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 2hzh_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPSANLVV TNAAVAADGH SRDAVVVNGG TPGPLITGNK GDQFQLNVIN DATA SEQUENCE NLTNFTMLKS TSVHWHGFFQ KGTNWADGPA FVNQcPIAAG SSFLYDFSTP DATA SEQUENCE IQAGTFWYHS HLSTQYcDGD RGPFVVYDPN DPSANLYDVD NLNTVITLTD DATA SEQUENCE WYHTAAQNGP AKPGGADATL INGQGRGPSS PSADLAVISV TAGKRYRFRL DATA SEQUENCE VSNScDPNYT FSIDGHQMTI IQVDSINVQP LVVLKIQIYA AQRYSFILNA DATA SEQUENCE NQAVNNYWIR ANPNQGNVGF TNGINSAILR YSGAAATQPT TSQTSSVQPL DATA SEQUENCE DQTNLHPLTA TAVPGSPVAG GVNLAINQAF NFNGTNHFVD GASFVPPTVP DATA SEQUENCE VLSQIVSGAQ SAADLLASGL VYSLPSDANI EISFPATSAA AGGPHPFHLH DATA SEQUENCE GHAFAVVRSA GSTTYNYNDP IFRDTVSTGT PAANDNVTIR FKTNNPGPWF DATA SEQUENCE LHCHIDFHLE AGFAVVFAQD IPDVASANPT PNAWSDLcPV YDAASSSSQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.595 177.584 0.018 0.000 1.274 1 A CA 0.000 52.069 52.037 0.053 0.000 0.836 1 A CB 0.000 19.021 19.000 0.036 0.000 0.831 2 I N 0.951 121.522 120.570 0.002 0.000 2.578 2 I HA 0.550 4.720 4.170 0.000 0.000 0.286 2 I C 0.854 176.937 176.117 -0.057 0.000 1.126 2 I CA -0.047 61.236 61.300 -0.029 0.000 1.380 2 I CB -0.115 37.867 38.000 -0.031 0.000 1.408 2 I HN 0.214 nan 8.210 nan 0.000 0.532 3 G N 6.505 115.269 108.800 -0.059 0.000 2.597 3 G HA2 0.092 4.052 3.960 0.000 0.000 0.283 3 G HA3 0.092 4.052 3.960 0.000 0.000 0.283 3 G C -1.423 173.399 174.900 -0.131 0.000 1.319 3 G CA -0.590 44.461 45.100 -0.082 0.000 1.054 3 G HN 0.595 nan 8.290 nan 0.000 0.583 4 P HA 0.002 nan 4.420 nan 0.000 0.216 4 P C 0.604 177.708 177.300 -0.326 0.000 1.150 4 P CA 1.011 63.819 63.100 -0.487 0.000 0.837 4 P CB 0.185 31.465 31.700 -0.701 0.000 0.786 5 S N -0.530 115.028 115.700 -0.236 0.000 2.433 5 S HA 0.703 5.173 4.470 0.000 0.000 0.310 5 S C -0.178 174.350 174.600 -0.120 0.000 1.097 5 S CA -0.418 57.678 58.200 -0.174 0.000 1.103 5 S CB 1.481 64.590 63.200 -0.153 0.000 0.992 5 S HN 0.164 nan 8.310 nan 0.000 0.469 6 A N 3.289 126.049 122.820 -0.100 0.000 2.612 6 A HA 0.728 5.049 4.320 0.000 0.000 0.293 6 A C -1.453 176.112 177.584 -0.032 0.000 1.075 6 A CA -1.033 50.964 52.037 -0.065 0.000 0.680 6 A CB 0.961 19.916 19.000 -0.076 0.000 1.279 6 A HN 0.587 nan 8.150 nan 0.000 0.411 7 N N 0.225 118.922 118.700 -0.005 0.000 2.479 7 N HA 0.563 5.303 4.740 0.000 0.000 0.285 7 N C -1.326 174.209 175.510 0.042 0.000 1.075 7 N CA -0.233 52.834 53.050 0.029 0.000 0.967 7 N CB 1.227 39.735 38.487 0.036 0.000 1.137 7 N HN 0.370 nan 8.380 nan 0.000 0.472 8 L N 2.806 124.076 121.223 0.079 0.000 2.337 8 L HA 0.352 4.692 4.340 0.000 0.000 0.269 8 L C -0.605 176.341 176.870 0.126 0.000 1.018 8 L CA -0.707 54.191 54.840 0.097 0.000 0.876 8 L CB 1.001 43.127 42.059 0.112 0.000 1.236 8 L HN 0.220 nan 8.230 nan 0.000 0.436 9 V N 4.102 124.082 119.914 0.111 0.000 2.461 9 V HA 0.395 4.515 4.120 0.000 0.000 0.275 9 V C 0.175 176.347 176.094 0.130 0.000 1.047 9 V CA -0.585 61.784 62.300 0.115 0.000 0.955 9 V CB 1.719 33.597 31.823 0.093 0.000 0.988 9 V HN 0.327 nan 8.190 nan 0.000 0.471 10 V N 5.343 125.342 119.914 0.141 0.000 2.384 10 V HA 0.700 4.820 4.120 0.000 0.000 0.287 10 V C 0.268 176.442 176.094 0.134 0.000 1.020 10 V CA -0.201 62.190 62.300 0.150 0.000 0.850 10 V CB 1.625 33.549 31.823 0.169 0.000 0.987 10 V HN 1.078 nan 8.190 nan 0.000 0.436 11 T N 1.227 115.858 114.554 0.129 0.000 2.841 11 T HA 0.523 4.873 4.350 0.000 0.000 0.296 11 T C -0.817 173.956 174.700 0.121 0.000 1.166 11 T CA -1.014 61.155 62.100 0.116 0.000 1.007 11 T CB 2.013 70.942 68.868 0.101 0.000 1.253 11 T HN 0.388 nan 8.240 nan 0.000 0.511 12 N N 0.393 119.160 118.700 0.111 0.000 2.473 12 N HA 0.717 5.457 4.740 0.000 0.000 0.291 12 N C -0.765 174.808 175.510 0.105 0.000 1.083 12 N CA -0.410 52.708 53.050 0.114 0.000 0.951 12 N CB 1.884 40.435 38.487 0.106 0.000 1.164 12 N HN 1.070 nan 8.380 nan 0.000 0.480 13 A N 0.279 123.167 122.820 0.113 0.000 2.608 13 A HA 0.692 5.012 4.320 0.000 0.000 0.292 13 A C -1.260 176.393 177.584 0.114 0.000 1.066 13 A CA -0.751 51.347 52.037 0.101 0.000 0.676 13 A CB 0.785 19.841 19.000 0.092 0.000 1.277 13 A HN 0.626 nan 8.150 nan 0.000 0.413 14 A N 0.187 123.065 122.820 0.096 0.000 2.388 14 A HA 0.641 4.962 4.320 0.000 0.000 0.257 14 A C 0.233 177.881 177.584 0.106 0.000 1.095 14 A CA 0.317 52.416 52.037 0.103 0.000 0.791 14 A CB -0.122 18.920 19.000 0.071 0.000 1.029 14 A HN 2.260 nan 8.150 nan 0.000 0.489 15 V N -1.144 118.856 119.914 0.143 0.000 2.841 15 V HA 0.846 4.966 4.120 0.000 0.000 0.310 15 V C 0.052 176.222 176.094 0.126 0.000 1.090 15 V CA -0.150 62.217 62.300 0.112 0.000 0.930 15 V CB 1.562 33.441 31.823 0.093 0.000 1.014 15 V HN 1.535 nan 8.190 nan 0.000 0.425 16 A N 2.591 125.447 122.820 0.059 0.000 2.965 16 A HA 0.813 5.133 4.320 0.000 0.000 0.304 16 A C 1.667 179.264 177.584 0.021 0.000 1.214 16 A CA 0.315 52.393 52.037 0.068 0.000 0.977 16 A CB -0.185 18.839 19.000 0.039 0.000 1.127 16 A HN 1.972 nan 8.150 nan 0.000 0.572 17 A N 1.332 124.109 122.820 -0.072 0.000 1.909 17 A HA -0.250 4.071 4.320 0.000 0.000 0.221 17 A C 1.474 178.997 177.584 -0.103 0.000 1.223 17 A CA 2.254 54.137 52.037 -0.256 0.000 0.658 17 A CB -0.289 18.212 19.000 -0.831 0.000 0.831 17 A HN 0.676 nan 8.150 nan 0.000 0.462 18 D N -3.847 116.586 120.400 0.055 0.000 2.623 18 D HA 0.372 5.012 4.640 0.000 0.000 0.252 18 D C 0.914 177.312 176.300 0.163 0.000 1.294 18 D CA 0.740 54.816 54.000 0.125 0.000 0.824 18 D CB -0.406 40.522 40.800 0.214 0.000 1.070 18 D HN 1.042 nan 8.370 nan 0.000 0.487 19 G N 0.555 109.430 108.800 0.125 0.000 2.199 19 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 19 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 19 G C 0.039 175.012 174.900 0.122 0.000 0.982 19 G CA 0.434 45.596 45.100 0.104 0.000 0.632 19 G HN 0.728 nan 8.290 nan 0.000 0.529 20 H N 0.728 119.847 119.070 0.081 0.000 2.473 20 H HA 0.715 5.272 4.556 0.001 0.000 0.327 20 H C -0.011 175.368 175.328 0.086 0.000 1.105 20 H CA 0.274 56.325 56.048 0.005 0.000 1.280 20 H CB 1.427 31.055 29.762 -0.224 0.000 1.450 20 H HN 0.118 nan 8.280 nan 0.000 0.492 21 S N 3.253 118.735 115.700 -0.362 0.000 2.462 21 S HA 0.591 5.062 4.470 0.000 0.000 0.294 21 S C -1.077 173.481 174.600 -0.070 0.000 1.144 21 S CA -0.838 57.290 58.200 -0.119 0.000 1.088 21 S CB 0.031 63.160 63.200 -0.117 0.000 1.009 21 S HN 0.785 nan 8.310 nan 0.000 0.484 22 R N 2.561 123.155 120.500 0.157 0.000 2.643 22 R HA 0.493 4.833 4.340 0.000 0.000 0.269 22 R C -1.664 174.757 176.300 0.201 0.000 1.037 22 R CA -0.800 55.416 56.100 0.193 0.000 0.894 22 R CB 0.224 30.701 30.300 0.294 0.000 1.238 22 R HN 0.328 nan 8.270 nan 0.000 0.459 23 D N 0.594 121.084 120.400 0.150 0.000 2.372 23 D HA 0.534 5.174 4.640 0.000 0.000 0.243 23 D C -0.477 175.931 176.300 0.180 0.000 1.121 23 D CA 0.767 54.855 54.000 0.146 0.000 0.898 23 D CB 1.649 42.513 40.800 0.107 0.000 1.202 23 D HN 0.674 nan 8.370 nan 0.000 0.428 24 A N 1.494 124.432 122.820 0.196 0.000 2.581 24 A HA 0.460 4.780 4.320 0.000 0.000 0.290 24 A C -1.219 176.485 177.584 0.201 0.000 1.119 24 A CA -0.649 51.532 52.037 0.239 0.000 0.670 24 A CB 1.009 20.259 19.000 0.416 0.000 1.280 24 A HN 0.272 nan 8.150 nan 0.000 0.425 25 V N 1.343 121.384 119.914 0.212 0.000 2.406 25 V HA 0.523 4.643 4.120 0.000 0.000 0.272 25 V C 0.160 176.376 176.094 0.203 0.000 1.043 25 V CA -0.118 62.295 62.300 0.188 0.000 0.915 25 V CB 0.643 32.572 31.823 0.178 0.000 0.988 25 V HN 1.188 nan 8.190 nan 0.000 0.466 26 V N 3.469 123.487 119.914 0.174 0.000 2.960 26 V HA 0.826 4.947 4.120 0.000 0.000 0.315 26 V C -0.528 175.665 176.094 0.164 0.000 1.087 26 V CA -0.834 61.563 62.300 0.162 0.000 0.982 26 V CB 2.116 34.017 31.823 0.130 0.000 1.039 26 V HN 0.431 nan 8.190 nan 0.000 0.437 27 V N 2.663 122.681 119.914 0.173 0.000 2.417 27 V HA 0.508 4.628 4.120 0.000 0.000 0.291 27 V C 0.251 176.433 176.094 0.148 0.000 1.024 27 V CA -0.657 61.756 62.300 0.188 0.000 0.861 27 V CB 0.927 32.916 31.823 0.277 0.000 0.985 27 V HN 1.016 nan 8.190 nan 0.000 0.436 28 N N 3.874 122.649 118.700 0.124 0.000 2.707 28 N HA -0.234 4.507 4.740 0.000 0.000 0.253 28 N C 1.218 176.778 175.510 0.084 0.000 0.998 28 N CA 1.669 54.776 53.050 0.095 0.000 0.751 28 N CB -1.049 37.489 38.487 0.085 0.000 0.920 28 N HN 1.530 nan 8.380 nan 0.000 0.539 29 G N -3.168 105.684 108.800 0.087 0.000 2.217 29 G HA2 -0.113 3.847 3.960 0.000 0.000 0.246 29 G HA3 -0.113 3.847 3.960 0.000 0.000 0.246 29 G C 0.353 175.295 174.900 0.070 0.000 0.990 29 G CA 0.463 45.607 45.100 0.073 0.000 0.627 29 G HN 1.099 nan 8.290 nan 0.000 0.522 30 G N -1.646 107.200 108.800 0.077 0.000 2.660 30 G HA2 0.743 4.704 3.960 0.000 0.000 0.294 30 G HA3 0.743 4.704 3.960 0.000 0.000 0.294 30 G C -1.055 173.884 174.900 0.065 0.000 1.369 30 G CA 0.607 45.741 45.100 0.057 0.000 0.912 30 G HN 1.005 nan 8.290 nan 0.000 0.479 31 T N 1.271 115.835 114.554 0.016 0.000 2.916 31 T HA 0.687 5.037 4.350 0.000 0.000 0.298 31 T C -2.463 172.171 174.700 -0.109 0.000 1.031 31 T CA -1.099 60.999 62.100 -0.003 0.000 0.993 31 T CB 1.737 70.629 68.868 0.039 0.000 1.045 31 T HN 0.463 nan 8.240 nan 0.000 0.454 32 P HA 0.286 nan 4.420 nan 0.000 0.269 32 P C 0.630 177.956 177.300 0.044 0.000 1.217 32 P CA -0.187 62.909 63.100 -0.006 0.000 0.783 32 P CB 0.084 31.764 31.700 -0.033 0.000 0.898 33 G N 1.722 110.578 108.800 0.094 0.000 2.716 33 G HA2 0.275 4.235 3.960 0.000 0.000 0.251 33 G HA3 0.275 4.235 3.960 0.000 0.000 0.251 33 G C -2.231 172.802 174.900 0.222 0.000 1.224 33 G CA -0.844 44.383 45.100 0.211 0.000 0.891 33 G HN 0.453 nan 8.290 nan 0.000 0.561 34 P HA 0.096 nan 4.420 nan 0.000 0.269 34 P C -0.270 177.177 177.300 0.245 0.000 1.215 34 P CA -0.459 62.751 63.100 0.182 0.000 0.780 34 P CB 0.958 32.735 31.700 0.128 0.000 0.898 35 L N 3.393 124.717 121.223 0.169 0.000 2.360 35 L HA 0.246 4.586 4.340 0.000 0.000 0.276 35 L C -0.165 176.761 176.870 0.094 0.000 1.121 35 L CA 0.007 54.953 54.840 0.177 0.000 0.845 35 L CB -0.487 41.655 42.059 0.138 0.000 1.143 35 L HN 0.193 nan 8.230 nan 0.000 0.452 36 I N 5.138 125.720 120.570 0.020 0.000 2.365 36 I HA 0.378 4.548 4.170 0.000 0.000 0.291 36 I C 0.376 176.377 176.117 -0.194 0.000 1.004 36 I CA -0.219 60.906 61.300 -0.291 0.000 1.311 36 I CB 1.242 38.695 38.000 -0.912 0.000 1.401 36 I HN 0.792 nan 8.210 nan 0.000 0.491 37 T N 1.885 116.418 114.554 -0.035 0.000 2.901 37 T HA 0.941 5.291 4.350 0.000 0.000 0.293 37 T C -0.308 174.560 174.700 0.281 0.000 1.084 37 T CA -0.829 61.385 62.100 0.191 0.000 1.008 37 T CB 2.360 71.414 68.868 0.311 0.000 1.170 37 T HN 0.905 nan 8.240 nan 0.000 0.509 38 G N 0.362 109.404 108.800 0.403 0.000 2.349 38 G HA2 0.502 4.462 3.960 0.000 0.000 0.294 38 G HA3 0.502 4.462 3.960 0.000 0.000 0.294 38 G C -2.106 172.992 174.900 0.329 0.000 1.380 38 G CA -1.137 44.130 45.100 0.277 0.000 0.811 38 G HN 0.890 nan 8.290 nan 0.000 0.519 39 N N 0.044 118.839 118.700 0.158 0.000 2.417 39 N HA 0.440 5.180 4.740 0.000 0.000 0.300 39 N C -0.136 175.465 175.510 0.152 0.000 1.102 39 N CA -0.869 52.286 53.050 0.176 0.000 0.886 39 N CB 2.114 40.656 38.487 0.091 0.000 1.203 39 N HN 0.641 nan 8.380 nan 0.000 0.496 40 K N 0.836 121.338 120.400 0.170 0.000 2.511 40 K HA -0.050 4.271 4.320 0.000 0.000 0.277 40 K C 0.804 177.450 176.600 0.077 0.000 1.025 40 K CA 1.281 57.650 56.287 0.137 0.000 1.112 40 K CB -0.300 32.273 32.500 0.121 0.000 0.859 40 K HN 0.817 nan 8.250 nan 0.000 0.485 41 G N 3.090 111.929 108.800 0.065 0.000 2.232 41 G HA2 -0.205 3.755 3.960 0.000 0.000 0.226 41 G HA3 -0.205 3.755 3.960 0.000 0.000 0.226 41 G C -0.299 174.575 174.900 -0.045 0.000 0.996 41 G CA 0.081 45.191 45.100 0.016 0.000 0.626 41 G HN 0.712 nan 8.290 nan 0.000 0.509 42 D N 0.687 121.027 120.400 -0.101 0.000 2.368 42 D HA 0.441 5.081 4.640 0.000 0.000 0.240 42 D C 0.647 176.738 176.300 -0.349 0.000 1.169 42 D CA 0.264 54.080 54.000 -0.307 0.000 0.906 42 D CB 0.684 41.123 40.800 -0.602 0.000 1.187 42 D HN 0.515 nan 8.370 nan 0.000 0.435 43 Q N 0.992 120.545 119.800 -0.413 0.000 2.278 43 Q HA 0.309 4.649 4.340 0.000 0.000 0.257 43 Q C -1.326 174.295 176.000 -0.631 0.000 0.928 43 Q CA -0.503 55.072 55.803 -0.381 0.000 0.932 43 Q CB 0.422 29.014 28.738 -0.243 0.000 1.221 43 Q HN 0.267 nan 8.270 nan 0.000 0.434 44 F N 2.891 122.446 119.950 -0.658 0.000 2.404 44 F HA 0.293 4.820 4.527 0.001 0.000 0.354 44 F C 0.045 175.387 175.800 -0.764 0.000 1.122 44 F CA -0.372 57.132 58.000 -0.826 0.000 1.080 44 F CB 1.525 39.748 39.000 -1.294 0.000 1.131 44 F HN 0.448 nan 8.300 nan 0.000 0.471 45 Q N 5.747 125.338 119.800 -0.348 0.000 2.454 45 Q HA 0.425 4.765 4.340 0.000 0.000 0.255 45 Q C -1.231 174.668 176.000 -0.168 0.000 1.034 45 Q CA -0.388 55.279 55.803 -0.226 0.000 0.736 45 Q CB 1.816 30.456 28.738 -0.164 0.000 1.210 45 Q HN 0.618 nan 8.270 nan 0.000 0.500 46 L N 2.468 123.607 121.223 -0.141 0.000 2.301 46 L HA 0.350 4.690 4.340 0.000 0.000 0.278 46 L C -0.126 176.822 176.870 0.129 0.000 1.022 46 L CA -0.749 54.056 54.840 -0.057 0.000 0.854 46 L CB 0.633 42.560 42.059 -0.220 0.000 1.226 46 L HN 0.397 nan 8.230 nan 0.000 0.429 47 N N 2.502 121.251 118.700 0.081 0.000 2.402 47 N HA 0.149 4.889 4.740 0.000 0.000 0.259 47 N C -0.699 174.922 175.510 0.185 0.000 1.167 47 N CA -0.131 52.986 53.050 0.112 0.000 0.949 47 N CB 0.788 39.309 38.487 0.056 0.000 1.212 47 N HN 0.238 nan 8.380 nan 0.000 0.493 48 V N 5.630 125.725 119.914 0.301 0.000 2.408 48 V HA 0.231 4.351 4.120 0.000 0.000 0.267 48 V C 0.575 176.823 176.094 0.256 0.000 1.047 48 V CA -0.394 62.100 62.300 0.323 0.000 0.937 48 V CB 0.216 32.333 31.823 0.490 0.000 0.999 48 V HN 0.515 nan 8.190 nan 0.000 0.472 49 I N 4.910 125.596 120.570 0.194 0.000 2.306 49 I HA 0.285 4.456 4.170 0.000 0.000 0.288 49 I C 0.345 176.557 176.117 0.158 0.000 1.036 49 I CA -0.316 61.081 61.300 0.160 0.000 1.221 49 I CB 0.982 39.055 38.000 0.122 0.000 1.385 49 I HN 0.481 nan 8.210 nan 0.000 0.472 50 N N 6.160 124.956 118.700 0.161 0.000 2.555 50 N HA 0.107 4.847 4.740 0.000 0.000 0.244 50 N C -0.229 175.357 175.510 0.126 0.000 1.114 50 N CA 0.072 53.213 53.050 0.151 0.000 0.963 50 N CB 0.184 38.765 38.487 0.157 0.000 1.276 50 N HN 0.408 nan 8.380 nan 0.000 0.510 51 N N 3.097 121.869 118.700 0.120 0.000 2.389 51 N HA 0.120 4.860 4.740 0.000 0.000 0.260 51 N C -0.577 174.996 175.510 0.105 0.000 1.191 51 N CA -0.337 52.775 53.050 0.104 0.000 0.885 51 N CB 0.184 38.727 38.487 0.093 0.000 1.162 51 N HN 0.360 nan 8.380 nan 0.000 0.512 52 L N 0.746 122.039 121.223 0.117 0.000 2.461 52 L HA 0.158 4.499 4.340 0.000 0.000 0.272 52 L C 1.813 178.750 176.870 0.113 0.000 1.197 52 L CA 0.771 55.682 54.840 0.119 0.000 0.836 52 L CB 0.619 42.757 42.059 0.131 0.000 1.105 52 L HN 0.254 nan 8.230 nan 0.000 0.477 53 T N -2.785 111.835 114.554 0.111 0.000 2.986 53 T HA 0.171 4.521 4.350 0.000 0.000 0.264 53 T C 0.508 175.283 174.700 0.124 0.000 0.964 53 T CA -0.316 61.848 62.100 0.106 0.000 0.895 53 T CB -0.032 68.888 68.868 0.088 0.000 1.163 53 T HN 0.337 nan 8.240 nan 0.000 0.517 54 N N 0.887 119.666 118.700 0.132 0.000 2.457 54 N HA 0.303 5.043 4.740 0.000 0.000 0.250 54 N C -0.128 175.484 175.510 0.170 0.000 0.982 54 N CA -0.795 52.339 53.050 0.140 0.000 0.941 54 N CB 1.221 39.772 38.487 0.107 0.000 1.120 54 N HN 0.165 nan 8.380 nan 0.000 0.505 55 F N 3.332 123.319 119.950 0.061 0.000 2.325 55 F HA -0.024 4.503 4.527 0.000 0.000 0.299 55 F C 1.715 177.552 175.800 0.062 0.000 1.090 55 F CA 1.191 59.228 58.000 0.061 0.000 1.392 55 F CB -0.096 38.934 39.000 0.049 0.000 1.053 55 F HN 0.411 nan 8.300 nan 0.000 0.521 56 T N 0.321 114.812 114.554 -0.105 0.000 2.962 56 T HA -0.128 4.222 4.350 0.000 0.000 0.270 56 T C 1.585 176.175 174.700 -0.182 0.000 1.088 56 T CA 1.525 63.509 62.100 -0.193 0.000 1.127 56 T CB -0.223 68.630 68.868 -0.025 0.000 0.883 56 T HN 0.308 nan 8.240 nan 0.000 0.493 57 M N 0.422 119.961 119.600 -0.102 0.000 2.412 57 M HA 0.343 4.823 4.480 0.000 0.000 0.315 57 M C -1.114 175.164 176.300 -0.036 0.000 1.092 57 M CA -0.374 54.895 55.300 -0.052 0.000 0.974 57 M CB 0.666 33.276 32.600 0.018 0.000 1.437 57 M HN -0.036 nan 8.290 nan 0.000 0.524 58 L N 0.721 121.888 121.223 -0.094 0.000 1.096 58 L HA -0.192 4.148 4.340 0.000 0.000 0.399 58 L C 0.625 177.558 176.870 0.105 0.000 1.003 58 L CA 0.572 55.406 54.840 -0.010 0.000 1.217 58 L CB -0.560 41.512 42.059 0.022 0.000 0.817 58 L HN 0.353 nan 8.230 nan 0.000 0.447 59 K N 0.208 120.719 120.400 0.185 0.000 2.305 59 K HA 0.153 4.473 4.320 0.000 0.000 0.199 59 K C 0.574 177.283 176.600 0.182 0.000 1.047 59 K CA 0.745 57.145 56.287 0.188 0.000 0.976 59 K CB 0.227 32.854 32.500 0.211 0.000 0.765 59 K HN 0.621 nan 8.250 nan 0.000 0.474 60 S N 0.318 116.144 115.700 0.209 0.000 2.672 60 S HA 0.278 4.748 4.470 0.000 0.000 0.276 60 S C 0.080 174.766 174.600 0.143 0.000 1.207 60 S CA -0.516 57.806 58.200 0.203 0.000 1.002 60 S CB 2.023 65.409 63.200 0.311 0.000 0.998 60 S HN 0.079 nan 8.310 nan 0.000 0.542 61 T N 0.185 114.807 114.554 0.113 0.000 2.843 61 T HA 0.652 5.002 4.350 0.000 0.000 0.302 61 T C -1.685 173.068 174.700 0.089 0.000 1.232 61 T CA -0.468 61.696 62.100 0.107 0.000 1.009 61 T CB 1.669 70.626 68.868 0.147 0.000 1.254 61 T HN 0.515 nan 8.240 nan 0.000 0.504 62 S N 1.426 117.183 115.700 0.095 0.000 2.592 62 S HA 0.629 5.099 4.470 0.000 0.000 0.275 62 S C -1.620 173.007 174.600 0.045 0.000 1.169 62 S CA -0.497 57.779 58.200 0.126 0.000 0.958 62 S CB 1.104 64.320 63.200 0.025 0.000 1.095 62 S HN 0.625 nan 8.310 nan 0.000 0.471 63 V N 5.145 125.008 119.914 -0.085 0.000 2.398 63 V HA 0.482 4.602 4.120 0.000 0.000 0.286 63 V C -0.225 175.309 176.094 -0.934 0.000 1.026 63 V CA -0.678 61.291 62.300 -0.553 0.000 0.868 63 V CB 1.263 32.587 31.823 -0.830 0.000 0.982 63 V HN 0.942 nan 8.190 nan 0.000 0.443 64 H N 3.666 122.170 119.070 -0.943 0.000 2.463 64 H HA 0.473 5.030 4.556 0.000 0.000 0.332 64 H C -1.282 173.400 175.328 -1.077 0.000 1.127 64 H CA -1.351 54.161 56.048 -0.893 0.000 1.238 64 H CB 1.045 30.569 29.762 -0.398 0.000 1.478 64 H HN 0.630 nan 8.280 nan 0.000 0.499 65 W N 4.992 125.821 121.300 -0.785 0.000 2.253 65 W HA 0.206 4.867 4.660 0.000 0.000 0.348 65 W C -0.137 175.900 176.519 -0.803 0.000 0.920 65 W CA -0.937 56.055 57.345 -0.588 0.000 1.518 65 W CB -0.338 28.875 29.460 -0.412 0.000 1.446 65 W HN 0.679 nan 8.180 nan 0.000 0.361 66 H N 1.735 120.230 119.070 -0.957 0.000 3.145 66 H HA 0.304 4.861 4.556 0.000 0.000 0.288 66 H C 1.411 176.513 175.328 -0.376 0.000 0.969 66 H CA 1.978 57.583 56.048 -0.737 0.000 1.444 66 H CB 0.401 29.670 29.762 -0.821 0.000 1.500 66 H HN 0.776 nan 8.280 nan 0.000 0.552 67 G N 3.841 112.516 108.800 -0.207 0.000 2.259 67 G HA2 -0.260 3.701 3.960 0.000 0.000 0.217 67 G HA3 -0.260 3.701 3.960 0.000 0.000 0.217 67 G C -0.152 174.549 174.900 -0.333 0.000 1.001 67 G CA -0.105 44.923 45.100 -0.120 0.000 0.627 67 G HN 0.504 nan 8.290 nan 0.000 0.501 68 F N 1.141 120.939 119.950 -0.253 0.000 2.443 68 F HA 0.653 5.180 4.527 0.001 0.000 0.353 68 F C 1.383 177.032 175.800 -0.252 0.000 1.101 68 F CA -0.839 56.882 58.000 -0.466 0.000 1.226 68 F CB 0.430 39.043 39.000 -0.646 0.000 1.140 68 F HN -0.083 nan 8.300 nan 0.000 0.557 69 F N 0.033 119.958 119.950 -0.042 0.000 2.259 69 F HA -0.086 4.441 4.527 0.000 0.000 0.298 69 F C 1.403 177.097 175.800 -0.177 0.000 1.088 69 F CA 0.511 58.390 58.000 -0.202 0.000 1.358 69 F CB -0.706 38.192 39.000 -0.170 0.000 1.040 69 F HN 0.394 nan 8.300 nan 0.000 0.505 70 Q N 0.148 120.010 119.800 0.103 0.000 2.481 70 Q HA -0.280 4.060 4.340 0.000 0.000 0.272 70 Q C 0.292 176.407 176.000 0.191 0.000 1.157 70 Q CA 0.684 56.532 55.803 0.074 0.000 0.935 70 Q CB -2.053 26.755 28.738 0.116 0.000 1.338 70 Q HN 0.512 nan 8.270 nan 0.000 0.494 71 K N 0.242 120.747 120.400 0.175 0.000 2.419 71 K HA 0.210 4.530 4.320 0.000 0.000 0.282 71 K C 1.298 177.989 176.600 0.152 0.000 1.056 71 K CA 1.267 57.660 56.287 0.177 0.000 1.035 71 K CB -0.042 32.539 32.500 0.135 0.000 0.921 71 K HN 0.385 nan 8.250 nan 0.000 0.472 72 G N 2.789 111.686 108.800 0.161 0.000 2.205 72 G HA2 -0.293 3.667 3.960 0.000 0.000 0.261 72 G HA3 -0.293 3.667 3.960 0.000 0.000 0.261 72 G C 0.385 175.363 174.900 0.131 0.000 0.980 72 G CA 0.648 45.830 45.100 0.136 0.000 0.632 72 G HN 0.830 nan 8.290 nan 0.000 0.533 73 T N -2.038 112.539 114.554 0.038 0.000 3.415 73 T HA 0.372 4.722 4.350 0.000 0.000 0.282 73 T C 1.157 175.585 174.700 -0.453 0.000 1.007 73 T CA 0.657 62.599 62.100 -0.264 0.000 0.958 73 T CB 0.307 68.985 68.868 -0.317 0.000 1.171 73 T HN 0.240 nan 8.240 nan 0.000 0.500 74 N N 2.105 120.699 118.700 -0.176 0.000 2.132 74 N HA -0.168 4.573 4.740 0.000 0.000 0.191 74 N C 1.803 177.154 175.510 -0.266 0.000 1.015 74 N CA 2.139 55.034 53.050 -0.259 0.000 0.864 74 N CB -0.197 38.042 38.487 -0.413 0.000 1.006 74 N HN 0.862 nan 8.380 nan 0.000 0.430 75 W N 0.420 121.577 121.300 -0.238 0.000 2.364 75 W HA -0.014 4.646 4.660 0.000 0.000 0.281 75 W C 1.330 177.906 176.519 0.095 0.000 1.219 75 W CA 0.734 57.876 57.345 -0.339 0.000 1.220 75 W CB -0.892 28.022 29.460 -0.910 0.000 1.127 75 W HN 0.062 nan 8.180 nan 0.000 0.556 76 A N 0.729 123.171 122.820 -0.629 0.000 2.337 76 A HA 0.016 4.336 4.320 0.000 0.000 0.227 76 A C 1.468 179.157 177.584 0.174 0.000 1.259 76 A CA 0.988 52.876 52.037 -0.249 0.000 0.870 76 A CB -0.729 17.722 19.000 -0.916 0.000 0.927 76 A HN 0.185 nan 8.150 nan 0.000 0.497 77 D N -0.664 119.807 120.400 0.120 0.000 2.103 77 D HA 0.159 4.799 4.640 0.000 0.000 0.199 77 D C 1.601 178.047 176.300 0.242 0.000 0.978 77 D CA 2.439 56.570 54.000 0.218 0.000 0.829 77 D CB 0.095 41.026 40.800 0.220 0.000 0.981 77 D HN 0.455 nan 8.370 nan 0.000 0.464 78 G N -1.406 107.480 108.800 0.143 0.000 3.134 78 G HA2 -0.142 3.819 3.960 0.000 0.000 0.195 78 G HA3 -0.142 3.819 3.960 0.000 0.000 0.195 78 G C -2.091 172.777 174.900 -0.054 0.000 1.054 78 G CA -0.262 44.899 45.100 0.102 0.000 0.828 78 G HN 0.242 nan 8.290 nan 0.000 0.462 79 P HA 0.403 nan 4.420 nan 0.000 0.261 79 P C 0.342 177.470 177.300 -0.288 0.000 1.183 79 P CA 0.968 63.763 63.100 -0.509 0.000 0.761 79 P CB 0.791 31.988 31.700 -0.839 0.000 0.785 80 A N 4.500 127.199 122.820 -0.201 0.000 2.488 80 A HA 0.277 4.598 4.320 0.000 0.000 0.249 80 A C 0.456 177.817 177.584 -0.372 0.000 1.083 80 A CA -0.079 51.675 52.037 -0.473 0.000 0.768 80 A CB -1.157 17.503 19.000 -0.567 0.000 1.017 80 A HN 0.680 nan 8.150 nan 0.000 0.496 81 F N -0.054 119.836 119.950 -0.100 0.000 2.953 81 F HA -0.264 4.263 4.527 0.000 0.000 0.292 81 F C 0.969 176.718 175.800 -0.085 0.000 0.747 81 F CA 0.654 58.609 58.000 -0.074 0.000 1.222 81 F CB -1.924 37.061 39.000 -0.025 0.000 1.457 81 F HN 0.298 nan 8.300 nan 0.000 0.383 82 V N -1.650 118.205 119.914 -0.098 0.000 3.058 82 V HA 0.069 4.189 4.120 0.000 0.000 0.233 82 V C 1.258 177.271 176.094 -0.135 0.000 1.255 82 V CA 1.610 63.780 62.300 -0.216 0.000 1.267 82 V CB 0.351 31.783 31.823 -0.650 0.000 1.049 82 V HN 0.300 nan 8.190 nan 0.000 0.486 83 N N 0.079 118.711 118.700 -0.114 0.000 2.273 83 N HA 0.188 4.928 4.740 0.000 0.000 0.192 83 N C 0.239 175.959 175.510 0.350 0.000 1.132 83 N CA -0.043 53.033 53.050 0.043 0.000 0.887 83 N CB 0.672 39.133 38.487 -0.044 0.000 1.048 83 N HN 0.690 nan 8.380 nan 0.000 0.490 84 Q N -1.157 118.732 119.800 0.148 0.000 2.633 84 Q HA 0.453 4.794 4.340 0.000 0.000 0.289 84 Q C -1.570 174.233 176.000 -0.328 0.000 0.940 84 Q CA -0.920 54.902 55.803 0.032 0.000 0.785 84 Q CB 0.821 29.639 28.738 0.132 0.000 1.467 84 Q HN -0.095 nan 8.270 nan 0.000 0.401 85 c N 1.958 120.264 118.600 -0.489 0.000 2.534 85 c HA 0.516 5.086 4.570 0.000 0.000 0.385 85 c C -2.065 171.640 174.090 -0.641 0.000 1.264 85 c CA -0.676 55.290 56.329 -0.604 0.000 2.342 85 c CB -0.010 42.256 42.510 -0.407 0.000 2.564 85 c HN 0.635 nan 8.230 nan 0.000 0.603 86 P HA 0.135 nan 4.420 nan 0.000 0.267 86 P C -0.490 176.644 177.300 -0.276 0.000 1.200 86 P CA 0.245 63.029 63.100 -0.525 0.000 0.772 86 P CB 0.193 31.526 31.700 -0.613 0.000 0.855 87 I N 1.074 121.581 120.570 -0.105 0.000 2.648 87 I HA 0.162 4.332 4.170 0.000 0.000 0.284 87 I C 0.976 177.148 176.117 0.092 0.000 1.153 87 I CA -0.021 61.279 61.300 -0.000 0.000 1.426 87 I CB 0.147 38.223 38.000 0.128 0.000 1.381 87 I HN 0.305 nan 8.210 nan 0.000 0.571 88 A N 5.312 128.202 122.820 0.116 0.000 2.304 88 A HA 0.744 5.065 4.320 0.000 0.000 0.301 88 A C 0.280 177.942 177.584 0.130 0.000 1.132 88 A CA -0.631 51.504 52.037 0.163 0.000 0.819 88 A CB 0.766 19.854 19.000 0.147 0.000 1.094 88 A HN 0.865 nan 8.150 nan 0.000 0.492 89 A N 0.449 123.348 122.820 0.132 0.000 2.546 89 A HA 0.467 4.787 4.320 0.000 0.000 0.243 89 A C 1.579 179.219 177.584 0.093 0.000 1.063 89 A CA 0.994 53.100 52.037 0.115 0.000 0.757 89 A CB -0.770 18.299 19.000 0.114 0.000 0.991 89 A HN 2.737 nan 8.150 nan 0.000 0.503 90 G N 1.714 110.570 108.800 0.093 0.000 2.317 90 G HA2 -0.209 3.751 3.960 0.000 0.000 0.227 90 G HA3 -0.209 3.751 3.960 0.000 0.000 0.227 90 G C 0.632 175.580 174.900 0.081 0.000 1.042 90 G CA 0.394 45.541 45.100 0.078 0.000 0.623 90 G HN 1.240 nan 8.290 nan 0.000 0.509 91 S N 0.205 115.958 115.700 0.090 0.000 2.672 91 S HA 0.761 5.231 4.470 0.000 0.000 0.276 91 S C 0.360 175.037 174.600 0.128 0.000 1.207 91 S CA 0.351 58.609 58.200 0.096 0.000 1.002 91 S CB 1.689 64.939 63.200 0.083 0.000 0.998 91 S HN 1.570 nan 8.310 nan 0.000 0.542 92 S N 0.705 116.493 115.700 0.146 0.000 2.599 92 S HA 0.829 5.299 4.470 0.000 0.000 0.294 92 S C -1.301 173.465 174.600 0.276 0.000 1.094 92 S CA -0.725 57.590 58.200 0.191 0.000 0.931 92 S CB 1.350 64.639 63.200 0.148 0.000 1.093 92 S HN 0.536 nan 8.310 nan 0.000 0.488 93 F N 1.469 121.478 119.950 0.100 0.000 2.574 93 F HA 0.645 5.172 4.527 0.000 0.000 0.313 93 F C -1.556 174.294 175.800 0.084 0.000 1.130 93 F CA -1.345 56.688 58.000 0.055 0.000 0.936 93 F CB 1.703 40.702 39.000 -0.002 0.000 1.219 93 F HN 0.737 nan 8.300 nan 0.000 0.445 94 L N 7.133 127.997 121.223 -0.598 0.000 2.265 94 L HA 0.437 4.777 4.340 0.000 0.000 0.288 94 L C -1.662 174.841 176.870 -0.613 0.000 1.058 94 L CA -0.114 54.482 54.840 -0.406 0.000 0.809 94 L CB 0.234 42.184 42.059 -0.182 0.000 1.179 94 L HN 0.547 nan 8.230 nan 0.000 0.429 95 Y N 3.770 123.993 120.300 -0.128 0.000 2.404 95 Y HA 0.382 4.932 4.550 0.000 0.000 0.344 95 Y C -0.156 175.765 175.900 0.034 0.000 0.970 95 Y CA -0.398 57.743 58.100 0.068 0.000 1.180 95 Y CB 0.951 39.605 38.460 0.324 0.000 1.138 95 Y HN 0.533 nan 8.280 nan 0.000 0.510 96 D N 5.557 126.126 120.400 0.281 0.000 2.481 96 D HA 0.399 5.039 4.640 0.000 0.000 0.246 96 D C -1.375 175.029 176.300 0.174 0.000 1.109 96 D CA -0.409 53.676 54.000 0.141 0.000 0.845 96 D CB 0.502 41.439 40.800 0.228 0.000 1.160 96 D HN 0.318 nan 8.370 nan 0.000 0.534 97 F N 0.121 120.002 119.950 -0.116 0.000 2.665 97 F HA 0.588 5.115 4.527 0.001 0.000 0.308 97 F C -0.866 174.881 175.800 -0.090 0.000 1.112 97 F CA -1.012 56.903 58.000 -0.143 0.000 0.972 97 F CB 0.979 39.810 39.000 -0.281 0.000 1.295 97 F HN -0.014 nan 8.300 nan 0.000 0.440 98 S N 0.198 115.946 115.700 0.079 0.000 2.654 98 S HA 0.695 5.165 4.470 0.000 0.000 0.283 98 S C -0.518 174.145 174.600 0.105 0.000 1.180 98 S CA -0.602 57.618 58.200 0.033 0.000 1.021 98 S CB 1.572 64.791 63.200 0.032 0.000 1.018 98 S HN 0.682 nan 8.310 nan 0.000 0.532 99 T N 3.745 118.352 114.554 0.088 0.000 3.317 99 T HA 0.262 4.612 4.350 0.000 0.000 0.361 99 T C -2.068 172.686 174.700 0.088 0.000 1.499 99 T CA -0.891 61.267 62.100 0.096 0.000 1.529 99 T CB 1.072 69.999 68.868 0.098 0.000 0.997 99 T HN 0.381 nan 8.240 nan 0.000 0.624 100 P HA 0.105 nan 4.420 nan 0.000 0.224 100 P C 1.038 178.386 177.300 0.079 0.000 1.157 100 P CA 0.632 63.773 63.100 0.070 0.000 0.799 100 P CB 0.106 31.846 31.700 0.067 0.000 0.809 101 I N -5.400 115.227 120.570 0.095 0.000 4.147 101 I HA 0.362 4.532 4.170 0.000 0.000 0.329 101 I C 0.187 176.359 176.117 0.093 0.000 1.424 101 I CA -0.438 60.923 61.300 0.102 0.000 1.127 101 I CB 0.076 38.157 38.000 0.136 0.000 1.128 101 I HN -0.248 nan 8.210 nan 0.000 0.417 102 Q N 1.996 121.841 119.800 0.074 0.000 2.377 102 Q HA 0.871 5.211 4.340 0.000 0.000 0.271 102 Q C -1.085 175.002 176.000 0.145 0.000 1.077 102 Q CA -0.825 55.015 55.803 0.061 0.000 0.820 102 Q CB 3.083 31.790 28.738 -0.053 0.000 1.347 102 Q HN 0.471 nan 8.270 nan 0.000 0.444 103 A N 0.791 123.717 122.820 0.176 0.000 2.547 103 A HA 0.943 5.263 4.320 0.000 0.000 0.297 103 A C -0.554 177.112 177.584 0.138 0.000 1.056 103 A CA 0.173 52.336 52.037 0.210 0.000 0.688 103 A CB 1.800 20.882 19.000 0.136 0.000 1.282 103 A HN 0.864 nan 8.150 nan 0.000 0.400 104 G N -0.334 108.555 108.800 0.149 0.000 2.373 104 G HA2 0.496 4.456 3.960 0.000 0.000 0.250 104 G HA3 0.496 4.456 3.960 0.000 0.000 0.250 104 G C -0.714 174.026 174.900 -0.266 0.000 1.304 104 G CA 0.119 45.113 45.100 -0.177 0.000 0.948 104 G HN 1.214 nan 8.290 nan 0.000 0.474 105 T N 0.969 115.199 114.554 -0.541 0.000 2.795 105 T HA 0.741 5.092 4.350 0.000 0.000 0.282 105 T C -0.910 173.352 174.700 -0.731 0.000 0.980 105 T CA 0.223 62.080 62.100 -0.405 0.000 1.012 105 T CB 0.908 69.591 68.868 -0.308 0.000 0.936 105 T HN 0.412 nan 8.240 nan 0.000 0.457 106 F N 1.011 120.882 119.950 -0.133 0.000 2.790 106 F HA 0.812 5.339 4.527 0.000 0.000 0.337 106 F C -0.772 175.147 175.800 0.198 0.000 1.163 106 F CA -1.008 56.894 58.000 -0.164 0.000 0.997 106 F CB 1.580 40.214 39.000 -0.610 0.000 1.437 106 F HN 0.652 nan 8.300 nan 0.000 0.512 107 W N 0.367 121.750 121.300 0.138 0.000 2.923 107 W HA 0.629 5.289 4.660 0.000 0.000 0.373 107 W C -2.471 174.233 176.519 0.309 0.000 1.205 107 W CA -1.818 55.646 57.345 0.199 0.000 1.180 107 W CB 0.500 29.929 29.460 -0.052 0.000 1.477 107 W HN 0.624 nan 8.180 nan 0.000 0.581 108 Y N 0.391 120.804 120.300 0.189 0.000 2.492 108 Y HA 0.760 5.310 4.550 0.000 0.000 0.346 108 Y C -1.006 174.736 175.900 -0.263 0.000 0.997 108 Y CA -1.260 56.724 58.100 -0.194 0.000 1.025 108 Y CB 1.612 40.146 38.460 0.123 0.000 1.263 108 Y HN 0.738 nan 8.280 nan 0.000 0.454 109 H N -0.860 117.940 119.070 -0.451 0.000 3.068 109 H HA 0.492 5.049 4.556 0.000 0.000 0.342 109 H C -1.149 174.045 175.328 -0.223 0.000 1.284 109 H CA -1.029 54.785 56.048 -0.390 0.000 1.181 109 H CB 1.026 30.266 29.762 -0.870 0.000 1.898 109 H HN 0.786 nan 8.280 nan 0.000 0.540 110 S N 0.591 116.364 115.700 0.122 0.000 2.558 110 S HA -0.068 4.403 4.470 0.000 0.000 0.293 110 S C -0.001 174.735 174.600 0.227 0.000 1.292 110 S CA -0.090 58.197 58.200 0.145 0.000 1.063 110 S CB -0.115 63.210 63.200 0.208 0.000 0.831 110 S HN 0.814 nan 8.310 nan 0.000 0.499 111 H N 4.092 123.203 119.070 0.068 0.000 2.481 111 H HA 0.353 4.909 4.556 0.000 0.000 0.273 111 H C -0.809 174.548 175.328 0.048 0.000 1.145 111 H CA -0.368 55.738 56.048 0.096 0.000 0.964 111 H CB 0.179 29.950 29.762 0.015 0.000 1.722 111 H HN 0.490 nan 8.280 nan 0.000 0.573 112 L N 0.758 122.070 121.223 0.148 0.000 2.294 112 L HA 0.322 4.662 4.340 0.000 0.000 0.283 112 L C 0.626 177.556 176.870 0.101 0.000 1.015 112 L CA 0.460 55.360 54.840 0.101 0.000 0.831 112 L CB 1.103 43.191 42.059 0.048 0.000 1.217 112 L HN 0.259 nan 8.230 nan 0.000 0.420 113 S N 2.848 118.620 115.700 0.120 0.000 3.736 113 S HA -0.304 4.166 4.470 0.000 0.000 0.627 113 S C 0.975 175.559 174.600 -0.026 0.000 2.426 113 S CA 1.767 60.010 58.200 0.073 0.000 4.022 113 S CB -1.370 61.878 63.200 0.081 0.000 0.237 113 S HN 1.271 nan 8.310 nan 0.000 0.967 114 T N 0.128 114.638 114.554 -0.074 0.000 3.223 114 T HA 0.358 4.708 4.350 0.000 0.000 0.259 114 T C 1.252 175.836 174.700 -0.194 0.000 1.015 114 T CA 0.933 62.898 62.100 -0.224 0.000 0.908 114 T CB 0.353 69.075 68.868 -0.244 0.000 1.054 114 T HN 0.599 nan 8.240 nan 0.000 0.567 115 Q N 0.922 120.691 119.800 -0.052 0.000 2.135 115 Q HA -0.221 4.120 4.340 0.000 0.000 0.204 115 Q C 1.911 177.954 176.000 0.071 0.000 0.981 115 Q CA 1.912 57.729 55.803 0.023 0.000 0.856 115 Q CB -0.392 28.396 28.738 0.085 0.000 0.902 115 Q HN 0.927 nan 8.270 nan 0.000 0.425 116 Y N -1.345 118.973 120.300 0.031 0.000 2.333 116 Y HA -0.145 4.405 4.550 0.000 0.000 0.290 116 Y C 1.993 177.956 175.900 0.106 0.000 1.144 116 Y CA 0.789 58.943 58.100 0.090 0.000 1.228 116 Y CB -1.017 37.515 38.460 0.119 0.000 0.985 116 Y HN 0.147 nan 8.280 nan 0.000 0.542 117 c N 1.082 119.486 118.600 -0.326 0.000 2.411 117 c HA -0.177 4.393 4.570 0.000 0.000 0.279 117 c C 1.895 176.018 174.090 0.055 0.000 1.288 117 c CA 1.327 57.546 56.329 -0.183 0.000 1.764 117 c CB -0.929 41.362 42.510 -0.365 0.000 1.974 117 c HN 0.584 nan 8.230 nan 0.000 0.498 118 D N -0.387 120.043 120.400 0.051 0.000 2.349 118 D HA 0.205 4.845 4.640 0.000 0.000 0.224 118 D C 1.651 178.127 176.300 0.293 0.000 1.029 118 D CA 1.203 55.266 54.000 0.105 0.000 0.879 118 D CB 0.015 40.851 40.800 0.060 0.000 0.906 118 D HN 0.648 nan 8.370 nan 0.000 0.528 119 G N 1.039 110.045 108.800 0.342 0.000 2.173 119 G HA2 -0.200 3.760 3.960 0.000 0.000 0.142 119 G HA3 -0.200 3.760 3.960 0.000 0.000 0.142 119 G C -0.061 175.024 174.900 0.307 0.000 1.019 119 G CA -0.494 44.862 45.100 0.426 0.000 0.699 119 G HN 0.143 nan 8.290 nan 0.000 0.495 120 D N 1.639 122.214 120.400 0.292 0.000 2.597 120 D HA 0.288 4.928 4.640 0.000 0.000 0.228 120 D C 0.893 177.353 176.300 0.267 0.000 1.120 120 D CA 0.290 54.451 54.000 0.267 0.000 1.083 120 D CB -0.367 40.580 40.800 0.245 0.000 1.116 120 D HN 0.783 nan 8.370 nan 0.000 0.487 121 R N 0.218 120.829 120.500 0.185 0.000 2.594 121 R HA 0.731 5.071 4.340 0.000 0.000 0.265 121 R C -0.594 175.615 176.300 -0.151 0.000 1.070 121 R CA -1.246 54.907 56.100 0.089 0.000 0.909 121 R CB 1.280 31.805 30.300 0.375 0.000 1.243 121 R HN 0.085 nan 8.270 nan 0.000 0.455 122 G N 1.515 109.996 108.800 -0.532 0.000 2.576 122 G HA2 0.600 4.560 3.960 0.000 0.000 0.290 122 G HA3 0.600 4.560 3.960 0.000 0.000 0.290 122 G C -3.231 171.518 174.900 -0.250 0.000 1.442 122 G CA -1.243 43.580 45.100 -0.461 0.000 0.792 122 G HN 0.419 nan 8.290 nan 0.000 0.491 123 P HA 0.660 nan 4.420 nan 0.000 0.278 123 P C -1.539 176.072 177.300 0.518 0.000 1.258 123 P CA -0.580 62.678 63.100 0.264 0.000 0.811 123 P CB 1.648 33.427 31.700 0.131 0.000 1.063 124 F N 0.743 120.898 119.950 0.341 0.000 2.689 124 F HA 0.361 4.888 4.527 0.001 0.000 0.332 124 F C -1.839 174.132 175.800 0.284 0.000 1.209 124 F CA -0.954 57.263 58.000 0.362 0.000 1.028 124 F CB 1.040 40.344 39.000 0.508 0.000 1.291 124 F HN -0.044 nan 8.300 nan 0.000 0.500 125 V N 6.173 126.417 119.914 0.549 0.000 2.588 125 V HA 0.587 4.707 4.120 0.000 0.000 0.304 125 V C -0.907 175.302 176.094 0.191 0.000 1.042 125 V CA -0.897 61.546 62.300 0.238 0.000 0.877 125 V CB 1.948 33.674 31.823 -0.161 0.000 0.996 125 V HN 0.487 nan 8.190 nan 0.000 0.425 126 V N 5.418 125.461 119.914 0.215 0.000 2.334 126 V HA 0.432 4.553 4.120 0.000 0.000 0.281 126 V C -0.721 175.408 176.094 0.059 0.000 1.016 126 V CA -0.752 61.689 62.300 0.236 0.000 0.832 126 V CB 0.982 33.006 31.823 0.336 0.000 0.999 126 V HN 0.719 nan 8.190 nan 0.000 0.439 127 Y N 2.040 122.470 120.300 0.217 0.000 2.304 127 Y HA 0.376 4.926 4.550 0.001 0.000 0.327 127 Y C 0.613 176.589 175.900 0.127 0.000 1.209 127 Y CA -0.369 57.820 58.100 0.148 0.000 1.299 127 Y CB 0.728 39.255 38.460 0.111 0.000 1.249 127 Y HN 0.549 nan 8.280 nan 0.000 0.519 128 D N 3.496 124.052 120.400 0.260 0.000 2.412 128 D HA 0.271 4.912 4.640 0.000 0.000 0.224 128 D C -2.067 174.318 176.300 0.141 0.000 1.093 128 D CA -2.573 51.528 54.000 0.170 0.000 0.850 128 D CB 1.484 42.361 40.800 0.129 0.000 1.046 128 D HN 0.204 nan 8.370 nan 0.000 0.507 129 P HA -0.043 nan 4.420 nan 0.000 0.223 129 P C 0.129 177.454 177.300 0.042 0.000 1.144 129 P CA 0.794 63.932 63.100 0.063 0.000 0.783 129 P CB 0.305 32.032 31.700 0.045 0.000 0.771 130 N N -0.945 117.784 118.700 0.049 0.000 2.351 130 N HA 0.020 4.760 4.740 0.000 0.000 0.254 130 N C -0.246 175.287 175.510 0.037 0.000 1.241 130 N CA -0.100 52.969 53.050 0.031 0.000 0.883 130 N CB 0.027 38.530 38.487 0.027 0.000 1.202 130 N HN 0.136 nan 8.380 nan 0.000 0.512 131 D N 2.100 122.534 120.400 0.057 0.000 2.520 131 D HA -0.021 4.619 4.640 0.000 0.000 0.243 131 D C -1.283 175.040 176.300 0.039 0.000 1.160 131 D CA -0.804 53.238 54.000 0.071 0.000 0.877 131 D CB 1.661 42.536 40.800 0.126 0.000 1.150 131 D HN 0.090 nan 8.370 nan 0.000 0.494 132 P HA -0.047 nan 4.420 nan 0.000 0.220 132 P C 0.737 178.049 177.300 0.020 0.000 1.148 132 P CA 0.643 63.758 63.100 0.025 0.000 0.803 132 P CB 0.373 32.092 31.700 0.031 0.000 0.782 133 S N -1.199 114.531 115.700 0.050 0.000 2.577 133 S HA 0.271 4.741 4.470 0.000 0.000 0.219 133 S C 1.750 176.316 174.600 -0.056 0.000 0.962 133 S CA 0.274 58.512 58.200 0.064 0.000 0.921 133 S CB -0.418 62.881 63.200 0.165 0.000 0.789 133 S HN 0.103 nan 8.310 nan 0.000 0.497 134 A N 3.438 126.170 122.820 -0.147 0.000 1.986 134 A HA -0.194 4.127 4.320 0.000 0.000 0.220 134 A C 1.871 179.100 177.584 -0.593 0.000 1.171 134 A CA 1.778 53.551 52.037 -0.439 0.000 0.640 134 A CB -0.572 18.304 19.000 -0.206 0.000 0.811 134 A HN 0.664 nan 8.150 nan 0.000 0.451 135 N N 0.185 118.697 118.700 -0.312 0.000 2.521 135 N HA 0.013 4.753 4.740 0.000 0.000 0.188 135 N C 0.894 176.276 175.510 -0.213 0.000 1.146 135 N CA 0.615 53.525 53.050 -0.235 0.000 0.893 135 N CB -0.455 37.958 38.487 -0.124 0.000 0.975 135 N HN 0.519 nan 8.380 nan 0.000 0.451 136 L N -0.818 120.253 121.223 -0.253 0.000 2.607 136 L HA 0.235 4.575 4.340 0.000 0.000 0.228 136 L C -0.367 176.526 176.870 0.039 0.000 1.123 136 L CA -0.241 54.569 54.840 -0.050 0.000 0.890 136 L CB -0.250 41.867 42.059 0.096 0.000 1.103 136 L HN 0.154 nan 8.230 nan 0.000 0.468 137 Y N -5.175 115.086 120.300 -0.065 0.000 2.638 137 Y HA 0.411 4.961 4.550 0.000 0.000 0.335 137 Y C -0.174 175.633 175.900 -0.155 0.000 1.155 137 Y CA -1.309 56.719 58.100 -0.120 0.000 1.046 137 Y CB 0.553 38.931 38.460 -0.137 0.000 1.303 137 Y HN -0.208 nan 8.280 nan 0.000 0.460 138 D N 0.463 120.824 120.400 -0.065 0.000 2.422 138 D HA 0.183 4.824 4.640 0.000 0.000 0.218 138 D C -0.440 175.777 176.300 -0.137 0.000 1.047 138 D CA 0.830 54.738 54.000 -0.153 0.000 0.885 138 D CB 1.592 42.261 40.800 -0.218 0.000 1.035 138 D HN 0.252 nan 8.370 nan 0.000 0.502 139 V N 1.337 121.148 119.914 -0.172 0.000 2.577 139 V HA 0.386 4.506 4.120 0.000 0.000 0.303 139 V C -1.231 174.793 176.094 -0.116 0.000 1.042 139 V CA -0.773 61.404 62.300 -0.205 0.000 0.872 139 V CB 2.608 34.154 31.823 -0.460 0.000 0.998 139 V HN -0.114 nan 8.190 nan 0.000 0.423 140 D N 3.789 124.162 120.400 -0.046 0.000 2.354 140 D HA 0.467 5.107 4.640 0.000 0.000 0.230 140 D C -0.905 175.396 176.300 0.001 0.000 1.361 140 D CA -0.187 53.789 54.000 -0.039 0.000 0.992 140 D CB 1.214 42.041 40.800 0.045 0.000 1.409 140 D HN 0.726 nan 8.370 nan 0.000 0.573 141 N N 2.225 120.946 118.700 0.034 0.000 3.449 141 N HA 0.223 4.963 4.740 0.000 0.000 0.312 141 N C 0.683 176.262 175.510 0.114 0.000 1.582 141 N CA -0.756 52.321 53.050 0.046 0.000 0.850 141 N CB 0.248 38.726 38.487 -0.014 0.000 1.822 141 N HN 0.091 nan 8.380 nan 0.000 0.577 142 L N -0.350 120.931 121.223 0.098 0.000 2.043 142 L HA -0.133 4.207 4.340 0.000 0.000 0.212 142 L C 0.959 177.880 176.870 0.086 0.000 1.075 142 L CA 1.628 56.529 54.840 0.102 0.000 0.752 142 L CB -0.862 41.241 42.059 0.074 0.000 0.891 142 L HN 0.568 nan 8.230 nan 0.000 0.432 143 N N -0.376 118.369 118.700 0.076 0.000 2.521 143 N HA -0.078 4.662 4.740 0.000 0.000 0.188 143 N C 1.595 177.188 175.510 0.139 0.000 1.146 143 N CA 1.338 54.440 53.050 0.087 0.000 0.893 143 N CB -0.030 38.502 38.487 0.074 0.000 0.975 143 N HN 0.488 nan 8.380 nan 0.000 0.451 144 T N -2.982 111.641 114.554 0.114 0.000 3.069 144 T HA 0.148 4.498 4.350 0.000 0.000 0.252 144 T C 0.634 175.439 174.700 0.175 0.000 1.053 144 T CA -0.382 61.803 62.100 0.142 0.000 0.964 144 T CB -0.196 68.573 68.868 -0.166 0.000 1.005 144 T HN -0.085 nan 8.240 nan 0.000 0.532 145 V N 1.960 121.935 119.914 0.101 0.000 2.432 145 V HA 0.608 4.729 4.120 0.000 0.000 0.275 145 V C -0.754 175.346 176.094 0.010 0.000 1.043 145 V CA -1.145 61.177 62.300 0.038 0.000 0.925 145 V CB 0.456 32.298 31.823 0.031 0.000 0.985 145 V HN 0.431 nan 8.190 nan 0.000 0.466 146 I N 6.918 127.455 120.570 -0.055 0.000 2.382 146 I HA 0.386 4.556 4.170 0.000 0.000 0.285 146 I C 0.363 176.384 176.117 -0.159 0.000 1.007 146 I CA -0.363 60.877 61.300 -0.100 0.000 1.142 146 I CB 1.985 39.906 38.000 -0.131 0.000 1.289 146 I HN 0.800 nan 8.210 nan 0.000 0.453 147 T N 5.103 119.569 114.554 -0.147 0.000 2.907 147 T HA 0.742 5.092 4.350 0.000 0.000 0.284 147 T C -0.467 174.093 174.700 -0.233 0.000 1.004 147 T CA -0.732 61.245 62.100 -0.205 0.000 1.063 147 T CB 1.404 70.172 68.868 -0.166 0.000 0.992 147 T HN 0.337 nan 8.240 nan 0.000 0.483 148 L N 2.199 123.233 121.223 -0.314 0.000 2.341 148 L HA 0.625 4.966 4.340 0.000 0.000 0.278 148 L C -0.019 176.680 176.870 -0.285 0.000 1.005 148 L CA -0.799 53.812 54.840 -0.382 0.000 0.818 148 L CB 2.254 43.945 42.059 -0.614 0.000 1.259 148 L HN 0.764 nan 8.230 nan 0.000 0.418 149 T N 0.674 115.114 114.554 -0.191 0.000 2.881 149 T HA 0.275 4.626 4.350 0.000 0.000 0.290 149 T C -1.169 173.579 174.700 0.079 0.000 1.000 149 T CA -0.722 61.367 62.100 -0.018 0.000 0.978 149 T CB 1.571 70.444 68.868 0.009 0.000 0.997 149 T HN 0.597 nan 8.240 nan 0.000 0.443 150 D N 2.077 122.568 120.400 0.151 0.000 2.347 150 D HA 0.080 4.720 4.640 0.000 0.000 0.235 150 D C -0.521 175.713 176.300 -0.109 0.000 1.149 150 D CA -0.580 53.433 54.000 0.022 0.000 0.850 150 D CB 0.799 41.610 40.800 0.018 0.000 1.061 150 D HN 0.476 nan 8.370 nan 0.000 0.487 151 W N 3.993 125.042 121.300 -0.418 0.000 2.478 151 W HA 0.375 5.035 4.660 0.000 0.000 0.318 151 W C -1.614 174.587 176.519 -0.531 0.000 1.062 151 W CA -0.943 56.206 57.345 -0.325 0.000 1.210 151 W CB 1.228 30.608 29.460 -0.134 0.000 1.325 151 W HN 0.290 nan 8.180 nan 0.000 0.496 152 Y N 3.358 123.181 120.300 -0.794 0.000 2.352 152 Y HA 0.184 4.734 4.550 0.000 0.000 0.339 152 Y C 1.211 176.706 175.900 -0.675 0.000 0.992 152 Y CA -0.544 57.188 58.100 -0.613 0.000 1.100 152 Y CB 1.546 39.779 38.460 -0.378 0.000 1.192 152 Y HN 0.470 nan 8.280 nan 0.000 0.458 153 H N 0.242 119.166 119.070 -0.245 0.000 2.428 153 H HA 0.009 4.565 4.556 0.000 0.000 0.296 153 H C 0.022 175.288 175.328 -0.103 0.000 1.062 153 H CA 0.770 56.685 56.048 -0.221 0.000 1.350 153 H CB 0.423 29.945 29.762 -0.400 0.000 1.403 153 H HN 0.494 nan 8.280 nan 0.000 0.533 154 T N 1.118 115.684 114.554 0.019 0.000 2.837 154 T HA 0.497 4.848 4.350 0.000 0.000 0.285 154 T C 0.224 174.884 174.700 -0.067 0.000 0.984 154 T CA -0.610 61.485 62.100 -0.008 0.000 1.049 154 T CB 1.702 70.557 68.868 -0.022 0.000 0.947 154 T HN 0.309 nan 8.240 nan 0.000 0.472 155 A N 2.162 124.950 122.820 -0.054 0.000 2.492 155 A HA 0.532 4.853 4.320 0.000 0.000 0.236 155 A C 1.784 179.310 177.584 -0.096 0.000 1.078 155 A CA 0.096 52.089 52.037 -0.074 0.000 0.773 155 A CB -0.428 18.551 19.000 -0.036 0.000 1.023 155 A HN 1.085 nan 8.150 nan 0.000 0.504 156 A N 0.253 123.016 122.820 -0.095 0.000 1.873 156 A HA -0.197 4.124 4.320 0.000 0.000 0.218 156 A C 1.831 179.390 177.584 -0.042 0.000 1.193 156 A CA 1.938 53.936 52.037 -0.065 0.000 0.629 156 A CB -0.629 18.332 19.000 -0.064 0.000 0.826 156 A HN 0.859 nan 8.150 nan 0.000 0.447 157 Q N -0.863 118.905 119.800 -0.053 0.000 2.444 157 Q HA 0.014 4.354 4.340 0.000 0.000 0.206 157 Q C 0.801 176.773 176.000 -0.048 0.000 0.948 157 Q CA 0.326 56.098 55.803 -0.051 0.000 0.946 157 Q CB -0.007 28.680 28.738 -0.085 0.000 1.027 157 Q HN 0.574 nan 8.270 nan 0.000 0.513 158 N N -0.134 118.535 118.700 -0.052 0.000 2.454 158 N HA 0.032 4.772 4.740 0.000 0.000 0.177 158 N C 0.648 176.125 175.510 -0.054 0.000 1.049 158 N CA 0.553 53.579 53.050 -0.041 0.000 0.887 158 N CB 0.445 38.916 38.487 -0.028 0.000 1.095 158 N HN 0.166 nan 8.380 nan 0.000 0.446 159 G N 1.084 109.831 108.800 -0.089 0.000 2.509 159 G HA2 0.380 4.340 3.960 0.000 0.000 0.269 159 G HA3 0.380 4.340 3.960 0.000 0.000 0.269 159 G C -2.218 172.602 174.900 -0.134 0.000 1.416 159 G CA -0.547 44.484 45.100 -0.116 0.000 1.052 159 G HN 0.011 nan 8.290 nan 0.000 0.542 160 P HA 0.247 nan 4.420 nan 0.000 0.271 160 P C 0.558 177.722 177.300 -0.226 0.000 1.218 160 P CA 0.221 63.224 63.100 -0.162 0.000 0.780 160 P CB 1.364 32.968 31.700 -0.160 0.000 0.901 161 A N 2.653 125.390 122.820 -0.139 0.000 1.972 161 A HA -0.122 4.198 4.320 0.000 0.000 0.219 161 A C 0.860 178.334 177.584 -0.183 0.000 1.169 161 A CA 1.441 53.418 52.037 -0.099 0.000 0.635 161 A CB -0.491 18.512 19.000 0.004 0.000 0.810 161 A HN 0.506 nan 8.150 nan 0.000 0.446 162 K N -0.553 119.722 120.400 -0.208 0.000 2.624 162 K HA 0.384 4.704 4.320 0.000 0.000 0.200 162 K C -2.295 174.113 176.600 -0.319 0.000 1.036 162 K CA -1.586 54.560 56.287 -0.235 0.000 1.029 162 K CB 1.353 33.839 32.500 -0.023 0.000 1.317 162 K HN 0.031 nan 8.250 nan 0.000 0.555 163 P HA -0.151 nan 4.420 nan 0.000 0.216 163 P C 0.246 177.435 177.300 -0.185 0.000 1.153 163 P CA 1.082 63.935 63.100 -0.411 0.000 0.858 163 P CB 0.175 31.498 31.700 -0.629 0.000 0.789 164 G N -0.886 107.828 108.800 -0.143 0.000 2.367 164 G HA2 0.163 4.123 3.960 0.000 0.000 0.295 164 G HA3 0.163 4.123 3.960 0.000 0.000 0.295 164 G C 0.380 175.258 174.900 -0.037 0.000 1.019 164 G CA 0.192 45.253 45.100 -0.064 0.000 1.224 164 G HN 0.721 nan 8.290 nan 0.000 0.510 165 G N -1.653 107.154 108.800 0.011 0.000 2.841 165 G HA2 0.599 4.559 3.960 0.000 0.000 0.684 165 G HA3 0.599 4.559 3.960 0.000 0.000 0.684 165 G C -0.054 174.873 174.900 0.046 0.000 1.273 165 G CA 0.610 45.706 45.100 -0.007 0.000 0.811 165 G HN 2.244 nan 8.290 nan 0.000 0.631 166 A N 0.875 123.613 122.820 -0.137 0.000 2.269 166 A HA 0.811 5.131 4.320 0.000 0.000 0.319 166 A C 1.070 178.471 177.584 -0.306 0.000 1.110 166 A CA 0.293 52.056 52.037 -0.457 0.000 0.847 166 A CB 0.744 19.280 19.000 -0.774 0.000 1.161 166 A HN 0.632 nan 8.150 nan 0.000 0.497 167 D N 0.061 120.219 120.400 -0.403 0.000 2.103 167 D HA 0.164 4.804 4.640 0.000 0.000 0.199 167 D C 0.668 176.822 176.300 -0.243 0.000 0.978 167 D CA 2.016 55.790 54.000 -0.376 0.000 0.829 167 D CB 0.102 40.403 40.800 -0.831 0.000 0.981 167 D HN 0.649 nan 8.370 nan 0.000 0.464 168 A N 0.267 122.969 122.820 -0.198 0.000 2.427 168 A HA 0.471 4.791 4.320 0.000 0.000 0.298 168 A C -0.392 177.188 177.584 -0.007 0.000 1.036 168 A CA -0.565 51.444 52.037 -0.047 0.000 0.701 168 A CB 1.481 20.509 19.000 0.046 0.000 1.250 168 A HN -0.128 nan 8.150 nan 0.000 0.412 169 T N 3.002 117.562 114.554 0.011 0.000 2.870 169 T HA 0.444 4.794 4.350 0.000 0.000 0.300 169 T C -0.015 174.677 174.700 -0.014 0.000 0.989 169 T CA 0.426 62.546 62.100 0.033 0.000 1.139 169 T CB -0.160 68.750 68.868 0.069 0.000 0.920 169 T HN 0.412 nan 8.240 nan 0.000 0.537 170 L N 4.205 125.398 121.223 -0.050 0.000 2.322 170 L HA 0.587 4.928 4.340 0.000 0.000 0.281 170 L C -0.236 176.560 176.870 -0.124 0.000 1.014 170 L CA -0.836 53.951 54.840 -0.087 0.000 0.815 170 L CB 1.285 43.268 42.059 -0.127 0.000 1.247 170 L HN 0.499 nan 8.230 nan 0.000 0.421 171 I N 3.591 124.105 120.570 -0.093 0.000 2.378 171 I HA 0.279 4.449 4.170 0.000 0.000 0.291 171 I C 0.026 176.099 176.117 -0.073 0.000 0.992 171 I CA -0.584 60.664 61.300 -0.087 0.000 1.154 171 I CB 1.375 39.352 38.000 -0.038 0.000 1.315 171 I HN 0.646 nan 8.210 nan 0.000 0.448 172 N N 5.065 123.716 118.700 -0.082 0.000 2.710 172 N HA -0.220 4.521 4.740 0.000 0.000 0.249 172 N C 0.869 176.336 175.510 -0.072 0.000 1.059 172 N CA 1.427 54.438 53.050 -0.066 0.000 0.720 172 N CB -0.902 37.560 38.487 -0.041 0.000 0.983 172 N HN 1.162 nan 8.380 nan 0.000 0.544 173 G N -1.623 107.115 108.800 -0.103 0.000 2.176 173 G HA2 -0.298 3.662 3.960 0.000 0.000 0.253 173 G HA3 -0.298 3.662 3.960 0.000 0.000 0.253 173 G C -0.219 174.593 174.900 -0.147 0.000 0.979 173 G CA 0.489 45.507 45.100 -0.137 0.000 0.641 173 G HN 0.545 nan 8.290 nan 0.000 0.530 174 Q N -0.893 118.846 119.800 -0.102 0.000 2.345 174 Q HA 0.642 4.982 4.340 0.000 0.000 0.275 174 Q C 0.061 176.034 176.000 -0.045 0.000 1.063 174 Q CA -0.275 55.485 55.803 -0.072 0.000 0.819 174 Q CB 2.502 31.216 28.738 -0.039 0.000 1.356 174 Q HN 0.960 nan 8.270 nan 0.000 0.418 175 G N 1.018 109.804 108.800 -0.023 0.000 2.489 175 G HA2 0.608 4.568 3.960 0.000 0.000 0.305 175 G HA3 0.608 4.568 3.960 0.000 0.000 0.305 175 G C -1.906 173.013 174.900 0.033 0.000 1.311 175 G CA -0.670 44.433 45.100 0.005 0.000 0.813 175 G HN 0.378 nan 8.290 nan 0.000 0.480 176 R N -1.172 119.352 120.500 0.039 0.000 2.795 176 R HA 0.659 5.000 4.340 0.000 0.000 0.275 176 R C 0.626 176.959 176.300 0.055 0.000 0.981 176 R CA 0.889 57.021 56.100 0.053 0.000 0.917 176 R CB 1.895 32.222 30.300 0.044 0.000 1.202 176 R HN 2.170 nan 8.270 nan 0.000 0.469 177 G N 2.757 111.604 108.800 0.078 0.000 2.601 177 G HA2 -0.244 3.716 3.960 0.000 0.000 0.252 177 G HA3 -0.244 3.716 3.960 0.000 0.000 0.252 177 G C -1.902 173.042 174.900 0.074 0.000 1.294 177 G CA -0.251 44.890 45.100 0.069 0.000 0.912 177 G HN 0.544 nan 8.290 nan 0.000 0.574 178 P HA 0.180 nan 4.420 nan 0.000 0.253 178 P C 1.249 178.573 177.300 0.040 0.000 1.260 178 P CA 1.435 64.549 63.100 0.024 0.000 0.800 178 P CB 0.210 31.908 31.700 -0.005 0.000 1.162 179 S N -1.580 114.162 115.700 0.069 0.000 2.540 179 S HA 0.131 4.602 4.470 0.000 0.000 0.218 179 S C 0.743 175.387 174.600 0.074 0.000 0.977 179 S CA 0.046 58.285 58.200 0.065 0.000 0.918 179 S CB -0.653 62.588 63.200 0.069 0.000 0.806 179 S HN 0.072 nan 8.310 nan 0.000 0.496 180 S N 0.827 116.577 115.700 0.084 0.000 2.472 180 S HA 0.405 4.875 4.470 0.000 0.000 0.191 180 S C -2.417 172.223 174.600 0.067 0.000 1.244 180 S CA -0.745 57.504 58.200 0.080 0.000 1.227 180 S CB 0.933 64.198 63.200 0.109 0.000 1.381 180 S HN 0.255 nan 8.310 nan 0.000 0.394 181 P HA 0.071 nan 4.420 nan 0.000 0.252 181 P C 0.784 178.114 177.300 0.050 0.000 1.265 181 P CA 0.374 63.501 63.100 0.044 0.000 0.775 181 P CB -0.237 31.482 31.700 0.032 0.000 1.128 182 S N -2.259 113.472 115.700 0.050 0.000 2.650 182 S HA 0.464 4.934 4.470 0.000 0.000 0.240 182 S C 0.841 175.470 174.600 0.048 0.000 1.007 182 S CA -0.446 57.783 58.200 0.048 0.000 0.984 182 S CB -0.189 63.035 63.200 0.039 0.000 0.910 182 S HN 0.139 nan 8.310 nan 0.000 0.509 183 A N 1.534 124.386 122.820 0.054 0.000 2.366 183 A HA 0.460 4.780 4.320 0.000 0.000 0.249 183 A C -0.118 177.493 177.584 0.046 0.000 1.084 183 A CA -0.346 51.721 52.037 0.050 0.000 0.794 183 A CB -0.060 18.976 19.000 0.060 0.000 1.034 183 A HN 0.428 nan 8.150 nan 0.000 0.491 184 D N 0.466 120.887 120.400 0.034 0.000 2.455 184 D HA 0.316 4.956 4.640 0.000 0.000 0.241 184 D C -0.087 176.233 176.300 0.033 0.000 1.138 184 D CA 0.778 54.796 54.000 0.029 0.000 0.877 184 D CB 0.455 41.264 40.800 0.015 0.000 1.187 184 D HN 0.362 nan 8.370 nan 0.000 0.451 185 L N 1.249 122.499 121.223 0.044 0.000 2.344 185 L HA 0.509 4.849 4.340 0.000 0.000 0.272 185 L C 0.666 177.553 176.870 0.028 0.000 1.035 185 L CA -1.137 53.736 54.840 0.056 0.000 0.807 185 L CB 1.299 43.427 42.059 0.114 0.000 1.237 185 L HN 0.326 nan 8.230 nan 0.000 0.442 186 A N 2.213 125.045 122.820 0.019 0.000 2.440 186 A HA 0.489 4.809 4.320 0.000 0.000 0.251 186 A C -0.362 177.220 177.584 -0.004 0.000 1.089 186 A CA -0.205 51.832 52.037 -0.001 0.000 0.779 186 A CB 0.315 19.307 19.000 -0.013 0.000 1.022 186 A HN 0.403 nan 8.150 nan 0.000 0.492 187 V N 3.997 123.902 119.914 -0.015 0.000 2.448 187 V HA 0.387 4.508 4.120 0.000 0.000 0.295 187 V C -0.199 175.875 176.094 -0.034 0.000 1.025 187 V CA -0.171 62.112 62.300 -0.028 0.000 0.859 187 V CB 1.363 33.170 31.823 -0.026 0.000 0.988 187 V HN 0.719 nan 8.190 nan 0.000 0.431 188 I N 3.288 123.824 120.570 -0.057 0.000 2.362 188 I HA 0.383 4.554 4.170 0.000 0.000 0.289 188 I C 0.230 176.300 176.117 -0.079 0.000 0.994 188 I CA -0.039 61.221 61.300 -0.065 0.000 1.158 188 I CB 1.936 39.855 38.000 -0.134 0.000 1.315 188 I HN 0.516 nan 8.210 nan 0.000 0.451 189 S N 5.651 121.316 115.700 -0.058 0.000 2.525 189 S HA 0.594 5.064 4.470 0.000 0.000 0.278 189 S C -0.228 174.255 174.600 -0.196 0.000 1.234 189 S CA -0.676 57.475 58.200 -0.081 0.000 1.058 189 S CB 1.484 64.669 63.200 -0.024 0.000 0.983 189 S HN 0.467 nan 8.310 nan 0.000 0.495 190 V N 0.816 120.563 119.914 -0.278 0.000 2.962 190 V HA 0.767 4.887 4.120 0.000 0.000 0.313 190 V C -0.407 175.572 176.094 -0.191 0.000 1.099 190 V CA -0.772 61.269 62.300 -0.433 0.000 0.971 190 V CB 1.841 33.201 31.823 -0.772 0.000 1.028 190 V HN 0.655 nan 8.190 nan 0.000 0.430 191 T N 3.161 117.754 114.554 0.065 0.000 2.758 191 T HA 0.704 5.054 4.350 0.000 0.000 0.285 191 T C 0.408 175.168 174.700 0.101 0.000 0.981 191 T CA 0.302 62.456 62.100 0.090 0.000 0.965 191 T CB 1.168 70.110 68.868 0.124 0.000 0.927 191 T HN 1.483 nan 8.240 nan 0.000 0.448 192 A N 2.402 125.328 122.820 0.176 0.000 2.573 192 A HA 0.456 4.776 4.320 0.000 0.000 0.250 192 A C 1.617 179.312 177.584 0.186 0.000 1.049 192 A CA 0.649 52.868 52.037 0.303 0.000 0.767 192 A CB -0.936 18.294 19.000 0.382 0.000 0.965 192 A HN 1.602 nan 8.150 nan 0.000 0.514 193 G N 1.990 110.896 108.800 0.177 0.000 2.232 193 G HA2 -0.179 3.782 3.960 0.000 0.000 0.226 193 G HA3 -0.179 3.782 3.960 0.000 0.000 0.226 193 G C 0.332 175.271 174.900 0.066 0.000 0.996 193 G CA 0.315 45.481 45.100 0.109 0.000 0.626 193 G HN 0.745 nan 8.290 nan 0.000 0.509 194 K N 0.781 121.220 120.400 0.066 0.000 2.118 194 K HA 0.647 4.967 4.320 0.000 0.000 0.264 194 K C 0.486 177.040 176.600 -0.076 0.000 1.000 194 K CA -0.441 55.799 56.287 -0.079 0.000 0.929 194 K CB 1.047 33.407 32.500 -0.233 0.000 1.021 194 K HN 0.392 nan 8.250 nan 0.000 0.463 195 R N 1.329 121.693 120.500 -0.227 0.000 2.460 195 R HA 0.379 4.719 4.340 0.000 0.000 0.303 195 R C -0.842 175.234 176.300 -0.374 0.000 0.968 195 R CA -0.604 55.431 56.100 -0.107 0.000 0.889 195 R CB 0.935 31.237 30.300 0.004 0.000 1.123 195 R HN 0.431 nan 8.270 nan 0.000 0.455 196 Y N 0.663 120.863 120.300 -0.168 0.000 2.409 196 Y HA 0.346 4.897 4.550 0.000 0.000 0.343 196 Y C 0.195 175.733 175.900 -0.603 0.000 0.973 196 Y CA -0.949 56.857 58.100 -0.490 0.000 1.064 196 Y CB 1.749 39.616 38.460 -0.990 0.000 1.207 196 Y HN 0.305 nan 8.280 nan 0.000 0.452 197 R N 3.831 123.950 120.500 -0.635 0.000 2.296 197 R HA 0.326 4.666 4.340 0.000 0.000 0.327 197 R C -1.596 174.316 176.300 -0.646 0.000 1.137 197 R CA -0.363 55.272 56.100 -0.775 0.000 1.020 197 R CB -0.238 29.280 30.300 -1.304 0.000 1.110 197 R HN 0.486 nan 8.270 nan 0.000 0.499 198 F N 3.332 122.935 119.950 -0.578 0.000 2.445 198 F HA 0.284 4.811 4.527 0.000 0.000 0.359 198 F C 0.783 176.175 175.800 -0.681 0.000 1.101 198 F CA -0.316 57.268 58.000 -0.694 0.000 1.177 198 F CB 1.025 39.386 39.000 -1.064 0.000 1.110 198 F HN 0.243 nan 8.300 nan 0.000 0.522 199 R N 4.204 124.582 120.500 -0.204 0.000 2.280 199 R HA 0.353 4.693 4.340 0.000 0.000 0.326 199 R C -1.031 175.165 176.300 -0.173 0.000 1.080 199 R CA -0.846 55.139 56.100 -0.193 0.000 1.002 199 R CB 0.738 30.948 30.300 -0.151 0.000 1.136 199 R HN 0.450 nan 8.270 nan 0.000 0.509 200 L N 4.282 125.397 121.223 -0.180 0.000 2.265 200 L HA 0.304 4.645 4.340 0.000 0.000 0.288 200 L C -0.801 175.923 176.870 -0.244 0.000 1.058 200 L CA -0.281 54.428 54.840 -0.218 0.000 0.809 200 L CB 1.407 43.326 42.059 -0.232 0.000 1.179 200 L HN 0.245 nan 8.230 nan 0.000 0.429 201 V N 3.318 123.050 119.914 -0.303 0.000 2.487 201 V HA 0.453 4.573 4.120 0.000 0.000 0.298 201 V C 0.055 175.853 176.094 -0.492 0.000 1.028 201 V CA -0.690 61.360 62.300 -0.416 0.000 0.860 201 V CB 1.442 33.011 31.823 -0.423 0.000 0.991 201 V HN 0.785 nan 8.190 nan 0.000 0.427 202 S N 3.390 118.758 115.700 -0.554 0.000 2.400 202 S HA 0.233 4.704 4.470 0.000 0.000 0.295 202 S C 0.695 174.729 174.600 -0.943 0.000 1.113 202 S CA -0.606 57.274 58.200 -0.533 0.000 1.064 202 S CB -0.063 62.957 63.200 -0.300 0.000 0.990 202 S HN 0.708 nan 8.310 nan 0.000 0.502 203 N N 3.143 121.346 118.700 -0.830 0.000 2.362 203 N HA 0.043 4.783 4.740 0.000 0.000 0.211 203 N C 0.149 175.461 175.510 -0.330 0.000 1.170 203 N CA 0.082 52.529 53.050 -1.005 0.000 0.828 203 N CB 0.311 38.514 38.487 -0.473 0.000 1.034 203 N HN 0.553 nan 8.380 nan 0.000 0.475 204 S N -0.569 115.014 115.700 -0.196 0.000 2.549 204 S HA 0.057 4.527 4.470 0.000 0.000 0.279 204 S C 1.407 176.141 174.600 0.224 0.000 1.321 204 S CA -0.491 57.765 58.200 0.093 0.000 1.054 204 S CB 0.568 63.856 63.200 0.147 0.000 0.899 204 S HN 0.346 nan 8.310 nan 0.000 0.497 205 c N 3.575 122.278 118.600 0.172 0.000 2.539 205 c HA 0.193 4.763 4.570 0.000 0.000 0.268 205 c C 1.623 175.678 174.090 -0.058 0.000 1.395 205 c CA 0.359 56.639 56.329 -0.081 0.000 1.757 205 c CB -1.006 41.263 42.510 -0.403 0.000 1.851 205 c HN 1.005 nan 8.230 nan 0.000 0.545 206 D N -1.503 118.944 120.400 0.079 0.000 2.474 206 D HA 0.093 4.733 4.640 0.000 0.000 0.108 206 D C -2.380 173.913 176.300 -0.013 0.000 1.491 206 D CA 0.340 54.378 54.000 0.063 0.000 1.401 206 D CB -0.764 40.184 40.800 0.246 0.000 2.273 206 D HN 0.065 nan 8.370 nan 0.000 0.229 207 P HA 0.200 nan 4.420 nan 0.000 0.272 207 P C -0.646 176.421 177.300 -0.388 0.000 1.230 207 P CA -0.032 62.913 63.100 -0.258 0.000 0.788 207 P CB 0.568 32.026 31.700 -0.403 0.000 0.949 208 N N -0.125 118.322 118.700 -0.421 0.000 2.472 208 N HA 0.383 5.123 4.740 0.000 0.000 0.289 208 N C -1.425 173.687 175.510 -0.663 0.000 1.156 208 N CA -0.605 52.165 53.050 -0.466 0.000 0.940 208 N CB 0.527 38.727 38.487 -0.479 0.000 1.200 208 N HN 0.300 nan 8.380 nan 0.000 0.511 209 Y N -1.103 119.076 120.300 -0.202 0.000 2.409 209 Y HA 0.391 4.941 4.550 0.001 0.000 0.343 209 Y C -0.179 175.653 175.900 -0.113 0.000 0.973 209 Y CA -1.062 56.970 58.100 -0.114 0.000 1.064 209 Y CB 2.286 40.725 38.460 -0.034 0.000 1.207 209 Y HN 0.437 nan 8.280 nan 0.000 0.452 210 T N 4.688 119.283 114.554 0.068 0.000 2.739 210 T HA 0.208 4.558 4.350 0.000 0.000 0.298 210 T C -0.926 173.846 174.700 0.121 0.000 0.929 210 T CA -0.178 61.952 62.100 0.049 0.000 1.014 210 T CB -0.578 68.296 68.868 0.010 0.000 0.914 210 T HN 0.395 nan 8.240 nan 0.000 0.509 211 F N 4.037 123.956 119.950 -0.052 0.000 2.408 211 F HA 0.605 5.132 4.527 0.000 0.000 0.344 211 F C 0.376 176.090 175.800 -0.143 0.000 1.112 211 F CA -0.267 57.682 58.000 -0.085 0.000 1.096 211 F CB 0.857 39.787 39.000 -0.117 0.000 1.129 211 F HN 0.565 nan 8.300 nan 0.000 0.486 212 S N 5.691 120.942 115.700 -0.748 0.000 2.588 212 S HA 0.714 5.184 4.470 0.000 0.000 0.269 212 S C -1.425 172.780 174.600 -0.658 0.000 1.157 212 S CA -0.938 56.934 58.200 -0.548 0.000 0.824 212 S CB 1.434 64.473 63.200 -0.269 0.000 1.126 212 S HN 0.591 nan 8.310 nan 0.000 0.464 213 I N 1.823 122.161 120.570 -0.386 0.000 2.439 213 I HA 0.326 4.496 4.170 0.000 0.000 0.285 213 I C -1.084 174.993 176.117 -0.066 0.000 1.021 213 I CA -0.658 60.490 61.300 -0.254 0.000 1.091 213 I CB 1.752 39.607 38.000 -0.243 0.000 1.242 213 I HN 0.608 nan 8.210 nan 0.000 0.439 214 D N 5.045 125.456 120.400 0.018 0.000 2.533 214 D HA 0.162 4.803 4.640 0.000 0.000 0.236 214 D C 1.254 177.699 176.300 0.242 0.000 1.137 214 D CA 1.475 55.551 54.000 0.127 0.000 0.867 214 D CB 0.821 41.743 40.800 0.203 0.000 1.170 214 D HN 0.918 nan 8.370 nan 0.000 0.474 215 G N 1.686 110.555 108.800 0.116 0.000 2.189 215 G HA2 -0.272 3.688 3.960 0.000 0.000 0.267 215 G HA3 -0.272 3.688 3.960 0.000 0.000 0.267 215 G C 0.015 174.739 174.900 -0.293 0.000 0.975 215 G CA 0.547 45.626 45.100 -0.035 0.000 0.644 215 G HN 0.684 nan 8.290 nan 0.000 0.537 216 H N -0.455 118.549 119.070 -0.110 0.000 2.717 216 H HA 0.640 5.196 4.556 0.000 0.000 0.366 216 H C 0.204 175.494 175.328 -0.063 0.000 1.132 216 H CA -0.608 55.387 56.048 -0.088 0.000 1.180 216 H CB 1.204 30.909 29.762 -0.095 0.000 1.678 216 H HN 0.379 nan 8.280 nan 0.000 0.537 217 Q N 1.449 121.295 119.800 0.077 0.000 2.249 217 Q HA 0.582 4.923 4.340 0.000 0.000 0.226 217 Q C -0.612 175.426 176.000 0.064 0.000 0.983 217 Q CA -0.466 55.361 55.803 0.040 0.000 0.930 217 Q CB 1.388 30.148 28.738 0.038 0.000 1.193 217 Q HN 0.466 nan 8.270 nan 0.000 0.508 218 M N 0.738 120.346 119.600 0.013 0.000 2.326 218 M HA 0.334 4.814 4.480 0.000 0.000 0.292 218 M C -1.279 175.079 176.300 0.096 0.000 1.081 218 M CA -0.554 54.769 55.300 0.039 0.000 0.919 218 M CB 2.459 34.862 32.600 -0.327 0.000 1.634 218 M HN 0.456 nan 8.290 nan 0.000 0.451 219 T N 3.928 118.606 114.554 0.207 0.000 2.853 219 T HA 0.515 4.865 4.350 0.000 0.000 0.317 219 T C 0.098 174.915 174.700 0.195 0.000 1.059 219 T CA -0.428 61.769 62.100 0.163 0.000 0.954 219 T CB 0.085 69.042 68.868 0.148 0.000 0.994 219 T HN 0.468 nan 8.240 nan 0.000 0.479 220 I N 4.617 125.276 120.570 0.147 0.000 2.517 220 I HA 0.154 4.324 4.170 0.000 0.000 0.285 220 I C 1.364 177.564 176.117 0.139 0.000 1.106 220 I CA 0.140 61.536 61.300 0.161 0.000 1.402 220 I CB 0.611 38.673 38.000 0.105 0.000 1.399 220 I HN 0.715 nan 8.210 nan 0.000 0.535 221 I N 2.269 122.917 120.570 0.131 0.000 4.327 221 I HA 0.321 4.491 4.170 0.000 0.000 0.331 221 I C 0.331 176.491 176.117 0.071 0.000 1.348 221 I CA -0.050 61.310 61.300 0.100 0.000 1.152 221 I CB 0.429 38.491 38.000 0.103 0.000 1.151 221 I HN 0.566 nan 8.210 nan 0.000 0.410 222 Q N 2.280 122.121 119.800 0.068 0.000 2.284 222 Q HA 0.511 4.851 4.340 0.000 0.000 0.269 222 Q C -1.923 174.073 176.000 -0.005 0.000 1.026 222 Q CA -0.580 55.221 55.803 -0.002 0.000 0.831 222 Q CB 3.773 32.468 28.738 -0.073 0.000 1.322 222 Q HN 0.160 nan 8.270 nan 0.000 0.419 223 V N 3.144 123.006 119.914 -0.086 0.000 2.483 223 V HA 0.392 4.512 4.120 0.000 0.000 0.297 223 V C -1.066 174.831 176.094 -0.328 0.000 1.027 223 V CA -0.186 61.960 62.300 -0.256 0.000 0.855 223 V CB 1.553 33.315 31.823 -0.102 0.000 0.995 223 V HN 0.960 nan 8.190 nan 0.000 0.424 224 D N 4.557 124.673 120.400 -0.473 0.000 2.704 224 D HA -0.185 4.455 4.640 0.000 0.000 0.232 224 D C 0.988 177.028 176.300 -0.434 0.000 1.183 224 D CA 1.540 55.283 54.000 -0.427 0.000 0.647 224 D CB -1.268 39.334 40.800 -0.329 0.000 1.013 224 D HN 1.308 nan 8.370 nan 0.000 0.415 225 S N -2.662 112.725 115.700 -0.521 0.000 2.929 225 S HA -0.229 4.241 4.470 0.000 0.000 0.271 225 S C 0.509 174.933 174.600 -0.293 0.000 1.295 225 S CA 0.657 58.509 58.200 -0.581 0.000 1.277 225 S CB -0.657 61.947 63.200 -0.993 0.000 1.557 225 S HN 0.562 nan 8.310 nan 0.000 0.666 226 I N 2.877 123.328 120.570 -0.197 0.000 2.321 226 I HA 0.251 4.421 4.170 0.000 0.000 0.291 226 I C 0.730 176.815 176.117 -0.053 0.000 0.998 226 I CA -0.534 60.713 61.300 -0.089 0.000 1.227 226 I CB 0.681 38.665 38.000 -0.027 0.000 1.368 226 I HN 0.197 nan 8.210 nan 0.000 0.466 227 N N 4.590 123.273 118.700 -0.028 0.000 2.412 227 N HA 0.211 4.952 4.740 0.000 0.000 0.258 227 N C -0.691 174.838 175.510 0.031 0.000 1.236 227 N CA -0.002 53.051 53.050 0.005 0.000 0.882 227 N CB 1.007 39.503 38.487 0.016 0.000 1.066 227 N HN 0.275 nan 8.380 nan 0.000 0.465 228 V N 1.934 121.880 119.914 0.052 0.000 2.789 228 V HA 0.160 4.280 4.120 0.000 0.000 0.311 228 V C -0.076 176.072 176.094 0.091 0.000 1.073 228 V CA -0.903 61.444 62.300 0.079 0.000 0.921 228 V CB 2.035 33.910 31.823 0.087 0.000 1.009 228 V HN 0.619 nan 8.190 nan 0.000 0.426 229 Q N 3.654 123.520 119.800 0.110 0.000 2.263 229 Q HA 0.116 4.456 4.340 0.000 0.000 0.289 229 Q C -2.296 173.767 176.000 0.105 0.000 1.061 229 Q CA -1.206 54.663 55.803 0.110 0.000 0.927 229 Q CB 0.314 29.136 28.738 0.140 0.000 1.154 229 Q HN 0.420 nan 8.270 nan 0.000 0.378 230 P HA -0.130 nan 4.420 nan 0.000 0.255 230 P C -1.191 176.162 177.300 0.087 0.000 1.161 230 P CA 0.541 63.696 63.100 0.092 0.000 0.768 230 P CB 0.211 31.960 31.700 0.082 0.000 0.746 231 L N 5.816 127.089 121.223 0.083 0.000 2.404 231 L HA 0.345 4.685 4.340 0.000 0.000 0.272 231 L C -0.958 175.942 176.870 0.049 0.000 0.980 231 L CA -0.662 54.216 54.840 0.064 0.000 0.836 231 L CB 1.996 44.087 42.059 0.054 0.000 1.238 231 L HN -0.016 nan 8.230 nan 0.000 0.408 232 V N 6.105 126.044 119.914 0.042 0.000 2.427 232 V HA 0.486 4.607 4.120 0.000 0.000 0.268 232 V C 0.217 176.312 176.094 0.003 0.000 1.046 232 V CA -0.064 62.255 62.300 0.031 0.000 0.970 232 V CB 0.948 32.791 31.823 0.035 0.000 1.001 232 V HN 0.640 nan 8.190 nan 0.000 0.476 233 V N 4.228 124.129 119.914 -0.021 0.000 3.126 233 V HA 0.705 4.825 4.120 0.000 0.000 0.314 233 V C -0.022 176.032 176.094 -0.067 0.000 1.138 233 V CA -0.785 61.482 62.300 -0.055 0.000 1.034 233 V CB 2.080 33.844 31.823 -0.099 0.000 1.075 233 V HN 0.602 nan 8.190 nan 0.000 0.442 234 L N -1.706 119.473 121.223 -0.073 0.000 3.135 234 L HA 0.678 5.018 4.340 0.000 0.000 0.279 234 L C 0.071 176.881 176.870 -0.100 0.000 1.200 234 L CA -0.021 54.771 54.840 -0.081 0.000 1.016 234 L CB -0.356 41.672 42.059 -0.052 0.000 1.391 234 L HN 0.850 nan 8.230 nan 0.000 0.588 235 K N 1.431 121.768 120.400 -0.105 0.000 2.571 235 K HA 0.495 4.815 4.320 0.000 0.000 0.252 235 K C -2.140 174.395 176.600 -0.109 0.000 0.956 235 K CA -0.298 55.934 56.287 -0.092 0.000 0.822 235 K CB 2.109 34.570 32.500 -0.066 0.000 1.286 235 K HN 0.204 nan 8.250 nan 0.000 0.439 236 I N 3.450 123.968 120.570 -0.086 0.000 2.389 236 I HA 0.226 4.396 4.170 0.000 0.000 0.288 236 I C -0.076 175.988 176.117 -0.088 0.000 0.999 236 I CA -0.783 60.423 61.300 -0.157 0.000 1.129 236 I CB 2.067 39.903 38.000 -0.274 0.000 1.288 236 I HN 0.508 nan 8.210 nan 0.000 0.444 237 Q N 7.001 126.730 119.800 -0.119 0.000 2.349 237 Q HA 0.474 4.814 4.340 0.000 0.000 0.254 237 Q C -1.095 174.775 176.000 -0.217 0.000 0.980 237 Q CA -0.260 55.441 55.803 -0.170 0.000 0.924 237 Q CB 1.257 29.885 28.738 -0.184 0.000 1.209 237 Q HN 0.647 nan 8.270 nan 0.000 0.445 238 I N 4.706 125.162 120.570 -0.190 0.000 2.362 238 I HA 0.338 4.509 4.170 0.000 0.000 0.289 238 I C -1.317 174.679 176.117 -0.203 0.000 0.994 238 I CA -0.830 60.438 61.300 -0.052 0.000 1.158 238 I CB 0.610 38.652 38.000 0.069 0.000 1.315 238 I HN 0.655 nan 8.210 nan 0.000 0.451 239 Y N 5.466 125.786 120.300 0.034 0.000 2.374 239 Y HA 0.565 5.115 4.550 0.000 0.000 0.322 239 Y C 0.994 176.844 175.900 -0.082 0.000 1.275 239 Y CA -0.600 57.486 58.100 -0.023 0.000 1.307 239 Y CB 0.790 39.240 38.460 -0.017 0.000 1.282 239 Y HN 0.619 nan 8.280 nan 0.000 0.509 240 A N 1.354 124.210 122.820 0.060 0.000 2.598 240 A HA 0.304 4.624 4.320 0.000 0.000 0.239 240 A C 1.252 178.676 177.584 -0.266 0.000 1.032 240 A CA 0.755 52.751 52.037 -0.069 0.000 0.760 240 A CB -1.239 17.781 19.000 0.032 0.000 0.946 240 A HN 1.782 nan 8.150 nan 0.000 0.512 241 A N 1.185 123.715 122.820 -0.483 0.000 3.601 241 A HA -0.206 4.114 4.320 0.000 0.000 0.266 241 A C 0.677 177.920 177.584 -0.570 0.000 1.077 241 A CA 1.701 53.347 52.037 -0.653 0.000 1.228 241 A CB -2.383 15.914 19.000 -1.172 0.000 1.099 241 A HN 0.996 nan 8.150 nan 0.000 0.916 242 Q N -0.798 118.765 119.800 -0.394 0.000 2.417 242 Q HA 0.574 4.914 4.340 0.000 0.000 0.241 242 Q C 0.161 175.897 176.000 -0.440 0.000 1.008 242 Q CA 0.112 55.705 55.803 -0.351 0.000 0.901 242 Q CB 0.423 29.046 28.738 -0.192 0.000 1.259 242 Q HN 0.584 nan 8.270 nan 0.000 0.489 243 R N 0.592 120.771 120.500 -0.536 0.000 2.673 243 R HA 0.522 4.862 4.340 0.000 0.000 0.281 243 R C -1.643 174.250 176.300 -0.679 0.000 0.991 243 R CA -0.509 55.293 56.100 -0.496 0.000 0.896 243 R CB 1.491 31.524 30.300 -0.444 0.000 1.201 243 R HN 0.482 nan 8.270 nan 0.000 0.457 244 Y N -0.482 119.717 120.300 -0.168 0.000 2.470 244 Y HA 0.368 4.919 4.550 0.000 0.000 0.341 244 Y C -0.297 175.547 175.900 -0.093 0.000 1.021 244 Y CA -0.709 57.335 58.100 -0.093 0.000 1.025 244 Y CB 2.731 41.179 38.460 -0.019 0.000 1.266 244 Y HN 0.438 nan 8.280 nan 0.000 0.448 245 S N 4.180 119.912 115.700 0.053 0.000 2.457 245 S HA 0.629 5.099 4.470 0.000 0.000 0.289 245 S C -1.003 173.650 174.600 0.089 0.000 1.163 245 S CA -0.597 57.574 58.200 -0.048 0.000 1.078 245 S CB -0.194 62.935 63.200 -0.118 0.000 0.987 245 S HN 0.458 nan 8.310 nan 0.000 0.482 246 F N 1.529 121.497 119.950 0.030 0.000 2.546 246 F HA 0.769 5.296 4.527 0.000 0.000 0.320 246 F C -0.899 174.944 175.800 0.071 0.000 1.076 246 F CA -1.454 56.579 58.000 0.054 0.000 0.928 246 F CB 0.628 39.663 39.000 0.058 0.000 1.189 246 F HN 0.274 nan 8.300 nan 0.000 0.465 247 I N 3.799 124.524 120.570 0.259 0.000 2.315 247 I HA 0.350 4.521 4.170 0.000 0.000 0.291 247 I C -0.864 175.473 176.117 0.367 0.000 1.006 247 I CA -0.698 60.712 61.300 0.184 0.000 1.265 247 I CB 1.676 39.774 38.000 0.163 0.000 1.387 247 I HN 0.665 nan 8.210 nan 0.000 0.475 248 L N 7.550 129.009 121.223 0.393 0.000 2.287 248 L HA 0.472 4.812 4.340 0.000 0.000 0.287 248 L C -0.325 176.744 176.870 0.332 0.000 1.022 248 L CA -0.396 54.707 54.840 0.439 0.000 0.814 248 L CB 0.896 43.324 42.059 0.615 0.000 1.217 248 L HN 0.516 nan 8.230 nan 0.000 0.420 249 N N 4.260 123.127 118.700 0.278 0.000 2.422 249 N HA 0.284 5.024 4.740 0.000 0.000 0.264 249 N C -0.289 175.392 175.510 0.286 0.000 1.063 249 N CA -0.162 53.030 53.050 0.236 0.000 0.959 249 N CB 1.737 40.324 38.487 0.165 0.000 1.087 249 N HN 0.707 nan 8.380 nan 0.000 0.483 250 A N 3.924 126.909 122.820 0.275 0.000 3.026 250 A HA 0.056 4.376 4.320 0.000 0.000 0.272 250 A C 0.574 178.377 177.584 0.366 0.000 1.782 250 A CA -0.498 51.694 52.037 0.259 0.000 1.451 250 A CB -1.025 17.989 19.000 0.023 0.000 1.081 250 A HN 0.753 nan 8.150 nan 0.000 0.611 251 N N -0.152 118.736 118.700 0.313 0.000 2.234 251 N HA 0.057 4.797 4.740 0.000 0.000 0.227 251 N C -0.088 175.478 175.510 0.093 0.000 1.151 251 N CA -0.147 53.014 53.050 0.184 0.000 0.865 251 N CB 0.251 38.801 38.487 0.104 0.000 1.066 251 N HN 0.443 nan 8.380 nan 0.000 0.515 252 Q N 0.336 120.194 119.800 0.097 0.000 2.252 252 Q HA 0.618 4.958 4.340 0.000 0.000 0.256 252 Q C -0.211 175.664 176.000 -0.207 0.000 1.020 252 Q CA -0.855 54.867 55.803 -0.135 0.000 0.913 252 Q CB 1.271 29.759 28.738 -0.417 0.000 1.286 252 Q HN 0.272 nan 8.270 nan 0.000 0.480 253 A N 0.462 123.192 122.820 -0.151 0.000 2.520 253 A HA 0.148 4.468 4.320 0.000 0.000 0.235 253 A C 0.048 177.396 177.584 -0.394 0.000 1.065 253 A CA -0.310 51.627 52.037 -0.167 0.000 0.764 253 A CB 0.050 18.997 19.000 -0.087 0.000 1.002 253 A HN 0.410 nan 8.150 nan 0.000 0.502 254 V N 4.440 124.193 119.914 -0.269 0.000 2.425 254 V HA 0.157 4.277 4.120 0.000 0.000 0.276 254 V C 0.504 176.493 176.094 -0.175 0.000 1.017 254 V CA 0.607 62.781 62.300 -0.210 0.000 1.062 254 V CB -0.970 30.860 31.823 0.011 0.000 0.997 254 V HN 0.970 nan 8.190 nan 0.000 0.476 255 N N 4.153 122.746 118.700 -0.179 0.000 3.387 255 N HA 0.281 5.022 4.740 0.000 0.000 0.294 255 N C -1.490 173.905 175.510 -0.192 0.000 1.519 255 N CA -0.699 52.196 53.050 -0.258 0.000 0.875 255 N CB 1.669 39.839 38.487 -0.529 0.000 1.657 255 N HN 0.479 nan 8.380 nan 0.000 0.527 256 N N 0.564 119.028 118.700 -0.393 0.000 2.400 256 N HA 0.372 5.113 4.740 0.000 0.000 0.288 256 N C -1.278 173.882 175.510 -0.583 0.000 1.024 256 N CA 0.042 52.894 53.050 -0.331 0.000 0.894 256 N CB 1.185 39.462 38.487 -0.350 0.000 1.173 256 N HN 0.364 nan 8.380 nan 0.000 0.487 257 Y N -0.203 119.994 120.300 -0.172 0.000 2.462 257 Y HA 0.306 4.856 4.550 0.000 0.000 0.346 257 Y C -0.285 175.499 175.900 -0.193 0.000 0.976 257 Y CA -0.956 57.058 58.100 -0.143 0.000 1.044 257 Y CB 1.431 39.909 38.460 0.030 0.000 1.230 257 Y HN 0.421 nan 8.280 nan 0.000 0.455 258 W N 4.357 125.657 121.300 0.000 0.000 2.303 258 W HA 0.434 5.094 4.660 0.001 0.000 0.318 258 W C -0.533 175.870 176.519 -0.192 0.000 1.362 258 W CA -0.193 57.078 57.345 -0.124 0.000 1.234 258 W CB 0.451 29.788 29.460 -0.206 0.000 1.248 258 W HN 0.249 nan 8.180 nan 0.000 0.546 259 I N 5.101 125.731 120.570 0.100 0.000 2.331 259 I HA 0.339 4.509 4.170 0.000 0.000 0.292 259 I C 0.204 176.185 176.117 -0.226 0.000 0.998 259 I CA -0.701 60.500 61.300 -0.165 0.000 1.267 259 I CB 0.728 38.637 38.000 -0.152 0.000 1.386 259 I HN 0.319 nan 8.210 nan 0.000 0.476 260 R N 5.095 125.325 120.500 -0.450 0.000 2.637 260 R HA 0.827 5.167 4.340 0.000 0.000 0.291 260 R C -0.867 175.265 176.300 -0.280 0.000 0.963 260 R CA -0.878 54.995 56.100 -0.379 0.000 0.901 260 R CB 2.182 32.105 30.300 -0.628 0.000 1.160 260 R HN 0.698 nan 8.270 nan 0.000 0.457 261 A N 2.688 125.544 122.820 0.061 0.000 2.876 261 A HA 0.233 4.553 4.320 0.000 0.000 0.309 261 A C -1.207 176.555 177.584 0.297 0.000 1.168 261 A CA -0.713 51.413 52.037 0.147 0.000 0.762 261 A CB 0.541 19.568 19.000 0.044 0.000 1.262 261 A HN 0.578 nan 8.150 nan 0.000 0.435 262 N N 2.888 121.747 118.700 0.265 0.000 2.414 262 N HA 0.487 5.227 4.740 0.000 0.000 0.256 262 N C -2.874 172.649 175.510 0.022 0.000 1.029 262 N CA -1.635 51.461 53.050 0.076 0.000 0.948 262 N CB 1.252 39.727 38.487 -0.019 0.000 1.102 262 N HN 0.268 nan 8.380 nan 0.000 0.496 263 P HA 0.120 nan 4.420 nan 0.000 0.272 263 P C 0.499 177.649 177.300 -0.250 0.000 1.223 263 P CA -0.306 62.610 63.100 -0.306 0.000 0.784 263 P CB 0.605 32.158 31.700 -0.246 0.000 0.923 264 N N 1.729 120.260 118.700 -0.282 0.000 2.459 264 N HA -0.136 4.604 4.740 0.000 0.000 0.181 264 N C 0.099 175.520 175.510 -0.147 0.000 1.046 264 N CA 0.879 53.819 53.050 -0.183 0.000 0.904 264 N CB -0.062 38.330 38.487 -0.159 0.000 0.964 264 N HN 0.635 nan 8.380 nan 0.000 0.444 265 Q N -3.324 116.379 119.800 -0.162 0.000 2.534 265 Q HA 0.601 4.941 4.340 0.000 0.000 0.290 265 Q C -0.082 175.843 176.000 -0.125 0.000 0.991 265 Q CA -0.749 54.980 55.803 -0.123 0.000 0.783 265 Q CB 1.794 30.475 28.738 -0.095 0.000 1.470 265 Q HN 0.035 nan 8.270 nan 0.000 0.406 266 G N 1.360 110.099 108.800 -0.102 0.000 2.715 266 G HA2 -0.187 3.773 3.960 0.000 0.000 0.221 266 G HA3 -0.187 3.773 3.960 0.000 0.000 0.221 266 G C -1.186 173.652 174.900 -0.104 0.000 1.204 266 G CA -0.265 44.777 45.100 -0.097 0.000 1.063 266 G HN 0.632 nan 8.290 nan 0.000 0.586 267 N N 1.981 120.613 118.700 -0.113 0.000 2.558 267 N HA 0.464 5.204 4.740 0.000 0.000 0.233 267 N C 0.687 176.103 175.510 -0.158 0.000 1.038 267 N CA 0.516 53.495 53.050 -0.119 0.000 0.934 267 N CB 1.371 39.797 38.487 -0.102 0.000 1.175 267 N HN 1.079 nan 8.380 nan 0.000 0.512 268 V N -0.454 119.351 119.914 -0.182 0.000 3.336 268 V HA 0.891 5.011 4.120 0.000 0.000 0.304 268 V C 1.101 176.974 176.094 -0.368 0.000 1.073 268 V CA 0.020 62.163 62.300 -0.262 0.000 1.074 268 V CB 0.313 32.003 31.823 -0.221 0.000 1.161 268 V HN 0.763 nan 8.190 nan 0.000 0.460 269 G N 0.920 109.355 108.800 -0.609 0.000 2.698 269 G HA2 -0.191 3.770 3.960 0.000 0.000 0.233 269 G HA3 -0.191 3.770 3.960 0.000 0.000 0.233 269 G C -0.645 173.607 174.900 -1.080 0.000 1.352 269 G CA 0.458 45.055 45.100 -0.837 0.000 0.879 269 G HN 1.475 nan 8.290 nan 0.000 0.567 270 F N 0.307 120.156 119.950 -0.169 0.000 2.859 270 F HA 0.326 4.854 4.527 0.000 0.000 0.324 270 F C 1.381 177.034 175.800 -0.246 0.000 1.158 270 F CA 0.035 57.883 58.000 -0.252 0.000 1.147 270 F CB 0.522 39.309 39.000 -0.355 0.000 1.137 270 F HN 0.409 nan 8.300 nan 0.000 0.516 271 T N 1.732 116.244 114.554 -0.070 0.000 2.831 271 T HA -0.014 4.336 4.350 0.000 0.000 0.291 271 T C 0.639 175.304 174.700 -0.058 0.000 0.981 271 T CA 0.780 62.845 62.100 -0.059 0.000 1.174 271 T CB -0.340 68.494 68.868 -0.057 0.000 0.929 271 T HN 0.512 nan 8.240 nan 0.000 0.532 272 N N 1.548 120.219 118.700 -0.048 0.000 2.782 272 N HA -0.193 4.547 4.740 0.000 0.000 0.251 272 N C 0.833 176.318 175.510 -0.041 0.000 1.101 272 N CA 0.867 53.904 53.050 -0.022 0.000 0.764 272 N CB -1.320 37.166 38.487 -0.002 0.000 1.122 272 N HN 1.144 nan 8.380 nan 0.000 0.561 273 G N -0.268 108.439 108.800 -0.155 0.000 2.160 273 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 273 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 273 G C 0.301 175.134 174.900 -0.111 0.000 1.022 273 G CA 0.303 45.246 45.100 -0.263 0.000 0.741 273 G HN 0.879 nan 8.290 nan 0.000 0.508 274 I N -3.631 116.897 120.570 -0.070 0.000 2.779 274 I HA 0.466 4.637 4.170 0.000 0.000 0.285 274 I C 0.867 176.986 176.117 0.004 0.000 1.134 274 I CA 0.033 61.313 61.300 -0.033 0.000 1.398 274 I CB 0.426 38.395 38.000 -0.053 0.000 1.404 274 I HN 0.063 nan 8.210 nan 0.000 0.587 275 N N 1.974 120.686 118.700 0.020 0.000 2.725 275 N HA -0.185 4.555 4.740 0.000 0.000 0.249 275 N C -0.710 174.869 175.510 0.116 0.000 1.103 275 N CA 1.123 54.219 53.050 0.077 0.000 0.707 275 N CB -1.341 37.183 38.487 0.063 0.000 1.043 275 N HN 0.777 nan 8.380 nan 0.000 0.553 276 S N -1.087 114.635 115.700 0.035 0.000 2.599 276 S HA 0.946 5.417 4.470 0.000 0.000 0.287 276 S C -0.063 174.597 174.600 0.099 0.000 1.105 276 S CA -0.110 58.094 58.200 0.006 0.000 0.899 276 S CB 2.894 65.968 63.200 -0.210 0.000 1.100 276 S HN 0.532 nan 8.310 nan 0.000 0.482 277 A N 1.065 123.983 122.820 0.164 0.000 2.567 277 A HA 0.892 5.213 4.320 0.000 0.000 0.289 277 A C -1.816 175.868 177.584 0.166 0.000 1.177 277 A CA -0.723 51.399 52.037 0.141 0.000 0.694 277 A CB 0.822 19.845 19.000 0.038 0.000 1.292 277 A HN 0.696 nan 8.150 nan 0.000 0.425 278 I N 0.507 121.098 120.570 0.035 0.000 2.436 278 I HA 0.381 4.551 4.170 0.000 0.000 0.289 278 I C -1.095 174.980 176.117 -0.070 0.000 1.010 278 I CA -0.590 60.673 61.300 -0.061 0.000 1.098 278 I CB 1.771 39.692 38.000 -0.132 0.000 1.266 278 I HN 0.505 nan 8.210 nan 0.000 0.434 279 L N 7.278 128.467 121.223 -0.057 0.000 2.261 279 L HA 0.440 4.780 4.340 0.000 0.000 0.289 279 L C -0.112 176.799 176.870 0.069 0.000 1.059 279 L CA 0.073 54.887 54.840 -0.044 0.000 0.816 279 L CB 0.438 42.445 42.059 -0.086 0.000 1.191 279 L HN 0.562 nan 8.230 nan 0.000 0.431 280 R N 4.116 124.632 120.500 0.026 0.000 2.337 280 R HA 0.323 4.664 4.340 0.000 0.000 0.319 280 R C -1.324 175.047 176.300 0.118 0.000 0.954 280 R CA -0.639 55.511 56.100 0.083 0.000 0.840 280 R CB 0.581 30.884 30.300 0.005 0.000 1.164 280 R HN 0.491 nan 8.270 nan 0.000 0.472 281 Y N 1.727 122.063 120.300 0.059 0.000 2.511 281 Y HA 0.008 4.558 4.550 0.000 0.000 0.332 281 Y C 0.876 176.801 175.900 0.041 0.000 1.177 281 Y CA 0.691 58.833 58.100 0.070 0.000 1.422 281 Y CB 1.048 39.582 38.460 0.124 0.000 1.271 281 Y HN 0.523 nan 8.280 nan 0.000 0.550 282 S N 2.243 118.029 115.700 0.144 0.000 2.544 282 S HA 0.288 4.758 4.470 0.000 0.000 0.290 282 S C 1.122 175.788 174.600 0.111 0.000 1.276 282 S CA 0.950 59.209 58.200 0.099 0.000 1.075 282 S CB -0.162 63.083 63.200 0.075 0.000 0.849 282 S HN 1.091 nan 8.310 nan 0.000 0.494 283 G N 2.110 110.953 108.800 0.072 0.000 2.313 283 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 283 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 283 G C 0.255 175.177 174.900 0.036 0.000 1.023 283 G CA -0.105 45.027 45.100 0.053 0.000 0.626 283 G HN 1.155 nan 8.290 nan 0.000 0.503 284 A N 0.746 123.595 122.820 0.048 0.000 2.386 284 A HA 0.803 5.124 4.320 0.000 0.000 0.246 284 A C 1.000 178.577 177.584 -0.012 0.000 1.089 284 A CA 1.162 53.205 52.037 0.009 0.000 0.790 284 A CB 0.268 19.279 19.000 0.017 0.000 1.042 284 A HN 2.133 nan 8.150 nan 0.000 0.497 285 A N 0.209 123.005 122.820 -0.040 0.000 2.371 285 A HA 0.543 4.864 4.320 0.000 0.000 0.257 285 A C 0.777 178.329 177.584 -0.053 0.000 1.089 285 A CA 0.158 52.168 52.037 -0.044 0.000 0.794 285 A CB -0.034 18.934 19.000 -0.053 0.000 1.029 285 A HN 2.094 nan 8.150 nan 0.000 0.488 286 A N 2.689 125.484 122.820 -0.041 0.000 3.026 286 A HA 0.508 4.828 4.320 0.000 0.000 0.272 286 A C 0.756 178.307 177.584 -0.055 0.000 1.782 286 A CA 0.533 52.543 52.037 -0.044 0.000 1.451 286 A CB -1.412 17.572 19.000 -0.027 0.000 1.081 286 A HN 1.367 nan 8.150 nan 0.000 0.611 287 T N -1.802 112.701 114.554 -0.085 0.000 2.838 287 T HA 0.556 4.907 4.350 0.000 0.000 0.292 287 T C -0.389 174.211 174.700 -0.166 0.000 1.113 287 T CA -0.866 61.175 62.100 -0.097 0.000 1.008 287 T CB 0.805 69.618 68.868 -0.091 0.000 1.259 287 T HN 0.449 nan 8.240 nan 0.000 0.520 288 Q N 1.093 120.787 119.800 -0.177 0.000 2.340 288 Q HA 0.380 4.721 4.340 0.000 0.000 0.249 288 Q C -2.353 173.338 176.000 -0.514 0.000 0.957 288 Q CA -1.738 53.857 55.803 -0.345 0.000 0.882 288 Q CB 0.201 28.863 28.738 -0.128 0.000 1.235 288 Q HN 0.420 nan 8.270 nan 0.000 0.439 289 P HA -0.056 nan 4.420 nan 0.000 0.269 289 P C 0.072 177.040 177.300 -0.554 0.000 1.217 289 P CA 0.217 62.756 63.100 -0.935 0.000 0.783 289 P CB 0.532 31.304 31.700 -1.546 0.000 0.898 290 T N -4.247 110.118 114.554 -0.316 0.000 3.132 290 T HA 0.126 4.477 4.350 0.000 0.000 0.274 290 T C 0.432 175.118 174.700 -0.024 0.000 1.011 290 T CA -0.307 61.747 62.100 -0.076 0.000 0.899 290 T CB -1.036 67.787 68.868 -0.075 0.000 1.089 290 T HN 0.459 nan 8.240 nan 0.000 0.543 291 T N 1.753 116.260 114.554 -0.079 0.000 2.900 291 T HA 0.475 4.826 4.350 0.000 0.000 0.307 291 T C 0.293 175.089 174.700 0.159 0.000 1.065 291 T CA -0.367 61.743 62.100 0.016 0.000 1.105 291 T CB 0.962 69.833 68.868 0.005 0.000 0.979 291 T HN 0.497 nan 8.240 nan 0.000 0.544 292 S N 1.669 117.421 115.700 0.086 0.000 2.532 292 S HA 0.397 4.867 4.470 0.000 0.000 0.301 292 S C -0.387 174.227 174.600 0.023 0.000 1.083 292 S CA -1.085 57.150 58.200 0.059 0.000 1.025 292 S CB 1.496 64.716 63.200 0.034 0.000 1.056 292 S HN 0.931 nan 8.310 nan 0.000 0.494 293 Q N 1.302 121.088 119.800 -0.023 0.000 2.332 293 Q HA 0.342 4.682 4.340 0.000 0.000 0.263 293 Q C -0.129 175.859 176.000 -0.020 0.000 0.979 293 Q CA -0.083 55.688 55.803 -0.053 0.000 0.885 293 Q CB 0.534 29.214 28.738 -0.096 0.000 1.218 293 Q HN 0.881 nan 8.270 nan 0.000 0.405 294 T N 0.011 114.553 114.554 -0.021 0.000 2.940 294 T HA 0.441 4.791 4.350 0.000 0.000 0.288 294 T C -0.033 174.657 174.700 -0.016 0.000 1.033 294 T CA -0.898 61.195 62.100 -0.013 0.000 1.033 294 T CB 1.633 70.495 68.868 -0.010 0.000 1.079 294 T HN 0.443 nan 8.240 nan 0.000 0.496 295 S N 1.776 117.470 115.700 -0.010 0.000 2.549 295 S HA 0.221 4.691 4.470 0.000 0.000 0.286 295 S C 0.582 175.172 174.600 -0.017 0.000 1.314 295 S CA -0.446 57.748 58.200 -0.010 0.000 1.062 295 S CB 0.473 63.669 63.200 -0.007 0.000 0.865 295 S HN 0.857 nan 8.310 nan 0.000 0.498 296 S N 3.222 118.910 115.700 -0.019 0.000 2.429 296 S HA 0.120 4.591 4.470 0.000 0.000 0.292 296 S C 0.844 175.432 174.600 -0.020 0.000 1.183 296 S CA -0.727 57.458 58.200 -0.026 0.000 1.088 296 S CB 0.032 63.215 63.200 -0.030 0.000 1.018 296 S HN 0.526 nan 8.310 nan 0.000 0.511 297 V N 4.859 124.762 119.914 -0.019 0.000 3.052 297 V HA 0.117 4.238 4.120 0.000 0.000 0.254 297 V C 0.897 176.983 176.094 -0.013 0.000 1.100 297 V CA 1.174 63.466 62.300 -0.013 0.000 1.112 297 V CB -0.126 31.690 31.823 -0.011 0.000 0.738 297 V HN 0.867 nan 8.190 nan 0.000 0.469 298 Q N 0.829 120.617 119.800 -0.020 0.000 2.928 298 Q HA 0.270 4.610 4.340 0.000 0.000 0.353 298 Q C -2.628 173.353 176.000 -0.032 0.000 0.870 298 Q CA -1.614 54.177 55.803 -0.020 0.000 0.963 298 Q CB 1.451 30.179 28.738 -0.017 0.000 1.419 298 Q HN 0.349 nan 8.270 nan 0.000 0.396 299 P HA -0.048 nan 4.420 nan 0.000 0.272 299 P C -0.281 176.989 177.300 -0.050 0.000 1.223 299 P CA -0.558 62.516 63.100 -0.043 0.000 0.784 299 P CB 0.833 32.516 31.700 -0.029 0.000 0.923 300 L N 2.193 123.368 121.223 -0.079 0.000 2.513 300 L HA 0.181 4.521 4.340 0.000 0.000 0.272 300 L C -0.039 176.805 176.870 -0.043 0.000 1.187 300 L CA 0.854 55.638 54.840 -0.093 0.000 0.895 300 L CB -0.706 41.239 42.059 -0.191 0.000 1.147 300 L HN 0.254 nan 8.230 nan 0.000 0.483 301 D N 3.559 123.943 120.400 -0.026 0.000 2.408 301 D HA 0.122 4.762 4.640 0.000 0.000 0.243 301 D C 0.372 176.668 176.300 -0.006 0.000 1.075 301 D CA -0.303 53.695 54.000 -0.003 0.000 0.832 301 D CB 1.810 42.609 40.800 -0.001 0.000 1.162 301 D HN 0.805 nan 8.370 nan 0.000 0.515 302 Q N 1.783 121.595 119.800 0.019 0.000 2.234 302 Q HA -0.166 4.174 4.340 0.000 0.000 0.206 302 Q C 1.457 177.431 176.000 -0.043 0.000 0.980 302 Q CA 1.859 57.675 55.803 0.021 0.000 0.869 302 Q CB 0.196 28.967 28.738 0.054 0.000 0.912 302 Q HN 0.631 nan 8.270 nan 0.000 0.436 303 T N -2.049 112.478 114.554 -0.046 0.000 3.072 303 T HA -0.000 4.350 4.350 0.000 0.000 0.266 303 T C 1.108 175.728 174.700 -0.132 0.000 1.127 303 T CA 0.867 62.925 62.100 -0.069 0.000 1.107 303 T CB -0.074 68.779 68.868 -0.024 0.000 0.910 303 T HN 0.216 nan 8.240 nan 0.000 0.513 304 N N 0.872 119.499 118.700 -0.121 0.000 2.412 304 N HA 0.231 4.971 4.740 0.000 0.000 0.184 304 N C 0.103 175.427 175.510 -0.311 0.000 1.101 304 N CA 0.093 53.073 53.050 -0.118 0.000 0.881 304 N CB -0.038 38.448 38.487 -0.002 0.000 0.969 304 N HN 0.478 nan 8.380 nan 0.000 0.459 305 L N 1.741 122.761 121.223 -0.337 0.000 2.331 305 L HA 0.196 4.536 4.340 0.000 0.000 0.278 305 L C 0.012 176.571 176.870 -0.519 0.000 1.106 305 L CA 0.092 54.781 54.840 -0.252 0.000 0.824 305 L CB 0.471 42.502 42.059 -0.047 0.000 1.142 305 L HN 0.078 nan 8.230 nan 0.000 0.443 306 H N 2.075 121.199 119.070 0.091 0.000 2.806 306 H HA 0.363 4.919 4.556 0.000 0.000 0.367 306 H C -2.500 172.886 175.328 0.097 0.000 1.136 306 H CA -2.165 53.942 56.048 0.098 0.000 1.178 306 H CB 2.090 31.900 29.762 0.080 0.000 1.718 306 H HN 0.290 nan 8.280 nan 0.000 0.540 307 P HA -0.059 nan 4.420 nan 0.000 0.269 307 P C 1.094 178.458 177.300 0.106 0.000 1.209 307 P CA -0.378 62.803 63.100 0.135 0.000 0.776 307 P CB 1.039 32.803 31.700 0.107 0.000 0.876 308 L N 2.728 123.993 121.223 0.070 0.000 2.017 308 L HA -0.041 4.300 4.340 0.000 0.000 0.208 308 L C 0.904 177.801 176.870 0.044 0.000 1.073 308 L CA 2.195 57.071 54.840 0.060 0.000 0.745 308 L CB -1.111 40.977 42.059 0.049 0.000 0.894 308 L HN 0.463 nan 8.230 nan 0.000 0.432 309 T N -0.835 113.735 114.554 0.025 0.000 2.829 309 T HA 0.681 5.032 4.350 0.000 0.000 0.282 309 T C 0.148 174.854 174.700 0.011 0.000 0.990 309 T CA -0.454 61.655 62.100 0.015 0.000 1.028 309 T CB 1.044 69.913 68.868 0.003 0.000 0.951 309 T HN 0.504 nan 8.240 nan 0.000 0.460 310 A N 3.772 126.605 122.820 0.021 0.000 2.567 310 A HA 0.473 4.793 4.320 0.000 0.000 0.240 310 A C 0.556 178.145 177.584 0.008 0.000 1.053 310 A CA 0.027 52.083 52.037 0.032 0.000 0.755 310 A CB -0.502 18.518 19.000 0.035 0.000 0.978 310 A HN 0.950 nan 8.150 nan 0.000 0.507 311 T N 2.347 116.913 114.554 0.020 0.000 2.965 311 T HA 0.545 4.895 4.350 0.000 0.000 0.306 311 T C 0.089 174.851 174.700 0.104 0.000 0.991 311 T CA 0.306 62.370 62.100 -0.061 0.000 1.001 311 T CB 1.268 69.919 68.868 -0.362 0.000 0.984 311 T HN 1.209 nan 8.240 nan 0.000 0.446 312 A N 3.065 125.951 122.820 0.109 0.000 2.511 312 A HA 0.503 4.823 4.320 0.000 0.000 0.242 312 A C 0.500 178.281 177.584 0.329 0.000 1.069 312 A CA -0.306 51.841 52.037 0.183 0.000 0.763 312 A CB 0.090 19.159 19.000 0.115 0.000 1.001 312 A HN 0.721 nan 8.150 nan 0.000 0.498 313 V N 5.575 125.671 119.914 0.303 0.000 2.470 313 V HA 0.166 4.287 4.120 0.000 0.000 0.276 313 V C -1.819 174.390 176.094 0.191 0.000 1.040 313 V CA -1.033 61.436 62.300 0.282 0.000 1.008 313 V CB 0.429 32.388 31.823 0.227 0.000 0.990 313 V HN 0.814 nan 8.190 nan 0.000 0.477 314 P HA 0.177 nan 4.420 nan 0.000 0.264 314 P C 0.723 178.039 177.300 0.027 0.000 1.173 314 P CA 1.740 64.888 63.100 0.080 0.000 0.761 314 P CB 0.130 31.855 31.700 0.042 0.000 0.794 315 G N 2.046 110.840 108.800 -0.011 0.000 2.553 315 G HA2 -0.053 3.908 3.960 0.000 0.000 0.242 315 G HA3 -0.053 3.908 3.960 0.000 0.000 0.242 315 G C -0.529 174.339 174.900 -0.053 0.000 1.277 315 G CA -0.002 45.069 45.100 -0.050 0.000 0.910 315 G HN 0.960 nan 8.290 nan 0.000 0.576 316 S N 0.182 115.813 115.700 -0.116 0.000 2.568 316 S HA 0.773 5.243 4.470 0.000 0.000 0.293 316 S C -2.642 171.761 174.600 -0.328 0.000 1.089 316 S CA -0.666 57.444 58.200 -0.150 0.000 0.945 316 S CB 3.032 66.156 63.200 -0.127 0.000 1.077 316 S HN 0.865 nan 8.310 nan 0.000 0.485 317 P HA 0.299 nan 4.420 nan 0.000 0.232 317 P C -0.913 175.958 177.300 -0.715 0.000 1.738 317 P CA 0.010 62.778 63.100 -0.554 0.000 0.948 317 P CB -0.412 31.254 31.700 -0.056 0.000 1.943 318 V N 0.500 119.875 119.914 -0.898 0.000 2.932 318 V HA 0.493 4.613 4.120 0.000 0.000 0.307 318 V C 0.124 175.915 176.094 -0.505 0.000 1.147 318 V CA -1.381 60.605 62.300 -0.523 0.000 0.951 318 V CB 2.203 33.864 31.823 -0.270 0.000 1.031 318 V HN 0.311 nan 8.190 nan 0.000 0.426 319 A N 2.714 125.361 122.820 -0.288 0.000 2.587 319 A HA 0.459 4.779 4.320 0.000 0.000 0.235 319 A C 1.599 179.079 177.584 -0.173 0.000 1.044 319 A CA 1.099 53.017 52.037 -0.198 0.000 0.754 319 A CB -0.502 18.365 19.000 -0.222 0.000 0.968 319 A HN 2.511 nan 8.150 nan 0.000 0.509 320 G N 1.564 110.285 108.800 -0.132 0.000 2.175 320 G HA2 -0.103 3.857 3.960 0.000 0.000 0.265 320 G HA3 -0.103 3.857 3.960 0.000 0.000 0.265 320 G C 0.970 175.790 174.900 -0.133 0.000 0.979 320 G CA 0.759 45.788 45.100 -0.118 0.000 0.663 320 G HN 2.125 nan 8.290 nan 0.000 0.533 321 G N 0.014 108.708 108.800 -0.176 0.000 3.003 321 G HA2 0.599 4.559 3.960 0.000 0.000 0.266 321 G HA3 0.599 4.559 3.960 0.000 0.000 0.266 321 G C 0.335 175.149 174.900 -0.144 0.000 0.755 321 G CA 0.834 45.829 45.100 -0.175 0.000 2.061 321 G HN 1.731 nan 8.290 nan 0.000 0.599 322 V N -2.460 117.379 119.914 -0.125 0.000 3.232 322 V HA 0.462 4.582 4.120 0.000 0.000 0.303 322 V C 0.600 176.623 176.094 -0.118 0.000 1.311 322 V CA -1.235 60.990 62.300 -0.126 0.000 1.061 322 V CB 1.516 33.250 31.823 -0.149 0.000 1.085 322 V HN 0.099 nan 8.190 nan 0.000 0.447 323 N N 0.203 118.828 118.700 -0.125 0.000 2.188 323 N HA 0.072 4.813 4.740 0.000 0.000 0.184 323 N C 0.023 175.466 175.510 -0.112 0.000 1.018 323 N CA 1.515 54.500 53.050 -0.108 0.000 0.858 323 N CB 0.103 38.527 38.487 -0.105 0.000 0.989 323 N HN 0.627 nan 8.380 nan 0.000 0.426 324 L N 0.026 121.160 121.223 -0.149 0.000 2.482 324 L HA 0.585 4.925 4.340 0.000 0.000 0.269 324 L C -1.513 175.254 176.870 -0.170 0.000 0.967 324 L CA -0.845 53.909 54.840 -0.142 0.000 0.851 324 L CB 1.581 43.551 42.059 -0.148 0.000 1.242 324 L HN -0.054 nan 8.230 nan 0.000 0.404 325 A N 6.351 129.093 122.820 -0.131 0.000 2.318 325 A HA 0.882 5.203 4.320 0.000 0.000 0.324 325 A C -0.902 176.608 177.584 -0.123 0.000 1.170 325 A CA -0.393 51.562 52.037 -0.137 0.000 0.810 325 A CB 0.618 19.550 19.000 -0.113 0.000 1.198 325 A HN 0.655 nan 8.150 nan 0.000 0.484 326 I N 2.580 123.055 120.570 -0.158 0.000 2.466 326 I HA 0.287 4.458 4.170 0.000 0.000 0.289 326 I C -0.172 175.814 176.117 -0.218 0.000 1.026 326 I CA -0.548 60.659 61.300 -0.155 0.000 1.078 326 I CB 2.031 39.923 38.000 -0.180 0.000 1.249 326 I HN 0.718 nan 8.210 nan 0.000 0.429 327 N N 5.362 123.955 118.700 -0.179 0.000 2.479 327 N HA 0.215 4.956 4.740 0.000 0.000 0.285 327 N C -1.067 174.295 175.510 -0.247 0.000 1.075 327 N CA -0.552 52.360 53.050 -0.231 0.000 0.967 327 N CB 1.208 39.603 38.487 -0.152 0.000 1.137 327 N HN 0.487 nan 8.380 nan 0.000 0.472 328 Q N 1.901 121.469 119.800 -0.387 0.000 2.431 328 Q HA 0.313 4.653 4.340 0.000 0.000 0.249 328 Q C -0.763 175.010 176.000 -0.379 0.000 1.025 328 Q CA -0.529 55.080 55.803 -0.323 0.000 0.835 328 Q CB 1.414 29.924 28.738 -0.380 0.000 1.207 328 Q HN 0.534 nan 8.270 nan 0.000 0.490 329 A N 4.597 127.347 122.820 -0.116 0.000 2.350 329 A HA 0.506 4.826 4.320 0.000 0.000 0.293 329 A C -0.396 177.302 177.584 0.190 0.000 1.231 329 A CA -0.341 51.665 52.037 -0.051 0.000 0.883 329 A CB -0.218 18.804 19.000 0.036 0.000 1.133 329 A HN 0.623 nan 8.150 nan 0.000 0.533 330 F N 2.558 122.642 119.950 0.222 0.000 2.389 330 F HA 0.346 4.874 4.527 0.001 0.000 0.337 330 F C 0.967 176.921 175.800 0.258 0.000 1.112 330 F CA -0.285 57.922 58.000 0.346 0.000 1.192 330 F CB 1.000 40.230 39.000 0.384 0.000 1.185 330 F HN 0.586 nan 8.300 nan 0.000 0.552 331 N N 1.452 120.451 118.700 0.499 0.000 2.823 331 N HA 0.427 5.167 4.740 0.000 0.000 0.251 331 N C -2.188 173.520 175.510 0.331 0.000 1.392 331 N CA -0.493 52.752 53.050 0.324 0.000 0.864 331 N CB 2.487 41.096 38.487 0.203 0.000 1.481 331 N HN 0.478 nan 8.380 nan 0.000 0.508 332 F N 1.943 121.903 119.950 0.017 0.000 2.615 332 F HA 0.362 4.889 4.527 0.000 0.000 0.312 332 F C -0.550 175.220 175.800 -0.050 0.000 1.119 332 F CA -0.825 57.102 58.000 -0.123 0.000 0.979 332 F CB 1.177 39.955 39.000 -0.371 0.000 1.266 332 F HN 0.485 nan 8.300 nan 0.000 0.444 333 N N 2.990 121.328 118.700 -0.605 0.000 2.416 333 N HA 0.380 5.121 4.740 0.000 0.000 0.267 333 N C 0.740 175.903 175.510 -0.578 0.000 1.294 333 N CA 0.211 53.007 53.050 -0.423 0.000 0.891 333 N CB 0.825 39.200 38.487 -0.187 0.000 1.238 333 N HN 1.091 nan 8.380 nan 0.000 0.508 334 G N 0.248 108.407 108.800 -1.068 0.000 2.420 334 G HA2 -0.360 3.600 3.960 0.000 0.000 0.221 334 G HA3 -0.360 3.600 3.960 0.000 0.000 0.221 334 G C 0.848 175.396 174.900 -0.587 0.000 1.117 334 G CA 0.856 45.594 45.100 -0.603 0.000 0.657 334 G HN 0.843 nan 8.290 nan 0.000 0.512 335 T N -2.734 111.447 114.554 -0.621 0.000 3.009 335 T HA 0.381 4.731 4.350 0.000 0.000 0.267 335 T C 0.307 174.880 174.700 -0.212 0.000 0.942 335 T CA 0.725 62.670 62.100 -0.258 0.000 0.883 335 T CB 0.475 69.275 68.868 -0.114 0.000 1.192 335 T HN 0.439 nan 8.240 nan 0.000 0.524 336 N N 0.965 119.415 118.700 -0.417 0.000 2.225 336 N HA 0.368 5.108 4.740 0.000 0.000 0.298 336 N C -1.775 173.604 175.510 -0.218 0.000 1.076 336 N CA -0.464 52.451 53.050 -0.224 0.000 0.792 336 N CB 1.950 40.289 38.487 -0.246 0.000 1.498 336 N HN 0.295 nan 8.380 nan 0.000 0.474 337 H N 0.421 119.446 119.070 -0.075 0.000 2.487 337 H HA 0.429 4.985 4.556 0.000 0.000 0.333 337 H C -0.770 174.440 175.328 -0.197 0.000 1.114 337 H CA 0.262 56.251 56.048 -0.098 0.000 1.310 337 H CB 0.725 30.218 29.762 -0.448 0.000 1.462 337 H HN 0.331 nan 8.280 nan 0.000 0.516 338 F N 1.669 121.754 119.950 0.226 0.000 2.529 338 F HA 0.388 4.916 4.527 0.001 0.000 0.320 338 F C -0.706 175.389 175.800 0.491 0.000 1.118 338 F CA -0.897 57.289 58.000 0.311 0.000 0.915 338 F CB 1.465 40.580 39.000 0.192 0.000 1.161 338 F HN 0.187 nan 8.300 nan 0.000 0.445 339 V N 2.740 123.045 119.914 0.653 0.000 2.384 339 V HA 0.282 4.402 4.120 0.000 0.000 0.287 339 V C -0.584 175.785 176.094 0.458 0.000 1.020 339 V CA -0.985 61.677 62.300 0.604 0.000 0.850 339 V CB 1.276 33.419 31.823 0.534 0.000 0.987 339 V HN 0.798 nan 8.190 nan 0.000 0.436 340 D N 4.386 125.005 120.400 0.366 0.000 2.708 340 D HA -0.194 4.446 4.640 0.000 0.000 0.236 340 D C 1.334 177.792 176.300 0.264 0.000 1.146 340 D CA 1.765 55.931 54.000 0.277 0.000 0.662 340 D CB -1.089 39.894 40.800 0.305 0.000 1.059 340 D HN 1.407 nan 8.370 nan 0.000 0.428 341 G N -1.790 107.182 108.800 0.287 0.000 2.184 341 G HA2 -0.060 3.901 3.960 0.000 0.000 0.264 341 G HA3 -0.060 3.901 3.960 0.000 0.000 0.264 341 G C 0.337 175.483 174.900 0.410 0.000 0.975 341 G CA 0.605 45.851 45.100 0.243 0.000 0.642 341 G HN 1.302 nan 8.290 nan 0.000 0.536 342 A N -0.582 122.524 122.820 0.476 0.000 2.355 342 A HA 0.871 5.191 4.320 0.000 0.000 0.317 342 A C 0.005 177.776 177.584 0.313 0.000 1.094 342 A CA 0.548 52.829 52.037 0.407 0.000 0.764 342 A CB 1.832 20.997 19.000 0.274 0.000 1.230 342 A HN 1.346 nan 8.150 nan 0.000 0.448 343 S N 1.357 117.079 115.700 0.036 0.000 2.451 343 S HA 0.573 5.043 4.470 0.000 0.000 0.301 343 S C -0.749 173.869 174.600 0.029 0.000 1.116 343 S CA -0.423 57.644 58.200 -0.220 0.000 1.093 343 S CB 0.166 62.871 63.200 -0.825 0.000 1.017 343 S HN 0.660 nan 8.310 nan 0.000 0.482 344 F N 6.067 126.034 119.950 0.030 0.000 2.502 344 F HA 0.436 4.963 4.527 0.000 0.000 0.371 344 F C -0.461 175.378 175.800 0.064 0.000 1.083 344 F CA 0.039 58.097 58.000 0.096 0.000 1.174 344 F CB 0.414 39.522 39.000 0.181 0.000 1.096 344 F HN 0.270 nan 8.300 nan 0.000 0.545 345 V N 8.790 128.352 119.914 -0.587 0.000 2.350 345 V HA 0.309 4.429 4.120 0.000 0.000 0.285 345 V C -2.007 173.632 176.094 -0.759 0.000 1.014 345 V CA -1.839 60.187 62.300 -0.457 0.000 0.831 345 V CB 1.301 32.974 31.823 -0.250 0.000 1.000 345 V HN 0.619 nan 8.190 nan 0.000 0.433 346 P HA 0.201 nan 4.420 nan 0.000 0.264 346 P C -2.538 174.563 177.300 -0.333 0.000 1.193 346 P CA -0.730 62.194 63.100 -0.294 0.000 0.763 346 P CB 0.183 31.936 31.700 0.089 0.000 0.810 347 P HA 0.176 nan 4.420 nan 0.000 0.278 347 P C 0.662 177.836 177.300 -0.210 0.000 1.266 347 P CA -0.256 62.731 63.100 -0.189 0.000 0.807 347 P CB 0.647 32.292 31.700 -0.092 0.000 1.094 348 T N -0.901 113.560 114.554 -0.156 0.000 2.857 348 T HA 0.022 4.373 4.350 0.000 0.000 0.266 348 T C 0.906 175.621 174.700 0.024 0.000 1.048 348 T CA 0.846 62.881 62.100 -0.109 0.000 1.139 348 T CB -0.241 68.586 68.868 -0.069 0.000 0.874 348 T HN 0.182 nan 8.240 nan 0.000 0.455 349 V N 4.021 123.948 119.914 0.023 0.000 2.383 349 V HA 0.286 4.406 4.120 0.000 0.000 0.275 349 V C -2.420 173.723 176.094 0.082 0.000 1.036 349 V CA -2.522 59.808 62.300 0.049 0.000 0.889 349 V CB 0.986 32.826 31.823 0.028 0.000 0.985 349 V HN 0.115 nan 8.190 nan 0.000 0.459 350 P HA 0.029 nan 4.420 nan 0.000 0.264 350 P C 1.189 178.550 177.300 0.102 0.000 1.183 350 P CA 0.187 63.359 63.100 0.119 0.000 0.763 350 P CB 0.633 32.392 31.700 0.098 0.000 0.807 351 V N 4.149 124.106 119.914 0.071 0.000 2.317 351 V HA -0.277 3.843 4.120 0.000 0.000 0.251 351 V C 2.273 178.397 176.094 0.051 0.000 1.065 351 V CA 1.752 64.080 62.300 0.047 0.000 1.049 351 V CB -1.125 30.707 31.823 0.016 0.000 0.651 351 V HN 0.624 nan 8.190 nan 0.000 0.450 352 L N -0.187 121.075 121.223 0.066 0.000 1.990 352 L HA -0.241 4.099 4.340 0.000 0.000 0.213 352 L C 2.654 179.617 176.870 0.154 0.000 1.072 352 L CA 2.443 57.329 54.840 0.076 0.000 0.755 352 L CB -0.485 41.639 42.059 0.108 0.000 0.889 352 L HN 0.464 nan 8.230 nan 0.000 0.432 353 S N -0.931 114.937 115.700 0.280 0.000 2.399 353 S HA -0.237 4.234 4.470 0.000 0.000 0.231 353 S C 1.788 176.468 174.600 0.133 0.000 1.022 353 S CA 1.376 59.737 58.200 0.268 0.000 0.983 353 S CB -0.044 63.285 63.200 0.215 0.000 0.803 353 S HN 0.507 nan 8.310 nan 0.000 0.480 354 Q N 0.296 120.153 119.800 0.095 0.000 2.050 354 Q HA -0.082 4.259 4.340 0.000 0.000 0.202 354 Q C 2.168 178.200 176.000 0.053 0.000 0.980 354 Q CA 1.590 57.430 55.803 0.062 0.000 0.840 354 Q CB -0.266 28.501 28.738 0.049 0.000 0.898 354 Q HN 0.534 nan 8.270 nan 0.000 0.424 355 I N 0.696 121.296 120.570 0.050 0.000 2.179 355 I HA -0.202 3.968 4.170 0.000 0.000 0.242 355 I C 2.619 178.759 176.117 0.038 0.000 1.088 355 I CA 1.218 62.540 61.300 0.037 0.000 1.357 355 I CB -1.428 36.584 38.000 0.021 0.000 1.051 355 I HN 0.197 nan 8.210 nan 0.000 0.409 356 V N 0.491 120.434 119.914 0.048 0.000 2.515 356 V HA -0.153 3.967 4.120 0.000 0.000 0.250 356 V C 2.443 178.566 176.094 0.049 0.000 1.058 356 V CA 2.121 64.448 62.300 0.045 0.000 1.064 356 V CB -0.889 30.970 31.823 0.059 0.000 0.675 356 V HN 0.524 nan 8.190 nan 0.000 0.461 357 S N -0.018 115.716 115.700 0.057 0.000 2.603 357 S HA 0.426 4.896 4.470 0.000 0.000 0.220 357 S C 1.495 176.116 174.600 0.035 0.000 0.967 357 S CA 0.622 58.850 58.200 0.047 0.000 0.920 357 S CB 0.102 63.331 63.200 0.049 0.000 0.773 357 S HN 2.028 nan 8.310 nan 0.000 0.529 358 G N 0.374 109.195 108.800 0.035 0.000 2.189 358 G HA2 0.167 4.127 3.960 0.000 0.000 0.113 358 G HA3 0.167 4.127 3.960 0.000 0.000 0.113 358 G C 0.096 175.012 174.900 0.027 0.000 1.038 358 G CA -0.381 44.736 45.100 0.029 0.000 0.704 358 G HN 1.031 nan 8.290 nan 0.000 0.490 359 A N -0.213 122.625 122.820 0.030 0.000 2.498 359 A HA 0.586 4.906 4.320 0.000 0.000 0.239 359 A C 1.250 178.853 177.584 0.031 0.000 1.068 359 A CA 0.876 52.931 52.037 0.029 0.000 0.766 359 A CB 0.393 19.412 19.000 0.032 0.000 1.003 359 A HN 0.353 nan 8.150 nan 0.000 0.497 360 Q N 0.118 119.936 119.800 0.029 0.000 2.391 360 Q HA 0.133 4.474 4.340 0.000 0.000 0.243 360 Q C 0.584 176.605 176.000 0.035 0.000 0.874 360 Q CA 1.098 56.919 55.803 0.030 0.000 0.950 360 Q CB 0.463 29.216 28.738 0.025 0.000 1.103 360 Q HN 0.970 nan 8.270 nan 0.000 0.544 361 S N -1.723 113.997 115.700 0.034 0.000 2.776 361 S HA 0.663 5.133 4.470 0.000 0.000 0.292 361 S C 0.689 175.312 174.600 0.038 0.000 1.187 361 S CA -0.183 58.040 58.200 0.038 0.000 0.834 361 S CB 0.988 64.206 63.200 0.030 0.000 1.199 361 S HN 0.013 nan 8.310 nan 0.000 0.514 362 A N 0.461 123.304 122.820 0.037 0.000 1.972 362 A HA 0.262 4.583 4.320 0.000 0.000 0.219 362 A C 2.213 179.803 177.584 0.011 0.000 1.169 362 A CA 1.913 53.966 52.037 0.027 0.000 0.635 362 A CB -1.581 17.420 19.000 0.001 0.000 0.810 362 A HN 1.472 nan 8.150 nan 0.000 0.446 363 A N -0.200 122.625 122.820 0.008 0.000 2.067 363 A HA -0.087 4.234 4.320 0.000 0.000 0.219 363 A C 1.416 179.005 177.584 0.008 0.000 1.158 363 A CA 1.501 53.540 52.037 0.004 0.000 0.661 363 A CB -0.317 18.685 19.000 0.004 0.000 0.801 363 A HN 0.438 nan 8.150 nan 0.000 0.452 364 D N -0.574 119.835 120.400 0.015 0.000 2.349 364 D HA 0.143 4.784 4.640 0.000 0.000 0.224 364 D C 0.068 176.378 176.300 0.017 0.000 1.029 364 D CA 0.446 54.456 54.000 0.016 0.000 0.879 364 D CB 0.118 40.930 40.800 0.020 0.000 0.906 364 D HN 0.355 nan 8.370 nan 0.000 0.528 365 L N 1.159 122.393 121.223 0.019 0.000 2.313 365 L HA 0.353 4.694 4.340 0.000 0.000 0.283 365 L C 0.042 176.920 176.870 0.014 0.000 1.013 365 L CA -0.543 54.312 54.840 0.025 0.000 0.816 365 L CB 2.360 44.445 42.059 0.043 0.000 1.236 365 L HN -0.263 nan 8.230 nan 0.000 0.419 366 L N 3.150 124.376 121.223 0.005 0.000 2.416 366 L HA 0.576 4.916 4.340 0.000 0.000 0.262 366 L C 0.725 177.571 176.870 -0.041 0.000 1.093 366 L CA -0.472 54.356 54.840 -0.021 0.000 0.801 366 L CB 1.488 43.528 42.059 -0.032 0.000 1.191 366 L HN 0.890 nan 8.230 nan 0.000 0.459 367 A N 1.434 124.197 122.820 -0.096 0.000 2.546 367 A HA -0.129 4.191 4.320 0.000 0.000 0.295 367 A C 0.420 177.988 177.584 -0.027 0.000 1.455 367 A CA 0.507 52.468 52.037 -0.128 0.000 0.730 367 A CB -2.180 16.696 19.000 -0.206 0.000 1.111 367 A HN 0.749 nan 8.150 nan 0.000 0.411 368 S N -0.042 115.643 115.700 -0.025 0.000 2.565 368 S HA 0.654 5.124 4.470 0.000 0.000 0.276 368 S C 1.685 176.291 174.600 0.009 0.000 1.326 368 S CA 0.550 58.747 58.200 -0.006 0.000 1.045 368 S CB 1.528 64.722 63.200 -0.010 0.000 0.918 368 S HN 2.499 nan 8.310 nan 0.000 0.505 369 G N 1.489 110.282 108.800 -0.012 0.000 2.179 369 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 369 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 369 G C 0.263 175.173 174.900 0.018 0.000 0.977 369 G CA 0.441 45.535 45.100 -0.010 0.000 0.641 369 G HN 0.776 nan 8.290 nan 0.000 0.533 370 L N -0.443 120.818 121.223 0.062 0.000 2.840 370 L HA 0.371 4.711 4.340 0.000 0.000 0.249 370 L C 0.758 177.789 176.870 0.268 0.000 1.119 370 L CA 0.090 55.074 54.840 0.240 0.000 0.930 370 L CB 1.025 43.303 42.059 0.366 0.000 1.295 370 L HN 0.086 nan 8.230 nan 0.000 0.534 371 V N -0.140 119.846 119.914 0.121 0.000 2.439 371 V HA 0.279 4.399 4.120 0.000 0.000 0.282 371 V C -0.968 175.161 176.094 0.059 0.000 1.039 371 V CA -0.515 61.894 62.300 0.181 0.000 0.913 371 V CB 0.879 32.788 31.823 0.144 0.000 0.983 371 V HN -0.020 nan 8.190 nan 0.000 0.460 372 Y N 2.100 122.567 120.300 0.278 0.000 2.341 372 Y HA 0.495 5.045 4.550 0.000 0.000 0.338 372 Y C 0.692 176.753 175.900 0.268 0.000 0.965 372 Y CA -0.674 57.599 58.100 0.290 0.000 1.108 372 Y CB 2.037 40.753 38.460 0.427 0.000 1.180 372 Y HN 0.706 nan 8.280 nan 0.000 0.458 373 S N 4.095 119.961 115.700 0.277 0.000 2.562 373 S HA 0.756 5.226 4.470 0.000 0.000 0.275 373 S C -0.799 173.896 174.600 0.158 0.000 1.281 373 S CA -0.717 57.604 58.200 0.201 0.000 1.045 373 S CB 0.565 63.839 63.200 0.124 0.000 0.962 373 S HN 0.600 nan 8.310 nan 0.000 0.503 374 L N 3.233 124.531 121.223 0.125 0.000 2.346 374 L HA 0.584 4.924 4.340 0.000 0.000 0.276 374 L C -2.285 174.609 176.870 0.041 0.000 1.006 374 L CA -2.561 52.301 54.840 0.037 0.000 0.817 374 L CB 2.166 44.215 42.059 -0.018 0.000 1.272 374 L HN 0.507 nan 8.230 nan 0.000 0.421 375 P HA 0.109 nan 4.420 nan 0.000 0.274 375 P C -0.537 176.771 177.300 0.012 0.000 1.237 375 P CA -0.412 62.693 63.100 0.009 0.000 0.793 375 P CB 1.244 32.935 31.700 -0.015 0.000 0.977 376 S N -0.072 115.646 115.700 0.031 0.000 2.603 376 S HA 0.128 4.598 4.470 0.000 0.000 0.268 376 S C 0.234 174.843 174.600 0.016 0.000 1.317 376 S CA -0.304 57.922 58.200 0.043 0.000 1.012 376 S CB -0.342 62.892 63.200 0.057 0.000 0.926 376 S HN 0.560 nan 8.310 nan 0.000 0.539 377 D N -0.336 120.077 120.400 0.022 0.000 2.737 377 D HA -0.157 4.484 4.640 0.000 0.000 0.233 377 D C 0.069 176.353 176.300 -0.026 0.000 1.155 377 D CA 1.387 55.391 54.000 0.006 0.000 0.667 377 D CB -1.661 39.148 40.800 0.014 0.000 1.060 377 D HN 0.901 nan 8.370 nan 0.000 0.427 378 A N 0.211 122.995 122.820 -0.061 0.000 2.354 378 A HA 0.636 4.956 4.320 0.000 0.000 0.321 378 A C 0.051 177.531 177.584 -0.173 0.000 1.125 378 A CA -0.702 51.272 52.037 -0.105 0.000 0.799 378 A CB 1.135 20.066 19.000 -0.114 0.000 1.293 378 A HN 0.127 nan 8.150 nan 0.000 0.452 379 N N 0.491 119.085 118.700 -0.177 0.000 2.479 379 N HA 0.531 5.272 4.740 0.000 0.000 0.285 379 N C -1.024 174.288 175.510 -0.329 0.000 1.075 379 N CA -0.360 52.553 53.050 -0.229 0.000 0.967 379 N CB 1.193 39.595 38.487 -0.141 0.000 1.137 379 N HN 0.421 nan 8.380 nan 0.000 0.472 380 I N 1.065 121.325 120.570 -0.516 0.000 2.545 380 I HA 0.302 4.472 4.170 0.000 0.000 0.292 380 I C -0.182 175.673 176.117 -0.436 0.000 1.040 380 I CA -0.503 60.426 61.300 -0.618 0.000 1.068 380 I CB 1.729 39.009 38.000 -1.200 0.000 1.251 380 I HN 0.632 nan 8.210 nan 0.000 0.424 381 E N 6.187 126.222 120.200 -0.276 0.000 2.155 381 E HA 0.523 4.873 4.350 0.000 0.000 0.264 381 E C -1.360 175.137 176.600 -0.171 0.000 0.886 381 E CA -0.573 55.732 56.400 -0.158 0.000 0.752 381 E CB 1.425 31.062 29.700 -0.105 0.000 1.133 381 E HN 0.352 nan 8.360 nan 0.000 0.414 382 I N 3.280 123.757 120.570 -0.155 0.000 2.441 382 I HA 0.309 4.479 4.170 0.000 0.000 0.295 382 I C 0.050 175.891 176.117 -0.460 0.000 0.994 382 I CA -0.759 60.338 61.300 -0.338 0.000 1.144 382 I CB 1.192 38.985 38.000 -0.345 0.000 1.314 382 I HN 0.488 nan 8.210 nan 0.000 0.445 383 S N 4.631 119.970 115.700 -0.602 0.000 2.526 383 S HA 0.747 5.218 4.470 0.000 0.000 0.293 383 S C -0.992 173.148 174.600 -0.765 0.000 1.092 383 S CA -0.605 57.304 58.200 -0.486 0.000 0.980 383 S CB 1.519 64.593 63.200 -0.210 0.000 1.048 383 S HN 0.310 nan 8.310 nan 0.000 0.483 384 F N 2.080 121.864 119.950 -0.277 0.000 2.449 384 F HA 0.401 4.928 4.527 0.000 0.000 0.329 384 F C -2.486 173.089 175.800 -0.375 0.000 1.245 384 F CA -2.227 55.495 58.000 -0.462 0.000 1.193 384 F CB 1.012 39.814 39.000 -0.330 0.000 1.425 384 F HN 0.331 nan 8.300 nan 0.000 0.544 385 P HA 0.118 nan 4.420 nan 0.000 0.267 385 P C -0.108 177.163 177.300 -0.049 0.000 1.209 385 P CA 0.175 63.211 63.100 -0.107 0.000 0.763 385 P CB 1.088 32.721 31.700 -0.112 0.000 0.816 386 A N 3.358 126.235 122.820 0.096 0.000 2.440 386 A HA 0.488 4.808 4.320 0.000 0.000 0.251 386 A C 0.483 178.179 177.584 0.186 0.000 1.089 386 A CA 0.288 52.459 52.037 0.223 0.000 0.779 386 A CB -0.166 18.957 19.000 0.205 0.000 1.022 386 A HN 0.564 nan 8.150 nan 0.000 0.492 387 T N -0.058 114.658 114.554 0.269 0.000 2.956 387 T HA 0.385 4.735 4.350 0.000 0.000 0.312 387 T C 1.081 175.912 174.700 0.218 0.000 1.151 387 T CA 0.177 62.401 62.100 0.207 0.000 1.024 387 T CB 1.171 70.152 68.868 0.187 0.000 1.140 387 T HN 1.371 nan 8.240 nan 0.000 0.473 388 S N 2.812 118.603 115.700 0.152 0.000 2.474 388 S HA 0.013 4.483 4.470 0.000 0.000 0.235 388 S C 2.330 177.012 174.600 0.136 0.000 0.997 388 S CA 1.013 59.291 58.200 0.130 0.000 0.949 388 S CB -0.572 62.682 63.200 0.091 0.000 0.766 388 S HN 0.941 nan 8.310 nan 0.000 0.517 389 A N 1.436 124.347 122.820 0.152 0.000 2.024 389 A HA 0.460 4.780 4.320 0.000 0.000 0.220 389 A C 1.371 179.069 177.584 0.189 0.000 1.164 389 A CA 1.106 53.237 52.037 0.156 0.000 0.643 389 A CB -0.860 18.231 19.000 0.152 0.000 0.806 389 A HN 1.008 nan 8.150 nan 0.000 0.451 390 A N -0.219 122.725 122.820 0.206 0.000 2.256 390 A HA 0.679 4.999 4.320 0.000 0.000 0.317 390 A C 0.309 177.965 177.584 0.119 0.000 1.318 390 A CA 0.068 52.174 52.037 0.115 0.000 0.894 390 A CB 0.072 19.119 19.000 0.078 0.000 1.165 390 A HN 1.067 nan 8.150 nan 0.000 0.525 391 A N 1.691 124.439 122.820 -0.119 0.000 2.407 391 A HA 0.602 4.922 4.320 0.000 0.000 0.248 391 A C 1.232 178.792 177.584 -0.041 0.000 1.082 391 A CA 0.461 52.432 52.037 -0.109 0.000 0.785 391 A CB -0.030 18.827 19.000 -0.239 0.000 1.020 391 A HN 2.611 nan 8.150 nan 0.000 0.489 392 G N 1.086 109.877 108.800 -0.015 0.000 2.151 392 G HA2 0.180 4.140 3.960 0.000 0.000 0.156 392 G HA3 0.180 4.140 3.960 0.000 0.000 0.156 392 G C 0.585 175.247 174.900 -0.398 0.000 1.017 392 G CA 0.110 45.184 45.100 -0.044 0.000 0.686 392 G HN 1.742 nan 8.290 nan 0.000 0.503 393 G N 0.127 108.730 108.800 -0.328 0.000 2.544 393 G HA2 0.572 4.532 3.960 0.000 0.000 0.242 393 G HA3 0.572 4.532 3.960 0.000 0.000 0.242 393 G C -1.610 173.196 174.900 -0.157 0.000 1.247 393 G CA -0.515 44.388 45.100 -0.328 0.000 0.840 393 G HN 0.264 nan 8.290 nan 0.000 0.578 394 P HA 0.234 nan 4.420 nan 0.000 0.285 394 P C -0.591 176.624 177.300 -0.142 0.000 1.259 394 P CA -0.344 62.709 63.100 -0.078 0.000 0.794 394 P CB 0.689 32.377 31.700 -0.020 0.000 0.940 395 H N 3.901 123.026 119.070 0.091 0.000 2.723 395 H HA 0.201 4.757 4.556 0.000 0.000 0.294 395 H C -2.077 173.257 175.328 0.010 0.000 1.079 395 H CA -1.769 54.329 56.048 0.083 0.000 1.411 395 H CB 0.552 30.422 29.762 0.181 0.000 1.439 395 H HN 0.289 nan 8.280 nan 0.000 0.474 396 P HA 0.151 nan 4.420 nan 0.000 0.291 396 P C -0.565 176.695 177.300 -0.068 0.000 1.340 396 P CA -0.311 62.779 63.100 -0.017 0.000 0.799 396 P CB 0.023 31.736 31.700 0.023 0.000 0.917 397 F N 3.056 122.876 119.950 -0.216 0.000 2.384 397 F HA 0.361 4.889 4.527 0.001 0.000 0.338 397 F C 1.178 176.931 175.800 -0.079 0.000 1.103 397 F CA 0.381 58.202 58.000 -0.299 0.000 1.157 397 F CB 0.860 39.443 39.000 -0.695 0.000 1.167 397 F HN 0.396 nan 8.300 nan 0.000 0.529 398 H N 3.463 122.482 119.070 -0.085 0.000 2.589 398 H HA 0.562 5.118 4.556 0.000 0.000 0.351 398 H C -1.862 173.508 175.328 0.070 0.000 1.074 398 H CA -1.059 55.020 56.048 0.051 0.000 1.203 398 H CB 1.551 31.362 29.762 0.081 0.000 1.558 398 H HN 0.542 nan 8.280 nan 0.000 0.522 399 L N 5.739 126.887 121.223 -0.125 0.000 2.296 399 L HA 0.339 4.679 4.340 0.000 0.000 0.286 399 L C -0.602 176.025 176.870 -0.405 0.000 1.023 399 L CA -0.248 54.496 54.840 -0.159 0.000 0.812 399 L CB 0.652 42.755 42.059 0.074 0.000 1.223 399 L HN 0.771 nan 8.230 nan 0.000 0.421 400 H N 3.866 122.723 119.070 -0.356 0.000 2.615 400 H HA 0.303 4.859 4.556 0.000 0.000 0.363 400 H C 0.976 176.102 175.328 -0.336 0.000 1.148 400 H CA 0.525 56.466 56.048 -0.178 0.000 1.401 400 H CB 1.134 30.973 29.762 0.128 0.000 1.461 400 H HN 0.942 nan 8.280 nan 0.000 0.588 401 G N 1.713 110.210 108.800 -0.506 0.000 2.212 401 G HA2 -0.228 3.732 3.960 0.000 0.000 0.266 401 G HA3 -0.228 3.732 3.960 0.000 0.000 0.266 401 G C 0.058 174.230 174.900 -1.214 0.000 0.978 401 G CA 0.302 44.567 45.100 -1.392 0.000 0.632 401 G HN 0.795 nan 8.290 nan 0.000 0.537 402 H N -0.512 118.318 119.070 -0.400 0.000 3.012 402 H HA 0.659 5.215 4.556 0.001 0.000 0.367 402 H C 0.073 175.379 175.328 -0.037 0.000 1.211 402 H CA -0.172 55.641 56.048 -0.392 0.000 1.139 402 H CB 1.699 31.249 29.762 -0.354 0.000 1.838 402 H HN 0.601 nan 8.280 nan 0.000 0.550 403 A N 2.035 124.954 122.820 0.164 0.000 2.304 403 A HA 0.638 4.958 4.320 0.000 0.000 0.301 403 A C -0.807 176.896 177.584 0.200 0.000 1.132 403 A CA -0.449 51.674 52.037 0.143 0.000 0.819 403 A CB -0.001 19.186 19.000 0.311 0.000 1.094 403 A HN 0.463 nan 8.150 nan 0.000 0.492 404 F N -0.451 119.608 119.950 0.182 0.000 2.577 404 F HA 0.796 5.323 4.527 0.001 0.000 0.318 404 F C 0.134 175.738 175.800 -0.327 0.000 1.065 404 F CA -1.487 56.534 58.000 0.036 0.000 0.929 404 F CB 1.271 40.308 39.000 0.061 0.000 1.237 404 F HN 0.645 nan 8.300 nan 0.000 0.468 405 A N 1.552 124.098 122.820 -0.457 0.000 2.362 405 A HA 0.579 4.899 4.320 0.000 0.000 0.276 405 A C -0.570 176.967 177.584 -0.079 0.000 1.153 405 A CA -0.624 50.959 52.037 -0.757 0.000 0.813 405 A CB 0.242 18.695 19.000 -0.911 0.000 1.081 405 A HN 0.746 nan 8.150 nan 0.000 0.507 406 V N 5.420 125.328 119.914 -0.009 0.000 2.299 406 V HA 0.066 4.187 4.120 0.000 0.000 0.255 406 V C 1.464 177.549 176.094 -0.015 0.000 1.100 406 V CA 0.436 62.781 62.300 0.074 0.000 0.938 406 V CB 0.214 32.102 31.823 0.108 0.000 1.139 406 V HN 0.918 nan 8.190 nan 0.000 0.490 407 V N 2.392 122.294 119.914 -0.021 0.000 2.871 407 V HA 0.184 4.304 4.120 0.000 0.000 0.256 407 V C 0.936 176.929 176.094 -0.169 0.000 1.082 407 V CA 0.811 63.061 62.300 -0.083 0.000 1.105 407 V CB -0.431 31.374 31.823 -0.031 0.000 0.713 407 V HN 0.714 nan 8.190 nan 0.000 0.473 408 R N 0.372 120.778 120.500 -0.158 0.000 2.518 408 R HA 0.548 4.888 4.340 0.000 0.000 0.296 408 R C -0.823 175.384 176.300 -0.155 0.000 1.080 408 R CA 0.085 56.008 56.100 -0.295 0.000 0.922 408 R CB 1.765 31.727 30.300 -0.564 0.000 1.184 408 R HN 0.316 nan 8.270 nan 0.000 0.445 409 S N 2.164 117.786 115.700 -0.130 0.000 2.632 409 S HA 0.606 5.076 4.470 0.000 0.000 0.271 409 S C -0.156 174.401 174.600 -0.072 0.000 1.260 409 S CA -0.275 57.883 58.200 -0.070 0.000 1.010 409 S CB 1.476 64.650 63.200 -0.044 0.000 0.965 409 S HN 0.783 nan 8.310 nan 0.000 0.534 410 A N 0.839 123.631 122.820 -0.047 0.000 2.540 410 A HA 0.471 4.791 4.320 0.000 0.000 0.239 410 A C 1.434 179.006 177.584 -0.019 0.000 1.061 410 A CA 0.348 52.365 52.037 -0.033 0.000 0.758 410 A CB -1.135 17.837 19.000 -0.047 0.000 0.991 410 A HN 1.858 nan 8.150 nan 0.000 0.502 411 G N 0.507 109.300 108.800 -0.012 0.000 2.143 411 G HA2 -0.068 3.892 3.960 0.000 0.000 0.248 411 G HA3 -0.068 3.892 3.960 0.000 0.000 0.248 411 G C 0.276 175.165 174.900 -0.018 0.000 0.991 411 G CA 0.737 45.835 45.100 -0.003 0.000 0.689 411 G HN 1.895 nan 8.290 nan 0.000 0.522 412 S N -1.288 114.385 115.700 -0.045 0.000 2.549 412 S HA 0.720 5.191 4.470 0.000 0.000 0.280 412 S C 0.991 175.530 174.600 -0.101 0.000 1.109 412 S CA 0.885 59.047 58.200 -0.064 0.000 0.905 412 S CB 1.644 64.796 63.200 -0.080 0.000 1.081 412 S HN 1.098 nan 8.310 nan 0.000 0.477 413 T N -0.332 114.173 114.554 -0.082 0.000 3.054 413 T HA 0.232 4.582 4.350 0.000 0.000 0.255 413 T C 0.839 175.471 174.700 -0.112 0.000 1.035 413 T CA 0.346 62.396 62.100 -0.084 0.000 0.941 413 T CB -0.101 68.763 68.868 -0.006 0.000 1.026 413 T HN 0.646 nan 8.240 nan 0.000 0.533 414 T N 0.673 115.146 114.554 -0.136 0.000 2.922 414 T HA 0.546 4.896 4.350 0.000 0.000 0.285 414 T C -1.278 173.262 174.700 -0.267 0.000 1.005 414 T CA -0.651 61.395 62.100 -0.091 0.000 1.061 414 T CB 0.574 69.428 68.868 -0.023 0.000 1.007 414 T HN 0.261 nan 8.240 nan 0.000 0.502 415 Y N 3.117 123.327 120.300 -0.149 0.000 2.328 415 Y HA 0.445 4.995 4.550 0.000 0.000 0.337 415 Y C 0.501 176.110 175.900 -0.484 0.000 0.966 415 Y CA -0.992 56.893 58.100 -0.359 0.000 1.136 415 Y CB 1.363 39.581 38.460 -0.403 0.000 1.170 415 Y HN 0.629 nan 8.280 nan 0.000 0.470 416 N N 2.999 121.491 118.700 -0.346 0.000 2.501 416 N HA 0.150 4.891 4.740 0.000 0.000 0.245 416 N C -0.954 174.405 175.510 -0.250 0.000 0.974 416 N CA -0.432 52.491 53.050 -0.212 0.000 0.941 416 N CB 0.347 38.806 38.487 -0.047 0.000 1.122 416 N HN 0.508 nan 8.380 nan 0.000 0.507 417 Y N 1.390 121.754 120.300 0.107 0.000 2.485 417 Y HA 0.276 4.826 4.550 0.000 0.000 0.260 417 Y C 1.793 177.748 175.900 0.091 0.000 1.173 417 Y CA -0.298 57.855 58.100 0.088 0.000 1.252 417 Y CB -0.084 38.416 38.460 0.066 0.000 1.123 417 Y HN 0.589 nan 8.280 nan 0.000 0.524 418 N N 0.593 119.405 118.700 0.187 0.000 2.324 418 N HA -0.092 4.648 4.740 0.000 0.000 0.192 418 N C 0.154 175.760 175.510 0.161 0.000 1.046 418 N CA 1.206 54.348 53.050 0.153 0.000 0.898 418 N CB 0.302 38.855 38.487 0.111 0.000 1.079 418 N HN 0.237 nan 8.380 nan 0.000 0.456 419 D N 0.034 120.533 120.400 0.165 0.000 2.940 419 D HA 0.266 4.907 4.640 0.000 0.000 0.366 419 D C -2.747 173.749 176.300 0.328 0.000 1.446 419 D CA -1.377 52.756 54.000 0.222 0.000 0.780 419 D CB 0.456 41.337 40.800 0.136 0.000 1.206 419 D HN 0.199 nan 8.370 nan 0.000 0.454 420 P HA 0.195 nan 4.420 nan 0.000 0.274 420 P C 0.533 177.948 177.300 0.190 0.000 1.246 420 P CA -0.732 62.462 63.100 0.157 0.000 0.795 420 P CB 1.349 33.075 31.700 0.043 0.000 1.006 421 I N 0.827 121.460 120.570 0.105 0.000 2.892 421 I HA 0.077 4.248 4.170 0.000 0.000 0.287 421 I C -0.157 176.065 176.117 0.175 0.000 1.205 421 I CA 0.264 61.657 61.300 0.155 0.000 1.409 421 I CB -0.478 37.556 38.000 0.057 0.000 1.367 421 I HN 0.095 nan 8.210 nan 0.000 0.597 422 F N 6.626 126.583 119.950 0.012 0.000 2.450 422 F HA 0.675 5.202 4.527 0.001 0.000 0.332 422 F C 0.478 176.187 175.800 -0.151 0.000 1.093 422 F CA -0.296 57.686 58.000 -0.030 0.000 1.003 422 F CB 1.037 40.040 39.000 0.004 0.000 1.151 422 F HN 0.486 nan 8.300 nan 0.000 0.474 423 R N 0.462 120.822 120.500 -0.234 0.000 3.034 423 R HA 0.506 4.846 4.340 0.000 0.000 0.264 423 R C -1.397 174.375 176.300 -0.881 0.000 1.030 423 R CA -0.622 55.247 56.100 -0.386 0.000 0.903 423 R CB 0.955 31.096 30.300 -0.265 0.000 1.414 423 R HN 0.468 nan 8.270 nan 0.000 0.429 424 D N -1.301 118.763 120.400 -0.560 0.000 2.514 424 D HA 0.168 4.809 4.640 0.000 0.000 0.225 424 D C -0.736 175.718 176.300 0.256 0.000 1.159 424 D CA -0.010 53.781 54.000 -0.348 0.000 0.823 424 D CB 1.088 41.908 40.800 0.033 0.000 1.097 424 D HN 0.418 nan 8.370 nan 0.000 0.519 425 T N 0.405 115.053 114.554 0.158 0.000 2.879 425 T HA 0.572 4.922 4.350 0.000 0.000 0.290 425 T C -1.490 173.334 174.700 0.207 0.000 0.993 425 T CA -0.722 61.532 62.100 0.257 0.000 0.975 425 T CB 2.330 71.239 68.868 0.067 0.000 0.981 425 T HN -0.027 nan 8.240 nan 0.000 0.439 426 V N 2.901 122.947 119.914 0.220 0.000 2.686 426 V HA 0.675 4.796 4.120 0.000 0.000 0.306 426 V C -0.032 176.009 176.094 -0.089 0.000 1.065 426 V CA -0.650 61.706 62.300 0.093 0.000 0.894 426 V CB 2.176 34.121 31.823 0.203 0.000 1.004 426 V HN 0.946 nan 8.190 nan 0.000 0.424 427 S N 3.629 119.177 115.700 -0.253 0.000 2.516 427 S HA 0.101 4.572 4.470 0.000 0.000 0.282 427 S C 1.213 175.696 174.600 -0.196 0.000 1.286 427 S CA 0.391 58.334 58.200 -0.429 0.000 1.066 427 S CB 0.781 63.406 63.200 -0.958 0.000 0.884 427 S HN 1.197 nan 8.310 nan 0.000 0.491 428 T N 2.562 117.071 114.554 -0.076 0.000 3.188 428 T HA 0.472 4.822 4.350 0.000 0.000 0.250 428 T C 1.256 176.010 174.700 0.091 0.000 1.077 428 T CA 0.225 62.350 62.100 0.042 0.000 0.967 428 T CB -1.001 67.979 68.868 0.186 0.000 1.006 428 T HN 1.450 nan 8.240 nan 0.000 0.552 429 G N 1.745 110.550 108.800 0.009 0.000 2.601 429 G HA2 -0.108 3.852 3.960 0.000 0.000 0.252 429 G HA3 -0.108 3.852 3.960 0.000 0.000 0.252 429 G C -0.093 174.862 174.900 0.092 0.000 1.294 429 G CA -0.026 45.093 45.100 0.032 0.000 0.912 429 G HN 1.407 nan 8.290 nan 0.000 0.574 430 T N -1.913 112.692 114.554 0.084 0.000 2.887 430 T HA 0.749 5.100 4.350 0.000 0.000 0.288 430 T C -1.155 173.606 174.700 0.101 0.000 1.021 430 T CA -0.668 61.490 62.100 0.096 0.000 1.000 430 T CB 2.973 71.879 68.868 0.064 0.000 1.034 430 T HN 0.498 nan 8.240 nan 0.000 0.467 431 P HA -0.059 nan 4.420 nan 0.000 0.218 431 P C 1.592 178.934 177.300 0.070 0.000 1.149 431 P CA 1.162 64.323 63.100 0.101 0.000 0.817 431 P CB -0.280 31.487 31.700 0.112 0.000 0.785 432 A N 0.517 123.373 122.820 0.060 0.000 2.019 432 A HA -0.005 4.315 4.320 0.000 0.000 0.219 432 A C 2.280 179.887 177.584 0.038 0.000 1.164 432 A CA 1.849 53.913 52.037 0.044 0.000 0.644 432 A CB -1.278 17.744 19.000 0.038 0.000 0.805 432 A HN 0.264 nan 8.150 nan 0.000 0.449 433 A N -1.229 121.616 122.820 0.040 0.000 2.275 433 A HA 0.241 4.561 4.320 0.000 0.000 0.212 433 A C 0.717 178.319 177.584 0.030 0.000 1.201 433 A CA 0.384 52.440 52.037 0.031 0.000 0.843 433 A CB -0.322 18.695 19.000 0.028 0.000 0.873 433 A HN 0.490 nan 8.150 nan 0.000 0.492 434 N N 1.225 119.948 118.700 0.039 0.000 2.735 434 N HA -0.124 4.617 4.740 0.000 0.000 0.248 434 N C -1.235 174.295 175.510 0.033 0.000 1.083 434 N CA 1.101 54.173 53.050 0.038 0.000 0.703 434 N CB -1.202 37.305 38.487 0.033 0.000 1.005 434 N HN 0.540 nan 8.380 nan 0.000 0.550 435 D N 0.941 121.364 120.400 0.038 0.000 2.443 435 D HA 0.081 4.721 4.640 0.000 0.000 0.239 435 D C 0.767 177.085 176.300 0.030 0.000 1.136 435 D CA 0.522 54.537 54.000 0.025 0.000 0.879 435 D CB 0.505 41.328 40.800 0.037 0.000 1.195 435 D HN 0.101 nan 8.370 nan 0.000 0.443 436 N N 1.901 120.604 118.700 0.005 0.000 2.733 436 N HA 0.071 4.812 4.740 0.000 0.000 0.271 436 N C -1.226 174.289 175.510 0.009 0.000 1.720 436 N CA -0.328 52.733 53.050 0.018 0.000 0.803 436 N CB 0.569 39.083 38.487 0.045 0.000 1.208 436 N HN 0.016 nan 8.380 nan 0.000 0.498 437 V N 1.726 121.664 119.914 0.040 0.000 2.539 437 V HA 0.020 4.140 4.120 0.000 0.000 0.300 437 V C 0.533 176.710 176.094 0.139 0.000 1.019 437 V CA 0.748 63.084 62.300 0.059 0.000 1.160 437 V CB 0.212 32.073 31.823 0.064 0.000 0.901 437 V HN 0.360 nan 8.190 nan 0.000 0.481 438 T N 6.912 121.508 114.554 0.070 0.000 2.848 438 T HA 0.714 5.064 4.350 0.000 0.000 0.285 438 T C -0.335 174.408 174.700 0.072 0.000 0.995 438 T CA -0.304 61.844 62.100 0.080 0.000 0.970 438 T CB 1.340 70.300 68.868 0.153 0.000 0.976 438 T HN 0.648 nan 8.240 nan 0.000 0.441 439 I N -0.077 120.523 120.570 0.052 0.000 2.892 439 I HA 0.849 5.019 4.170 0.000 0.000 0.306 439 I C -0.796 175.357 176.117 0.060 0.000 1.078 439 I CA -1.273 60.045 61.300 0.030 0.000 1.032 439 I CB 2.204 40.082 38.000 -0.203 0.000 1.229 439 I HN 0.355 nan 8.210 nan 0.000 0.435 440 R N 3.203 123.769 120.500 0.109 0.000 2.673 440 R HA 0.741 5.081 4.340 0.000 0.000 0.281 440 R C -1.678 174.762 176.300 0.233 0.000 0.991 440 R CA -0.633 55.523 56.100 0.094 0.000 0.896 440 R CB 2.467 32.789 30.300 0.036 0.000 1.201 440 R HN 0.753 nan 8.270 nan 0.000 0.457 441 F N -0.870 119.060 119.950 -0.033 0.000 2.711 441 F HA 0.626 5.153 4.527 0.000 0.000 0.313 441 F C -1.326 174.423 175.800 -0.086 0.000 1.141 441 F CA -1.432 56.554 58.000 -0.023 0.000 0.941 441 F CB 1.277 40.241 39.000 -0.059 0.000 1.349 441 F HN 0.154 nan 8.300 nan 0.000 0.464 442 K N 0.847 121.271 120.400 0.039 0.000 2.206 442 K HA 0.475 4.795 4.320 0.000 0.000 0.264 442 K C -0.577 176.025 176.600 0.003 0.000 0.967 442 K CA -0.318 55.938 56.287 -0.052 0.000 0.844 442 K CB 1.391 33.923 32.500 0.054 0.000 1.099 442 K HN 0.815 nan 8.250 nan 0.000 0.441 443 T N 1.878 116.389 114.554 -0.071 0.000 3.455 443 T HA 0.119 4.469 4.350 0.000 0.000 0.286 443 T C 0.122 174.917 174.700 0.159 0.000 1.157 443 T CA -0.658 61.493 62.100 0.085 0.000 1.090 443 T CB -0.651 68.225 68.868 0.014 0.000 1.112 443 T HN 0.649 nan 8.240 nan 0.000 0.779 444 N N 1.138 119.979 118.700 0.235 0.000 2.234 444 N HA 0.116 4.856 4.740 0.000 0.000 0.227 444 N C -0.365 175.222 175.510 0.128 0.000 1.151 444 N CA -0.666 52.468 53.050 0.140 0.000 0.865 444 N CB 0.224 38.760 38.487 0.083 0.000 1.066 444 N HN 0.470 nan 8.380 nan 0.000 0.515 445 N N 0.634 119.459 118.700 0.209 0.000 2.732 445 N HA 0.316 5.056 4.740 0.000 0.000 0.247 445 N C -3.211 172.567 175.510 0.446 0.000 1.305 445 N CA -1.219 51.946 53.050 0.191 0.000 0.762 445 N CB 1.546 39.932 38.487 -0.170 0.000 1.361 445 N HN -0.075 nan 8.380 nan 0.000 0.545 446 P HA 0.387 nan 4.420 nan 0.000 0.267 446 P C 0.011 177.460 177.300 0.248 0.000 1.205 446 P CA 0.432 63.704 63.100 0.287 0.000 0.765 446 P CB 0.752 32.550 31.700 0.164 0.000 0.828 447 G N 3.534 112.388 108.800 0.091 0.000 2.350 447 G HA2 0.205 4.165 3.960 0.000 0.000 0.304 447 G HA3 0.205 4.165 3.960 0.000 0.000 0.304 447 G C -3.451 171.105 174.900 -0.573 0.000 1.421 447 G CA -0.909 43.975 45.100 -0.359 0.000 0.934 447 G HN 0.229 nan 8.290 nan 0.000 0.632 448 P HA 0.380 nan 4.420 nan 0.000 0.276 448 P C -1.156 175.774 177.300 -0.616 0.000 1.235 448 P CA 0.178 63.050 63.100 -0.379 0.000 0.772 448 P CB 0.358 31.915 31.700 -0.239 0.000 0.871 449 W N 2.758 124.125 121.300 0.112 0.000 2.900 449 W HA 0.341 5.001 4.660 0.000 0.000 0.336 449 W C -0.375 176.181 176.519 0.061 0.000 1.064 449 W CA -0.789 56.612 57.345 0.095 0.000 1.237 449 W CB 1.233 30.833 29.460 0.232 0.000 1.391 449 W HN 0.207 nan 8.180 nan 0.000 0.468 450 F N 4.010 123.912 119.950 -0.079 0.000 2.471 450 F HA 0.385 4.912 4.527 0.000 0.000 0.353 450 F C -0.114 175.610 175.800 -0.127 0.000 1.113 450 F CA -0.958 56.874 58.000 -0.280 0.000 1.262 450 F CB 0.661 39.260 39.000 -0.669 0.000 1.146 450 F HN 0.108 nan 8.300 nan 0.000 0.578 451 L N 6.411 127.620 121.223 -0.023 0.000 2.372 451 L HA 0.448 4.788 4.340 0.000 0.000 0.274 451 L C -1.264 175.512 176.870 -0.158 0.000 0.988 451 L CA -0.175 54.587 54.840 -0.130 0.000 0.833 451 L CB 1.154 43.049 42.059 -0.274 0.000 1.236 451 L HN 0.777 nan 8.230 nan 0.000 0.410 452 H N 1.599 120.495 119.070 -0.291 0.000 2.981 452 H HA 0.472 5.029 4.556 0.000 0.000 0.327 452 H C -1.138 173.580 175.328 -1.017 0.000 1.342 452 H CA -1.008 54.656 56.048 -0.641 0.000 1.123 452 H CB 0.755 30.001 29.762 -0.861 0.000 1.851 452 H HN 0.672 nan 8.280 nan 0.000 0.531 453 C N 1.975 120.469 119.300 -1.343 0.000 2.632 453 C HA 0.115 4.575 4.460 0.000 0.000 0.415 453 C C 1.124 175.940 174.990 -0.290 0.000 1.332 453 C CA -0.040 58.300 59.018 -1.130 0.000 1.874 453 C CB -0.913 26.347 27.740 -0.800 0.000 2.596 453 C HN 0.979 nan 8.230 nan 0.000 0.590 454 H N 4.487 123.414 119.070 -0.237 0.000 2.524 454 H HA 0.295 4.851 4.556 0.000 0.000 0.280 454 H C 0.434 175.755 175.328 -0.012 0.000 1.018 454 H CA 0.205 56.257 56.048 0.007 0.000 1.165 454 H CB -0.025 29.763 29.762 0.043 0.000 1.411 454 H HN 0.643 nan 8.280 nan 0.000 0.569 455 I N 1.534 122.100 120.570 -0.008 0.000 2.406 455 I HA -0.100 4.070 4.170 0.000 0.000 0.293 455 I C 1.411 177.403 176.117 -0.208 0.000 1.101 455 I CA 0.047 61.254 61.300 -0.156 0.000 1.334 455 I CB 0.670 38.412 38.000 -0.430 0.000 1.421 455 I HN 0.011 nan 8.210 nan 0.000 0.513 456 D N 4.948 125.157 120.400 -0.317 0.000 2.178 456 D HA -0.189 4.451 4.640 0.000 0.000 0.201 456 D C 1.766 177.842 176.300 -0.374 0.000 0.980 456 D CA 1.733 55.480 54.000 -0.422 0.000 0.842 456 D CB 0.132 40.495 40.800 -0.728 0.000 0.948 456 D HN 0.458 nan 8.370 nan 0.000 0.472 457 F N -0.221 119.645 119.950 -0.140 0.000 2.293 457 F HA -0.031 4.497 4.527 0.000 0.000 0.300 457 F C 2.362 178.257 175.800 0.158 0.000 1.086 457 F CA 1.038 59.020 58.000 -0.030 0.000 1.375 457 F CB -0.647 38.328 39.000 -0.042 0.000 1.045 457 F HN 0.271 nan 8.300 nan 0.000 0.516 458 H N -1.206 117.925 119.070 0.102 0.000 2.384 458 H HA -0.044 4.512 4.556 0.001 0.000 0.300 458 H C 2.142 177.481 175.328 0.018 0.000 1.057 458 H CA 0.685 56.735 56.048 0.004 0.000 1.370 458 H CB -0.137 29.528 29.762 -0.161 0.000 1.417 458 H HN 0.174 nan 8.280 nan 0.000 0.527 459 L N 1.892 123.156 121.223 0.068 0.000 2.012 459 L HA -0.211 4.129 4.340 0.000 0.000 0.210 459 L C 2.311 179.201 176.870 0.032 0.000 1.073 459 L CA 2.014 56.817 54.840 -0.062 0.000 0.748 459 L CB -0.408 41.476 42.059 -0.291 0.000 0.891 459 L HN 0.181 nan 8.230 nan 0.000 0.431 460 E N 0.085 120.317 120.200 0.054 0.000 2.204 460 E HA -0.155 4.196 4.350 0.000 0.000 0.195 460 E C 1.621 178.312 176.600 0.152 0.000 0.990 460 E CA 1.304 57.766 56.400 0.104 0.000 0.821 460 E CB -0.267 29.484 29.700 0.085 0.000 0.750 460 E HN 0.568 nan 8.360 nan 0.000 0.477 461 A N -0.697 122.237 122.820 0.191 0.000 2.415 461 A HA 0.514 4.835 4.320 0.000 0.000 0.248 461 A C 1.422 179.113 177.584 0.179 0.000 1.299 461 A CA 0.415 52.571 52.037 0.198 0.000 0.899 461 A CB -0.394 18.789 19.000 0.304 0.000 0.997 461 A HN 0.509 nan 8.150 nan 0.000 0.506 462 G N -1.792 107.131 108.800 0.206 0.000 2.148 462 G HA2 -0.210 3.751 3.960 0.000 0.000 0.203 462 G HA3 -0.210 3.751 3.960 0.000 0.000 0.203 462 G C -0.031 175.060 174.900 0.319 0.000 0.993 462 G CA -0.026 45.217 45.100 0.238 0.000 0.661 462 G HN 0.453 nan 8.290 nan 0.000 0.518 463 F N 2.293 122.274 119.950 0.052 0.000 2.659 463 F HA 0.664 5.191 4.527 0.000 0.000 0.360 463 F C 0.605 176.376 175.800 -0.048 0.000 1.218 463 F CA -0.690 57.307 58.000 -0.004 0.000 1.317 463 F CB -0.418 38.433 39.000 -0.248 0.000 1.697 463 F HN 0.701 nan 8.300 nan 0.000 0.637 464 A N 2.467 125.376 122.820 0.149 0.000 2.566 464 A HA 0.721 5.041 4.320 0.000 0.000 0.297 464 A C -1.395 176.241 177.584 0.086 0.000 1.059 464 A CA -0.358 51.597 52.037 -0.137 0.000 0.691 464 A CB 1.288 19.927 19.000 -0.601 0.000 1.282 464 A HN 0.458 nan 8.150 nan 0.000 0.401 465 V N -0.997 118.934 119.914 0.028 0.000 3.102 465 V HA 0.946 5.066 4.120 0.000 0.000 0.312 465 V C -0.740 175.434 176.094 0.132 0.000 1.135 465 V CA -0.896 61.512 62.300 0.180 0.000 1.022 465 V CB 1.641 33.576 31.823 0.187 0.000 1.056 465 V HN 0.926 nan 8.190 nan 0.000 0.436 466 V N 2.113 122.169 119.914 0.237 0.000 2.448 466 V HA 0.517 4.638 4.120 0.000 0.000 0.295 466 V C -0.911 175.342 176.094 0.265 0.000 1.025 466 V CA -0.199 62.217 62.300 0.194 0.000 0.859 466 V CB 1.391 33.327 31.823 0.189 0.000 0.988 466 V HN 0.718 nan 8.190 nan 0.000 0.431 467 F N 3.405 123.544 119.950 0.314 0.000 2.375 467 F HA 0.562 5.089 4.527 0.000 0.000 0.362 467 F C 0.806 176.763 175.800 0.263 0.000 1.129 467 F CA -1.294 56.900 58.000 0.322 0.000 1.154 467 F CB 1.073 40.289 39.000 0.361 0.000 1.205 467 F HN 0.532 nan 8.300 nan 0.000 0.513 468 A N 4.711 127.774 122.820 0.406 0.000 2.666 468 A HA 0.242 4.562 4.320 0.000 0.000 0.312 468 A C 0.281 178.009 177.584 0.240 0.000 1.471 468 A CA -0.457 51.721 52.037 0.236 0.000 1.134 468 A CB -0.371 18.729 19.000 0.166 0.000 1.129 468 A HN 0.735 nan 8.150 nan 0.000 0.539 469 Q N 2.470 122.437 119.800 0.278 0.000 2.294 469 Q HA 0.252 4.592 4.340 0.000 0.000 0.257 469 Q C -0.548 175.573 176.000 0.202 0.000 0.955 469 Q CA -0.196 55.781 55.803 0.291 0.000 0.936 469 Q CB 0.414 29.455 28.738 0.504 0.000 1.188 469 Q HN 0.734 nan 8.270 nan 0.000 0.420 470 D N 3.944 124.432 120.400 0.146 0.000 2.737 470 D HA -0.228 4.412 4.640 0.000 0.000 0.238 470 D C 0.226 176.579 176.300 0.088 0.000 1.157 470 D CA 0.661 54.725 54.000 0.108 0.000 0.694 470 D CB -0.987 39.884 40.800 0.118 0.000 1.021 470 D HN 0.801 nan 8.370 nan 0.000 0.420 471 I N 0.231 120.848 120.570 0.078 0.000 2.143 471 I HA -0.267 3.903 4.170 0.000 0.000 0.245 471 I C -0.441 175.705 176.117 0.048 0.000 1.068 471 I CA 1.494 62.830 61.300 0.059 0.000 1.326 471 I CB -1.004 37.030 38.000 0.057 0.000 1.028 471 I HN 0.317 nan 8.210 nan 0.000 0.412 472 P HA -0.209 nan 4.420 nan 0.000 0.218 472 P C 0.749 178.072 177.300 0.039 0.000 1.154 472 P CA 1.737 64.860 63.100 0.039 0.000 0.872 472 P CB -0.085 31.637 31.700 0.038 0.000 0.790 473 D N -2.032 118.397 120.400 0.048 0.000 2.340 473 D HA 0.050 4.691 4.640 0.000 0.000 0.217 473 D C 1.711 178.039 176.300 0.046 0.000 1.081 473 D CA 0.075 54.104 54.000 0.049 0.000 0.842 473 D CB 0.218 41.053 40.800 0.059 0.000 0.934 473 D HN 0.012 nan 8.370 nan 0.000 0.511 474 V N 1.782 121.718 119.914 0.037 0.000 2.237 474 V HA -0.266 3.854 4.120 0.000 0.000 0.245 474 V C 2.725 178.821 176.094 0.004 0.000 1.046 474 V CA 2.127 64.437 62.300 0.016 0.000 1.007 474 V CB -0.746 31.074 31.823 -0.005 0.000 0.638 474 V HN 0.210 nan 8.190 nan 0.000 0.445 475 A N 0.720 123.543 122.820 0.005 0.000 1.883 475 A HA -0.254 4.066 4.320 0.000 0.000 0.217 475 A C 2.550 180.136 177.584 0.003 0.000 1.186 475 A CA 2.786 54.821 52.037 -0.003 0.000 0.624 475 A CB -0.863 18.142 19.000 0.008 0.000 0.822 475 A HN 0.712 nan 8.150 nan 0.000 0.444 476 S N -0.475 115.236 115.700 0.017 0.000 2.414 476 S HA 0.225 4.695 4.470 0.000 0.000 0.227 476 S C 1.975 176.595 174.600 0.034 0.000 1.022 476 S CA 1.100 59.314 58.200 0.023 0.000 0.958 476 S CB -0.414 62.802 63.200 0.027 0.000 0.797 476 S HN 0.878 nan 8.310 nan 0.000 0.493 477 A N 2.007 124.852 122.820 0.043 0.000 2.067 477 A HA 0.212 4.532 4.320 0.000 0.000 0.217 477 A C 1.152 178.780 177.584 0.074 0.000 1.156 477 A CA 0.433 52.507 52.037 0.063 0.000 0.683 477 A CB -0.223 18.823 19.000 0.077 0.000 0.808 477 A HN 0.592 nan 8.150 nan 0.000 0.455 478 N N 1.328 120.060 118.700 0.054 0.000 2.914 478 N HA 0.210 4.950 4.740 0.000 0.000 0.304 478 N C -3.046 172.492 175.510 0.046 0.000 1.727 478 N CA -1.009 52.093 53.050 0.085 0.000 0.986 478 N CB 0.743 39.256 38.487 0.043 0.000 1.297 478 N HN 0.279 nan 8.380 nan 0.000 0.490 479 P HA -0.016 nan 4.420 nan 0.000 0.265 479 P C 0.087 177.264 177.300 -0.205 0.000 1.193 479 P CA 0.335 63.404 63.100 -0.053 0.000 0.765 479 P CB 0.565 32.256 31.700 -0.014 0.000 0.823 480 T N 0.616 114.963 114.554 -0.344 0.000 2.823 480 T HA 0.608 4.958 4.350 0.000 0.000 0.279 480 T C -2.365 172.071 174.700 -0.441 0.000 0.998 480 T CA -2.129 59.564 62.100 -0.679 0.000 0.994 480 T CB 0.993 69.458 68.868 -0.671 0.000 0.960 480 T HN 0.228 nan 8.240 nan 0.000 0.448 481 P HA 0.338 nan 4.420 nan 0.000 0.277 481 P C 0.537 177.794 177.300 -0.071 0.000 1.240 481 P CA -0.519 62.411 63.100 -0.283 0.000 0.798 481 P CB 0.899 32.384 31.700 -0.358 0.000 0.979 482 N N 1.182 119.869 118.700 -0.022 0.000 2.192 482 N HA -0.215 4.525 4.740 0.000 0.000 0.188 482 N C 1.824 177.369 175.510 0.059 0.000 1.013 482 N CA 1.666 54.732 53.050 0.026 0.000 0.863 482 N CB -0.315 38.179 38.487 0.011 0.000 0.990 482 N HN 0.523 nan 8.380 nan 0.000 0.430 483 A N -0.562 122.314 122.820 0.094 0.000 1.940 483 A HA -0.202 4.119 4.320 0.000 0.000 0.219 483 A C 1.961 179.646 177.584 0.167 0.000 1.176 483 A CA 1.420 53.566 52.037 0.182 0.000 0.631 483 A CB -1.129 18.054 19.000 0.306 0.000 0.814 483 A HN 0.716 nan 8.150 nan 0.000 0.446 484 W N 0.996 122.311 121.300 0.024 0.000 2.407 484 W HA -0.112 4.548 4.660 0.000 0.000 0.305 484 W C 2.373 178.803 176.519 -0.147 0.000 1.196 484 W CA 1.800 59.067 57.345 -0.129 0.000 1.311 484 W CB -0.228 29.177 29.460 -0.091 0.000 1.135 484 W HN 0.280 nan 8.180 nan 0.000 0.514 485 S N 0.513 116.281 115.700 0.113 0.000 2.400 485 S HA -0.211 4.259 4.470 0.000 0.000 0.232 485 S C 1.122 175.620 174.600 -0.170 0.000 1.025 485 S CA 1.695 59.875 58.200 -0.034 0.000 0.993 485 S CB -0.494 62.762 63.200 0.092 0.000 0.808 485 S HN 0.300 nan 8.310 nan 0.000 0.478 486 D N 0.846 121.165 120.400 -0.134 0.000 2.277 486 D HA 0.065 4.705 4.640 0.000 0.000 0.208 486 D C 1.711 177.900 176.300 -0.186 0.000 0.962 486 D CA 0.196 54.124 54.000 -0.119 0.000 0.865 486 D CB -0.243 40.524 40.800 -0.055 0.000 0.939 486 D HN 0.170 nan 8.370 nan 0.000 0.510 487 L N 0.698 121.720 121.223 -0.335 0.000 2.013 487 L HA -0.210 4.130 4.340 0.000 0.000 0.212 487 L C 2.467 179.188 176.870 -0.249 0.000 1.073 487 L CA 1.399 56.009 54.840 -0.383 0.000 0.753 487 L CB -0.785 40.860 42.059 -0.689 0.000 0.890 487 L HN 0.132 nan 8.230 nan 0.000 0.432 488 c N -0.817 117.609 118.600 -0.291 0.000 2.462 488 c HA -0.078 4.492 4.570 0.000 0.000 0.278 488 c C 0.284 174.360 174.090 -0.024 0.000 1.253 488 c CA 0.606 56.856 56.329 -0.132 0.000 1.713 488 c CB -1.662 40.741 42.510 -0.179 0.000 2.049 488 c HN 0.378 nan 8.230 nan 0.000 0.477 489 P HA -0.091 nan 4.420 nan 0.000 0.216 489 P C 1.700 178.993 177.300 -0.012 0.000 1.153 489 P CA 1.522 64.604 63.100 -0.030 0.000 0.858 489 P CB -0.203 31.472 31.700 -0.042 0.000 0.789 490 V N -1.460 118.446 119.914 -0.013 0.000 2.295 490 V HA -0.261 3.859 4.120 0.000 0.000 0.246 490 V C 2.363 178.480 176.094 0.038 0.000 1.049 490 V CA 1.808 64.111 62.300 0.005 0.000 1.024 490 V CB -1.426 30.397 31.823 0.000 0.000 0.648 490 V HN 0.049 nan 8.190 nan 0.000 0.447 491 Y N 1.371 121.641 120.300 -0.050 0.000 2.200 491 Y HA -0.204 4.347 4.550 0.000 0.000 0.290 491 Y C 2.316 178.224 175.900 0.013 0.000 1.137 491 Y CA 1.897 59.990 58.100 -0.012 0.000 1.163 491 Y CB -0.270 38.180 38.460 -0.017 0.000 0.988 491 Y HN 0.302 nan 8.280 nan 0.000 0.518 492 D N 0.118 120.527 120.400 0.015 0.000 2.219 492 D HA -0.107 4.533 4.640 0.000 0.000 0.205 492 D C 2.154 178.388 176.300 -0.111 0.000 0.970 492 D CA 1.184 55.150 54.000 -0.056 0.000 0.851 492 D CB -0.366 40.452 40.800 0.031 0.000 0.943 492 D HN 0.497 nan 8.370 nan 0.000 0.488 493 A N 0.763 123.531 122.820 -0.086 0.000 2.067 493 A HA 0.195 4.515 4.320 0.000 0.000 0.219 493 A C 1.411 178.932 177.584 -0.104 0.000 1.158 493 A CA 0.777 52.769 52.037 -0.076 0.000 0.661 493 A CB -0.305 18.666 19.000 -0.047 0.000 0.801 493 A HN 0.202 nan 8.150 nan 0.000 0.452 494 A N 0.162 122.884 122.820 -0.163 0.000 2.462 494 A HA 0.464 4.785 4.320 0.000 0.000 0.243 494 A C 0.759 178.247 177.584 -0.161 0.000 1.076 494 A CA 0.370 52.308 52.037 -0.164 0.000 0.773 494 A CB -0.066 18.804 19.000 -0.217 0.000 1.010 494 A HN 0.458 nan 8.150 nan 0.000 0.493 495 S N 1.571 117.198 115.700 -0.121 0.000 2.579 495 S HA 0.142 4.612 4.470 0.000 0.000 0.275 495 S C 1.579 176.091 174.600 -0.147 0.000 1.345 495 S CA 0.046 58.174 58.200 -0.121 0.000 1.031 495 S CB 0.433 63.568 63.200 -0.107 0.000 0.892 495 S HN 0.764 nan 8.310 nan 0.000 0.529 496 S N 2.389 118.002 115.700 -0.146 0.000 2.370 496 S HA -0.127 4.343 4.470 0.000 0.000 0.226 496 S C 1.996 176.411 174.600 -0.307 0.000 1.033 496 S CA 1.646 59.758 58.200 -0.146 0.000 1.011 496 S CB -0.480 62.655 63.200 -0.108 0.000 0.852 496 S HN 0.930 nan 8.310 nan 0.000 0.457 497 S N 0.234 115.656 115.700 -0.464 0.000 2.603 497 S HA 0.193 4.663 4.470 0.000 0.000 0.220 497 S C 1.172 175.447 174.600 -0.541 0.000 0.967 497 S CA 0.151 57.808 58.200 -0.905 0.000 0.920 497 S CB 0.012 62.852 63.200 -0.600 0.000 0.773 497 S HN 0.218 nan 8.310 nan 0.000 0.529 498 S N 1.067 116.638 115.700 -0.215 0.000 2.568 498 S HA 0.302 4.772 4.470 0.000 0.000 0.232 498 S C 0.392 175.052 174.600 0.100 0.000 0.975 498 S CA -0.489 57.696 58.200 -0.025 0.000 0.949 498 S CB 0.183 63.361 63.200 -0.037 0.000 0.829 498 S HN 0.590 nan 8.310 nan 0.000 0.479 499 Q N 0.000 119.920 119.800 0.200 0.000 2.315 499 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 499 Q CA 0.000 55.984 55.803 0.302 0.000 1.022 499 Q CB 0.000 28.901 28.738 0.272 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481