29.102 28.738 -0.196 0.000 1.127 499 Q HN 0.089 nan 8.270 nan 0.000 0.503 500 Y N 1.227 121.520 120.300 -0.011 0.000 2.686 500 Y HA 0.367 4.919 4.550 0.003 0.000 0.331 500 Y C 0.901 176.797 175.900 -0.007 0.000 0.996 500 Y CA -1.186 56.910 58.100 -0.006 0.000 1.293 500 Y CB 1.029 39.486 38.460 -0.005 0.000 1.092 500 Y HN 0.051 nan 8.280 nan 0.000 0.524 501 R N 1.752 122.304 120.500 0.087 0.000 2.165 501 R HA -0.318 4.024 4.340 0.003 0.000 0.254 501 R C 1.957 178.295 176.300 0.063 0.000 1.153 501 R CA 2.089 58.224 56.100 0.057 0.000 0.971 501 R CB -0.078 30.242 30.300 0.034 0.000 0.878 501 R HN 0.788 nan 8.270 nan 0.000 0.449 502 A N 0.912 123.785 122.820 0.089 0.000 1.908 502 A HA -0.157 4.164 4.320 0.003 0.000 0.218 502 A C 2.230 179.827 177.584 0.021 0.000 1.181 502 A CA 1.435 53.500 52.037 0.046 0.000 0.627 502 A CB -0.566 18.465 19.000 0.051 0.000 0.818 502 A HN 0.390 nan 8.150 nan 0.000 0.445 503 L N -0.670 120.585 121.223 0.054 0.000 2.187 503 L HA -0.238 4.103 4.340 0.003 0.000 0.213 503 L C 2.799 179.676 176.870 0.011 0.000 1.100 503 L CA 1.888 56.747 54.840 0.032 0.000 0.765 503 L CB -0.346 41.751 42.059 0.063 0.000 0.904 503 L HN 0.612 nan 8.230 nan 0.000 0.437 504 R N 0.290 120.801 120.500 0.019 0.000 2.167 504 R HA 0.072 4.414 4.340 0.003 0.000 0.201 504 R C 1.392 177.688 176.300 -0.006 0.000 1.024 504 R CA 0.190 56.295 56.100 0.009 0.000 1.053 504 R CB -0.014 30.299 30.300 0.022 0.000 0.987 504 R HN 0.294 nan 8.270 nan 0.000 0.493 505 R N 0.906 121.403 120.500 -0.006 0.000 2.616 505 R HA 0.388 4.730 4.340 0.003 0.000 0.427 505 R C 0.171 176.460 176.300 -0.019 0.000 1.030 505 R CA -0.160 55.935 56.100 -0.008 0.000 1.133 505 R CB 1.222 31.530 30.300 0.013 0.000 1.444 505 R HN 0.119 nan 8.270 nan 0.000 0.578 506 G N 0.091 108.864 108.800 -0.045 0.000 2.531 506 G HA2 0.257 4.219 3.960 0.003 0.000 0.281 506 G HA3 0.257 4.219 3.960 0.003 0.000 0.281 506 G C -0.881 173.950 174.900 -0.115 0.000 1.382 506 G CA -0.461 44.605 45.100 -0.057 0.000 1.045 506 G HN 0.050 nan 8.290 nan 0.000 0.533 507 D N -0.339 119.988 120.400 -0.121 0.000 2.198 507 D HA 0.424 5.066 4.640 0.003 0.000 0.247 507 D C 0.421 176.587 176.300 -0.223 0.000 1.010 507 D CA -0.136 53.763 54.000 -0.168 0.000 0.880 507 D CB 2.134 42.861 40.800 -0.121 0.000 1.209 507 D HN 0.303 nan 8.370 nan 0.000 0.451 508 V N -1.694 118.026 119.914 -0.323 0.000 2.837 508 V HA 0.922 5.043 4.120 0.003 0.000 0.310 508 V C -0.394 175.489 176.094 -0.351 0.000 1.059 508 V CA -0.784 61.253 62.300 -0.438 0.000 1.004 508 V CB 1.419 32.818 31.823 -0.708 0.000 1.045 508 V HN 0.681 nan 8.190 nan 0.000 0.465 509 A N 2.805 125.354 122.820 -0.452 0.000 2.541 509 A HA 0.701 5.023 4.320 0.003 0.000 0.285 509 A C -1.171 176.246 177.584 -0.279 0.000 1.058 509 A CA -0.418 51.468 52.037 -0.252 0.000 0.886 509 A CB 0.390 19.328 19.000 -0.103 0.000 1.411 509 A HN 0.746 nan 8.150 nan 0.000 0.403 510 F N 2.205 122.204 119.950 0.080 0.000 2.420 510 F HA 0.431 4.959 4.527 0.003 0.000 0.352 510 F C 0.809 176.668 175.800 0.098 0.000 1.108 510 F CA -0.502 57.571 58.000 0.122 0.000 1.162 510 F CB 1.325 40.367 39.000 0.071 0.000 1.118 510 F HN 0.387 nan 8.300 nan 0.000 0.510 511 L N 1.733 123.113 121.223 0.262 0.000 2.741 511 L HA 0.137 4.478 4.340 0.003 0.000 0.237 511 L C 1.008 177.986 176.870 0.180 0.000 1.178 511 L CA 0.063 55.008 54.840 0.176 0.000 0.973 511 L CB -0.983 41.155 42.059 0.131 0.000 1.255 511 L HN 0.609 nan 8.230 nan 0.000 0.498 512 T N 0.606 115.297 114.554 0.228 0.000 2.906 512 T HA 0.442 4.794 4.350 0.003 0.000 0.320 512 T C 0.419 175.188 174.700 0.115 0.000 1.088 512 T CA -0.014 62.195 62.100 0.181 0.000 1.120 512 T CB 0.489 69.459 68.868 0.171 0.000 1.000 512 T HN 0.344 nan 8.240 nan 0.000 0.550 513 A N 3.505 126.383 122.820 0.096 0.000 2.303 513 A HA 0.431 4.753 4.320 0.003 0.000 0.317 513 A C 1.215 178.820 177.584 0.035 0.000 1.149 513 A CA -0.687 51.386 52.037 0.060 0.000 0.822 513 A CB 0.598 19.633 19.000 0.058 0.000 1.131 513 A HN 0.958 nan 8.150 nan 0.000 0.493 514 D N 1.044 121.455 120.400 0.018 0.000 2.182 514 D HA -0.173 4.468 4.640 0.003 0.000 0.201 514 D C 1.009 177.306 176.300 -0.005 0.000 0.986 514 D CA 2.133 56.133 54.000 0.001 0.000 0.847 514 D CB -0.057 40.739 40.800 -0.007 0.000 0.942 514 D HN 0.834 nan 8.370 nan 0.000 0.467 515 D N -0.173 120.225 120.400 -0.003 0.000 2.363 515 D HA -0.062 4.579 4.640 0.003 0.000 0.220 515 D C 0.438 176.722 176.300 -0.026 0.000 0.994 515 D CA 0.268 54.260 54.000 -0.014 0.000 0.890 515 D CB -0.023 40.770 40.800 -0.012 0.000 0.906 515 D HN -0.121 nan 8.370 nan 0.000 0.530 516 E N 0.201 120.392 120.200 -0.015 0.000 2.229 516 E HA 0.193 4.544 4.350 0.003 0.000 0.283 516 E C 0.538 177.130 176.600 -0.014 0.000 1.030 516 E CA -0.346 56.035 56.400 -0.032 0.000 0.836 516 E CB 2.036 31.743 29.700 0.012 0.000 1.068 516 E HN 0.019 nan 8.360 nan 0.000 0.401 517 V N 2.760 122.645 119.914 -0.048 0.000 3.612 517 V HA 0.076 4.198 4.120 0.003 0.000 0.268 517 V C 0.487 176.588 176.094 0.011 0.000 1.365 517 V CA 0.303 62.596 62.300 -0.011 0.000 1.044 517 V CB 0.022 31.820 31.823 -0.042 0.000 0.820 517 V HN 0.435 nan 8.190 nan 0.000 0.444 518 N N -1.388 117.287 118.700 -0.042 0.000 2.143 518 N HA 0.175 4.917 4.740 0.003 0.000 0.222 518 N C 0.070 175.735 175.510 0.259 0.000 1.264 518 N CA -0.157 52.907 53.050 0.024 0.000 0.897 518 N CB 0.389 38.836 38.487 -0.066 0.000 1.092 518 N HN 0.529 nan 8.380 nan 0.000 0.516 519 H N 0.449 119.596 119.070 0.128 0.000 2.581 519 H HA 0.335 4.892 4.556 0.003 0.000 0.308 519 H C -1.085 174.376 175.328 0.221 0.000 1.040 519 H CA -0.926 55.217 56.048 0.158 0.000 1.231 519 H CB 1.683 31.514 29.762 0.115 0.000 1.396 519 H HN -0.052 nan 8.280 nan 0.000 0.467 520 L N 5.072 126.544 121.223 0.416 0.000 2.265 520 L HA 0.334 4.676 4.340 0.003 0.000 0.289 520 L C -0.939 176.183 176.870 0.419 0.000 1.033 520 L CA -0.523 54.578 54.840 0.435 0.000 0.814 520 L CB 1.229 43.598 42.059 0.517 0.000 1.203 520 L HN 0.428 nan 8.230 nan 0.000 0.423 521 V N 7.206 127.364 119.914 0.407 0.000 2.531 521 V HA 0.676 4.798 4.120 0.003 0.000 0.301 521 V C -1.461 174.862 176.094 0.382 0.000 1.034 521 V CA -0.314 62.165 62.300 0.298 0.000 0.865 521 V CB 1.518 33.464 31.823 0.204 0.000 0.995 521 V HN 0.740 nan 8.190 nan 0.000 0.424 522 Y N 4.276 124.674 120.300 0.164 0.000 2.597 522 Y HA 0.946 5.497 4.550 0.003 0.000 0.340 522 Y C -0.620 175.257 175.900 -0.038 0.000 1.097 522 Y CA -0.753 57.345 58.100 -0.003 0.000 1.037 522 Y CB 1.616 39.967 38.460 -0.182 0.000 1.305 522 Y HN 0.827 nan 8.280 nan 0.000 0.463 523 A N 2.733 125.619 122.820 0.111 0.000 2.355 523 A HA 0.762 5.084 4.320 0.003 0.000 0.317 523 A C -1.336 176.257 177.584 0.016 0.000 1.094 523 A CA -1.087 50.969 52.037 0.032 0.000 0.764 523 A CB 1.381 20.382 19.000 0.001 0.000 1.230 523 A HN 0.535 nan 8.150 nan 0.000 0.448 524 K N 2.180 122.584 120.400 0.007 0.000 2.265 524 K HA 0.576 4.897 4.320 0.003 0.000 0.267 524 K C -0.640 175.942 176.600 -0.030 0.000 0.994 524 K CA -0.109 56.160 56.287 -0.031 0.000 0.860 524 K CB 1.585 34.077 32.500 -0.013 0.000 1.099 524 K HN 0.849 nan 8.250 nan 0.000 0.448 525 T N -0.733 113.795 114.554 -0.044 0.000 2.893 525 T HA 0.522 4.873 4.350 0.003 0.000 0.291 525 T C -0.925 173.764 174.700 -0.018 0.000 1.028 525 T CA -0.899 61.188 62.100 -0.023 0.000 0.995 525 T CB 2.063 70.916 68.868 -0.025 0.000 1.051 525 T HN 0.416 nan 8.240 nan 0.000 0.470 526 D N 0.092 120.494 120.400 0.003 0.000 2.362 526 D HA 0.480 5.121 4.640 0.003 0.000 0.232 526 D C 0.776 177.089 176.300 0.021 0.000 1.329 526 D CA 0.978 54.984 54.000 0.009 0.000 0.944 526 D CB -0.039 40.771 40.800 0.017 0.000 1.471 526 D HN 1.044 nan 8.370 nan 0.000 0.533 527 G N 3.391 112.199 108.800 0.014 0.000 2.536 527 G HA2 -0.371 3.590 3.960 0.003 0.000 0.277 527 G HA3 -0.371 3.590 3.960 0.003 0.000 0.277 527 G C 0.727 175.641 174.900 0.025 0.000 1.155 527 G CA 0.253 45.364 45.100 0.019 0.000 0.960 527 G HN 0.535 nan 8.290 nan 0.000 0.544 528 N N 1.287 120.009 118.700 0.035 0.000 2.299 528 N HA 0.153 4.894 4.740 0.003 0.000 0.187 528 N C 0.499 176.043 175.510 0.057 0.000 1.099 528 N CA 0.276 53.352 53.050 0.044 0.000 0.867 528 N CB 0.462 38.980 38.487 0.051 0.000 0.974 528 N HN 0.558 nan 8.380 nan 0.000 0.477 529 E N 1.251 121.489 120.200 0.062 0.000 2.259 529 E HA 0.110 4.462 4.350 0.003 0.000 0.281 529 E C -1.137 175.500 176.600 0.062 0.000 1.037 529 E CA 0.241 56.695 56.400 0.090 0.000 0.854 529 E CB 0.705 30.474 29.700 0.115 0.000 1.051 529 E HN -0.075 nan 8.360 nan 0.000 0.409 530 T N 3.487 118.072 114.554 0.052 0.000 2.928 530 T HA 0.350 4.701 4.350 0.003 0.000 0.296 530 T C -1.100 173.593 174.700 -0.012 0.000 1.000 530 T CA -0.598 61.511 62.100 0.016 0.000 0.989 530 T CB 1.399 70.273 68.868 0.011 0.000 1.005 530 T HN 0.210 nan 8.240 nan 0.000 0.442 531 V N 3.970 123.863 119.914 -0.035 0.000 2.495 531 V HA 0.601 4.723 4.120 0.003 0.000 0.298 531 V C -0.416 175.646 176.094 -0.054 0.000 1.031 531 V CA -0.813 61.439 62.300 -0.080 0.000 0.871 531 V CB 1.811 33.551 31.823 -0.140 0.000 0.988 531 V HN 0.846 nan 8.190 nan 0.000 0.432 532 M N 5.650 125.230 119.600 -0.033 0.000 2.336 532 M HA 0.694 5.176 4.480 0.003 0.000 0.342 532 M C -1.314 174.945 176.300 -0.068 0.000 1.128 532 M CA -0.077 55.208 55.300 -0.025 0.000 1.016 532 M CB 1.323 33.953 32.600 0.049 0.000 1.665 532 M HN 0.481 nan 8.290 nan 0.000 0.445 533 I N 5.702 126.133 120.570 -0.232 0.000 2.465 533 I HA 0.497 4.668 4.170 0.003 0.000 0.291 533 I C -1.014 175.007 176.117 -0.160 0.000 1.014 533 I CA -0.374 60.755 61.300 -0.285 0.000 1.093 533 I CB 1.647 39.245 38.000 -0.671 0.000 1.267 533 I HN 0.481 nan 8.210 nan 0.000 0.431 534 I N 6.758 127.341 120.570 0.023 0.000 2.406 534 I HA 0.515 4.686 4.170 0.003 0.000 0.290 534 I C -0.380 175.843 176.117 0.178 0.000 0.999 534 I CA -0.459 60.905 61.300 0.107 0.000 1.124 534 I CB 1.445 39.518 38.000 0.122 0.000 1.289 534 I HN 0.401 nan 8.210 nan 0.000 0.441 535 I N 4.843 125.559 120.570 0.243 0.000 2.499 535 I HA 0.245 4.417 4.170 0.003 0.000 0.288 535 I C -0.306 175.970 176.117 0.265 0.000 1.048 535 I CA -0.602 60.894 61.300 0.327 0.000 1.062 535 I CB 2.310 40.613 38.000 0.505 0.000 1.238 535 I HN 0.485 nan 8.210 nan 0.000 0.426 536 N N 5.772 124.587 118.700 0.193 0.000 2.678 536 N HA 0.132 4.874 4.740 0.003 0.000 0.231 536 N C -0.089 175.460 175.510 0.065 0.000 1.038 536 N CA -0.363 52.749 53.050 0.103 0.000 0.932 536 N CB 0.641 39.125 38.487 -0.005 0.000 1.176 536 N HN 0.357 nan 8.380 nan 0.000 0.511 537 R N 2.423 122.976 120.500 0.088 0.000 4.496 537 R HA 0.162 4.504 4.340 0.003 0.000 0.211 537 R C -0.954 175.162 176.300 -0.307 0.000 1.738 537 R CA 0.058 56.104 56.100 -0.091 0.000 1.528 537 R CB -1.199 28.981 30.300 -0.199 0.000 1.414 537 R HN 0.548 nan 8.270 nan 0.000 0.812 538 S N 0.500 115.868 115.700 -0.553 0.000 2.536 538 S HA 0.212 4.684 4.470 0.003 0.000 0.271 538 S C -0.799 173.343 174.600 -0.763 0.000 1.134 538 S CA -0.829 57.068 58.200 -0.505 0.000 0.897 538 S CB 1.283 64.381 63.200 -0.170 0.000 1.094 538 S HN 0.405 nan 8.310 nan 0.000 0.473 539 N N 3.232 121.657 118.700 -0.459 0.000 3.124 539 N HA 0.304 5.046 4.740 0.003 0.000 0.284 539 N C -0.849 174.622 175.510 -0.066 0.000 1.209 539 N CA 0.300 53.261 53.050 -0.148 0.000 1.149 539 N CB -0.335 38.260 38.487 0.181 0.000 1.434 539 N HN 0.767 nan 8.380 nan 0.000 0.529 540 E N -0.316 119.829 120.200 -0.092 0.000 2.552 540 E HA 0.276 4.628 4.350 0.003 0.000 0.297 540 E C -1.366 175.218 176.600 -0.026 0.000 1.038 540 E CA -0.644 55.736 56.400 -0.034 0.000 0.856 540 E CB 0.864 30.547 29.700 -0.027 0.000 1.222 540 E HN 0.361 nan 8.360 nan 0.000 0.422 541 A N 1.978 124.793 122.820 -0.007 0.000 2.531 541 A HA 0.543 4.865 4.320 0.003 0.000 0.236 541 A C -0.094 177.493 177.584 0.006 0.000 1.062 541 A CA 0.991 53.025 52.037 -0.006 0.000 0.760 541 A CB 0.257 19.256 19.000 -0.003 0.000 0.995 541 A HN 0.569 nan 8.150 nan 0.000 0.501 542 A N 1.597 124.415 122.820 -0.004 0.000 2.527 542 A HA 0.765 5.086 4.320 0.003 0.000 0.293 542 A C -0.494 177.070 177.584 -0.034 0.000 1.117 542 A CA -0.493 51.551 52.037 0.012 0.000 0.723 542 A CB 1.236 20.256 19.000 0.033 0.000 1.313 542 A HN 0.877 nan 8.150 nan 0.000 0.411 543 E N 1.174 121.367 120.200 -0.011 0.000 2.235 543 E HA 0.554 4.906 4.350 0.003 0.000 0.252 543 E C -1.565 175.018 176.600 -0.029 0.000 0.886 543 E CA -0.257 56.134 56.400 -0.016 0.000 0.767 543 E CB 0.784 30.497 29.700 0.021 0.000 1.205 543 E HN 0.561 nan 8.360 nan 0.000 0.421 544 I N 6.043 126.554 120.570 -0.097 0.000 2.412 544 I HA 0.405 4.577 4.170 0.003 0.000 0.296 544 I C -2.130 173.998 176.117 0.019 0.000 0.987 544 I CA -2.363 58.891 61.300 -0.077 0.000 1.180 544 I CB 1.837 39.718 38.000 -0.199 0.000 1.340 544 I HN 0.363 nan 8.210 nan 0.000 0.455 545 P HA 0.266 nan 4.420 nan 0.000 0.292 545 P C -1.214 176.120 177.300 0.057 0.000 1.287 545 P CA -0.591 62.542 63.100 0.055 0.000 0.800 545 P CB 1.713 33.450 31.700 0.062 0.000 0.945 546 M N 5.166 124.789 119.600 0.039 0.000 2.142 546 M HA 0.460 4.942 4.480 0.003 0.000 0.299 546 M C -2.971 173.332 176.300 0.005 0.000 0.960 546 M CA -2.548 52.770 55.300 0.029 0.000 0.920 546 M CB 2.473 35.085 32.600 0.021 0.000 1.541 546 M HN 0.013 nan 8.290 nan 0.000 0.429 547 P HA 0.262 nan 4.420 nan 0.000 0.271 547 P C -1.198 176.090 177.300 -0.020 0.000 1.216 547 P CA -0.173 62.930 63.100 0.004 0.000 0.776 547 P CB 0.407 32.119 31.700 0.019 0.000 0.881 548 I N -1.428 119.125 120.570 -0.028 0.000 2.465 548 I HA 0.558 4.730 4.170 0.003 0.000 0.291 548 I C -0.316 175.788 176.117 -0.023 0.000 1.014 548 I CA -1.218 60.053 61.300 -0.048 0.000 1.093 548 I CB 1.991 39.943 38.000 -0.079 0.000 1.267 548 I HN 0.092 nan 8.210 nan 0.000 0.431 549 D N 4.697 125.087 120.400 -0.017 0.000 2.423 549 D HA 0.306 4.948 4.640 0.003 0.000 0.238 549 D C 1.198 177.504 176.300 0.010 0.000 1.142 549 D CA 0.669 54.669 54.000 0.000 0.000 0.884 549 D CB 1.912 42.716 40.800 0.006 0.000 1.199 549 D HN 0.753 nan 8.370 nan 0.000 0.438 550 A N 4.187 127.016 122.820 0.014 0.000 1.842 550 A HA -0.262 4.060 4.320 0.003 0.000 0.217 550 A C 2.064 179.682 177.584 0.058 0.000 1.206 550 A CA 1.910 53.961 52.037 0.022 0.000 0.630 550 A CB -0.668 18.335 19.000 0.006 0.000 0.839 550 A HN 0.772 nan 8.150 nan 0.000 0.447 551 R N -0.122 120.409 120.500 0.051 0.000 2.276 551 R HA -0.096 4.246 4.340 0.003 0.000 0.243 551 R C 1.284 177.730 176.300 0.243 0.000 1.161 551 R CA 0.482 56.645 56.100 0.105 0.000 1.007 551 R CB -0.898 29.437 30.300 0.058 0.000 0.867 551 R HN 0.539 nan 8.270 nan 0.000 0.472 552 G N 0.788 109.662 108.800 0.122 0.000 2.202 552 G HA2 -0.152 3.809 3.960 0.003 0.000 0.251 552 G HA3 -0.152 3.809 3.960 0.003 0.000 0.251 552 G C 0.305 175.177 174.900 -0.046 0.000 1.219 552 G CA -0.120 45.005 45.100 0.041 0.000 0.943 552 G HN 0.266 nan 8.290 nan 0.000 0.465 553 K N 1.892 122.113 120.400 -0.299 0.000 2.172 553 K HA 0.108 4.430 4.320 0.003 0.000 0.203 553 K C 0.240 176.269 176.600 -0.951 0.000 1.040 553 K CA -0.018 55.625 56.287 -1.074 0.000 0.974 553 K CB 0.313 31.799 32.500 -1.690 0.000 0.857 553 K HN 0.617 nan 8.250 nan 0.000 0.464 554 W N 0.158 121.259 121.300 -0.332 0.000 2.630 554 W HA 0.504 5.166 4.660 0.003 0.000 0.365 554 W C -1.089 175.243 176.519 -0.312 0.000 1.270 554 W CA -1.214 55.955 57.345 -0.294 0.000 1.291 554 W CB 0.996 30.325 29.460 -0.219 0.000 1.440 554 W HN -0.140 nan 8.180 nan 0.000 0.652 555 L N 2.247 123.446 121.223 -0.040 0.000 2.680 555 L HA 0.408 4.749 4.340 0.003 0.000 0.260 555 L C -1.532 175.226 176.870 -0.188 0.000 0.975 555 L CA -0.419 54.238 54.840 -0.306 0.000 0.920 555 L CB 1.060 42.615 42.059 -0.840 0.000 1.234 555 L HN 0.173 nan 8.230 nan 0.000 0.429 556 V N 4.929 124.863 119.914 0.034 0.000 2.513 556 V HA 0.554 4.675 4.120 0.003 0.000 0.299 556 V C -0.034 176.157 176.094 0.162 0.000 1.035 556 V CA -0.501 61.858 62.300 0.099 0.000 0.889 556 V CB 1.973 33.815 31.823 0.032 0.000 0.988 556 V HN 0.894 nan 8.190 nan 0.000 0.440 557 N N 4.325 123.110 118.700 0.142 0.000 2.497 557 N HA 0.206 4.948 4.740 0.003 0.000 0.271 557 N C 0.574 176.059 175.510 -0.043 0.000 1.142 557 N CA -0.608 52.422 53.050 -0.033 0.000 0.965 557 N CB 1.181 39.636 38.487 -0.053 0.000 1.077 557 N HN 0.646 nan 8.380 nan 0.000 0.462 558 L N 3.199 124.365 121.223 -0.096 0.000 2.179 558 L HA 0.006 4.348 4.340 0.003 0.000 0.208 558 L C 0.978 177.837 176.870 -0.018 0.000 1.096 558 L CA 1.104 55.910 54.840 -0.057 0.000 0.779 558 L CB -0.520 41.464 42.059 -0.126 0.000 0.922 558 L HN 0.711 nan 8.230 nan 0.000 0.443 559 L N -5.145 116.056 121.223 -0.038 0.000 3.017 559 L HA 0.471 4.812 4.340 0.003 0.000 0.255 559 L C 0.753 177.606 176.870 -0.029 0.000 1.247 559 L CA 0.360 55.191 54.840 -0.015 0.000 1.038 559 L CB -0.408 41.661 42.059 0.017 0.000 1.380 559 L HN -0.128 nan 8.230 nan 0.000 0.548 560 T N -1.499 113.035 114.554 -0.035 0.000 3.211 560 T HA 0.399 4.751 4.350 0.003 0.000 0.261 560 T C 1.313 176.002 174.700 -0.017 0.000 0.880 560 T CA 0.552 62.631 62.100 -0.034 0.000 0.903 560 T CB 0.586 69.421 68.868 -0.054 0.000 1.264 560 T HN 0.425 nan 8.240 nan 0.000 0.532 561 G N 2.133 110.928 108.800 -0.008 0.000 2.253 561 G HA2 -0.268 3.694 3.960 0.003 0.000 0.251 561 G HA3 -0.268 3.694 3.960 0.003 0.000 0.251 561 G C 0.025 174.928 174.900 0.005 0.000 0.998 561 G CA 0.462 45.560 45.100 -0.003 0.000 0.621 561 G HN 0.609 nan 8.290 nan 0.000 0.524 562 E N 1.042 121.256 120.200 0.023 0.000 2.608 562 E HA 0.235 4.587 4.350 0.003 0.000 0.259 562 E C 0.574 177.266 176.600 0.155 0.000 0.951 562 E CA 0.059 56.496 56.400 0.061 0.000 0.945 562 E CB 0.238 29.971 29.700 0.055 0.000 0.916 562 E HN 0.421 nan 8.360 nan 0.000 0.477 563 R N 4.523 125.098 120.500 0.124 0.000 2.628 563 R HA 0.368 4.709 4.340 0.003 0.000 0.288 563 R C -1.655 174.784 176.300 0.232 0.000 0.980 563 R CA -0.537 55.621 56.100 0.097 0.000 0.891 563 R CB 0.751 30.913 30.300 -0.231 0.000 1.188 563 R HN 0.445 nan 8.270 nan 0.000 0.450 564 F N 0.594 120.567 119.950 0.038 0.000 2.631 564 F HA 0.694 5.223 4.527 0.003 0.000 0.308 564 F C -0.734 175.293 175.800 0.378 0.000 1.097 564 F CA -1.464 56.627 58.000 0.151 0.000 0.952 564 F CB 0.807 39.863 39.000 0.094 0.000 1.307 564 F HN 0.583 nan 8.300 nan 0.000 0.450 565 A N 1.589 124.729 122.820 0.535 0.000 2.540 565 A HA 0.511 4.833 4.320 0.003 0.000 0.239 565 A C 1.163 178.743 177.584 -0.006 0.000 1.061 565 A CA 0.254 52.413 52.037 0.202 0.000 0.758 565 A CB -0.324 18.736 19.000 0.100 0.000 0.991 565 A HN 1.601 nan 8.150 nan 0.000 0.502 566 A N 2.537 125.256 122.820 -0.169 0.000 1.827 566 A HA 0.041 4.362 4.320 0.003 0.000 0.215 566 A C 0.989 178.539 177.584 -0.056 0.000 1.212 566 A CA 1.389 53.331 52.037 -0.158 0.000 0.624 566 A CB -1.156 17.743 19.000 -0.168 0.000 0.853 566 A HN 1.830 nan 8.150 nan 0.000 0.450 567 E N -1.596 118.575 120.200 -0.049 0.000 2.173 567 E HA 0.038 4.390 4.350 0.003 0.000 0.160 567 E C -0.227 176.383 176.600 0.016 0.000 1.581 567 E CA 0.211 56.609 56.400 -0.002 0.000 0.618 567 E CB -2.218 27.487 29.700 0.008 0.000 1.049 567 E HN 1.923 nan 8.360 nan 0.000 0.311 568 A N 0.890 123.716 122.820 0.009 0.000 2.549 568 A HA 0.376 4.698 4.320 0.003 0.000 0.297 568 A C 0.151 177.740 177.584 0.008 0.000 0.983 568 A CA -0.217 51.829 52.037 0.015 0.000 0.654 568 A CB 0.562 19.578 19.000 0.026 0.000 1.319 568 A HN 0.235 nan 8.150 nan 0.000 0.428 569 E N 0.184 120.391 120.200 0.012 0.000 2.028 569 E HA 0.151 4.502 4.350 0.003 0.000 0.190 569 E C 0.748 177.353 176.600 0.008 0.000 0.984 569 E CA 2.555 58.961 56.400 0.010 0.000 0.800 569 E CB 0.109 29.818 29.700 0.014 0.000 0.758 569 E HN 0.836 nan 8.360 nan 0.000 0.448 570 T N -0.619 113.942 114.554 0.011 0.000 2.887 570 T HA 0.550 4.902 4.350 0.003 0.000 0.292 570 T C -1.350 173.358 174.700 0.013 0.000 1.087 570 T CA -0.740 61.367 62.100 0.010 0.000 1.009 570 T CB 1.586 70.466 68.868 0.020 0.000 1.203 570 T HN 0.087 nan 8.240 nan 0.000 0.518 571 L N 1.244 122.472 121.223 0.009 0.000 2.427 571 L HA 0.548 4.890 4.340 0.003 0.000 0.264 571 L C -1.013 175.876 176.870 0.030 0.000 0.989 571 L CA -0.588 54.265 54.840 0.022 0.000 0.865 571 L CB 0.233 42.287 42.059 -0.008 0.000 1.209 571 L HN 0.856 nan 8.230 nan 0.000 0.430 572 C N 4.563 123.884 119.300 0.036 0.000 2.624 572 C HA 0.436 4.898 4.460 0.003 0.000 0.397 572 C C 0.550 175.566 174.990 0.043 0.000 1.331 572 C CA -0.761 58.279 59.018 0.035 0.000 1.716 572 C CB -0.653 27.105 27.740 0.029 0.000 2.452 572 C HN 0.531 nan 8.230 nan 0.000 0.586 573 V N 4.747 124.693 119.914 0.053 0.000 2.407 573 V HA 0.321 4.443 4.120 0.003 0.000 0.278 573 V C 0.320 176.430 176.094 0.025 0.000 1.037 573 V CA 0.032 62.379 62.300 0.078 0.000 0.900 573 V CB 1.409 33.324 31.823 0.152 0.000 0.983 573 V HN 0.901 nan 8.190 nan 0.000 0.459 574 S N 5.735 121.443 115.700 0.014 0.000 2.438 574 S HA 0.756 5.228 4.470 0.003 0.000 0.293 574 S C -0.507 174.078 174.600 -0.026 0.000 1.141 574 S CA -0.384 57.808 58.200 -0.012 0.000 1.080 574 S CB 0.725 63.917 63.200 -0.013 0.000 0.978 574 S HN 0.453 nan 8.310 nan 0.000 0.479 575 L N 4.915 126.114 121.223 -0.039 0.000 2.354 575 L HA 0.628 4.969 4.340 0.003 0.000 0.264 575 L C -2.453 174.396 176.870 -0.035 0.000 1.008 575 L CA -2.038 52.775 54.840 -0.045 0.000 0.819 575 L CB 1.252 43.285 42.059 -0.044 0.000 1.339 575 L HN 0.353 nan 8.230 nan 0.000 0.420 576 P HA 0.294 nan 4.420 nan 0.000 0.276 576 P C -2.627 174.679 177.300 0.010 0.000 1.252 576 P CA -1.638 61.456 63.100 -0.010 0.000 0.802 576 P CB -0.020 31.673 31.700 -0.011 0.000 1.035 577 P HA -0.078 nan 4.420 nan 0.000 0.258 577 P C -0.728 176.650 177.300 0.130 0.000 1.172 577 P CA 0.924 64.028 63.100 0.008 0.000 0.762 577 P CB -0.488 31.249 31.700 0.062 0.000 0.764 578 Y N -0.124 120.220 120.300 0.072 0.000 4.272 578 Y HA -0.204 4.348 4.550 0.003 0.000 0.232 578 Y C 1.395 177.394 175.900 0.165 0.000 1.149 578 Y CA 1.126 59.291 58.100 0.107 0.000 1.961 578 Y CB -2.103 36.403 38.460 0.077 0.000 1.611 578 Y HN 0.480 nan 8.280 nan 0.000 0.682 579 G N -0.097 108.821 108.800 0.197 0.000 2.562 579 G HA2 0.578 4.540 3.960 0.003 0.000 0.275 579 G HA3 0.578 4.540 3.960 0.003 0.000 0.275 579 G C -0.653 174.407 174.900 0.267 0.000 1.196 579 G CA 0.024 45.214 45.100 0.149 0.000 0.908 579 G HN 0.530 nan 8.290 nan 0.000 0.524 580 F N -2.000 117.985 119.950 0.059 0.000 2.678 580 F HA 0.709 5.238 4.527 0.003 0.000 0.308 580 F C -1.322 174.479 175.800 0.001 0.000 1.118 580 F CA -1.508 56.527 58.000 0.058 0.000 0.959 580 F CB 1.805 40.864 39.000 0.098 0.000 1.305 580 F HN 0.668 nan 8.300 nan 0.000 0.443 581 V N 3.078 123.058 119.914 0.110 0.000 2.817 581 V HA 0.687 4.808 4.120 0.003 0.000 0.303 581 V C -2.127 173.919 176.094 -0.081 0.000 1.151 581 V CA -0.658 61.582 62.300 -0.101 0.000 0.929 581 V CB 2.007 33.684 31.823 -0.242 0.000 1.030 581 V HN 0.859 nan 8.190 nan 0.000 0.427 582 L N 7.550 128.688 121.223 -0.142 0.000 2.287 582 L HA 0.621 4.963 4.340 0.003 0.000 0.287 582 L C -1.018 175.712 176.870 -0.234 0.000 1.022 582 L CA -0.063 54.699 54.840 -0.130 0.000 0.814 582 L CB 1.371 43.385 42.059 -0.075 0.000 1.217 582 L HN 0.618 nan 8.230 nan 0.000 0.420 583 Y N 1.822 122.081 120.300 -0.068 0.000 2.352 583 Y HA 0.720 5.272 4.550 0.003 0.000 0.339 583 Y C 0.276 176.098 175.900 -0.131 0.000 0.992 583 Y CA -0.939 57.118 58.100 -0.072 0.000 1.100 583 Y CB 2.010 40.447 38.460 -0.037 0.000 1.192 583 Y HN 0.609 nan 8.280 nan 0.000 0.458 584 A N 3.095 125.937 122.820 0.037 0.000 2.276 584 A HA 0.667 4.988 4.320 0.003 0.000 0.316 584 A C -1.091 176.504 177.584 0.018 0.000 1.229 584 A CA -0.648 51.353 52.037 -0.061 0.000 0.851 584 A CB 0.375 19.294 19.000 -0.136 0.000 1.165 584 A HN 0.536 nan 8.150 nan 0.000 0.513 585 V N 3.844 123.763 119.914 0.008 0.000 2.270 585 V HA 0.170 4.292 4.120 0.003 0.000 0.263 585 V C 0.478 176.594 176.094 0.036 0.000 1.066 585 V CA -0.312 61.985 62.300 -0.005 0.000 0.857 585 V CB 0.089 31.895 31.823 -0.028 0.000 1.099 585 V HN 1.008 nan 8.190 nan 0.000 0.476 586 E N 2.904 123.148 120.200 0.074 0.000 2.383 586 E HA 0.467 4.818 4.350 0.003 0.000 0.264 586 E C 0.003 176.630 176.600 0.045 0.000 1.050 586 E CA -0.008 56.458 56.400 0.109 0.000 0.896 586 E CB 0.855 30.685 29.700 0.215 0.000 0.982 586 E HN 0.820 nan 8.360 nan 0.000 0.424 587 S N 3.567 119.307 115.700 0.065 0.000 2.626 587 S HA 0.323 4.795 4.470 0.003 0.000 0.275 587 S C -0.939 173.810 174.600 0.248 0.000 1.175 587 S CA -1.097 57.167 58.200 0.107 0.000 0.982 587 S CB -0.133 63.135 63.200 0.114 0.000 1.093 587 S HN 0.683 nan 8.310 nan 0.000 0.472 588 W N 0.000 121.248 121.300 -0.087 0.000 2.388 588 W HA 0.000 4.662 4.660 0.003 0.000 0.303 588 W CA 0.000 57.306 57.345 -0.065 0.000 1.226 588 W CB 0.000 29.412 29.460 -0.080 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535