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 1qih_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNCQQYVDE QFPGFSGSEM WNPNREMSED CLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE CNLNSDEELI HCLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVICP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMCVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.645 174.600 0.076 0.000 1.055 4 S CA 0.000 58.229 58.200 0.048 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N 2.973 123.220 120.200 0.078 0.000 2.160 5 E HA -0.080 4.269 4.350 -0.001 0.000 0.195 5 E C 1.091 177.801 176.600 0.183 0.000 0.991 5 E CA 1.380 57.851 56.400 0.118 0.000 0.810 5 E CB -0.070 29.689 29.700 0.099 0.000 0.742 5 E HN 0.761 nan 8.360 nan 0.000 0.466 6 L N 0.775 122.072 121.223 0.124 0.000 2.591 6 L HA 0.135 4.475 4.340 -0.001 0.000 0.228 6 L C 0.340 177.356 176.870 0.243 0.000 1.133 6 L CA -0.379 54.522 54.840 0.101 0.000 0.880 6 L CB 0.248 42.279 42.059 -0.046 0.000 1.033 6 L HN 0.139 nan 8.230 nan 0.000 0.450 7 L N 0.786 122.144 121.223 0.225 0.000 2.296 7 L HA 0.545 4.885 4.340 -0.001 0.000 0.286 7 L C -0.596 176.375 176.870 0.168 0.000 1.023 7 L CA -0.270 54.699 54.840 0.216 0.000 0.812 7 L CB 1.573 43.703 42.059 0.119 0.000 1.223 7 L HN -0.313 nan 8.230 nan 0.000 0.421 8 V N 4.306 124.306 119.914 0.143 0.000 2.656 8 V HA 0.468 4.587 4.120 -0.001 0.000 0.307 8 V C -0.651 175.366 176.094 -0.129 0.000 1.051 8 V CA -0.793 61.427 62.300 -0.133 0.000 0.893 8 V CB 1.982 33.444 31.823 -0.602 0.000 0.999 8 V HN 0.774 nan 8.190 nan 0.000 0.426 9 N N 2.816 121.370 118.700 -0.244 0.000 2.546 9 N HA 0.434 5.174 4.740 -0.001 0.000 0.238 9 N C -0.055 175.132 175.510 -0.537 0.000 0.984 9 N CA -0.160 52.719 53.050 -0.284 0.000 0.935 9 N CB 1.158 39.482 38.487 -0.271 0.000 1.122 9 N HN 0.931 nan 8.380 nan 0.000 0.510 10 T N 0.007 114.353 114.554 -0.346 0.000 2.897 10 T HA 0.314 4.663 4.350 -0.001 0.000 0.278 10 T C 1.055 175.519 174.700 -0.393 0.000 0.981 10 T CA -0.466 61.412 62.100 -0.369 0.000 0.973 10 T CB 0.971 69.859 68.868 0.034 0.000 1.092 10 T HN 0.357 nan 8.240 nan 0.000 0.543 11 K N 0.139 120.361 120.400 -0.295 0.000 2.515 11 K HA 0.054 4.373 4.320 -0.001 0.000 0.196 11 K C 1.767 178.231 176.600 -0.227 0.000 1.038 11 K CA 0.549 56.700 56.287 -0.227 0.000 0.967 11 K CB -0.010 32.419 32.500 -0.118 0.000 0.780 11 K HN 0.418 nan 8.250 nan 0.000 0.483 12 S N -0.288 115.252 115.700 -0.268 0.000 2.511 12 S HA 0.205 4.675 4.470 -0.001 0.000 0.214 12 S C 0.436 174.284 174.600 -1.253 0.000 0.997 12 S CA 0.191 58.086 58.200 -0.508 0.000 0.908 12 S CB 1.129 64.197 63.200 -0.220 0.000 0.803 12 S HN 0.540 nan 8.310 nan 0.000 0.504 13 G N 1.156 109.421 108.800 -0.890 0.000 2.361 13 G HA2 0.107 4.066 3.960 -0.001 0.000 0.331 13 G HA3 0.107 4.066 3.960 -0.001 0.000 0.331 13 G C -1.719 173.072 174.900 -0.180 0.000 1.324 13 G CA -1.158 43.416 45.100 -0.877 0.000 0.984 13 G HN 0.100 nan 8.290 nan 0.000 0.586 14 K N -0.812 119.677 120.400 0.148 0.000 2.202 14 K HA 0.617 4.937 4.320 -0.001 0.000 0.264 14 K C -0.381 176.571 176.600 0.588 0.000 1.010 14 K CA -0.459 56.002 56.287 0.290 0.000 0.940 14 K CB 1.752 34.377 32.500 0.207 0.000 0.983 14 K HN 0.360 nan 8.250 nan 0.000 0.475 15 V N 3.032 123.223 119.914 0.463 0.000 2.709 15 V HA 0.303 4.422 4.120 -0.001 0.000 0.308 15 V C -1.033 175.357 176.094 0.494 0.000 1.062 15 V CA -0.902 61.739 62.300 0.568 0.000 0.901 15 V CB 1.808 34.024 31.823 0.654 0.000 1.003 15 V HN 0.719 nan 8.190 nan 0.000 0.425 16 M N 4.258 124.107 119.600 0.415 0.000 2.072 16 M HA 0.745 5.225 4.480 -0.001 0.000 0.331 16 M C 0.213 176.591 176.300 0.129 0.000 1.004 16 M CA 0.137 55.588 55.300 0.252 0.000 0.952 16 M CB 0.962 33.641 32.600 0.132 0.000 1.511 16 M HN 0.740 nan 8.290 nan 0.000 0.422 17 G N 1.666 110.392 108.800 -0.123 0.000 2.531 17 G HA2 0.631 4.590 3.960 -0.001 0.000 0.281 17 G HA3 0.631 4.590 3.960 -0.001 0.000 0.281 17 G C -0.991 173.689 174.900 -0.366 0.000 1.382 17 G CA -0.348 44.390 45.100 -0.604 0.000 1.045 17 G HN 0.666 nan 8.290 nan 0.000 0.533 18 T N -1.756 112.560 114.554 -0.397 0.000 2.903 18 T HA 0.552 4.902 4.350 -0.001 0.000 0.299 18 T C -0.695 173.891 174.700 -0.191 0.000 1.093 18 T CA -0.708 61.255 62.100 -0.228 0.000 1.002 18 T CB 1.658 70.420 68.868 -0.178 0.000 1.127 18 T HN 0.554 nan 8.240 nan 0.000 0.488 19 R N 2.030 122.460 120.500 -0.117 0.000 2.349 19 R HA 0.683 5.022 4.340 -0.001 0.000 0.299 19 R C -0.686 175.613 176.300 -0.001 0.000 1.027 19 R CA -0.542 55.522 56.100 -0.060 0.000 0.958 19 R CB 0.758 31.001 30.300 -0.096 0.000 1.047 19 R HN 0.572 nan 8.270 nan 0.000 0.468 20 V N 2.175 122.136 119.914 0.079 0.000 2.709 20 V HA 0.685 4.805 4.120 -0.001 0.000 0.308 20 V C -2.647 173.529 176.094 0.137 0.000 1.062 20 V CA -2.573 59.785 62.300 0.096 0.000 0.901 20 V CB 1.867 33.722 31.823 0.053 0.000 1.003 20 V HN 0.775 nan 8.190 nan 0.000 0.425 21 P HA 0.437 nan 4.420 nan 0.000 0.279 21 P C -0.911 176.225 177.300 -0.273 0.000 1.239 21 P CA -0.133 62.824 63.100 -0.239 0.000 0.789 21 P CB 2.019 33.619 31.700 -0.167 0.000 0.933 22 V N 5.573 125.240 119.914 -0.412 0.000 2.737 22 V HA 0.153 4.273 4.120 -0.001 0.000 0.298 22 V C 0.150 175.964 176.094 -0.467 0.000 1.163 22 V CA -0.839 61.218 62.300 -0.405 0.000 0.925 22 V CB 1.033 32.573 31.823 -0.472 0.000 1.037 22 V HN 0.508 nan 8.190 nan 0.000 0.433 23 L N 6.088 127.191 121.223 -0.201 0.000 3.833 23 L HA -0.212 4.127 4.340 -0.001 0.000 0.447 23 L C 0.973 177.734 176.870 -0.183 0.000 1.213 23 L CA 1.116 55.882 54.840 -0.125 0.000 0.801 23 L CB -1.594 40.454 42.059 -0.017 0.000 1.676 23 L HN 1.710 nan 8.230 nan 0.000 0.883 24 S N -2.981 112.596 115.700 -0.206 0.000 3.698 24 S HA -0.202 4.267 4.470 -0.001 0.000 0.338 24 S C 0.077 174.527 174.600 -0.250 0.000 1.089 24 S CA 1.219 59.304 58.200 -0.191 0.000 0.991 24 S CB -1.296 61.853 63.200 -0.085 0.000 0.909 24 S HN 0.992 nan 8.310 nan 0.000 0.485 25 S N -0.587 114.844 115.700 -0.448 0.000 2.973 25 S HA 0.849 5.319 4.470 -0.001 0.000 0.317 25 S C -1.367 172.832 174.600 -0.669 0.000 1.196 25 S CA -0.383 57.573 58.200 -0.406 0.000 0.894 25 S CB 1.149 64.165 63.200 -0.307 0.000 1.292 25 S HN 0.803 nan 8.310 nan 0.000 0.614 26 H N -0.714 118.285 119.070 -0.118 0.000 3.012 26 H HA 0.728 5.283 4.556 -0.001 0.000 0.367 26 H C -0.915 174.424 175.328 0.018 0.000 1.211 26 H CA -0.353 55.655 56.048 -0.066 0.000 1.139 26 H CB 1.513 31.262 29.762 -0.022 0.000 1.838 26 H HN 0.683 nan 8.280 nan 0.000 0.550 27 I N -2.174 118.502 120.570 0.178 0.000 3.195 27 I HA 0.694 4.864 4.170 -0.001 0.000 0.313 27 I C -0.867 175.356 176.117 0.176 0.000 1.237 27 I CA -0.726 60.697 61.300 0.205 0.000 0.963 27 I CB 2.245 40.391 38.000 0.244 0.000 1.278 27 I HN 0.408 nan 8.210 nan 0.000 0.460 28 S N 1.307 117.124 115.700 0.194 0.000 2.617 28 S HA 0.914 5.383 4.470 -0.001 0.000 0.283 28 S C -0.332 174.323 174.600 0.092 0.000 1.189 28 S CA -0.318 57.939 58.200 0.096 0.000 1.036 28 S CB 1.423 64.722 63.200 0.166 0.000 1.014 28 S HN 1.018 nan 8.310 nan 0.000 0.522 29 A N 1.794 124.509 122.820 -0.176 0.000 2.398 29 A HA 0.769 5.089 4.320 -0.001 0.000 0.301 29 A C -1.538 175.772 177.584 -0.457 0.000 1.041 29 A CA -0.632 51.244 52.037 -0.269 0.000 0.711 29 A CB 0.603 19.433 19.000 -0.284 0.000 1.240 29 A HN 0.620 nan 8.150 nan 0.000 0.420 30 F N 2.598 122.426 119.950 -0.203 0.000 2.430 30 F HA 0.502 5.029 4.527 -0.001 0.000 0.362 30 F C -0.159 175.528 175.800 -0.189 0.000 1.103 30 F CA -0.410 57.549 58.000 -0.068 0.000 1.045 30 F CB 1.422 40.485 39.000 0.106 0.000 1.276 30 F HN 0.371 nan 8.300 nan 0.000 0.444 31 L N 2.306 123.493 121.223 -0.059 0.000 2.322 31 L HA 0.698 5.038 4.340 -0.001 0.000 0.279 31 L C 0.924 177.828 176.870 0.058 0.000 1.036 31 L CA -1.007 53.788 54.840 -0.076 0.000 0.807 31 L CB 1.580 43.515 42.059 -0.208 0.000 1.226 31 L HN 0.837 nan 8.230 nan 0.000 0.433 32 G N 3.149 112.000 108.800 0.084 0.000 2.272 32 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.280 32 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.280 32 G C -0.162 174.814 174.900 0.128 0.000 1.067 32 G CA -0.328 44.817 45.100 0.075 0.000 0.902 32 G HN 0.483 nan 8.290 nan 0.000 0.500 33 I N 1.989 122.570 120.570 0.019 0.000 2.416 33 I HA 0.262 4.432 4.170 -0.001 0.000 0.288 33 I C -1.345 174.579 176.117 -0.321 0.000 1.051 33 I CA -2.190 58.955 61.300 -0.258 0.000 1.375 33 I CB 1.205 39.052 38.000 -0.255 0.000 1.407 33 I HN 0.011 nan 8.210 nan 0.000 0.516 34 P HA 0.101 nan 4.420 nan 0.000 0.279 34 P C -0.421 176.515 177.300 -0.607 0.000 1.239 34 P CA -0.076 62.592 63.100 -0.720 0.000 0.789 34 P CB 0.847 32.037 31.700 -0.850 0.000 0.933 35 F N 0.099 119.726 119.950 -0.539 0.000 2.798 35 F HA 0.757 5.284 4.527 -0.001 0.000 0.328 35 F C -0.211 175.471 175.800 -0.197 0.000 1.098 35 F CA -1.003 56.730 58.000 -0.444 0.000 1.172 35 F CB -0.002 38.726 39.000 -0.453 0.000 1.072 35 F HN 0.401 nan 8.300 nan 0.000 0.555 36 A N -0.025 122.520 122.820 -0.458 0.000 2.612 36 A HA 0.608 4.928 4.320 -0.001 0.000 0.293 36 A C -0.980 176.426 177.584 -0.296 0.000 1.075 36 A CA -0.759 51.131 52.037 -0.244 0.000 0.680 36 A CB 1.079 19.945 19.000 -0.223 0.000 1.279 36 A HN 0.049 nan 8.150 nan 0.000 0.411 37 E N 0.838 120.949 120.200 -0.147 0.000 2.383 37 E HA 0.298 4.647 4.350 -0.001 0.000 0.264 37 E C -2.346 174.155 176.600 -0.166 0.000 1.050 37 E CA -1.413 54.914 56.400 -0.122 0.000 0.896 37 E CB 0.164 29.836 29.700 -0.045 0.000 0.982 37 E HN 0.248 nan 8.360 nan 0.000 0.424 38 P HA 0.016 nan 4.420 nan 0.000 0.262 38 P C -2.191 175.045 177.300 -0.107 0.000 1.199 38 P CA -0.678 62.339 63.100 -0.140 0.000 0.763 38 P CB 0.038 31.694 31.700 -0.074 0.000 0.790 39 P HA 0.007 nan 4.420 nan 0.000 0.226 39 P C -0.297 176.940 177.300 -0.105 0.000 1.783 39 P CA 0.125 63.167 63.100 -0.097 0.000 0.980 39 P CB -0.088 31.556 31.700 -0.093 0.000 1.967 40 V N -2.410 117.450 119.914 -0.090 0.000 3.193 40 V HA 0.873 4.993 4.120 -0.001 0.000 0.320 40 V C 1.115 177.161 176.094 -0.079 0.000 1.112 40 V CA 0.052 62.297 62.300 -0.092 0.000 1.026 40 V CB 0.642 32.420 31.823 -0.075 0.000 1.128 40 V HN 0.531 nan 8.190 nan 0.000 0.452 41 G N 1.651 110.403 108.800 -0.081 0.000 2.651 41 G HA2 -0.420 3.539 3.960 -0.001 0.000 0.315 41 G HA3 -0.420 3.539 3.960 -0.001 0.000 0.315 41 G C 0.664 175.521 174.900 -0.071 0.000 1.258 41 G CA 1.258 46.317 45.100 -0.068 0.000 1.002 41 G HN 1.093 nan 8.290 nan 0.000 0.551 42 N N 0.296 118.970 118.700 -0.043 0.000 2.348 42 N HA 0.037 4.777 4.740 -0.001 0.000 0.185 42 N C 2.327 177.824 175.510 -0.022 0.000 1.019 42 N CA 1.601 54.637 53.050 -0.023 0.000 0.880 42 N CB -0.163 38.322 38.487 -0.002 0.000 0.965 42 N HN 0.531 nan 8.380 nan 0.000 0.437 43 M N -0.350 119.226 119.600 -0.040 0.000 2.558 43 M HA 0.006 4.486 4.480 -0.001 0.000 0.255 43 M C 0.594 176.852 176.300 -0.070 0.000 1.113 43 M CA 0.054 55.331 55.300 -0.038 0.000 1.097 43 M CB 0.185 32.761 32.600 -0.040 0.000 1.426 43 M HN 0.026 nan 8.290 nan 0.000 0.488 44 R N 0.638 121.050 120.500 -0.148 0.000 2.585 44 R HA -0.099 4.241 4.340 -0.001 0.000 0.275 44 R C -0.326 175.801 176.300 -0.289 0.000 1.018 44 R CA 0.662 56.559 56.100 -0.340 0.000 1.072 44 R CB 0.179 30.144 30.300 -0.558 0.000 0.953 44 R HN 0.240 nan 8.270 nan 0.000 0.419 45 F N -0.967 118.989 119.950 0.010 0.000 2.666 45 F HA -0.309 4.217 4.527 -0.001 0.000 0.458 45 F C 0.752 176.536 175.800 -0.028 0.000 0.561 45 F CA 1.361 59.342 58.000 -0.031 0.000 1.129 45 F CB -1.509 37.460 39.000 -0.052 0.000 1.751 45 F HN 0.644 nan 8.300 nan 0.000 0.275 46 R N 1.576 122.145 120.500 0.114 0.000 2.560 46 R HA 0.474 4.814 4.340 -0.001 0.000 0.270 46 R C 0.554 176.881 176.300 0.044 0.000 1.074 46 R CA -0.582 55.560 56.100 0.071 0.000 1.140 46 R CB 0.665 30.992 30.300 0.045 0.000 1.073 46 R HN 0.108 nan 8.270 nan 0.000 0.527 47 R N 2.551 123.076 120.500 0.042 0.000 2.679 47 R HA 0.087 4.427 4.340 -0.001 0.000 0.268 47 R C -1.905 174.417 176.300 0.036 0.000 1.044 47 R CA -1.029 55.094 56.100 0.040 0.000 1.105 47 R CB 0.113 30.441 30.300 0.046 0.000 0.989 47 R HN 0.517 nan 8.270 nan 0.000 0.447 48 P HA 0.058 nan 4.420 nan 0.000 0.275 48 P C -0.904 176.426 177.300 0.051 0.000 1.228 48 P CA 0.022 63.149 63.100 0.045 0.000 0.786 48 P CB 0.936 32.687 31.700 0.085 0.000 0.927 49 E N 2.186 122.406 120.200 0.033 0.000 2.207 49 E HA 0.449 4.799 4.350 -0.001 0.000 0.270 49 E C -2.329 174.303 176.600 0.053 0.000 0.927 49 E CA -2.500 53.925 56.400 0.041 0.000 0.799 49 E CB 0.435 30.150 29.700 0.026 0.000 1.172 49 E HN 0.313 nan 8.360 nan 0.000 0.404 50 P HA 0.010 nan 4.420 nan 0.000 0.269 50 P C -0.327 177.024 177.300 0.084 0.000 1.209 50 P CA -0.185 62.981 63.100 0.110 0.000 0.776 50 P CB 0.477 32.246 31.700 0.116 0.000 0.876 51 K N 2.904 123.362 120.400 0.097 0.000 2.401 51 K HA 0.092 4.411 4.320 -0.001 0.000 0.278 51 K C -0.231 176.453 176.600 0.140 0.000 1.018 51 K CA 0.247 56.584 56.287 0.083 0.000 0.981 51 K CB 0.103 32.647 32.500 0.073 0.000 0.933 51 K HN 0.212 nan 8.250 nan 0.000 0.477 52 K N 5.462 125.945 120.400 0.139 0.000 2.298 52 K HA 0.194 4.514 4.320 -0.001 0.000 0.280 52 K C -2.207 174.505 176.600 0.187 0.000 1.032 52 K CA -1.719 54.649 56.287 0.134 0.000 0.958 52 K CB 0.529 33.100 32.500 0.118 0.000 0.978 52 K HN 0.525 nan 8.250 nan 0.000 0.472 53 P HA -0.080 nan 4.420 nan 0.000 0.269 53 P C -1.340 176.012 177.300 0.087 0.000 1.211 53 P CA 0.061 63.107 63.100 -0.090 0.000 0.781 53 P CB 0.274 31.891 31.700 -0.139 0.000 0.877 54 W N 0.136 121.502 121.300 0.110 0.000 2.936 54 W HA 0.719 5.379 4.660 -0.001 0.000 0.338 54 W C -0.945 175.645 176.519 0.119 0.000 1.121 54 W CA -0.708 56.719 57.345 0.137 0.000 1.209 54 W CB 0.192 29.790 29.460 0.229 0.000 1.420 54 W HN 0.098 nan 8.180 nan 0.000 0.516 55 S N 1.245 117.135 115.700 0.317 0.000 2.681 55 S HA 0.764 5.234 4.470 -0.001 0.000 0.270 55 S C 0.572 175.370 174.600 0.330 0.000 1.209 55 S CA 0.647 58.973 58.200 0.210 0.000 0.988 55 S CB 0.736 64.016 63.200 0.134 0.000 1.006 55 S HN 1.556 nan 8.310 nan 0.000 0.558 56 G N -0.308 108.624 108.800 0.219 0.000 2.698 56 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.233 56 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.233 56 G C -0.907 174.182 174.900 0.315 0.000 1.352 56 G CA -0.363 44.864 45.100 0.212 0.000 0.879 56 G HN 0.979 nan 8.290 nan 0.000 0.567 57 V N 0.551 120.612 119.914 0.245 0.000 2.459 57 V HA 0.545 4.664 4.120 -0.001 0.000 0.295 57 V C 0.245 176.481 176.094 0.237 0.000 1.029 57 V CA -0.587 61.888 62.300 0.290 0.000 0.874 57 V CB 1.863 33.792 31.823 0.178 0.000 0.985 57 V HN 0.741 nan 8.190 nan 0.000 0.438 58 W N 5.040 126.426 121.300 0.143 0.000 2.311 58 W HA 0.262 4.922 4.660 -0.001 0.000 0.310 58 W C 0.174 176.685 176.519 -0.013 0.000 1.274 58 W CA -0.450 56.832 57.345 -0.106 0.000 1.215 58 W CB 1.012 30.245 29.460 -0.378 0.000 1.227 58 W HN 0.632 nan 8.180 nan 0.000 0.523 59 N N 4.701 123.179 118.700 -0.370 0.000 2.402 59 N HA 0.170 4.910 4.740 -0.001 0.000 0.259 59 N C -0.375 175.121 175.510 -0.023 0.000 1.167 59 N CA 0.234 53.176 53.050 -0.180 0.000 0.949 59 N CB 0.789 39.104 38.487 -0.286 0.000 1.212 59 N HN 0.386 nan 8.380 nan 0.000 0.493 60 A N 2.710 125.639 122.820 0.183 0.000 3.106 60 A HA 0.178 4.498 4.320 -0.001 0.000 0.306 60 A C 1.053 178.646 177.584 0.016 0.000 1.192 60 A CA -0.416 51.753 52.037 0.220 0.000 0.994 60 A CB -0.445 18.788 19.000 0.388 0.000 1.107 60 A HN 0.605 nan 8.150 nan 0.000 0.585 61 S N -0.971 114.695 115.700 -0.056 0.000 2.540 61 S HA 0.180 4.650 4.470 -0.001 0.000 0.218 61 S C 0.682 175.191 174.600 -0.151 0.000 0.977 61 S CA 0.552 58.677 58.200 -0.126 0.000 0.918 61 S CB -0.268 62.862 63.200 -0.116 0.000 0.806 61 S HN 0.835 nan 8.310 nan 0.000 0.496 62 T N -0.948 113.532 114.554 -0.124 0.000 2.909 62 T HA 0.633 4.982 4.350 -0.001 0.000 0.299 62 T C -0.842 173.822 174.700 -0.059 0.000 1.073 62 T CA -0.742 61.281 62.100 -0.128 0.000 0.999 62 T CB 0.705 69.520 68.868 -0.088 0.000 1.098 62 T HN 0.062 nan 8.240 nan 0.000 0.477 63 Y N 2.973 123.241 120.300 -0.053 0.000 2.683 63 Y HA 0.307 4.857 4.550 -0.001 0.000 0.340 63 Y C -1.296 174.540 175.900 -0.106 0.000 1.245 63 Y CA -1.173 56.896 58.100 -0.051 0.000 1.485 63 Y CB 0.056 38.508 38.460 -0.013 0.000 1.328 63 Y HN 0.561 nan 8.280 nan 0.000 0.603 64 P HA 0.128 nan 4.420 nan 0.000 0.282 64 P C -0.656 176.576 177.300 -0.113 0.000 1.287 64 P CA -0.537 62.444 63.100 -0.198 0.000 0.792 64 P CB 1.016 32.505 31.700 -0.352 0.000 1.163 65 N N 0.008 118.622 118.700 -0.144 0.000 2.354 65 N HA 0.138 4.877 4.740 -0.001 0.000 0.246 65 N C -0.008 175.481 175.510 -0.034 0.000 1.285 65 N CA 0.080 53.088 53.050 -0.069 0.000 0.925 65 N CB -0.098 38.357 38.487 -0.054 0.000 1.174 65 N HN 0.420 nan 8.380 nan 0.000 0.478 66 N N -0.783 117.887 118.700 -0.051 0.000 2.456 66 N HA 0.443 5.183 4.740 -0.001 0.000 0.296 66 N C 0.125 175.601 175.510 -0.056 0.000 1.102 66 N CA -0.750 52.264 53.050 -0.060 0.000 0.924 66 N CB 1.128 39.558 38.487 -0.095 0.000 1.186 66 N HN 0.633 nan 8.380 nan 0.000 0.492 67 C N 1.118 120.386 119.300 -0.052 0.000 2.703 67 C HA 0.105 4.564 4.460 -0.001 0.000 0.411 67 C C 0.911 175.839 174.990 -0.103 0.000 1.290 67 C CA -0.073 58.899 59.018 -0.077 0.000 2.054 67 C CB -0.190 27.528 27.740 -0.036 0.000 2.732 67 C HN 0.511 nan 8.230 nan 0.000 0.650 68 Q N 2.642 122.309 119.800 -0.220 0.000 2.274 68 Q HA 0.326 4.666 4.340 -0.001 0.000 0.280 68 Q C 0.026 176.026 176.000 0.000 0.000 1.047 68 Q CA 1.134 56.803 55.803 -0.224 0.000 0.907 68 Q CB 0.604 28.962 28.738 -0.632 0.000 1.171 68 Q HN 0.937 nan 8.270 nan 0.000 0.381 69 Q N 1.390 121.258 119.800 0.113 0.000 2.630 69 Q HA 0.346 4.686 4.340 -0.001 0.000 0.295 69 Q C -1.309 174.875 176.000 0.307 0.000 0.944 69 Q CA -1.032 54.925 55.803 0.256 0.000 0.766 69 Q CB 0.837 29.690 28.738 0.192 0.000 1.471 69 Q HN 0.457 nan 8.270 nan 0.000 0.416 70 Y N 0.923 121.418 120.300 0.324 0.000 2.425 70 Y HA 0.426 4.976 4.550 -0.001 0.000 0.331 70 Y C -1.081 175.003 175.900 0.307 0.000 1.157 70 Y CA 0.091 58.408 58.100 0.361 0.000 1.372 70 Y CB 1.023 39.802 38.460 0.533 0.000 1.253 70 Y HN 0.436 nan 8.280 nan 0.000 0.536 71 V N 6.527 126.135 119.914 -0.509 0.000 2.409 71 V HA 0.142 4.261 4.120 -0.001 0.000 0.291 71 V C -0.685 175.122 176.094 -0.478 0.000 1.020 71 V CA -1.096 61.018 62.300 -0.309 0.000 0.848 71 V CB 1.452 33.191 31.823 -0.140 0.000 0.990 71 V HN 0.788 nan 8.190 nan 0.000 0.430 72 D N 3.613 123.955 120.400 -0.097 0.000 2.401 72 D HA 0.115 4.755 4.640 -0.001 0.000 0.254 72 D C 0.516 176.878 176.300 0.103 0.000 1.192 72 D CA 0.469 54.533 54.000 0.107 0.000 0.885 72 D CB 0.993 42.010 40.800 0.361 0.000 1.147 72 D HN 0.686 nan 8.370 nan 0.000 0.478 73 E N 2.120 122.360 120.200 0.067 0.000 2.758 73 E HA -0.035 4.315 4.350 -0.001 0.000 0.215 73 E C 0.777 177.368 176.600 -0.015 0.000 0.985 73 E CA -0.113 56.312 56.400 0.042 0.000 1.102 73 E CB 0.576 30.272 29.700 -0.005 0.000 1.042 73 E HN 0.391 nan 8.360 nan 0.000 0.480 74 Q N -0.052 119.715 119.800 -0.056 0.000 2.297 74 Q HA -0.085 4.255 4.340 -0.001 0.000 0.208 74 Q C -0.344 175.176 176.000 -0.800 0.000 0.981 74 Q CA 1.342 56.856 55.803 -0.481 0.000 0.876 74 Q CB 0.147 28.446 28.738 -0.731 0.000 0.921 74 Q HN 0.121 nan 8.270 nan 0.000 0.446 75 F N -0.036 119.963 119.950 0.081 0.000 2.708 75 F HA 0.399 4.926 4.527 -0.001 0.000 0.344 75 F C -2.285 173.580 175.800 0.109 0.000 1.447 75 F CA -2.902 55.126 58.000 0.047 0.000 1.140 75 F CB 1.082 40.100 39.000 0.030 0.000 1.657 75 F HN -0.151 nan 8.300 nan 0.000 0.598 76 P HA 0.117 nan 4.420 nan 0.000 0.259 76 P C 1.056 178.444 177.300 0.147 0.000 1.163 76 P CA 1.716 64.896 63.100 0.133 0.000 0.760 76 P CB 0.619 32.361 31.700 0.070 0.000 0.762 77 G N 3.326 112.200 108.800 0.124 0.000 2.417 77 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.233 77 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.233 77 G C 0.209 175.179 174.900 0.117 0.000 1.103 77 G CA -0.277 44.878 45.100 0.092 0.000 0.647 77 G HN 0.554 nan 8.290 nan 0.000 0.512 78 F N 3.906 123.850 119.950 -0.009 0.000 2.539 78 F HA 0.355 4.881 4.527 -0.001 0.000 0.393 78 F C 1.900 177.636 175.800 -0.107 0.000 1.032 78 F CA 0.439 58.378 58.000 -0.102 0.000 1.120 78 F CB 0.616 39.537 39.000 -0.132 0.000 1.014 78 F HN 0.378 nan 8.300 nan 0.000 0.546 79 S N 3.536 118.914 115.700 -0.536 0.000 2.383 79 S HA -0.157 4.313 4.470 -0.001 0.000 0.229 79 S C 2.378 176.611 174.600 -0.612 0.000 1.030 79 S CA 0.885 58.797 58.200 -0.481 0.000 1.002 79 S CB -1.340 61.604 63.200 -0.428 0.000 0.829 79 S HN 0.808 nan 8.310 nan 0.000 0.467 80 G N 1.948 109.931 108.800 -1.361 0.000 2.505 80 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.220 80 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.220 80 G C 1.714 176.759 174.900 0.241 0.000 1.145 80 G CA 1.673 46.146 45.100 -1.046 0.000 0.761 80 G HN 0.849 nan 8.290 nan 0.000 0.571 81 S N -0.803 115.111 115.700 0.356 0.000 2.497 81 S HA 0.194 4.663 4.470 -0.001 0.000 0.221 81 S C 1.767 176.661 174.600 0.490 0.000 1.037 81 S CA 0.693 59.416 58.200 0.872 0.000 0.920 81 S CB 0.203 64.083 63.200 1.134 0.000 0.800 81 S HN 0.447 nan 8.310 nan 0.000 0.505 82 E N 1.753 122.079 120.200 0.210 0.000 2.358 82 E HA 0.040 4.389 4.350 -0.001 0.000 0.195 82 E C 1.897 178.464 176.600 -0.056 0.000 1.010 82 E CA 0.956 57.411 56.400 0.091 0.000 0.856 82 E CB -0.335 29.389 29.700 0.040 0.000 0.795 82 E HN 0.836 nan 8.360 nan 0.000 0.504 83 M N -1.886 117.588 119.600 -0.210 0.000 2.632 83 M HA -0.026 4.454 4.480 -0.001 0.000 0.256 83 M C 0.829 176.757 176.300 -0.620 0.000 1.080 83 M CA 1.242 56.259 55.300 -0.472 0.000 1.084 83 M CB -0.224 31.974 32.600 -0.670 0.000 1.439 83 M HN 0.034 nan 8.290 nan 0.000 0.509 84 W N 0.623 121.877 121.300 -0.076 0.000 3.013 84 W HA 0.292 4.951 4.660 -0.001 0.000 0.280 84 W C 0.521 176.976 176.519 -0.107 0.000 1.249 84 W CA -0.893 56.376 57.345 -0.127 0.000 1.577 84 W CB 0.005 29.411 29.460 -0.091 0.000 1.057 84 W HN 0.087 nan 8.180 nan 0.000 0.613 85 N N 1.621 120.386 118.700 0.108 0.000 2.399 85 N HA 0.110 4.850 4.740 -0.001 0.000 0.250 85 N C -2.472 173.019 175.510 -0.032 0.000 1.272 85 N CA -1.108 51.973 53.050 0.051 0.000 0.928 85 N CB -0.289 38.228 38.487 0.050 0.000 1.158 85 N HN -0.341 nan 8.380 nan 0.000 0.463 86 P HA 0.086 nan 4.420 nan 0.000 0.267 86 P C 0.132 177.385 177.300 -0.080 0.000 1.205 86 P CA -0.088 62.963 63.100 -0.081 0.000 0.765 86 P CB 0.275 31.936 31.700 -0.064 0.000 0.828 87 N N 2.651 121.288 118.700 -0.105 0.000 2.238 87 N HA 0.084 4.823 4.740 -0.001 0.000 0.222 87 N C 0.063 175.533 175.510 -0.068 0.000 1.133 87 N CA -0.051 52.946 53.050 -0.088 0.000 0.854 87 N CB 0.288 38.711 38.487 -0.108 0.000 1.041 87 N HN 0.178 nan 8.380 nan 0.000 0.510 88 R N -0.190 120.268 120.500 -0.070 0.000 2.855 88 R HA 0.314 4.654 4.340 -0.001 0.000 0.266 88 R C -0.760 175.510 176.300 -0.050 0.000 1.034 88 R CA -0.759 55.309 56.100 -0.053 0.000 0.944 88 R CB 0.874 31.138 30.300 -0.060 0.000 1.219 88 R HN 0.087 nan 8.270 nan 0.000 0.474 89 E N 1.219 121.393 120.200 -0.045 0.000 2.452 89 E HA 0.020 4.370 4.350 -0.001 0.000 0.261 89 E C -0.170 176.400 176.600 -0.050 0.000 0.987 89 E CA 0.533 56.907 56.400 -0.043 0.000 0.926 89 E CB 0.495 30.169 29.700 -0.043 0.000 0.934 89 E HN 0.233 nan 8.360 nan 0.000 0.452 90 M N 2.141 121.711 119.600 -0.050 0.000 2.288 90 M HA 0.291 4.770 4.480 -0.001 0.000 0.334 90 M C -0.144 176.112 176.300 -0.074 0.000 1.150 90 M CA 0.019 55.281 55.300 -0.062 0.000 1.118 90 M CB 1.415 33.981 32.600 -0.056 0.000 1.501 90 M HN 0.437 nan 8.290 nan 0.000 0.462 91 S N 0.186 115.829 115.700 -0.096 0.000 2.565 91 S HA 0.204 4.674 4.470 -0.001 0.000 0.274 91 S C -0.053 174.455 174.600 -0.154 0.000 1.144 91 S CA -0.701 57.436 58.200 -0.106 0.000 0.849 91 S CB 1.434 64.599 63.200 -0.058 0.000 1.103 91 S HN 0.836 nan 8.310 nan 0.000 0.455 92 E N 0.824 120.908 120.200 -0.192 0.000 2.274 92 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 92 E C -0.307 176.209 176.600 -0.140 0.000 0.996 92 E CA 0.537 56.792 56.400 -0.242 0.000 0.840 92 E CB 0.092 29.637 29.700 -0.257 0.000 0.772 92 E HN 0.539 nan 8.360 nan 0.000 0.491 93 D N -0.467 119.890 120.400 -0.072 0.000 2.483 93 D HA 0.055 4.694 4.640 -0.001 0.000 0.220 93 D C 0.087 176.452 176.300 0.108 0.000 1.173 93 D CA -0.072 53.925 54.000 -0.005 0.000 0.964 93 D CB 0.093 40.921 40.800 0.047 0.000 1.046 93 D HN 0.252 nan 8.370 nan 0.000 0.517 94 C N 4.317 123.630 119.300 0.021 0.000 3.642 94 C HA 0.327 4.786 4.460 -0.001 0.000 0.305 94 C C 1.018 176.019 174.990 0.018 0.000 1.492 94 C CA -0.396 58.687 59.018 0.108 0.000 1.809 94 C CB -0.500 27.251 27.740 0.018 0.000 2.639 94 C HN 0.520 nan 8.230 nan 0.000 0.672 95 L N 2.227 123.206 121.223 -0.406 0.000 2.415 95 L HA 0.361 4.701 4.340 -0.001 0.000 0.269 95 L C -0.936 175.138 176.870 -1.327 0.000 1.244 95 L CA 0.395 54.756 54.840 -0.798 0.000 1.113 95 L CB -1.135 40.334 42.059 -0.983 0.000 1.352 95 L HN 0.465 nan 8.230 nan 0.000 0.433 96 Y N 1.956 122.064 120.300 -0.320 0.000 2.605 96 Y HA 0.682 5.232 4.550 -0.001 0.000 0.343 96 Y C -0.100 175.898 175.900 0.162 0.000 1.036 96 Y CA -1.325 56.672 58.100 -0.171 0.000 1.065 96 Y CB 1.855 40.250 38.460 -0.108 0.000 1.288 96 Y HN 0.195 nan 8.280 nan 0.000 0.481 97 L N -0.263 121.117 121.223 0.262 0.000 2.327 97 L HA 0.769 5.109 4.340 -0.001 0.000 0.258 97 L C -1.336 175.592 176.870 0.097 0.000 1.024 97 L CA -1.161 53.800 54.840 0.202 0.000 0.825 97 L CB 1.846 43.974 42.059 0.115 0.000 1.386 97 L HN 0.473 nan 8.230 nan 0.000 0.417 98 N N 1.657 120.412 118.700 0.091 0.000 2.284 98 N HA 0.702 5.442 4.740 -0.001 0.000 0.300 98 N C -1.322 174.094 175.510 -0.157 0.000 1.047 98 N CA -0.192 52.807 53.050 -0.084 0.000 0.821 98 N CB 2.677 41.104 38.487 -0.100 0.000 1.337 98 N HN 0.653 nan 8.380 nan 0.000 0.482 99 I N 0.669 121.067 120.570 -0.286 0.000 2.466 99 I HA 0.380 4.549 4.170 -0.001 0.000 0.289 99 I C -0.746 175.299 176.117 -0.120 0.000 1.026 99 I CA -0.709 60.515 61.300 -0.127 0.000 1.078 99 I CB 2.176 40.036 38.000 -0.234 0.000 1.249 99 I HN 0.245 nan 8.210 nan 0.000 0.429 100 W N 6.125 127.558 121.300 0.222 0.000 2.361 100 W HA 0.566 5.225 4.660 -0.001 0.000 0.314 100 W C -0.971 175.689 176.519 0.234 0.000 1.041 100 W CA -0.614 56.864 57.345 0.221 0.000 1.241 100 W CB 2.043 31.609 29.460 0.176 0.000 1.279 100 W HN 0.090 nan 8.180 nan 0.000 0.436 101 V N 5.207 125.390 119.914 0.448 0.000 2.495 101 V HA 0.321 4.440 4.120 -0.001 0.000 0.298 101 V C -1.977 174.312 176.094 0.326 0.000 1.031 101 V CA -2.411 60.118 62.300 0.381 0.000 0.871 101 V CB 1.908 34.002 31.823 0.450 0.000 0.988 101 V HN 0.246 nan 8.190 nan 0.000 0.432 102 P HA 0.147 nan 4.420 nan 0.000 0.270 102 P C -0.615 176.814 177.300 0.215 0.000 1.227 102 P CA 0.105 63.344 63.100 0.232 0.000 0.788 102 P CB 0.522 32.325 31.700 0.172 0.000 0.926 103 S N 0.650 116.472 115.700 0.204 0.000 2.614 103 S HA 0.534 5.004 4.470 -0.001 0.000 0.288 103 S C -2.576 172.113 174.600 0.147 0.000 1.137 103 S CA -1.418 56.886 58.200 0.173 0.000 0.992 103 S CB 0.197 63.502 63.200 0.174 0.000 1.026 103 S HN 0.260 nan 8.310 nan 0.000 0.486 104 P HA 0.186 nan 4.420 nan 0.000 0.272 104 P C -0.477 176.895 177.300 0.120 0.000 1.223 104 P CA -0.571 62.594 63.100 0.108 0.000 0.784 104 P CB 0.406 32.156 31.700 0.083 0.000 0.923 105 R N 2.437 123.015 120.500 0.129 0.000 2.504 105 R HA 0.081 4.420 4.340 -0.001 0.000 0.291 105 R C -1.901 174.464 176.300 0.108 0.000 0.974 105 R CA -0.823 55.362 56.100 0.142 0.000 1.077 105 R CB -0.436 29.950 30.300 0.145 0.000 0.926 105 R HN 0.369 nan 8.270 nan 0.000 0.407 106 P HA 0.071 nan 4.420 nan 0.000 0.273 106 P C -0.220 177.117 177.300 0.061 0.000 1.250 106 P CA -0.386 62.761 63.100 0.079 0.000 0.793 106 P CB 0.694 32.444 31.700 0.083 0.000 1.011 107 K N -0.604 119.819 120.400 0.039 0.000 2.190 107 K HA 0.152 4.471 4.320 -0.001 0.000 0.202 107 K C 0.597 177.199 176.600 0.004 0.000 1.045 107 K CA 0.949 57.248 56.287 0.020 0.000 0.976 107 K CB -0.265 32.243 32.500 0.014 0.000 0.849 107 K HN 0.340 nan 8.250 nan 0.000 0.468 108 S N 1.096 116.798 115.700 0.004 0.000 2.680 108 S HA 0.157 4.627 4.470 -0.001 0.000 0.140 108 S C -0.963 173.636 174.600 -0.001 0.000 1.357 108 S CA -0.353 57.840 58.200 -0.012 0.000 1.201 108 S CB 0.283 63.465 63.200 -0.029 0.000 1.547 108 S HN 0.138 nan 8.310 nan 0.000 0.411 109 T N 1.822 116.386 114.554 0.017 0.000 2.936 109 T HA 0.562 4.911 4.350 -0.001 0.000 0.282 109 T C 0.199 174.910 174.700 0.018 0.000 1.003 109 T CA -0.033 62.079 62.100 0.021 0.000 1.005 109 T CB 1.060 69.952 68.868 0.040 0.000 1.097 109 T HN 0.455 nan 8.240 nan 0.000 0.532 110 T N 2.282 116.843 114.554 0.011 0.000 2.934 110 T HA 0.313 4.663 4.350 -0.001 0.000 0.306 110 T C -0.228 174.492 174.700 0.033 0.000 1.042 110 T CA -0.258 61.845 62.100 0.005 0.000 1.145 110 T CB 0.243 69.101 68.868 -0.016 0.000 0.982 110 T HN 0.403 nan 8.240 nan 0.000 0.544 111 V N 4.714 124.651 119.914 0.039 0.000 2.581 111 V HA 0.536 4.655 4.120 -0.001 0.000 0.303 111 V C -0.011 176.137 176.094 0.092 0.000 1.041 111 V CA -0.818 61.529 62.300 0.078 0.000 0.907 111 V CB 1.759 33.630 31.823 0.080 0.000 0.994 111 V HN 0.837 nan 8.190 nan 0.000 0.442 112 M N 4.103 123.791 119.600 0.147 0.000 2.151 112 M HA 0.508 4.987 4.480 -0.001 0.000 0.290 112 M C -1.380 175.155 176.300 0.392 0.000 0.965 112 M CA -0.555 54.864 55.300 0.199 0.000 0.930 112 M CB 2.181 34.816 32.600 0.059 0.000 1.560 112 M HN 0.356 nan 8.290 nan 0.000 0.438 113 V N 3.444 123.606 119.914 0.414 0.000 2.347 113 V HA 0.339 4.459 4.120 -0.001 0.000 0.280 113 V C -0.695 175.661 176.094 0.437 0.000 1.021 113 V CA -0.555 61.966 62.300 0.369 0.000 0.847 113 V CB 1.331 33.255 31.823 0.168 0.000 0.990 113 V HN 0.856 nan 8.190 nan 0.000 0.444 114 W N 7.210 128.597 121.300 0.145 0.000 2.351 114 W HA 0.638 5.298 4.660 -0.001 0.000 0.311 114 W C -1.377 175.031 176.519 -0.184 0.000 1.168 114 W CA -0.833 56.339 57.345 -0.289 0.000 1.200 114 W CB 1.237 30.538 29.460 -0.265 0.000 1.221 114 W HN 0.429 nan 8.180 nan 0.000 0.519 115 I N 9.088 129.019 120.570 -1.064 0.000 2.382 115 I HA 0.077 4.247 4.170 -0.001 0.000 0.285 115 I C -0.248 175.051 176.117 -1.363 0.000 1.007 115 I CA -1.147 59.599 61.300 -0.923 0.000 1.142 115 I CB 0.708 38.360 38.000 -0.581 0.000 1.289 115 I HN 0.317 nan 8.210 nan 0.000 0.453 116 Y N 4.618 124.382 120.300 -0.895 0.000 2.457 116 Y HA 0.638 5.188 4.550 -0.001 0.000 0.341 116 Y C 0.725 176.432 175.900 -0.321 0.000 1.240 116 Y CA -0.784 56.923 58.100 -0.655 0.000 1.437 116 Y CB -0.046 38.278 38.460 -0.227 0.000 1.328 116 Y HN 0.527 nan 8.280 nan 0.000 0.588 117 G N -0.807 107.999 108.800 0.009 0.000 2.568 117 G HA2 0.506 4.465 3.960 -0.001 0.000 0.293 117 G HA3 0.506 4.465 3.960 -0.001 0.000 0.293 117 G C 0.238 175.098 174.900 -0.067 0.000 1.347 117 G CA -0.932 44.112 45.100 -0.093 0.000 1.039 117 G HN 1.683 nan 8.290 nan 0.000 0.523 118 G N -2.839 105.770 108.800 -0.317 0.000 2.598 118 G HA2 0.422 4.381 3.960 -0.001 0.000 0.221 118 G HA3 0.422 4.381 3.960 -0.001 0.000 0.221 118 G C 0.979 175.367 174.900 -0.854 0.000 1.019 118 G CA 0.758 45.546 45.100 -0.520 0.000 0.912 118 G HN 2.291 nan 8.290 nan 0.000 0.574 119 G N -0.289 108.049 108.800 -0.769 0.000 2.203 119 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.263 119 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.263 119 G C 0.889 175.581 174.900 -0.346 0.000 1.012 119 G CA 0.661 45.201 45.100 -0.933 0.000 0.749 119 G HN 1.680 nan 8.290 nan 0.000 0.512 120 F N -3.259 116.615 119.950 -0.127 0.000 2.871 120 F HA -0.304 4.222 4.527 -0.001 0.000 0.326 120 F C 1.410 177.307 175.800 0.162 0.000 0.675 120 F CA 2.133 60.157 58.000 0.039 0.000 1.188 120 F CB -2.091 36.772 39.000 -0.227 0.000 1.567 120 F HN 0.977 nan 8.300 nan 0.000 0.325 121 Y N -1.343 119.031 120.300 0.124 0.000 2.527 121 Y HA 0.665 5.214 4.550 -0.001 0.000 0.247 121 Y C 0.514 176.520 175.900 0.177 0.000 1.138 121 Y CA 0.176 58.368 58.100 0.154 0.000 1.228 121 Y CB -0.015 38.451 38.460 0.010 0.000 1.252 121 Y HN 0.081 nan 8.280 nan 0.000 0.531 122 S N -0.848 114.683 115.700 -0.282 0.000 2.727 122 S HA 0.886 5.355 4.470 -0.001 0.000 0.278 122 S C -0.213 174.272 174.600 -0.191 0.000 1.186 122 S CA -0.557 57.527 58.200 -0.194 0.000 0.836 122 S CB 1.435 64.442 63.200 -0.320 0.000 1.186 122 S HN 1.335 nan 8.310 nan 0.000 0.499 123 G N -0.394 108.260 108.800 -0.242 0.000 2.465 123 G HA2 0.438 4.397 3.960 -0.001 0.000 0.681 123 G HA3 0.438 4.397 3.960 -0.001 0.000 0.681 123 G C -1.039 173.277 174.900 -0.973 0.000 1.340 123 G CA -0.302 44.490 45.100 -0.514 0.000 0.884 123 G HN 1.469 nan 8.290 nan 0.000 0.650 124 S N -1.042 113.988 115.700 -1.117 0.000 2.550 124 S HA 0.698 5.168 4.470 -0.001 0.000 0.270 124 S C 0.872 175.241 174.600 -0.386 0.000 1.145 124 S CA 0.091 57.852 58.200 -0.733 0.000 0.852 124 S CB 1.759 64.769 63.200 -0.317 0.000 1.119 124 S HN 1.988 nan 8.310 nan 0.000 0.465 125 S N -0.272 115.401 115.700 -0.045 0.000 2.528 125 S HA -0.038 4.431 4.470 -0.001 0.000 0.219 125 S C 1.356 176.033 174.600 0.128 0.000 0.985 125 S CA 0.814 59.185 58.200 0.285 0.000 0.914 125 S CB -0.611 62.812 63.200 0.372 0.000 0.776 125 S HN 0.859 nan 8.310 nan 0.000 0.526 126 T N 0.343 114.784 114.554 -0.188 0.000 3.144 126 T HA 0.404 4.754 4.350 -0.001 0.000 0.249 126 T C 0.515 174.967 174.700 -0.414 0.000 1.089 126 T CA -0.521 61.189 62.100 -0.649 0.000 0.989 126 T CB -0.616 67.720 68.868 -0.886 0.000 0.992 126 T HN 0.311 nan 8.240 nan 0.000 0.540 127 L N 1.818 122.896 121.223 -0.241 0.000 2.483 127 L HA 0.183 4.522 4.340 -0.001 0.000 0.275 127 L C 1.371 178.029 176.870 -0.354 0.000 1.220 127 L CA -0.578 54.041 54.840 -0.369 0.000 0.833 127 L CB 0.351 42.030 42.059 -0.634 0.000 1.102 127 L HN 0.055 nan 8.230 nan 0.000 0.490 128 D N 0.951 121.150 120.400 -0.336 0.000 2.149 128 D HA -0.136 4.504 4.640 -0.001 0.000 0.198 128 D C 1.990 178.084 176.300 -0.344 0.000 0.990 128 D CA 1.320 55.174 54.000 -0.243 0.000 0.839 128 D CB -0.073 40.601 40.800 -0.211 0.000 0.948 128 D HN 0.511 nan 8.370 nan 0.000 0.460 129 V N -1.054 118.507 119.914 -0.587 0.000 3.078 129 V HA -0.169 3.951 4.120 -0.001 0.000 0.265 129 V C 1.067 176.661 176.094 -0.833 0.000 1.122 129 V CA 1.049 62.953 62.300 -0.661 0.000 1.141 129 V CB -1.164 30.162 31.823 -0.828 0.000 0.735 129 V HN 0.073 nan 8.190 nan 0.000 0.498 130 Y N 0.076 119.930 120.300 -0.743 0.000 2.658 130 Y HA 0.442 4.992 4.550 -0.001 0.000 0.276 130 Y C 0.976 176.466 175.900 -0.682 0.000 1.167 130 Y CA -1.843 55.554 58.100 -1.172 0.000 1.230 130 Y CB -0.870 37.245 38.460 -0.575 0.000 1.144 130 Y HN 0.234 nan 8.280 nan 0.000 0.529 131 N N 1.336 119.850 118.700 -0.310 0.000 2.406 131 N HA 0.007 4.746 4.740 -0.001 0.000 0.265 131 N C 1.356 176.543 175.510 -0.539 0.000 1.203 131 N CA 0.491 53.353 53.050 -0.313 0.000 0.945 131 N CB 1.220 39.624 38.487 -0.138 0.000 1.165 131 N HN 0.516 nan 8.380 nan 0.000 0.485 132 G N 3.388 111.336 108.800 -1.421 0.000 2.679 132 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.212 132 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.212 132 G C 1.473 175.832 174.900 -0.903 0.000 1.137 132 G CA 0.615 45.126 45.100 -0.982 0.000 0.787 132 G HN 0.746 nan 8.290 nan 0.000 0.534 133 K N -0.434 119.195 120.400 -1.285 0.000 2.063 133 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 133 K C 1.878 178.282 176.600 -0.326 0.000 1.048 133 K CA 1.352 57.245 56.287 -0.657 0.000 0.928 133 K CB -0.584 31.577 32.500 -0.565 0.000 0.713 133 K HN 0.310 nan 8.250 nan 0.000 0.442 134 Y N 1.106 121.333 120.300 -0.123 0.000 2.145 134 Y HA -0.148 4.402 4.550 -0.001 0.000 0.286 134 Y C 2.371 178.285 175.900 0.023 0.000 1.145 134 Y CA 0.919 59.010 58.100 -0.016 0.000 1.148 134 Y CB -0.649 37.779 38.460 -0.053 0.000 0.981 134 Y HN 0.053 nan 8.280 nan 0.000 0.507 135 L N 0.113 121.397 121.223 0.103 0.000 2.056 135 L HA -0.039 4.300 4.340 -0.001 0.000 0.207 135 L C 2.353 179.252 176.870 0.049 0.000 1.078 135 L CA 1.875 56.728 54.840 0.021 0.000 0.749 135 L CB -1.182 40.812 42.059 -0.107 0.000 0.901 135 L HN 0.138 nan 8.230 nan 0.000 0.433 136 A N -1.456 121.409 122.820 0.076 0.000 1.902 136 A HA -0.279 4.041 4.320 -0.001 0.000 0.217 136 A C 2.280 179.960 177.584 0.160 0.000 1.181 136 A CA 1.869 53.992 52.037 0.143 0.000 0.623 136 A CB -1.096 18.045 19.000 0.235 0.000 0.818 136 A HN 0.613 nan 8.150 nan 0.000 0.443 137 Y N 1.112 121.440 120.300 0.046 0.000 2.109 137 Y HA -0.149 4.401 4.550 -0.001 0.000 0.285 137 Y C 2.683 178.611 175.900 0.048 0.000 1.131 137 Y CA 2.336 60.465 58.100 0.049 0.000 1.121 137 Y CB -0.850 37.625 38.460 0.025 0.000 0.987 137 Y HN 0.287 nan 8.280 nan 0.000 0.495 138 T N 0.550 115.072 114.554 -0.053 0.000 2.746 138 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 138 T C 1.331 175.962 174.700 -0.115 0.000 1.039 138 T CA 1.790 63.800 62.100 -0.150 0.000 1.142 138 T CB -0.133 68.739 68.868 0.007 0.000 0.866 138 T HN 0.343 nan 8.240 nan 0.000 0.444 139 E N 0.579 120.757 120.200 -0.036 0.000 2.481 139 E HA 0.096 4.446 4.350 -0.001 0.000 0.198 139 E C 0.004 176.603 176.600 -0.001 0.000 1.027 139 E CA 0.048 56.449 56.400 0.000 0.000 0.900 139 E CB 0.123 29.835 29.700 0.021 0.000 0.993 139 E HN 0.621 nan 8.360 nan 0.000 0.482 140 E N 0.134 120.327 120.200 -0.011 0.000 2.246 140 E HA -0.157 4.193 4.350 -0.001 0.000 0.211 140 E C -0.216 176.413 176.600 0.049 0.000 1.278 140 E CA 0.431 56.842 56.400 0.019 0.000 0.694 140 E CB -2.060 27.640 29.700 0.000 0.000 1.166 140 E HN 0.141 nan 8.360 nan 0.000 0.370 141 V N -3.622 116.335 119.914 0.073 0.000 3.040 141 V HA 0.695 4.814 4.120 -0.001 0.000 0.312 141 V C 0.253 176.430 176.094 0.137 0.000 1.115 141 V CA -1.152 61.197 62.300 0.082 0.000 0.998 141 V CB 2.367 34.222 31.823 0.053 0.000 1.042 141 V HN -0.003 nan 8.190 nan 0.000 0.433 142 V N 4.124 124.124 119.914 0.144 0.000 2.432 142 V HA 0.332 4.452 4.120 -0.001 0.000 0.271 142 V C -0.031 176.197 176.094 0.223 0.000 1.046 142 V CA -0.311 62.105 62.300 0.193 0.000 0.945 142 V CB 1.082 33.002 31.823 0.161 0.000 0.992 142 V HN 0.745 nan 8.190 nan 0.000 0.471 143 L N 7.293 128.709 121.223 0.321 0.000 2.296 143 L HA 0.619 4.958 4.340 -0.001 0.000 0.286 143 L C -0.497 176.668 176.870 0.492 0.000 1.023 143 L CA -0.006 55.077 54.840 0.405 0.000 0.812 143 L CB 1.794 44.108 42.059 0.425 0.000 1.223 143 L HN 0.405 nan 8.230 nan 0.000 0.421 144 V N 3.718 123.891 119.914 0.432 0.000 2.540 144 V HA 0.567 4.686 4.120 -0.001 0.000 0.302 144 V C -0.061 176.305 176.094 0.453 0.000 1.035 144 V CA -0.609 61.912 62.300 0.369 0.000 0.873 144 V CB 2.110 34.068 31.823 0.225 0.000 0.992 144 V HN 0.895 nan 8.190 nan 0.000 0.428 145 S N 5.147 121.123 115.700 0.459 0.000 2.605 145 S HA 0.824 5.294 4.470 -0.001 0.000 0.308 145 S C -0.801 173.997 174.600 0.330 0.000 1.113 145 S CA -0.763 57.730 58.200 0.488 0.000 1.049 145 S CB 1.487 65.098 63.200 0.685 0.000 1.001 145 S HN 0.663 nan 8.310 nan 0.000 0.480 146 L N 1.132 122.490 121.223 0.226 0.000 2.544 146 L HA 0.998 5.337 4.340 -0.001 0.000 0.256 146 L C 0.149 177.194 176.870 0.290 0.000 1.097 146 L CA -0.707 54.246 54.840 0.189 0.000 0.812 146 L CB 0.158 42.206 42.059 -0.018 0.000 1.440 146 L HN 0.859 nan 8.230 nan 0.000 0.496 147 S N -1.712 114.216 115.700 0.379 0.000 2.618 147 S HA 0.896 5.366 4.470 -0.001 0.000 0.277 147 S C -1.247 173.614 174.600 0.434 0.000 1.138 147 S CA -0.553 57.896 58.200 0.414 0.000 0.844 147 S CB 1.536 64.978 63.200 0.404 0.000 1.127 147 S HN 1.147 nan 8.310 nan 0.000 0.474 148 Y N -1.767 118.666 120.300 0.221 0.000 2.624 148 Y HA 0.698 5.247 4.550 -0.001 0.000 0.334 148 Y C -0.832 175.187 175.900 0.199 0.000 1.155 148 Y CA -1.435 56.769 58.100 0.172 0.000 1.046 148 Y CB 0.679 39.186 38.460 0.077 0.000 1.316 148 Y HN 0.751 nan 8.280 nan 0.000 0.457 149 R N 1.713 122.351 120.500 0.230 0.000 2.543 149 R HA 0.562 4.901 4.340 -0.001 0.000 0.277 149 R C -0.204 176.267 176.300 0.284 0.000 1.074 149 R CA -0.249 55.945 56.100 0.156 0.000 1.076 149 R CB 1.072 31.433 30.300 0.100 0.000 0.993 149 R HN 0.702 nan 8.270 nan 0.000 0.459 150 V N -0.414 119.694 119.914 0.323 0.000 3.181 150 V HA 0.896 5.016 4.120 -0.001 0.000 0.314 150 V C 0.684 177.114 176.094 0.558 0.000 1.173 150 V CA -0.108 62.513 62.300 0.536 0.000 1.052 150 V CB 1.144 33.186 31.823 0.365 0.000 1.123 150 V HN 0.967 nan 8.190 nan 0.000 0.454 151 G N 0.401 109.567 108.800 0.610 0.000 2.601 151 G HA2 0.023 3.983 3.960 -0.001 0.000 0.261 151 G HA3 0.023 3.983 3.960 -0.001 0.000 0.261 151 G C 1.015 176.106 174.900 0.318 0.000 1.289 151 G CA 0.979 46.371 45.100 0.487 0.000 0.920 151 G HN 2.264 nan 8.290 nan 0.000 0.571 152 A N -1.398 121.314 122.820 -0.179 0.000 1.978 152 A HA 0.206 4.525 4.320 -0.001 0.000 0.220 152 A C 2.208 179.680 177.584 -0.186 0.000 1.170 152 A CA 2.511 54.123 52.037 -0.709 0.000 0.636 152 A CB -0.489 17.841 19.000 -1.117 0.000 0.810 152 A HN 0.938 nan 8.150 nan 0.000 0.448 153 F N -0.123 119.898 119.950 0.119 0.000 2.269 153 F HA 0.000 4.527 4.527 -0.001 0.000 0.301 153 F C 2.328 178.147 175.800 0.031 0.000 1.082 153 F CA 1.200 59.239 58.000 0.064 0.000 1.360 153 F CB -0.429 38.559 39.000 -0.020 0.000 1.041 153 F HN 0.299 nan 8.300 nan 0.000 0.512 154 G N -2.888 105.990 108.800 0.129 0.000 3.228 154 G HA2 0.130 4.090 3.960 -0.001 0.000 0.245 154 G HA3 0.130 4.090 3.960 -0.001 0.000 0.245 154 G C 0.579 174.979 174.900 -0.832 0.000 1.051 154 G CA 0.042 44.966 45.100 -0.293 0.000 0.809 154 G HN 0.300 nan 8.290 nan 0.000 0.531 155 F N -0.427 119.601 119.950 0.130 0.000 2.899 155 F HA 0.422 4.949 4.527 -0.001 0.000 0.337 155 F C 0.282 176.115 175.800 0.056 0.000 1.129 155 F CA -0.976 57.077 58.000 0.088 0.000 1.128 155 F CB 0.496 39.573 39.000 0.129 0.000 1.154 155 F HN -0.079 nan 8.300 nan 0.000 0.531 156 L N 2.279 123.495 121.223 -0.012 0.000 2.513 156 L HA 0.474 4.813 4.340 -0.001 0.000 0.272 156 L C 0.163 176.989 176.870 -0.073 0.000 1.187 156 L CA 0.114 54.831 54.840 -0.205 0.000 0.895 156 L CB 0.203 41.848 42.059 -0.690 0.000 1.147 156 L HN 0.163 nan 8.230 nan 0.000 0.483 157 A N 6.939 129.764 122.820 0.007 0.000 2.340 157 A HA 0.631 4.950 4.320 -0.001 0.000 0.297 157 A C -0.796 176.799 177.584 0.018 0.000 1.195 157 A CA -0.476 51.579 52.037 0.030 0.000 0.769 157 A CB 0.555 19.604 19.000 0.082 0.000 1.163 157 A HN 0.703 nan 8.150 nan 0.000 0.472 158 L N 3.637 124.864 121.223 0.006 0.000 2.581 158 L HA 0.232 4.572 4.340 -0.001 0.000 0.241 158 L C 0.145 177.050 176.870 0.059 0.000 1.265 158 L CA -0.783 54.066 54.840 0.014 0.000 0.954 158 L CB 0.220 42.256 42.059 -0.038 0.000 1.269 158 L HN 0.926 nan 8.230 nan 0.000 0.475 159 H N 1.470 120.539 119.070 -0.002 0.000 3.119 159 H HA 0.141 4.696 4.556 -0.001 0.000 0.334 159 H C 1.280 176.612 175.328 0.006 0.000 1.042 159 H CA 1.781 57.834 56.048 0.009 0.000 1.354 159 H CB 0.822 30.593 29.762 0.015 0.000 1.285 159 H HN 0.662 nan 8.280 nan 0.000 0.601 160 G N 2.384 110.864 108.800 -0.533 0.000 2.234 160 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.235 160 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.235 160 G C 0.292 175.094 174.900 -0.163 0.000 0.997 160 G CA 0.569 45.462 45.100 -0.344 0.000 0.623 160 G HN 1.156 nan 8.290 nan 0.000 0.514 161 S N -0.864 114.773 115.700 -0.104 0.000 2.648 161 S HA 0.742 5.211 4.470 -0.001 0.000 0.305 161 S C 0.583 175.164 174.600 -0.032 0.000 1.094 161 S CA -0.131 58.038 58.200 -0.051 0.000 0.983 161 S CB 2.173 65.357 63.200 -0.026 0.000 1.101 161 S HN 0.031 nan 8.310 nan 0.000 0.514 162 Q N 0.088 119.882 119.800 -0.010 0.000 2.247 162 Q HA 0.273 4.612 4.340 -0.001 0.000 0.211 162 Q C 0.768 176.784 176.000 0.027 0.000 0.861 162 Q CA 0.219 56.026 55.803 0.006 0.000 0.949 162 Q CB 0.171 28.913 28.738 0.006 0.000 1.115 162 Q HN 0.710 nan 8.270 nan 0.000 0.507 163 E N 0.508 120.726 120.200 0.031 0.000 2.299 163 E HA 0.113 4.463 4.350 -0.001 0.000 0.193 163 E C 0.106 176.758 176.600 0.087 0.000 0.998 163 E CA 0.411 56.847 56.400 0.060 0.000 0.851 163 E CB 0.612 30.349 29.700 0.062 0.000 0.795 163 E HN 0.146 nan 8.360 nan 0.000 0.492 164 A N 1.261 124.108 122.820 0.045 0.000 3.399 164 A HA 0.251 4.571 4.320 -0.001 0.000 0.262 164 A C -2.060 175.531 177.584 0.012 0.000 1.145 164 A CA -0.738 51.316 52.037 0.028 0.000 0.916 164 A CB 0.530 19.469 19.000 -0.102 0.000 1.360 164 A HN -0.122 nan 8.150 nan 0.000 0.628 165 P HA 0.092 nan 4.420 nan 0.000 0.220 165 P C 0.945 178.291 177.300 0.077 0.000 1.148 165 P CA 2.084 65.216 63.100 0.054 0.000 0.803 165 P CB 0.195 31.927 31.700 0.053 0.000 0.782 166 G N 0.009 108.837 108.800 0.046 0.000 2.612 166 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.686 166 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.686 166 G C -0.187 174.716 174.900 0.004 0.000 1.274 166 G CA -0.284 44.845 45.100 0.047 0.000 0.849 166 G HN 0.104 nan 8.290 nan 0.000 0.595 167 N N -2.227 116.467 118.700 -0.009 0.000 2.690 167 N HA -0.293 4.446 4.740 -0.001 0.000 0.249 167 N C 1.994 177.367 175.510 -0.230 0.000 1.125 167 N CA 2.436 55.405 53.050 -0.135 0.000 0.794 167 N CB -1.568 36.770 38.487 -0.249 0.000 1.152 167 N HN 1.916 nan 8.380 nan 0.000 0.571 168 V N -2.663 117.126 119.914 -0.207 0.000 2.720 168 V HA -0.020 4.100 4.120 -0.001 0.000 0.256 168 V C 2.269 178.241 176.094 -0.204 0.000 1.082 168 V CA 2.262 64.478 62.300 -0.140 0.000 1.101 168 V CB -0.872 30.912 31.823 -0.064 0.000 0.693 168 V HN 0.281 nan 8.190 nan 0.000 0.479 169 G N 0.318 108.808 108.800 -0.517 0.000 2.422 169 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.218 169 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.218 169 G C 1.520 176.354 174.900 -0.109 0.000 1.140 169 G CA 1.055 45.921 45.100 -0.390 0.000 0.775 169 G HN 0.542 nan 8.290 nan 0.000 0.545 170 L N -0.130 120.989 121.223 -0.173 0.000 2.179 170 L HA 0.143 4.482 4.340 -0.001 0.000 0.208 170 L C 2.757 179.684 176.870 0.095 0.000 1.096 170 L CA 0.227 54.984 54.840 -0.139 0.000 0.779 170 L CB -0.264 41.413 42.059 -0.636 0.000 0.922 170 L HN 0.168 nan 8.230 nan 0.000 0.443 171 L N -0.486 120.788 121.223 0.085 0.000 2.141 171 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 171 L C 2.124 179.077 176.870 0.139 0.000 1.094 171 L CA 0.837 55.783 54.840 0.178 0.000 0.763 171 L CB -0.595 41.542 42.059 0.130 0.000 0.908 171 L HN 0.282 nan 8.230 nan 0.000 0.437 172 D N 0.118 120.593 120.400 0.125 0.000 2.092 172 D HA -0.203 4.437 4.640 -0.001 0.000 0.193 172 D C 2.297 178.656 176.300 0.098 0.000 0.994 172 D CA 1.267 55.393 54.000 0.211 0.000 0.828 172 D CB -0.159 40.805 40.800 0.274 0.000 0.963 172 D HN 0.385 nan 8.370 nan 0.000 0.450 173 Q N 0.061 119.888 119.800 0.044 0.000 2.084 173 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 173 Q C 2.263 178.172 176.000 -0.150 0.000 0.978 173 Q CA 1.007 56.756 55.803 -0.089 0.000 0.844 173 Q CB -0.079 28.622 28.738 -0.062 0.000 0.898 173 Q HN 0.194 nan 8.270 nan 0.000 0.426 174 R N 0.578 121.082 120.500 0.006 0.000 2.120 174 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 174 R C 2.134 178.406 176.300 -0.048 0.000 1.123 174 R CA 1.285 57.376 56.100 -0.016 0.000 0.975 174 R CB -0.108 30.277 30.300 0.142 0.000 0.866 174 R HN 0.293 nan 8.270 nan 0.000 0.446 175 M N -0.149 119.431 119.600 -0.034 0.000 2.200 175 M HA -0.047 4.433 4.480 -0.001 0.000 0.265 175 M C 2.107 178.296 176.300 -0.185 0.000 1.066 175 M CA 1.686 56.981 55.300 -0.009 0.000 1.127 175 M CB 0.009 32.696 32.600 0.145 0.000 1.379 175 M HN 0.306 nan 8.290 nan 0.000 0.420 176 A N 0.514 122.961 122.820 -0.621 0.000 1.902 176 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 176 A C 1.962 179.402 177.584 -0.240 0.000 1.181 176 A CA 1.385 52.894 52.037 -0.880 0.000 0.623 176 A CB -0.958 17.366 19.000 -1.127 0.000 0.818 176 A HN 0.569 nan 8.150 nan 0.000 0.443 177 L N -1.139 119.980 121.223 -0.173 0.000 2.141 177 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 177 L C 2.796 179.704 176.870 0.063 0.000 1.094 177 L CA 1.498 56.312 54.840 -0.044 0.000 0.763 177 L CB -0.375 41.625 42.059 -0.098 0.000 0.908 177 L HN 0.467 nan 8.230 nan 0.000 0.437 178 Q N -0.431 119.401 119.800 0.053 0.000 2.124 178 Q HA -0.251 4.089 4.340 -0.001 0.000 0.202 178 Q C 1.976 178.090 176.000 0.191 0.000 0.977 178 Q CA 1.844 57.707 55.803 0.100 0.000 0.850 178 Q CB -0.396 28.389 28.738 0.077 0.000 0.901 178 Q HN 0.481 nan 8.270 nan 0.000 0.429 179 W N -0.840 120.472 121.300 0.020 0.000 2.381 179 W HA -0.110 4.550 4.660 -0.001 0.000 0.301 179 W C 1.849 178.409 176.519 0.069 0.000 1.205 179 W CA 1.497 58.880 57.345 0.063 0.000 1.285 179 W CB -0.137 29.363 29.460 0.066 0.000 1.133 179 W HN -0.016 nan 8.180 nan 0.000 0.521 180 V N -0.029 120.076 119.914 0.318 0.000 2.407 180 V HA -0.366 3.754 4.120 -0.001 0.000 0.248 180 V C 2.492 178.614 176.094 0.047 0.000 1.055 180 V CA 2.315 64.725 62.300 0.183 0.000 1.049 180 V CB -1.216 30.704 31.823 0.161 0.000 0.662 180 V HN 0.343 nan 8.190 nan 0.000 0.455 181 H N 0.241 119.308 119.070 -0.004 0.000 2.389 181 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 181 H C 1.774 177.038 175.328 -0.106 0.000 1.081 181 H CA 1.804 57.827 56.048 -0.042 0.000 1.345 181 H CB 0.147 29.898 29.762 -0.018 0.000 1.393 181 H HN 0.441 nan 8.280 nan 0.000 0.520 182 D N -0.402 119.958 120.400 -0.066 0.000 2.333 182 D HA -0.025 4.615 4.640 -0.001 0.000 0.208 182 D C 1.087 177.212 176.300 -0.293 0.000 0.984 182 D CA 0.355 54.261 54.000 -0.157 0.000 0.873 182 D CB 0.186 40.934 40.800 -0.088 0.000 0.935 182 D HN 0.452 nan 8.370 nan 0.000 0.521 183 N N -0.067 118.386 118.700 -0.412 0.000 2.211 183 N HA 0.021 4.761 4.740 -0.001 0.000 0.216 183 N C 1.509 176.907 175.510 -0.187 0.000 1.240 183 N CA -0.182 52.638 53.050 -0.384 0.000 0.895 183 N CB 0.987 38.907 38.487 -0.946 0.000 1.102 183 N HN -0.009 nan 8.380 nan 0.000 0.498 184 I N 3.227 123.717 120.570 -0.134 0.000 2.657 184 I HA -0.252 3.917 4.170 -0.001 0.000 0.261 184 I C 2.515 178.616 176.117 -0.027 0.000 1.212 184 I CA 1.332 62.662 61.300 0.050 0.000 1.453 184 I CB -0.213 37.794 38.000 0.013 0.000 1.092 184 I HN 0.210 nan 8.210 nan 0.000 0.452 185 Q N -0.847 118.751 119.800 -0.336 0.000 2.226 185 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 185 Q C 1.675 177.425 176.000 -0.417 0.000 0.975 185 Q CA 1.578 57.122 55.803 -0.432 0.000 0.866 185 Q CB -0.743 27.606 28.738 -0.650 0.000 0.915 185 Q HN 0.429 nan 8.270 nan 0.000 0.440 186 F N -0.499 119.387 119.950 -0.106 0.000 2.748 186 F HA 0.160 4.687 4.527 -0.001 0.000 0.299 186 F C 0.743 176.309 175.800 -0.390 0.000 1.154 186 F CA 0.147 57.989 58.000 -0.263 0.000 1.446 186 F CB 0.013 38.777 39.000 -0.393 0.000 1.112 186 F HN 0.003 nan 8.300 nan 0.000 0.584 187 F N -0.771 119.174 119.950 -0.008 0.000 2.678 187 F HA 0.433 4.959 4.527 -0.001 0.000 0.305 187 F C 1.773 177.581 175.800 0.013 0.000 1.090 187 F CA 0.334 58.315 58.000 -0.032 0.000 1.272 187 F CB 0.288 39.241 39.000 -0.078 0.000 1.060 187 F HN 0.025 nan 8.300 nan 0.000 0.576 188 G N 0.118 108.990 108.800 0.120 0.000 2.176 188 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.232 188 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.232 188 G C 0.646 175.583 174.900 0.062 0.000 0.986 188 G CA -0.328 44.822 45.100 0.082 0.000 0.643 188 G HN 0.688 nan 8.290 nan 0.000 0.522 189 G N -0.260 108.581 108.800 0.067 0.000 2.476 189 G HA2 0.479 4.439 3.960 -0.001 0.000 0.269 189 G HA3 0.479 4.439 3.960 -0.001 0.000 0.269 189 G C -0.726 174.156 174.900 -0.031 0.000 1.195 189 G CA 0.398 45.519 45.100 0.035 0.000 0.843 189 G HN 0.267 nan 8.290 nan 0.000 0.545 190 D N 1.425 121.808 120.400 -0.029 0.000 2.359 190 D HA 0.268 4.908 4.640 -0.001 0.000 0.230 190 D C -0.975 175.283 176.300 -0.070 0.000 1.118 190 D CA -2.409 51.554 54.000 -0.061 0.000 0.844 190 D CB 1.893 42.667 40.800 -0.043 0.000 1.059 190 D HN 0.074 nan 8.370 nan 0.000 0.493 191 P HA -0.137 nan 4.420 nan 0.000 0.226 191 P C 0.551 177.797 177.300 -0.089 0.000 1.153 191 P CA 0.814 63.820 63.100 -0.156 0.000 0.777 191 P CB 0.024 31.516 31.700 -0.346 0.000 0.794 192 K N -0.782 119.574 120.400 -0.074 0.000 2.417 192 K HA 0.162 4.481 4.320 -0.001 0.000 0.196 192 K C -0.055 176.533 176.600 -0.019 0.000 1.023 192 K CA 0.209 56.477 56.287 -0.033 0.000 1.122 192 K CB -0.332 32.142 32.500 -0.043 0.000 0.850 192 K HN -0.183 nan 8.250 nan 0.000 0.521 193 T N 1.202 115.747 114.554 -0.014 0.000 3.866 193 T HA 0.113 4.463 4.350 -0.001 0.000 0.241 193 T C -1.120 173.587 174.700 0.012 0.000 1.017 193 T CA -0.582 61.509 62.100 -0.014 0.000 1.300 193 T CB 0.883 69.731 68.868 -0.034 0.000 0.968 193 T HN 0.176 nan 8.240 nan 0.000 0.595 194 V N 1.559 121.509 119.914 0.059 0.000 2.427 194 V HA 0.709 4.828 4.120 -0.001 0.000 0.286 194 V C -0.462 175.717 176.094 0.141 0.000 1.034 194 V CA 0.117 62.478 62.300 0.101 0.000 0.893 194 V CB 1.452 33.355 31.823 0.134 0.000 0.982 194 V HN 0.442 nan 8.190 nan 0.000 0.452 195 T N 8.711 123.332 114.554 0.111 0.000 2.779 195 T HA 0.547 4.897 4.350 -0.001 0.000 0.280 195 T C -0.103 174.697 174.700 0.168 0.000 0.987 195 T CA -0.158 62.015 62.100 0.121 0.000 0.966 195 T CB 0.824 69.708 68.868 0.027 0.000 0.933 195 T HN 0.825 nan 8.240 nan 0.000 0.442 196 I N 1.537 122.172 120.570 0.108 0.000 2.392 196 I HA 0.870 5.040 4.170 -0.001 0.000 0.295 196 I C -0.918 175.352 176.117 0.255 0.000 0.985 196 I CA -1.055 60.301 61.300 0.093 0.000 1.221 196 I CB 1.046 38.883 38.000 -0.272 0.000 1.366 196 I HN 0.499 nan 8.210 nan 0.000 0.467 197 F N 3.105 123.079 119.950 0.040 0.000 2.601 197 F HA 1.001 5.527 4.527 -0.001 0.000 0.309 197 F C -0.436 175.375 175.800 0.017 0.000 1.089 197 F CA -1.253 56.812 58.000 0.108 0.000 0.940 197 F CB 1.321 40.487 39.000 0.277 0.000 1.273 197 F HN 0.819 nan 8.300 nan 0.000 0.450 198 G N 0.996 109.715 108.800 -0.135 0.000 2.649 198 G HA2 0.517 4.476 3.960 -0.001 0.000 0.290 198 G HA3 0.517 4.476 3.960 -0.001 0.000 0.290 198 G C -2.470 172.297 174.900 -0.221 0.000 1.426 198 G CA -0.796 43.915 45.100 -0.648 0.000 0.794 198 G HN 0.862 nan 8.290 nan 0.000 0.483 199 E N 0.119 120.141 120.200 -0.297 0.000 2.266 199 E HA 0.615 4.964 4.350 -0.001 0.000 0.268 199 E C 0.563 177.118 176.600 -0.076 0.000 0.879 199 E CA 0.300 56.703 56.400 0.005 0.000 0.762 199 E CB 2.161 32.004 29.700 0.238 0.000 1.199 199 E HN 0.942 nan 8.360 nan 0.000 0.422 200 S N 2.909 118.623 115.700 0.024 0.000 4.116 200 S HA -0.388 4.081 4.470 -0.001 0.000 0.623 200 S C 1.468 176.134 174.600 0.110 0.000 1.933 200 S CA 2.157 60.425 58.200 0.113 0.000 4.224 200 S CB -1.651 61.537 63.200 -0.019 0.000 0.208 200 S HN 1.052 nan 8.310 nan 0.000 0.527 201 A N 1.007 123.767 122.820 -0.100 0.000 2.024 201 A HA 0.138 4.458 4.320 -0.001 0.000 0.220 201 A C 2.458 179.795 177.584 -0.413 0.000 1.164 201 A CA 2.463 54.234 52.037 -0.442 0.000 0.643 201 A CB -1.554 16.757 19.000 -1.147 0.000 0.806 201 A HN 1.642 nan 8.150 nan 0.000 0.451 202 G N -0.819 107.793 108.800 -0.313 0.000 2.421 202 G HA2 0.115 4.075 3.960 -0.001 0.000 0.217 202 G HA3 0.115 4.075 3.960 -0.001 0.000 0.217 202 G C 1.427 176.166 174.900 -0.268 0.000 1.143 202 G CA 1.069 45.947 45.100 -0.369 0.000 0.784 202 G HN 0.656 nan 8.290 nan 0.000 0.541 203 G N 0.853 109.555 108.800 -0.162 0.000 2.421 203 G HA2 0.152 4.111 3.960 -0.001 0.000 0.217 203 G HA3 0.152 4.111 3.960 -0.001 0.000 0.217 203 G C 1.935 176.755 174.900 -0.134 0.000 1.143 203 G CA 1.319 46.358 45.100 -0.102 0.000 0.784 203 G HN 0.563 nan 8.290 nan 0.000 0.541 204 A N 0.736 123.497 122.820 -0.099 0.000 1.929 204 A HA 0.111 4.431 4.320 -0.001 0.000 0.216 204 A C 2.665 180.205 177.584 -0.073 0.000 1.176 204 A CA 2.003 53.964 52.037 -0.128 0.000 0.628 204 A CB -0.475 18.475 19.000 -0.085 0.000 0.816 204 A HN 0.271 nan 8.150 nan 0.000 0.444 205 S N -0.356 115.321 115.700 -0.037 0.000 2.356 205 S HA -0.135 4.334 4.470 -0.001 0.000 0.223 205 S C 1.906 176.460 174.600 -0.076 0.000 1.032 205 S CA 1.411 59.576 58.200 -0.058 0.000 1.005 205 S CB -0.457 62.672 63.200 -0.118 0.000 0.867 205 S HN 0.326 nan 8.310 nan 0.000 0.449 206 V N 1.582 121.452 119.914 -0.075 0.000 2.332 206 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 206 V C 2.544 178.605 176.094 -0.055 0.000 1.055 206 V CA 2.028 64.290 62.300 -0.063 0.000 1.038 206 V CB -1.343 30.411 31.823 -0.115 0.000 0.651 206 V HN 0.610 nan 8.190 nan 0.000 0.450 207 G N -1.303 107.412 108.800 -0.142 0.000 2.443 207 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 207 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 207 G C 1.558 176.451 174.900 -0.011 0.000 1.131 207 G CA 0.705 45.689 45.100 -0.192 0.000 0.775 207 G HN 0.462 nan 8.290 nan 0.000 0.547 208 M N -0.236 119.370 119.600 0.010 0.000 2.349 208 M HA 0.083 4.563 4.480 -0.001 0.000 0.266 208 M C 2.106 178.524 176.300 0.198 0.000 1.076 208 M CA 0.677 56.102 55.300 0.207 0.000 1.126 208 M CB -0.085 32.654 32.600 0.230 0.000 1.392 208 M HN 0.169 nan 8.290 nan 0.000 0.440 209 H N -0.274 118.936 119.070 0.235 0.000 2.470 209 H HA 0.093 4.649 4.556 -0.001 0.000 0.289 209 H C 2.054 177.609 175.328 0.378 0.000 1.033 209 H CA 1.148 57.340 56.048 0.240 0.000 1.331 209 H CB 0.002 29.814 29.762 0.083 0.000 1.414 209 H HN 0.396 nan 8.280 nan 0.000 0.545 210 I N 0.482 121.341 120.570 0.481 0.000 2.394 210 I HA -0.216 3.953 4.170 -0.001 0.000 0.251 210 I C 2.094 178.455 176.117 0.408 0.000 1.136 210 I CA 0.844 62.457 61.300 0.521 0.000 1.425 210 I CB 0.016 38.279 38.000 0.437 0.000 1.079 210 I HN 0.113 nan 8.210 nan 0.000 0.425 211 L N -0.820 120.614 121.223 0.352 0.000 2.168 211 L HA 0.012 4.352 4.340 -0.001 0.000 0.203 211 L C 1.514 178.526 176.870 0.236 0.000 1.078 211 L CA 0.162 55.209 54.840 0.344 0.000 0.780 211 L CB -0.313 41.967 42.059 0.369 0.000 0.939 211 L HN 0.067 nan 8.230 nan 0.000 0.451 212 S N 0.456 116.235 115.700 0.132 0.000 2.481 212 S HA 0.098 4.567 4.470 -0.001 0.000 0.282 212 S C -1.492 173.014 174.600 -0.157 0.000 1.243 212 S CA -1.300 56.792 58.200 -0.180 0.000 1.078 212 S CB 0.893 63.626 63.200 -0.778 0.000 0.916 212 S HN -0.087 nan 8.310 nan 0.000 0.495 213 P HA -0.073 nan 4.420 nan 0.000 0.216 213 P C 1.450 178.665 177.300 -0.141 0.000 1.153 213 P CA 1.340 64.375 63.100 -0.107 0.000 0.858 213 P CB -0.142 31.502 31.700 -0.094 0.000 0.789 214 G N -1.657 107.007 108.800 -0.227 0.000 2.625 214 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.214 214 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.214 214 G C 1.360 176.174 174.900 -0.144 0.000 1.132 214 G CA 0.622 45.603 45.100 -0.198 0.000 0.782 214 G HN 0.240 nan 8.290 nan 0.000 0.538 215 S N -0.490 115.149 115.700 -0.101 0.000 2.539 215 S HA 0.105 4.575 4.470 -0.001 0.000 0.226 215 S C 2.258 176.929 174.600 0.117 0.000 1.054 215 S CA -0.485 57.757 58.200 0.070 0.000 0.910 215 S CB 0.179 63.559 63.200 0.299 0.000 0.818 215 S HN 0.333 nan 8.310 nan 0.000 0.490 216 R N 2.145 122.663 120.500 0.029 0.000 2.140 216 R HA -0.148 4.192 4.340 -0.001 0.000 0.250 216 R C 0.486 176.600 176.300 -0.310 0.000 1.150 216 R CA 1.616 57.641 56.100 -0.126 0.000 0.966 216 R CB -0.799 29.454 30.300 -0.077 0.000 0.869 216 R HN 0.381 nan 8.270 nan 0.000 0.445 217 D N 0.504 120.788 120.400 -0.194 0.000 2.349 217 D HA 0.023 4.663 4.640 -0.001 0.000 0.224 217 D C 1.529 177.711 176.300 -0.197 0.000 1.029 217 D CA 0.474 54.351 54.000 -0.205 0.000 0.879 217 D CB 0.066 40.767 40.800 -0.166 0.000 0.906 217 D HN 0.246 nan 8.370 nan 0.000 0.528 218 L N -0.182 120.967 121.223 -0.123 0.000 2.592 218 L HA 0.171 4.511 4.340 -0.001 0.000 0.227 218 L C -0.048 176.955 176.870 0.220 0.000 1.127 218 L CA -0.011 54.837 54.840 0.013 0.000 0.884 218 L CB -0.188 41.903 42.059 0.054 0.000 1.065 218 L HN -0.057 nan 8.230 nan 0.000 0.457 219 F N -4.160 115.801 119.950 0.018 0.000 2.686 219 F HA 0.562 5.089 4.527 -0.001 0.000 0.311 219 F C 0.385 176.208 175.800 0.037 0.000 1.128 219 F CA -1.320 56.701 58.000 0.036 0.000 0.946 219 F CB 1.199 40.216 39.000 0.028 0.000 1.336 219 F HN -0.384 nan 8.300 nan 0.000 0.457 220 R N 0.747 121.332 120.500 0.141 0.000 2.087 220 R HA 0.480 4.820 4.340 -0.001 0.000 0.213 220 R C 0.015 176.376 176.300 0.101 0.000 1.137 220 R CA 0.911 57.025 56.100 0.024 0.000 1.022 220 R CB 0.285 30.592 30.300 0.013 0.000 0.920 220 R HN 0.785 nan 8.270 nan 0.000 0.451 221 R N -1.241 119.394 120.500 0.225 0.000 2.905 221 R HA 0.768 5.107 4.340 -0.001 0.000 0.260 221 R C -1.531 174.981 176.300 0.354 0.000 1.086 221 R CA -0.713 55.513 56.100 0.210 0.000 0.978 221 R CB 2.263 32.492 30.300 -0.118 0.000 1.215 221 R HN 0.226 nan 8.270 nan 0.000 0.480 222 A N 1.351 124.374 122.820 0.338 0.000 2.520 222 A HA 0.637 4.957 4.320 -0.001 0.000 0.298 222 A C -1.232 176.480 177.584 0.214 0.000 1.051 222 A CA -0.603 51.576 52.037 0.236 0.000 0.690 222 A CB 1.204 20.308 19.000 0.174 0.000 1.281 222 A HN 0.565 nan 8.150 nan 0.000 0.402 223 I N 1.973 122.632 120.570 0.148 0.000 2.436 223 I HA 0.395 4.565 4.170 -0.001 0.000 0.289 223 I C -1.391 174.787 176.117 0.101 0.000 1.010 223 I CA -0.635 60.687 61.300 0.038 0.000 1.098 223 I CB 1.833 39.807 38.000 -0.042 0.000 1.266 223 I HN 0.440 nan 8.210 nan 0.000 0.434 224 L N 6.766 128.016 121.223 0.046 0.000 2.319 224 L HA 0.422 4.762 4.340 -0.001 0.000 0.281 224 L C -0.443 176.510 176.870 0.139 0.000 1.005 224 L CA -0.219 54.650 54.840 0.048 0.000 0.828 224 L CB 1.498 43.518 42.059 -0.064 0.000 1.227 224 L HN 0.492 nan 8.230 nan 0.000 0.415 225 Q N 2.038 121.970 119.800 0.220 0.000 2.347 225 Q HA 0.459 4.798 4.340 -0.001 0.000 0.262 225 Q C 0.037 176.160 176.000 0.205 0.000 0.980 225 Q CA -0.565 55.431 55.803 0.320 0.000 0.867 225 Q CB 1.441 30.469 28.738 0.484 0.000 1.242 225 Q HN 0.641 nan 8.270 nan 0.000 0.453 226 S N 1.040 116.845 115.700 0.175 0.000 3.614 226 S HA -0.163 4.307 4.470 -0.001 0.000 0.360 226 S C 0.020 174.754 174.600 0.222 0.000 1.023 226 S CA 0.587 58.904 58.200 0.194 0.000 1.114 226 S CB -1.161 62.187 63.200 0.246 0.000 0.907 226 S HN 0.989 nan 8.310 nan 0.000 0.470 227 G N -0.259 108.615 108.800 0.123 0.000 2.633 227 G HA2 0.587 4.547 3.960 -0.001 0.000 0.299 227 G HA3 0.587 4.547 3.960 -0.001 0.000 0.299 227 G C -0.960 173.880 174.900 -0.099 0.000 1.501 227 G CA 0.128 45.301 45.100 0.122 0.000 0.887 227 G HN 1.095 nan 8.290 nan 0.000 0.561 228 S N 1.472 117.037 115.700 -0.225 0.000 2.588 228 S HA 0.796 5.266 4.470 -0.001 0.000 0.275 228 S C -2.007 172.305 174.600 -0.480 0.000 1.130 228 S CA -1.162 56.762 58.200 -0.461 0.000 0.855 228 S CB 3.058 65.975 63.200 -0.471 0.000 1.116 228 S HN 0.423 nan 8.310 nan 0.000 0.472 229 P HA -0.135 nan 4.420 nan 0.000 0.219 229 P C 0.420 177.482 177.300 -0.397 0.000 1.146 229 P CA 1.324 64.186 63.100 -0.397 0.000 0.808 229 P CB -0.330 31.182 31.700 -0.313 0.000 0.779 230 N N -0.910 117.585 118.700 -0.341 0.000 2.295 230 N HA 0.014 4.754 4.740 -0.001 0.000 0.221 230 N C -0.253 175.032 175.510 -0.376 0.000 1.129 230 N CA -0.392 52.489 53.050 -0.282 0.000 0.836 230 N CB -1.318 37.115 38.487 -0.089 0.000 1.040 230 N HN 0.011 nan 8.380 nan 0.000 0.494 231 C N 2.550 121.502 119.300 -0.580 0.000 2.644 231 C HA 0.192 4.651 4.460 -0.001 0.000 0.417 231 C C -0.289 174.242 174.990 -0.765 0.000 1.304 231 C CA -0.970 57.584 59.018 -0.774 0.000 2.035 231 C CB 1.334 28.294 27.740 -1.301 0.000 2.673 231 C HN 0.362 nan 8.230 nan 0.000 0.602 232 P HA -0.117 nan 4.420 nan 0.000 0.226 232 P C 1.033 178.167 177.300 -0.276 0.000 1.146 232 P CA 1.721 64.577 63.100 -0.408 0.000 0.773 232 P CB -0.046 31.419 31.700 -0.392 0.000 0.772 233 W N -1.764 119.413 121.300 -0.206 0.000 2.993 233 W HA 0.546 5.206 4.660 -0.000 0.000 0.290 233 W C 1.238 177.799 176.519 0.069 0.000 1.203 233 W CA 0.373 57.672 57.345 -0.076 0.000 1.582 233 W CB -0.971 28.485 29.460 -0.007 0.000 1.033 233 W HN -0.134 nan 8.180 nan 0.000 0.594 234 A N 1.587 124.092 122.820 -0.526 0.000 2.206 234 A HA 0.170 4.489 4.320 -0.001 0.000 0.211 234 A C 0.973 178.390 177.584 -0.279 0.000 1.158 234 A CA 1.264 53.108 52.037 -0.321 0.000 0.761 234 A CB -0.622 17.948 19.000 -0.716 0.000 0.801 234 A HN 0.256 nan 8.150 nan 0.000 0.473 235 S N -1.965 113.572 115.700 -0.272 0.000 2.567 235 S HA 0.598 5.067 4.470 -0.001 0.000 0.270 235 S C -0.804 173.675 174.600 -0.201 0.000 1.152 235 S CA -0.103 57.933 58.200 -0.272 0.000 0.835 235 S CB 1.163 64.145 63.200 -0.362 0.000 1.115 235 S HN 1.373 nan 8.310 nan 0.000 0.459 236 V N -0.801 119.014 119.914 -0.165 0.000 3.160 236 V HA 0.962 5.082 4.120 -0.001 0.000 0.310 236 V C 0.166 176.194 176.094 -0.111 0.000 1.181 236 V CA -0.418 61.806 62.300 -0.127 0.000 1.047 236 V CB 1.167 32.929 31.823 -0.102 0.000 1.068 236 V HN 1.570 nan 8.190 nan 0.000 0.441 237 S N 0.483 116.127 115.700 -0.094 0.000 2.614 237 S HA 0.365 4.835 4.470 -0.001 0.000 0.265 237 S C 1.286 175.841 174.600 -0.075 0.000 1.303 237 S CA 0.001 58.149 58.200 -0.085 0.000 1.000 237 S CB 1.236 64.393 63.200 -0.072 0.000 0.935 237 S HN 2.124 nan 8.310 nan 0.000 0.551 238 V N -1.017 118.841 119.914 -0.093 0.000 2.490 238 V HA -0.029 4.091 4.120 -0.001 0.000 0.250 238 V C 2.495 178.569 176.094 -0.034 0.000 1.061 238 V CA 1.750 63.998 62.300 -0.087 0.000 1.064 238 V CB -2.021 29.680 31.823 -0.203 0.000 0.670 238 V HN 1.000 nan 8.190 nan 0.000 0.461 239 A N 0.615 123.412 122.820 -0.038 0.000 1.873 239 A HA -0.182 4.138 4.320 -0.001 0.000 0.215 239 A C 2.214 179.778 177.584 -0.033 0.000 1.186 239 A CA 1.905 53.928 52.037 -0.024 0.000 0.616 239 A CB -0.659 18.326 19.000 -0.025 0.000 0.823 239 A HN 0.610 nan 8.150 nan 0.000 0.442 240 E N 0.219 120.390 120.200 -0.048 0.000 2.150 240 E HA -0.013 4.337 4.350 -0.001 0.000 0.193 240 E C 1.906 178.472 176.600 -0.057 0.000 0.985 240 E CA 1.353 57.714 56.400 -0.066 0.000 0.814 240 E CB -0.756 28.895 29.700 -0.082 0.000 0.752 240 E HN 0.402 nan 8.360 nan 0.000 0.466 241 G N 0.601 109.381 108.800 -0.034 0.000 2.404 241 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.215 241 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.215 241 G C 1.772 176.683 174.900 0.019 0.000 1.174 241 G CA 0.776 45.878 45.100 0.003 0.000 0.780 241 G HN 0.323 nan 8.290 nan 0.000 0.537 242 R N 0.177 120.683 120.500 0.009 0.000 2.081 242 R HA 0.016 4.356 4.340 -0.001 0.000 0.235 242 R C 2.569 178.867 176.300 -0.003 0.000 1.131 242 R CA 1.232 57.338 56.100 0.010 0.000 0.960 242 R CB -0.330 29.979 30.300 0.016 0.000 0.856 242 R HN 0.253 nan 8.270 nan 0.000 0.436 243 R N 0.629 121.117 120.500 -0.019 0.000 2.091 243 R HA -0.130 4.210 4.340 -0.001 0.000 0.238 243 R C 2.112 178.392 176.300 -0.034 0.000 1.136 243 R CA 1.793 57.873 56.100 -0.034 0.000 0.959 243 R CB -0.105 30.161 30.300 -0.056 0.000 0.856 243 R HN 0.288 nan 8.270 nan 0.000 0.437 244 R N -0.375 120.102 120.500 -0.039 0.000 2.115 244 R HA -0.010 4.330 4.340 -0.001 0.000 0.226 244 R C 2.313 178.670 176.300 0.095 0.000 1.100 244 R CA 1.070 57.149 56.100 -0.036 0.000 0.980 244 R CB -0.231 29.974 30.300 -0.159 0.000 0.875 244 R HN 0.224 nan 8.270 nan 0.000 0.445 245 A N 0.778 123.663 122.820 0.108 0.000 1.902 245 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 245 A C 2.322 179.911 177.584 0.007 0.000 1.181 245 A CA 1.309 53.387 52.037 0.067 0.000 0.623 245 A CB -0.476 18.513 19.000 -0.018 0.000 0.818 245 A HN 0.100 nan 8.150 nan 0.000 0.443 246 V N -0.123 119.792 119.914 0.001 0.000 2.358 246 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 246 V C 2.587 178.682 176.094 0.003 0.000 1.047 246 V CA 2.327 64.623 62.300 -0.006 0.000 1.035 246 V CB -0.674 31.144 31.823 -0.009 0.000 0.658 246 V HN 0.646 nan 8.190 nan 0.000 0.452 247 E N 0.221 120.425 120.200 0.007 0.000 2.153 247 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 247 E C 1.893 178.511 176.600 0.030 0.000 0.988 247 E CA 1.049 57.453 56.400 0.008 0.000 0.811 247 E CB -0.412 29.280 29.700 -0.013 0.000 0.746 247 E HN 0.454 nan 8.360 nan 0.000 0.466 248 L N -0.350 120.909 121.223 0.059 0.000 2.017 248 L HA 0.009 4.348 4.340 -0.001 0.000 0.208 248 L C 2.155 179.043 176.870 0.030 0.000 1.073 248 L CA 2.421 57.308 54.840 0.078 0.000 0.745 248 L CB -1.030 41.095 42.059 0.111 0.000 0.894 248 L HN 0.206 nan 8.230 nan 0.000 0.432 249 G N -1.004 107.801 108.800 0.008 0.000 2.432 249 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.219 249 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.219 249 G C 1.824 176.734 174.900 0.017 0.000 1.135 249 G CA 0.684 45.787 45.100 0.005 0.000 0.767 249 G HN 0.410 nan 8.290 nan 0.000 0.550 250 R N 0.357 120.868 120.500 0.017 0.000 2.115 250 R HA 0.027 4.367 4.340 -0.001 0.000 0.226 250 R C 2.055 178.370 176.300 0.026 0.000 1.100 250 R CA 0.893 57.004 56.100 0.018 0.000 0.980 250 R CB -0.253 30.055 30.300 0.013 0.000 0.875 250 R HN 0.303 nan 8.270 nan 0.000 0.445 251 N N 0.270 118.989 118.700 0.032 0.000 2.459 251 N HA -0.080 4.660 4.740 -0.001 0.000 0.181 251 N C 0.868 176.404 175.510 0.043 0.000 1.046 251 N CA 0.758 53.832 53.050 0.040 0.000 0.904 251 N CB 0.245 38.763 38.487 0.051 0.000 0.964 251 N HN 0.257 nan 8.380 nan 0.000 0.444 252 L N 0.837 122.084 121.223 0.040 0.000 2.818 252 L HA 0.201 4.540 4.340 -0.001 0.000 0.243 252 L C -0.418 176.475 176.870 0.038 0.000 1.185 252 L CA -0.192 54.673 54.840 0.042 0.000 0.988 252 L CB -0.082 42.002 42.059 0.043 0.000 1.292 252 L HN 0.014 nan 8.230 nan 0.000 0.519 253 N N 0.314 119.034 118.700 0.033 0.000 2.667 253 N HA -0.218 4.522 4.740 -0.001 0.000 0.263 253 N C -0.050 175.480 175.510 0.033 0.000 1.038 253 N CA 1.087 54.155 53.050 0.030 0.000 0.749 253 N CB -1.675 36.831 38.487 0.031 0.000 0.892 253 N HN 0.529 nan 8.380 nan 0.000 0.546 254 C N 0.697 120.015 119.300 0.031 0.000 2.399 254 C HA 0.584 5.044 4.460 -0.001 0.000 0.348 254 C C 1.099 176.106 174.990 0.028 0.000 1.183 254 C CA -0.824 58.215 59.018 0.036 0.000 2.023 254 C CB 1.229 28.991 27.740 0.037 0.000 2.361 254 C HN 0.534 nan 8.230 nan 0.000 0.521 255 N N 2.337 121.055 118.700 0.031 0.000 2.452 255 N HA 0.213 4.953 4.740 -0.001 0.000 0.266 255 N C 0.253 175.772 175.510 0.015 0.000 1.209 255 N CA 0.172 53.234 53.050 0.019 0.000 0.929 255 N CB 0.411 38.907 38.487 0.015 0.000 1.063 255 N HN 0.651 nan 8.380 nan 0.000 0.472 256 L N 2.776 124.004 121.223 0.009 0.000 2.741 256 L HA 0.205 4.545 4.340 -0.001 0.000 0.237 256 L C 1.219 178.090 176.870 0.002 0.000 1.178 256 L CA -0.269 54.574 54.840 0.005 0.000 0.973 256 L CB -0.164 41.897 42.059 0.003 0.000 1.255 256 L HN 0.415 nan 8.230 nan 0.000 0.498 257 N N 0.706 119.407 118.700 0.001 0.000 2.381 257 N HA -0.061 4.679 4.740 -0.001 0.000 0.182 257 N C 0.652 176.161 175.510 -0.002 0.000 1.025 257 N CA 0.800 53.850 53.050 -0.001 0.000 0.888 257 N CB 0.273 38.758 38.487 -0.003 0.000 0.965 257 N HN 0.470 nan 8.380 nan 0.000 0.438 258 S N -1.522 114.177 115.700 -0.001 0.000 2.567 258 S HA 0.287 4.757 4.470 -0.001 0.000 0.270 258 S C -0.162 174.438 174.600 -0.000 0.000 1.152 258 S CA -0.865 57.334 58.200 -0.002 0.000 0.835 258 S CB 1.613 64.811 63.200 -0.003 0.000 1.115 258 S HN -0.259 nan 8.310 nan 0.000 0.459 259 D N 1.308 121.706 120.400 -0.003 0.000 2.133 259 D HA -0.103 4.537 4.640 -0.001 0.000 0.195 259 D C 1.524 177.829 176.300 0.008 0.000 0.997 259 D CA 2.014 56.011 54.000 -0.006 0.000 0.840 259 D CB -0.215 40.578 40.800 -0.011 0.000 0.947 259 D HN 0.700 nan 8.370 nan 0.000 0.452 260 E N 0.534 120.744 120.200 0.016 0.000 2.085 260 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 260 E C 2.000 178.632 176.600 0.054 0.000 0.994 260 E CA 0.931 57.352 56.400 0.036 0.000 0.801 260 E CB -0.242 29.471 29.700 0.020 0.000 0.743 260 E HN 0.257 nan 8.360 nan 0.000 0.453 261 E N 0.007 120.222 120.200 0.026 0.000 2.031 261 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 261 E C 1.838 178.476 176.600 0.065 0.000 0.994 261 E CA 0.675 57.090 56.400 0.025 0.000 0.800 261 E CB -0.260 29.442 29.700 0.005 0.000 0.752 261 E HN 0.181 nan 8.360 nan 0.000 0.447 262 L N 0.464 121.710 121.223 0.039 0.000 1.994 262 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 262 L C 2.066 178.960 176.870 0.040 0.000 1.071 262 L CA 1.687 56.543 54.840 0.027 0.000 0.745 262 L CB -0.608 41.444 42.059 -0.012 0.000 0.892 262 L HN 0.238 nan 8.230 nan 0.000 0.431 263 I N -0.658 119.933 120.570 0.034 0.000 2.151 263 I HA -0.374 3.795 4.170 -0.001 0.000 0.243 263 I C 2.665 178.868 176.117 0.143 0.000 1.080 263 I CA 1.762 63.098 61.300 0.059 0.000 1.339 263 I CB -0.850 37.188 38.000 0.064 0.000 1.039 263 I HN 0.507 nan 8.210 nan 0.000 0.409 264 H N 1.404 120.510 119.070 0.059 0.000 2.352 264 H HA -0.273 4.283 4.556 -0.001 0.000 0.299 264 H C 2.359 177.725 175.328 0.064 0.000 1.097 264 H CA 2.376 58.460 56.048 0.061 0.000 1.311 264 H CB -0.214 29.572 29.762 0.038 0.000 1.377 264 H HN 0.641 nan 8.280 nan 0.000 0.504 265 C N 1.481 120.921 119.300 0.233 0.000 2.425 265 C HA -0.011 4.449 4.460 -0.001 0.000 0.277 265 C C 3.171 178.207 174.990 0.076 0.000 1.280 265 C CA 0.985 60.098 59.018 0.158 0.000 1.744 265 C CB -1.298 26.521 27.740 0.132 0.000 1.989 265 C HN 0.540 nan 8.230 nan 0.000 0.491 266 L N -0.420 120.862 121.223 0.097 0.000 2.275 266 L HA -0.080 4.259 4.340 -0.001 0.000 0.215 266 L C 2.899 179.875 176.870 0.177 0.000 1.119 266 L CA 0.878 55.807 54.840 0.148 0.000 0.790 266 L CB -0.408 41.753 42.059 0.170 0.000 0.919 266 L HN 0.411 nan 8.230 nan 0.000 0.443 267 R N -0.474 120.085 120.500 0.099 0.000 2.240 267 R HA -0.046 4.293 4.340 -0.001 0.000 0.203 267 R C 1.557 177.811 176.300 -0.077 0.000 1.011 267 R CA 0.416 56.507 56.100 -0.015 0.000 1.007 267 R CB 0.120 30.386 30.300 -0.057 0.000 0.911 267 R HN 0.250 nan 8.270 nan 0.000 0.468 268 E N 0.627 120.772 120.200 -0.091 0.000 2.442 268 E HA 0.026 4.375 4.350 -0.001 0.000 0.195 268 E C 0.012 176.609 176.600 -0.006 0.000 1.030 268 E CA 0.533 56.890 56.400 -0.070 0.000 0.869 268 E CB 0.277 29.935 29.700 -0.071 0.000 0.857 268 E HN 0.047 nan 8.360 nan 0.000 0.505 269 K N 1.481 121.894 120.400 0.022 0.000 2.218 269 K HA 0.210 4.530 4.320 -0.001 0.000 0.276 269 K C 0.361 176.998 176.600 0.063 0.000 1.022 269 K CA -0.233 56.083 56.287 0.049 0.000 0.946 269 K CB 1.056 33.595 32.500 0.066 0.000 1.000 269 K HN -0.109 nan 8.250 nan 0.000 0.468 270 K N 2.518 122.958 120.400 0.067 0.000 2.355 270 K HA 0.024 4.344 4.320 -0.001 0.000 0.270 270 K C -1.571 175.110 176.600 0.135 0.000 1.003 270 K CA -1.401 54.930 56.287 0.073 0.000 0.957 270 K CB 0.191 32.726 32.500 0.059 0.000 0.939 270 K HN 0.183 nan 8.250 nan 0.000 0.482 271 P HA -0.247 nan 4.420 nan 0.000 0.215 271 P C 1.040 178.528 177.300 0.314 0.000 1.163 271 P CA 1.293 64.571 63.100 0.297 0.000 0.894 271 P CB 0.233 31.949 31.700 0.028 0.000 0.791 272 Q N -0.046 119.863 119.800 0.180 0.000 2.364 272 Q HA -0.173 4.167 4.340 -0.001 0.000 0.209 272 Q C 1.735 177.833 176.000 0.164 0.000 0.977 272 Q CA 1.482 57.388 55.803 0.171 0.000 0.885 272 Q CB -0.802 28.004 28.738 0.114 0.000 0.941 272 Q HN 0.382 nan 8.270 nan 0.000 0.464 273 E N -0.960 119.327 120.200 0.145 0.000 2.158 273 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 273 E C 1.421 178.089 176.600 0.114 0.000 0.982 273 E CA 0.758 57.228 56.400 0.116 0.000 0.823 273 E CB 0.065 29.820 29.700 0.092 0.000 0.766 273 E HN 0.272 nan 8.360 nan 0.000 0.468 274 L N 0.599 121.891 121.223 0.116 0.000 2.179 274 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 274 L C 2.185 179.108 176.870 0.087 0.000 1.096 274 L CA 1.097 55.962 54.840 0.041 0.000 0.779 274 L CB -0.212 41.776 42.059 -0.119 0.000 0.922 274 L HN 0.104 nan 8.230 nan 0.000 0.443 275 I N -0.531 120.152 120.570 0.187 0.000 2.315 275 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 275 I C 1.795 178.083 176.117 0.285 0.000 1.117 275 I CA 0.904 62.364 61.300 0.266 0.000 1.404 275 I CB -0.340 37.873 38.000 0.355 0.000 1.071 275 I HN 0.240 nan 8.210 nan 0.000 0.419 276 D N 0.489 121.030 120.400 0.235 0.000 2.218 276 D HA -0.113 4.527 4.640 -0.001 0.000 0.204 276 D C 1.858 178.286 176.300 0.213 0.000 0.976 276 D CA 1.443 55.581 54.000 0.229 0.000 0.853 276 D CB 0.160 41.059 40.800 0.166 0.000 0.939 276 D HN 0.384 nan 8.370 nan 0.000 0.481 277 V N -2.304 117.713 119.914 0.172 0.000 3.477 277 V HA 0.191 4.311 4.120 -0.001 0.000 0.297 277 V C 1.770 177.946 176.094 0.136 0.000 1.433 277 V CA 0.023 62.411 62.300 0.147 0.000 1.052 277 V CB 0.355 32.243 31.823 0.107 0.000 0.895 277 V HN -0.062 nan 8.190 nan 0.000 0.438 278 E N 1.011 121.286 120.200 0.125 0.000 2.097 278 E HA -0.274 4.076 4.350 -0.001 0.000 0.196 278 E C 1.510 178.027 176.600 -0.138 0.000 1.000 278 E CA 2.568 58.998 56.400 0.049 0.000 0.804 278 E CB -0.270 29.407 29.700 -0.038 0.000 0.740 278 E HN 0.781 nan 8.360 nan 0.000 0.454 279 W N 0.776 122.064 121.300 -0.020 0.000 2.937 279 W HA 0.075 4.734 4.660 -0.001 0.000 0.245 279 W C 1.385 177.865 176.519 -0.066 0.000 1.306 279 W CA -0.060 57.229 57.345 -0.094 0.000 1.470 279 W CB 0.087 29.454 29.460 -0.155 0.000 1.132 279 W HN 0.097 nan 8.180 nan 0.000 0.675 280 N N 0.069 118.849 118.700 0.134 0.000 2.461 280 N HA -0.071 4.668 4.740 -0.001 0.000 0.188 280 N C 1.640 177.158 175.510 0.013 0.000 1.134 280 N CA 1.101 54.199 53.050 0.079 0.000 0.878 280 N CB -0.217 38.316 38.487 0.076 0.000 0.972 280 N HN 0.246 nan 8.380 nan 0.000 0.456 281 V N -2.416 117.472 119.914 -0.044 0.000 3.621 281 V HA 0.281 4.401 4.120 -0.001 0.000 0.285 281 V C 0.719 176.717 176.094 -0.160 0.000 1.346 281 V CA -0.175 62.062 62.300 -0.105 0.000 1.104 281 V CB -0.522 31.215 31.823 -0.142 0.000 0.913 281 V HN -0.032 nan 8.190 nan 0.000 0.432 282 L N 2.504 123.650 121.223 -0.128 0.000 2.485 282 L HA 0.192 4.532 4.340 -0.001 0.000 0.275 282 L C -0.240 176.519 176.870 -0.185 0.000 1.207 282 L CA -0.769 53.989 54.840 -0.136 0.000 0.855 282 L CB 0.669 42.710 42.059 -0.030 0.000 1.114 282 L HN 0.175 nan 8.230 nan 0.000 0.485 283 P HA -0.052 nan 4.420 nan 0.000 0.222 283 P C -0.202 176.668 177.300 -0.716 0.000 1.153 283 P CA 1.170 63.896 63.100 -0.624 0.000 0.798 283 P CB 0.291 31.428 31.700 -0.939 0.000 0.796 284 F N -0.643 119.305 119.950 -0.003 0.000 2.620 284 F HA 0.378 4.904 4.527 -0.001 0.000 0.320 284 F C 0.358 176.165 175.800 0.011 0.000 1.069 284 F CA -1.672 56.333 58.000 0.008 0.000 0.953 284 F CB 0.186 39.197 39.000 0.018 0.000 1.322 284 F HN -0.353 nan 8.300 nan 0.000 0.479 285 D N 1.339 121.880 120.400 0.234 0.000 2.358 285 D HA 0.387 5.027 4.640 -0.001 0.000 0.258 285 D C -0.580 175.795 176.300 0.125 0.000 1.223 285 D CA 0.458 54.534 54.000 0.126 0.000 0.886 285 D CB 0.482 41.336 40.800 0.091 0.000 1.120 285 D HN 0.631 nan 8.370 nan 0.000 0.482 286 S N 3.149 118.908 115.700 0.098 0.000 2.656 286 S HA 0.633 5.102 4.470 -0.001 0.000 0.273 286 S C -0.711 173.921 174.600 0.052 0.000 1.168 286 S CA -1.027 57.222 58.200 0.083 0.000 0.817 286 S CB 1.154 64.426 63.200 0.121 0.000 1.146 286 S HN 0.464 nan 8.310 nan 0.000 0.475 287 I N 0.530 121.130 120.570 0.050 0.000 2.647 287 I HA 0.631 4.800 4.170 -0.001 0.000 0.295 287 I C -1.056 175.105 176.117 0.074 0.000 1.078 287 I CA -0.933 60.406 61.300 0.065 0.000 1.048 287 I CB 1.501 39.541 38.000 0.066 0.000 1.239 287 I HN 0.899 nan 8.210 nan 0.000 0.421 288 F N 5.555 125.406 119.950 -0.165 0.000 3.071 288 F HA -0.205 4.322 4.527 -0.001 0.000 0.295 288 F C -0.740 174.599 175.800 -0.770 0.000 0.919 288 F CA 0.517 58.198 58.000 -0.532 0.000 1.050 288 F CB -0.659 37.925 39.000 -0.693 0.000 1.040 288 F HN 0.494 nan 8.300 nan 0.000 0.692 289 R N 0.455 120.559 120.500 -0.659 0.000 2.673 289 R HA 0.671 5.010 4.340 -0.001 0.000 0.281 289 R C -1.040 174.774 176.300 -0.810 0.000 0.991 289 R CA -0.577 55.144 56.100 -0.632 0.000 0.896 289 R CB 1.493 31.705 30.300 -0.147 0.000 1.201 289 R HN -0.007 nan 8.270 nan 0.000 0.457 290 F N -0.872 119.172 119.950 0.157 0.000 2.563 290 F HA 0.381 4.907 4.527 -0.001 0.000 0.316 290 F C 1.554 177.224 175.800 -0.218 0.000 1.076 290 F CA -0.866 57.115 58.000 -0.031 0.000 0.921 290 F CB 1.645 40.721 39.000 0.126 0.000 1.209 290 F HN 0.357 nan 8.300 nan 0.000 0.462 291 S N 0.554 116.047 115.700 -0.344 0.000 2.354 291 S HA -0.080 4.389 4.470 -0.001 0.000 0.219 291 S C 0.063 174.149 174.600 -0.858 0.000 1.035 291 S CA 1.324 59.096 58.200 -0.714 0.000 1.037 291 S CB -0.296 62.282 63.200 -1.037 0.000 0.956 291 S HN 0.354 nan 8.310 nan 0.000 0.428 292 F N 1.691 121.627 119.950 -0.023 0.000 2.347 292 F HA 0.574 5.100 4.527 -0.001 0.000 0.366 292 F C 0.049 175.836 175.800 -0.023 0.000 1.107 292 F CA -1.005 57.019 58.000 0.040 0.000 1.058 292 F CB 1.050 40.116 39.000 0.111 0.000 1.236 292 F HN -0.056 nan 8.300 nan 0.000 0.456 293 V N 0.729 120.602 119.914 -0.067 0.000 3.158 293 V HA 0.765 4.884 4.120 -0.001 0.000 0.311 293 V C -2.884 172.915 176.094 -0.491 0.000 1.181 293 V CA -3.332 58.639 62.300 -0.549 0.000 1.054 293 V CB 1.955 33.635 31.823 -0.238 0.000 1.085 293 V HN 0.265 nan 8.190 nan 0.000 0.446 294 P HA 0.241 nan 4.420 nan 0.000 0.267 294 P C -0.915 176.308 177.300 -0.129 0.000 1.201 294 P CA 0.317 63.246 63.100 -0.285 0.000 0.775 294 P CB 0.658 32.119 31.700 -0.398 0.000 0.854 295 V N 4.042 123.969 119.914 0.021 0.000 2.709 295 V HA 0.335 4.455 4.120 -0.001 0.000 0.308 295 V C -0.627 175.524 176.094 0.095 0.000 1.062 295 V CA -1.029 61.275 62.300 0.006 0.000 0.901 295 V CB 1.488 33.322 31.823 0.017 0.000 1.003 295 V HN 0.224 nan 8.190 nan 0.000 0.425 296 I N 6.988 127.554 120.570 -0.007 0.000 2.577 296 I HA 0.185 4.354 4.170 -0.001 0.000 0.299 296 I C 0.900 177.033 176.117 0.026 0.000 1.157 296 I CA 0.432 61.760 61.300 0.046 0.000 1.418 296 I CB -0.247 37.702 38.000 -0.085 0.000 1.467 296 I HN 0.854 nan 8.210 nan 0.000 0.624 297 D N 3.302 123.769 120.400 0.111 0.000 2.379 297 D HA 0.092 4.732 4.640 -0.001 0.000 0.208 297 D C 1.374 177.689 176.300 0.026 0.000 1.065 297 D CA 0.614 54.592 54.000 -0.037 0.000 0.848 297 D CB 0.514 41.368 40.800 0.091 0.000 0.949 297 D HN 0.653 nan 8.370 nan 0.000 0.509 298 G N 0.345 109.209 108.800 0.106 0.000 2.179 298 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.260 298 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.260 298 G C 0.728 175.695 174.900 0.112 0.000 0.977 298 G CA 0.636 45.799 45.100 0.105 0.000 0.641 298 G HN 0.466 nan 8.290 nan 0.000 0.533 299 E N -1.535 118.740 120.200 0.125 0.000 2.592 299 E HA 0.397 4.746 4.350 -0.001 0.000 0.184 299 E C 1.754 178.366 176.600 0.019 0.000 1.056 299 E CA -0.198 56.250 56.400 0.080 0.000 1.151 299 E CB -0.033 29.730 29.700 0.106 0.000 1.435 299 E HN 0.179 nan 8.360 nan 0.000 0.496 300 F N 0.960 120.815 119.950 -0.157 0.000 2.095 300 F HA -0.042 4.484 4.527 -0.001 0.000 0.298 300 F C 0.216 175.713 175.800 -0.505 0.000 1.104 300 F CA 1.192 58.952 58.000 -0.400 0.000 1.232 300 F CB 0.271 38.901 39.000 -0.618 0.000 0.987 300 F HN -0.115 nan 8.300 nan 0.000 0.475 301 F N 0.713 120.808 119.950 0.241 0.000 2.375 301 F HA 0.357 4.883 4.527 -0.001 0.000 0.361 301 F C -1.582 174.258 175.800 0.067 0.000 1.117 301 F CA -2.957 55.125 58.000 0.136 0.000 1.037 301 F CB 0.514 39.586 39.000 0.120 0.000 1.192 301 F HN -0.230 nan 8.300 nan 0.000 0.452 302 P HA -0.130 nan 4.420 nan 0.000 0.214 302 P C 0.574 177.934 177.300 0.101 0.000 1.163 302 P CA 1.978 65.139 63.100 0.102 0.000 0.889 302 P CB 0.164 31.903 31.700 0.064 0.000 0.790 303 T N -5.791 108.828 114.554 0.108 0.000 2.604 303 T HA 0.482 4.832 4.350 -0.001 0.000 0.267 303 T C -0.072 174.663 174.700 0.059 0.000 0.923 303 T CA -0.604 61.538 62.100 0.069 0.000 1.077 303 T CB 0.588 69.483 68.868 0.045 0.000 1.392 303 T HN 0.000 nan 8.240 nan 0.000 0.531 304 S N -0.052 115.661 115.700 0.020 0.000 2.579 304 S HA 0.244 4.713 4.470 -0.001 0.000 0.275 304 S C 1.425 176.017 174.600 -0.013 0.000 1.345 304 S CA -0.781 57.408 58.200 -0.018 0.000 1.031 304 S CB -0.259 62.928 63.200 -0.022 0.000 0.892 304 S HN 0.637 nan 8.310 nan 0.000 0.529 305 L N 0.443 121.621 121.223 -0.074 0.000 2.083 305 L HA -0.073 4.267 4.340 -0.001 0.000 0.209 305 L C 2.893 179.780 176.870 0.027 0.000 1.083 305 L CA 1.662 56.470 54.840 -0.052 0.000 0.752 305 L CB -0.680 41.283 42.059 -0.160 0.000 0.899 305 L HN 0.759 nan 8.230 nan 0.000 0.433 306 E N 0.471 120.685 120.200 0.024 0.000 2.153 306 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 306 E C 2.263 178.914 176.600 0.084 0.000 0.988 306 E CA 1.537 57.985 56.400 0.080 0.000 0.811 306 E CB -0.057 29.683 29.700 0.066 0.000 0.746 306 E HN 0.482 nan 8.360 nan 0.000 0.466 307 S N -0.920 114.814 115.700 0.057 0.000 2.436 307 S HA -0.061 4.409 4.470 -0.001 0.000 0.228 307 S C 2.048 176.684 174.600 0.061 0.000 1.014 307 S CA 0.787 59.019 58.200 0.053 0.000 0.950 307 S CB -0.239 62.982 63.200 0.034 0.000 0.784 307 S HN 0.213 nan 8.310 nan 0.000 0.504 308 M N 1.001 120.651 119.600 0.084 0.000 2.156 308 M HA 0.106 4.586 4.480 -0.001 0.000 0.264 308 M C 2.107 178.525 176.300 0.197 0.000 1.067 308 M CA 1.288 56.660 55.300 0.120 0.000 1.131 308 M CB -0.617 32.083 32.600 0.167 0.000 1.368 308 M HN 0.298 nan 8.290 nan 0.000 0.416 309 L N 0.018 121.361 121.223 0.200 0.000 2.191 309 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 309 L C 2.037 179.038 176.870 0.218 0.000 1.103 309 L CA 0.757 55.738 54.840 0.235 0.000 0.769 309 L CB -0.720 41.402 42.059 0.105 0.000 0.908 309 L HN 0.386 nan 8.230 nan 0.000 0.438 310 N N -0.578 118.203 118.700 0.134 0.000 2.376 310 N HA -0.078 4.662 4.740 -0.001 0.000 0.177 310 N C 1.889 177.448 175.510 0.082 0.000 1.024 310 N CA 1.387 54.516 53.050 0.133 0.000 0.893 310 N CB 0.150 38.701 38.487 0.107 0.000 0.980 310 N HN 0.304 nan 8.380 nan 0.000 0.439 311 S N -0.942 114.733 115.700 -0.041 0.000 2.575 311 S HA 0.238 4.708 4.470 -0.001 0.000 0.215 311 S C 1.337 175.612 174.600 -0.543 0.000 0.966 311 S CA 0.388 58.498 58.200 -0.151 0.000 0.911 311 S CB 0.220 63.361 63.200 -0.098 0.000 0.780 311 S HN 0.324 nan 8.310 nan 0.000 0.514 312 G N 2.063 110.278 108.800 -0.975 0.000 2.160 312 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.251 312 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.251 312 G C 0.022 174.064 174.900 -1.429 0.000 1.008 312 G CA 0.105 43.966 45.100 -2.064 0.000 0.724 312 G HN 0.597 nan 8.290 nan 0.000 0.514 313 N N 0.640 118.928 118.700 -0.687 0.000 2.819 313 N HA 0.495 5.234 4.740 -0.001 0.000 0.284 313 N C -0.160 175.287 175.510 -0.105 0.000 1.196 313 N CA -0.018 52.831 53.050 -0.336 0.000 1.114 313 N CB -0.944 37.477 38.487 -0.111 0.000 1.437 313 N HN 0.728 nan 8.380 nan 0.000 0.518 314 F N -1.184 118.703 119.950 -0.105 0.000 2.770 314 F HA 0.370 4.896 4.527 -0.000 0.000 0.313 314 F C -0.381 175.429 175.800 0.018 0.000 1.154 314 F CA -1.423 56.584 58.000 0.011 0.000 0.923 314 F CB 0.588 39.653 39.000 0.109 0.000 1.301 314 F HN -0.156 nan 8.300 nan 0.000 0.449 315 K N 1.898 122.521 120.400 0.372 0.000 2.436 315 K HA 0.165 4.485 4.320 -0.001 0.000 0.282 315 K C -0.983 175.837 176.600 0.367 0.000 1.044 315 K CA -0.093 56.333 56.287 0.232 0.000 1.028 315 K CB 0.431 33.017 32.500 0.143 0.000 0.919 315 K HN 0.641 nan 8.250 nan 0.000 0.474 316 K N 2.701 123.201 120.400 0.166 0.000 2.248 316 K HA 0.212 4.532 4.320 -0.001 0.000 0.281 316 K C -0.107 176.608 176.600 0.192 0.000 1.054 316 K CA -0.165 56.221 56.287 0.165 0.000 0.903 316 K CB 1.839 34.351 32.500 0.020 0.000 1.077 316 K HN 0.720 nan 8.250 nan 0.000 0.474 317 T N 1.281 116.029 114.554 0.323 0.000 2.663 317 T HA 0.275 4.624 4.350 -0.001 0.000 0.302 317 T C -1.509 173.385 174.700 0.324 0.000 1.523 317 T CA -0.697 61.549 62.100 0.243 0.000 1.011 317 T CB 0.454 69.434 68.868 0.187 0.000 1.841 317 T HN 0.394 nan 8.240 nan 0.000 0.462 318 Q N 0.950 120.911 119.800 0.267 0.000 2.222 318 Q HA 0.788 5.128 4.340 -0.001 0.000 0.252 318 Q C -0.398 175.871 176.000 0.448 0.000 0.926 318 Q CA -0.515 55.501 55.803 0.355 0.000 0.899 318 Q CB 1.510 30.458 28.738 0.350 0.000 1.250 318 Q HN 0.692 nan 8.270 nan 0.000 0.441 319 I N -1.470 119.320 120.570 0.367 0.000 2.802 319 I HA 0.672 4.841 4.170 -0.001 0.000 0.298 319 I C -1.543 174.499 176.117 -0.124 0.000 1.176 319 I CA -1.353 60.052 61.300 0.175 0.000 1.025 319 I CB 1.871 39.803 38.000 -0.113 0.000 1.243 319 I HN 0.533 nan 8.210 nan 0.000 0.424 320 L N 6.847 127.806 121.223 -0.440 0.000 2.376 320 L HA 0.786 5.126 4.340 -0.001 0.000 0.275 320 L C -1.289 175.400 176.870 -0.301 0.000 0.987 320 L CA -0.524 53.922 54.840 -0.657 0.000 0.828 320 L CB 1.619 42.754 42.059 -1.540 0.000 1.249 320 L HN 0.823 nan 8.230 nan 0.000 0.409 321 L N 2.334 123.501 121.223 -0.093 0.000 2.600 321 L HA 1.104 5.444 4.340 -0.001 0.000 0.257 321 L C -0.785 175.955 176.870 -0.216 0.000 1.048 321 L CA -0.463 54.363 54.840 -0.024 0.000 0.869 321 L CB 1.916 43.937 42.059 -0.064 0.000 1.482 321 L HN 0.654 nan 8.230 nan 0.000 0.408 322 G N -0.108 108.363 108.800 -0.547 0.000 2.489 322 G HA2 0.624 4.583 3.960 -0.001 0.000 0.305 322 G HA3 0.624 4.583 3.960 -0.001 0.000 0.305 322 G C -1.462 173.110 174.900 -0.546 0.000 1.311 322 G CA 0.017 44.446 45.100 -1.119 0.000 0.813 322 G HN 1.467 nan 8.290 nan 0.000 0.480 323 V N -2.741 116.978 119.914 -0.324 0.000 3.182 323 V HA 0.844 4.964 4.120 -0.001 0.000 0.308 323 V C -1.172 174.993 176.094 0.118 0.000 1.240 323 V CA -1.438 60.880 62.300 0.031 0.000 1.063 323 V CB 1.833 33.712 31.823 0.093 0.000 1.076 323 V HN 0.652 nan 8.190 nan 0.000 0.446 324 N N 0.908 119.699 118.700 0.151 0.000 2.492 324 N HA 0.429 5.169 4.740 -0.001 0.000 0.289 324 N C 0.576 176.042 175.510 -0.073 0.000 1.133 324 N CA -0.476 52.644 53.050 0.117 0.000 0.961 324 N CB 1.834 40.480 38.487 0.265 0.000 1.186 324 N HN 0.927 nan 8.380 nan 0.000 0.493 325 K N 0.271 120.507 120.400 -0.272 0.000 2.032 325 K HA -0.097 4.223 4.320 -0.001 0.000 0.209 325 K C -0.596 176.077 176.600 0.122 0.000 1.048 325 K CA 1.335 57.528 56.287 -0.158 0.000 0.927 325 K CB 0.184 32.615 32.500 -0.116 0.000 0.712 325 K HN 0.527 nan 8.250 nan 0.000 0.441 326 D N 1.143 121.621 120.400 0.130 0.000 2.863 326 D HA 0.035 4.674 4.640 -0.001 0.000 0.323 326 D C 0.155 176.578 176.300 0.204 0.000 1.286 326 D CA -0.065 54.038 54.000 0.171 0.000 0.921 326 D CB 1.164 42.051 40.800 0.146 0.000 1.024 326 D HN 0.174 nan 8.370 nan 0.000 0.505 327 E N 0.326 120.658 120.200 0.220 0.000 2.267 327 E HA -0.125 4.224 4.350 -0.001 0.000 0.197 327 E C 1.855 178.613 176.600 0.265 0.000 0.998 327 E CA 0.647 57.206 56.400 0.264 0.000 0.830 327 E CB 0.196 30.026 29.700 0.217 0.000 0.751 327 E HN 0.425 nan 8.360 nan 0.000 0.491 328 G N 0.959 109.897 108.800 0.231 0.000 2.719 328 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.211 328 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.211 328 G C 1.654 176.731 174.900 0.295 0.000 1.140 328 G CA 0.610 45.875 45.100 0.275 0.000 0.790 328 G HN 0.342 nan 8.290 nan 0.000 0.529 329 S N 0.580 116.413 115.700 0.222 0.000 2.407 329 S HA -0.207 4.263 4.470 -0.001 0.000 0.235 329 S C 2.041 176.668 174.600 0.046 0.000 1.036 329 S CA 1.194 59.495 58.200 0.168 0.000 1.013 329 S CB -0.557 62.679 63.200 0.061 0.000 0.820 329 S HN 0.196 nan 8.310 nan 0.000 0.476 330 F N 1.671 121.556 119.950 -0.109 0.000 2.186 330 F HA 0.116 4.642 4.527 -0.001 0.000 0.299 330 F C 1.610 177.168 175.800 -0.403 0.000 1.090 330 F CA 0.922 58.696 58.000 -0.376 0.000 1.307 330 F CB -0.344 38.269 39.000 -0.646 0.000 1.019 330 F HN 0.180 nan 8.300 nan 0.000 0.489 331 F N -0.874 119.097 119.950 0.035 0.000 2.615 331 F HA 0.019 4.546 4.527 -0.001 0.000 0.297 331 F C 1.956 177.724 175.800 -0.053 0.000 1.124 331 F CA 0.514 58.490 58.000 -0.040 0.000 1.451 331 F CB -0.849 38.060 39.000 -0.151 0.000 1.103 331 F HN -0.102 nan 8.300 nan 0.000 0.569 332 L N -0.860 120.370 121.223 0.011 0.000 2.162 332 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 332 L C 2.380 179.097 176.870 -0.255 0.000 1.086 332 L CA 0.356 54.984 54.840 -0.354 0.000 0.778 332 L CB -0.451 41.076 42.059 -0.886 0.000 0.928 332 L HN 0.143 nan 8.230 nan 0.000 0.446 333 L N -0.948 120.289 121.223 0.023 0.000 2.012 333 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 333 L C 2.303 179.280 176.870 0.179 0.000 1.073 333 L CA 2.080 57.061 54.840 0.235 0.000 0.748 333 L CB -0.624 41.541 42.059 0.177 0.000 0.891 333 L HN 0.118 nan 8.230 nan 0.000 0.431 334 Y N -0.685 119.602 120.300 -0.021 0.000 2.337 334 Y HA 0.173 4.723 4.550 -0.001 0.000 0.293 334 Y C 2.320 178.200 175.900 -0.035 0.000 1.123 334 Y CA 1.029 59.118 58.100 -0.017 0.000 1.201 334 Y CB -0.391 38.048 38.460 -0.035 0.000 1.011 334 Y HN 0.282 nan 8.280 nan 0.000 0.545 335 G N -1.672 107.199 108.800 0.118 0.000 3.342 335 G HA2 0.451 4.411 3.960 -0.001 0.000 0.252 335 G HA3 0.451 4.411 3.960 -0.001 0.000 0.252 335 G C -0.086 174.835 174.900 0.035 0.000 1.011 335 G CA 0.386 45.518 45.100 0.053 0.000 0.869 335 G HN 0.273 nan 8.290 nan 0.000 0.514 336 A N 1.720 124.554 122.820 0.024 0.000 2.317 336 A HA 0.783 5.103 4.320 -0.001 0.000 0.327 336 A C -2.473 175.235 177.584 0.207 0.000 1.178 336 A CA -1.578 50.502 52.037 0.071 0.000 0.817 336 A CB 1.261 20.247 19.000 -0.023 0.000 1.189 336 A HN 0.066 nan 8.150 nan 0.000 0.489 337 P HA 0.262 nan 4.420 nan 0.000 0.268 337 P C 0.845 178.240 177.300 0.158 0.000 1.204 337 P CA 1.450 64.628 63.100 0.130 0.000 0.768 337 P CB 1.132 32.875 31.700 0.072 0.000 0.842 338 G N 2.002 110.844 108.800 0.069 0.000 2.284 338 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 338 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 338 G C -0.259 174.489 174.900 -0.253 0.000 1.009 338 G CA -0.535 44.499 45.100 -0.110 0.000 0.625 338 G HN 0.422 nan 8.290 nan 0.000 0.501 339 F N 2.171 122.051 119.950 -0.118 0.000 2.385 339 F HA 0.764 5.291 4.527 -0.001 0.000 0.336 339 F C 0.701 176.479 175.800 -0.037 0.000 1.100 339 F CA -0.398 57.491 58.000 -0.184 0.000 1.116 339 F CB 2.116 41.045 39.000 -0.119 0.000 1.166 339 F HN 0.030 nan 8.300 nan 0.000 0.511 340 S N 1.390 117.182 115.700 0.155 0.000 2.546 340 S HA 0.251 4.721 4.470 -0.001 0.000 0.274 340 S C 0.589 175.404 174.600 0.358 0.000 1.121 340 S CA -1.085 57.239 58.200 0.208 0.000 0.887 340 S CB 2.216 65.463 63.200 0.079 0.000 1.094 340 S HN 0.716 nan 8.310 nan 0.000 0.474 341 K N 0.754 121.311 120.400 0.262 0.000 2.148 341 K HA -0.065 4.255 4.320 -0.001 0.000 0.204 341 K C -0.175 176.488 176.600 0.106 0.000 1.050 341 K CA 1.339 57.708 56.287 0.136 0.000 0.942 341 K CB 0.060 32.382 32.500 -0.296 0.000 0.724 341 K HN 0.447 nan 8.250 nan 0.000 0.446 342 D N 0.508 120.954 120.400 0.076 0.000 2.427 342 D HA 0.039 4.678 4.640 -0.001 0.000 0.224 342 D C -0.295 176.051 176.300 0.076 0.000 1.157 342 D CA 0.103 54.130 54.000 0.046 0.000 0.828 342 D CB 0.766 41.561 40.800 -0.009 0.000 0.974 342 D HN 0.184 nan 8.370 nan 0.000 0.498 343 S N -1.512 114.264 115.700 0.127 0.000 2.651 343 S HA 0.322 4.792 4.470 -0.001 0.000 0.279 343 S C 0.624 175.260 174.600 0.060 0.000 1.148 343 S CA -0.770 57.464 58.200 0.056 0.000 0.837 343 S CB 2.020 65.204 63.200 -0.026 0.000 1.138 343 S HN -0.135 nan 8.310 nan 0.000 0.478 344 E N 0.861 121.049 120.200 -0.020 0.000 2.472 344 E HA 0.055 4.404 4.350 -0.001 0.000 0.200 344 E C -0.344 176.004 176.600 -0.420 0.000 1.046 344 E CA 0.540 56.901 56.400 -0.064 0.000 0.871 344 E CB -0.294 29.384 29.700 -0.036 0.000 0.806 344 E HN 0.688 nan 8.360 nan 0.000 0.533 345 S N 1.228 116.631 115.700 -0.495 0.000 3.550 345 S HA -0.184 4.286 4.470 -0.001 0.000 0.372 345 S C -0.278 173.930 174.600 -0.653 0.000 0.966 345 S CA 0.679 58.440 58.200 -0.732 0.000 1.229 345 S CB -1.137 61.253 63.200 -1.349 0.000 0.917 345 S HN 0.280 nan 8.310 nan 0.000 0.496 346 K N 0.972 121.138 120.400 -0.391 0.000 2.368 346 K HA 0.324 4.644 4.320 -0.001 0.000 0.282 346 K C 0.344 176.749 176.600 -0.324 0.000 1.035 346 K CA -0.187 55.922 56.287 -0.297 0.000 0.973 346 K CB 0.449 32.841 32.500 -0.181 0.000 0.957 346 K HN 0.220 nan 8.250 nan 0.000 0.474 347 I N 2.509 122.900 120.570 -0.298 0.000 2.377 347 I HA 0.079 4.248 4.170 -0.001 0.000 0.293 347 I C 0.946 176.995 176.117 -0.114 0.000 0.987 347 I CA -0.361 60.794 61.300 -0.240 0.000 1.185 347 I CB 1.303 39.161 38.000 -0.237 0.000 1.341 347 I HN 0.702 nan 8.210 nan 0.000 0.455 348 S N 6.717 122.371 115.700 -0.076 0.000 2.634 348 S HA 0.330 4.799 4.470 -0.001 0.000 0.261 348 S C 1.224 175.835 174.600 0.019 0.000 1.271 348 S CA -0.486 57.692 58.200 -0.037 0.000 0.985 348 S CB 1.421 64.605 63.200 -0.027 0.000 0.968 348 S HN 0.522 nan 8.310 nan 0.000 0.568 349 R N 1.029 121.538 120.500 0.015 0.000 2.096 349 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 349 R C 2.171 178.550 176.300 0.132 0.000 1.127 349 R CA 1.551 57.688 56.100 0.062 0.000 0.968 349 R CB -0.940 29.386 30.300 0.042 0.000 0.861 349 R HN 0.791 nan 8.270 nan 0.000 0.440 350 E N 0.888 121.136 120.200 0.080 0.000 2.021 350 E HA -0.209 4.141 4.350 -0.001 0.000 0.200 350 E C 1.551 178.201 176.600 0.085 0.000 1.015 350 E CA 1.317 57.761 56.400 0.073 0.000 0.824 350 E CB -0.463 29.261 29.700 0.040 0.000 0.762 350 E HN 0.340 nan 8.360 nan 0.000 0.454 351 D N 0.116 120.559 120.400 0.071 0.000 2.218 351 D HA -0.114 4.525 4.640 -0.001 0.000 0.204 351 D C 1.774 178.145 176.300 0.117 0.000 0.976 351 D CA 0.447 54.491 54.000 0.074 0.000 0.853 351 D CB -0.423 40.397 40.800 0.032 0.000 0.939 351 D HN 0.087 nan 8.370 nan 0.000 0.481 352 F N 1.384 121.342 119.950 0.013 0.000 2.051 352 F HA -0.162 4.365 4.527 -0.001 0.000 0.296 352 F C 2.371 178.197 175.800 0.044 0.000 1.122 352 F CA 1.424 59.442 58.000 0.029 0.000 1.201 352 F CB -0.314 38.682 39.000 -0.007 0.000 0.978 352 F HN -0.189 nan 8.300 nan 0.000 0.472 353 M N -0.917 118.737 119.600 0.089 0.000 2.279 353 M HA -0.189 4.290 4.480 -0.001 0.000 0.264 353 M C 2.389 178.657 176.300 -0.054 0.000 1.062 353 M CA 1.425 56.721 55.300 -0.007 0.000 1.099 353 M CB -0.581 32.095 32.600 0.127 0.000 1.394 353 M HN 0.163 nan 8.290 nan 0.000 0.426 354 S N 0.294 115.987 115.700 -0.013 0.000 2.383 354 S HA -0.050 4.419 4.470 -0.001 0.000 0.227 354 S C 1.929 176.507 174.600 -0.036 0.000 1.026 354 S CA 1.431 59.627 58.200 -0.007 0.000 0.981 354 S CB -0.382 62.834 63.200 0.026 0.000 0.818 354 S HN 0.645 nan 8.310 nan 0.000 0.472 355 G N 0.468 109.230 108.800 -0.062 0.000 2.421 355 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.217 355 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.217 355 G C 1.412 176.221 174.900 -0.152 0.000 1.143 355 G CA 0.830 45.887 45.100 -0.073 0.000 0.784 355 G HN 0.434 nan 8.290 nan 0.000 0.541 356 V N 0.823 120.581 119.914 -0.261 0.000 2.407 356 V HA -0.123 3.996 4.120 -0.001 0.000 0.248 356 V C 2.691 178.708 176.094 -0.128 0.000 1.055 356 V CA 2.139 64.296 62.300 -0.238 0.000 1.049 356 V CB -0.232 31.414 31.823 -0.294 0.000 0.662 356 V HN 0.354 nan 8.190 nan 0.000 0.455 357 K N 0.146 120.486 120.400 -0.100 0.000 2.147 357 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 357 K C 1.705 178.265 176.600 -0.067 0.000 1.049 357 K CA 1.483 57.723 56.287 -0.077 0.000 0.936 357 K CB -0.416 32.055 32.500 -0.049 0.000 0.722 357 K HN 0.270 nan 8.250 nan 0.000 0.446 358 L N 0.281 121.475 121.223 -0.048 0.000 2.240 358 L HA 0.058 4.398 4.340 -0.001 0.000 0.211 358 L C 1.844 178.704 176.870 -0.017 0.000 1.106 358 L CA 1.374 56.203 54.840 -0.019 0.000 0.793 358 L CB -0.427 41.629 42.059 -0.005 0.000 0.927 358 L HN 0.097 nan 8.230 nan 0.000 0.446 359 S N -1.801 113.870 115.700 -0.048 0.000 2.458 359 S HA 0.101 4.570 4.470 -0.001 0.000 0.223 359 S C 0.914 175.476 174.600 -0.063 0.000 1.019 359 S CA 0.202 58.376 58.200 -0.043 0.000 0.937 359 S CB 0.391 63.543 63.200 -0.080 0.000 0.788 359 S HN 0.111 nan 8.310 nan 0.000 0.511 360 V N 3.739 123.588 119.914 -0.108 0.000 2.361 360 V HA 0.213 4.333 4.120 -0.001 0.000 0.252 360 V C -1.695 174.272 176.094 -0.212 0.000 0.986 360 V CA -1.418 60.767 62.300 -0.193 0.000 1.033 360 V CB 0.812 32.508 31.823 -0.211 0.000 1.282 360 V HN 0.194 nan 8.190 nan 0.000 0.514 361 P HA -0.193 nan 4.420 nan 0.000 0.218 361 P C 0.982 177.908 177.300 -0.624 0.000 1.148 361 P CA 1.548 64.495 63.100 -0.255 0.000 0.822 361 P CB 0.015 31.684 31.700 -0.051 0.000 0.784 362 H N -1.052 117.708 119.070 -0.516 0.000 2.538 362 H HA 0.572 5.127 4.556 -0.001 0.000 0.286 362 H C 0.064 175.219 175.328 -0.289 0.000 1.035 362 H CA -0.510 55.237 56.048 -0.502 0.000 1.169 362 H CB -0.545 29.100 29.762 -0.195 0.000 1.417 362 H HN -0.014 nan 8.280 nan 0.000 0.567 363 A N 1.905 124.407 122.820 -0.530 0.000 2.317 363 A HA 0.366 4.686 4.320 -0.001 0.000 0.327 363 A C 0.138 177.582 177.584 -0.233 0.000 1.178 363 A CA -0.830 50.972 52.037 -0.391 0.000 0.817 363 A CB 0.935 19.701 19.000 -0.390 0.000 1.189 363 A HN 0.602 nan 8.150 nan 0.000 0.489 364 N N 1.398 119.999 118.700 -0.166 0.000 2.294 364 N HA 0.081 4.821 4.740 -0.001 0.000 0.248 364 N C -0.047 175.411 175.510 -0.086 0.000 1.300 364 N CA -0.151 52.835 53.050 -0.107 0.000 0.925 364 N CB 0.197 38.637 38.487 -0.079 0.000 1.188 364 N HN 0.471 nan 8.380 nan 0.000 0.512 365 D N -0.949 119.418 120.400 -0.054 0.000 2.144 365 D HA -0.120 4.520 4.640 -0.001 0.000 0.199 365 D C 1.673 177.962 176.300 -0.019 0.000 0.984 365 D CA 0.689 54.670 54.000 -0.031 0.000 0.834 365 D CB -0.247 40.543 40.800 -0.016 0.000 0.955 365 D HN 0.466 nan 8.370 nan 0.000 0.465 366 L N 0.552 121.760 121.223 -0.025 0.000 2.046 366 L HA -0.002 4.338 4.340 -0.001 0.000 0.208 366 L C 2.133 178.999 176.870 -0.006 0.000 1.077 366 L CA 2.062 56.896 54.840 -0.009 0.000 0.747 366 L CB -0.958 41.088 42.059 -0.022 0.000 0.896 366 L HN 0.073 nan 8.230 nan 0.000 0.432 367 G N -0.573 108.196 108.800 -0.051 0.000 2.402 367 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 367 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 367 G C 1.611 176.501 174.900 -0.017 0.000 1.162 367 G CA 0.959 46.019 45.100 -0.067 0.000 0.777 367 G HN 0.436 nan 8.290 nan 0.000 0.539 368 L N 0.494 121.699 121.223 -0.030 0.000 2.079 368 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 368 L C 2.471 179.378 176.870 0.062 0.000 1.081 368 L CA 1.198 56.036 54.840 -0.002 0.000 0.752 368 L CB -0.341 41.705 42.059 -0.021 0.000 0.896 368 L HN 0.108 nan 8.230 nan 0.000 0.433 369 D N 0.043 120.484 120.400 0.069 0.000 2.144 369 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 369 D C 2.229 178.615 176.300 0.143 0.000 0.978 369 D CA 1.398 55.464 54.000 0.109 0.000 0.833 369 D CB 0.034 40.882 40.800 0.081 0.000 0.961 369 D HN 0.313 nan 8.370 nan 0.000 0.470 370 A N 0.743 123.656 122.820 0.154 0.000 1.877 370 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 370 A C 2.562 180.257 177.584 0.186 0.000 1.186 370 A CA 1.351 53.531 52.037 0.238 0.000 0.620 370 A CB -0.831 18.396 19.000 0.378 0.000 0.822 370 A HN 0.134 nan 8.150 nan 0.000 0.443 371 V N -0.270 119.770 119.914 0.210 0.000 2.287 371 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 371 V C 2.747 178.961 176.094 0.199 0.000 1.053 371 V CA 2.562 64.954 62.300 0.153 0.000 1.027 371 V CB -1.403 30.535 31.823 0.192 0.000 0.646 371 V HN 0.607 nan 8.190 nan 0.000 0.447 372 T N 0.472 115.160 114.554 0.223 0.000 2.720 372 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 372 T C 1.871 176.759 174.700 0.313 0.000 1.037 372 T CA 1.952 64.255 62.100 0.339 0.000 1.144 372 T CB -0.364 68.707 68.868 0.339 0.000 0.864 372 T HN 0.302 nan 8.240 nan 0.000 0.444 373 L N 1.166 122.546 121.223 0.262 0.000 2.056 373 L HA 0.020 4.359 4.340 -0.001 0.000 0.207 373 L C 2.386 179.303 176.870 0.078 0.000 1.078 373 L CA 1.782 56.792 54.840 0.283 0.000 0.749 373 L CB -0.872 41.303 42.059 0.194 0.000 0.901 373 L HN 0.098 nan 8.230 nan 0.000 0.433 374 Q N -1.428 118.300 119.800 -0.120 0.000 2.291 374 Q HA -0.157 4.183 4.340 -0.001 0.000 0.205 374 Q C 0.790 176.512 176.000 -0.464 0.000 0.970 374 Q CA 1.651 57.195 55.803 -0.431 0.000 0.876 374 Q CB -0.123 28.014 28.738 -1.001 0.000 0.935 374 Q HN 0.686 nan 8.270 nan 0.000 0.455 375 Y N -1.322 118.938 120.300 -0.067 0.000 2.660 375 Y HA 0.354 4.903 4.550 -0.001 0.000 0.254 375 Y C -0.320 175.526 175.900 -0.090 0.000 1.176 375 Y CA -0.292 57.816 58.100 0.012 0.000 1.195 375 Y CB 1.061 39.635 38.460 0.189 0.000 1.190 375 Y HN -0.196 nan 8.280 nan 0.000 0.535 376 T N 0.331 114.794 114.554 -0.151 0.000 2.856 376 T HA 0.169 4.518 4.350 -0.001 0.000 0.283 376 T C -1.132 173.215 174.700 -0.588 0.000 1.008 376 T CA -0.667 61.099 62.100 -0.557 0.000 0.997 376 T CB 1.520 69.778 68.868 -1.017 0.000 0.992 376 T HN -0.033 nan 8.240 nan 0.000 0.454 377 D N 1.533 121.599 120.400 -0.556 0.000 2.473 377 D HA 0.170 4.810 4.640 -0.001 0.000 0.226 377 D C -0.067 176.002 176.300 -0.385 0.000 1.089 377 D CA -0.874 52.923 54.000 -0.338 0.000 0.883 377 D CB 0.370 41.048 40.800 -0.203 0.000 1.029 377 D HN 0.586 nan 8.370 nan 0.000 0.517 378 W N 3.075 124.339 121.300 -0.060 0.000 2.848 378 W HA 0.054 4.713 4.660 -0.001 0.000 0.241 378 W C 1.851 178.344 176.519 -0.045 0.000 1.289 378 W CA -0.046 57.267 57.345 -0.053 0.000 1.396 378 W CB -0.146 29.288 29.460 -0.043 0.000 1.138 378 W HN 0.380 nan 8.180 nan 0.000 0.677 379 M N -0.844 118.802 119.600 0.076 0.000 2.509 379 M HA 0.049 4.529 4.480 -0.001 0.000 0.250 379 M C 0.157 176.459 176.300 0.004 0.000 1.132 379 M CA 1.087 56.416 55.300 0.048 0.000 1.080 379 M CB 0.247 32.862 32.600 0.025 0.000 1.408 379 M HN -0.208 nan 8.290 nan 0.000 0.484 380 D N 0.116 120.489 120.400 -0.046 0.000 3.216 380 D HA -0.009 4.630 4.640 -0.001 0.000 0.348 380 D C 0.460 176.674 176.300 -0.142 0.000 1.407 380 D CA 0.067 54.023 54.000 -0.073 0.000 0.744 380 D CB 0.282 41.040 40.800 -0.070 0.000 1.264 380 D HN 0.193 nan 8.370 nan 0.000 0.543 381 D N -0.734 119.575 120.400 -0.152 0.000 2.309 381 D HA -0.144 4.496 4.640 -0.001 0.000 0.212 381 D C 0.436 176.610 176.300 -0.210 0.000 0.968 381 D CA 0.429 54.269 54.000 -0.267 0.000 0.882 381 D CB 0.173 40.846 40.800 -0.211 0.000 0.918 381 D HN 0.144 nan 8.370 nan 0.000 0.503 382 N N 0.388 119.014 118.700 -0.122 0.000 2.238 382 N HA 0.004 4.743 4.740 -0.001 0.000 0.222 382 N C -0.457 174.992 175.510 -0.102 0.000 1.133 382 N CA -0.211 52.780 53.050 -0.099 0.000 0.854 382 N CB 0.055 38.511 38.487 -0.052 0.000 1.041 382 N HN 0.378 nan 8.380 nan 0.000 0.510 383 N N 0.010 118.636 118.700 -0.123 0.000 2.405 383 N HA 0.086 4.825 4.740 -0.001 0.000 0.260 383 N C 1.485 176.924 175.510 -0.118 0.000 1.152 383 N CA -0.253 52.735 53.050 -0.104 0.000 0.948 383 N CB 0.710 39.137 38.487 -0.099 0.000 1.111 383 N HN 0.055 nan 8.380 nan 0.000 0.485 384 G N 3.646 112.385 108.800 -0.102 0.000 2.442 384 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.219 384 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.219 384 G C 1.248 176.080 174.900 -0.114 0.000 1.141 384 G CA 0.619 45.648 45.100 -0.117 0.000 0.763 384 G HN 0.687 nan 8.290 nan 0.000 0.554 385 I N -0.313 120.209 120.570 -0.081 0.000 2.617 385 I HA -0.026 4.144 4.170 -0.001 0.000 0.256 385 I C 2.684 178.786 176.117 -0.025 0.000 1.167 385 I CA 0.771 62.043 61.300 -0.046 0.000 1.469 385 I CB -0.041 37.950 38.000 -0.016 0.000 1.098 385 I HN 0.114 nan 8.210 nan 0.000 0.436 386 K N 0.544 120.909 120.400 -0.058 0.000 2.167 386 K HA -0.047 4.272 4.320 -0.001 0.000 0.203 386 K C 1.768 178.319 176.600 -0.083 0.000 1.052 386 K CA 0.828 57.077 56.287 -0.062 0.000 0.956 386 K CB 0.015 32.450 32.500 -0.108 0.000 0.735 386 K HN 0.254 nan 8.250 nan 0.000 0.451 387 N N 0.866 119.481 118.700 -0.142 0.000 2.270 387 N HA -0.140 4.599 4.740 -0.001 0.000 0.181 387 N C 1.671 177.271 175.510 0.150 0.000 1.016 387 N CA 0.745 53.706 53.050 -0.147 0.000 0.870 387 N CB -0.094 38.267 38.487 -0.209 0.000 0.979 387 N HN 0.170 nan 8.380 nan 0.000 0.431 388 R N 1.410 121.941 120.500 0.052 0.000 2.070 388 R HA -0.099 4.241 4.340 -0.001 0.000 0.233 388 R C 0.669 177.122 176.300 0.256 0.000 1.137 388 R CA 1.473 57.630 56.100 0.094 0.000 0.945 388 R CB -0.180 30.068 30.300 -0.085 0.000 0.845 388 R HN 0.108 nan 8.270 nan 0.000 0.430 389 D N -0.563 119.955 120.400 0.197 0.000 2.178 389 D HA -0.085 4.554 4.640 -0.001 0.000 0.201 389 D C 1.719 178.164 176.300 0.242 0.000 0.980 389 D CA 1.352 55.488 54.000 0.228 0.000 0.842 389 D CB -0.436 40.470 40.800 0.176 0.000 0.948 389 D HN 0.520 nan 8.370 nan 0.000 0.472 390 G N 0.810 109.759 108.800 0.249 0.000 2.402 390 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.216 390 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.216 390 G C 1.571 176.651 174.900 0.301 0.000 1.162 390 G CA 0.176 45.474 45.100 0.329 0.000 0.777 390 G HN 0.181 nan 8.290 nan 0.000 0.539 391 L N 0.842 122.285 121.223 0.367 0.000 2.093 391 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 391 L C 2.231 179.169 176.870 0.114 0.000 1.085 391 L CA 1.637 56.583 54.840 0.176 0.000 0.755 391 L CB -0.430 41.809 42.059 0.299 0.000 0.904 391 L HN 0.180 nan 8.230 nan 0.000 0.435 392 D N -0.716 119.813 120.400 0.215 0.000 2.117 392 D HA -0.199 4.441 4.640 -0.001 0.000 0.198 392 D C 1.489 177.869 176.300 0.134 0.000 0.982 392 D CA 1.147 55.266 54.000 0.199 0.000 0.828 392 D CB 0.225 41.201 40.800 0.293 0.000 0.967 392 D HN 0.318 nan 8.370 nan 0.000 0.464 393 D N 0.328 120.812 120.400 0.141 0.000 2.117 393 D HA -0.097 4.543 4.640 -0.001 0.000 0.197 393 D C 2.347 178.641 176.300 -0.010 0.000 0.987 393 D CA 0.363 54.451 54.000 0.148 0.000 0.829 393 D CB -0.237 40.747 40.800 0.307 0.000 0.961 393 D HN 0.356 nan 8.370 nan 0.000 0.460 394 I N 0.597 121.003 120.570 -0.273 0.000 2.118 394 I HA -0.275 3.894 4.170 -0.001 0.000 0.241 394 I C 2.442 178.414 176.117 -0.242 0.000 1.070 394 I CA 0.831 61.889 61.300 -0.403 0.000 1.327 394 I CB -0.267 37.474 38.000 -0.432 0.000 1.034 394 I HN -0.095 nan 8.210 nan 0.000 0.405 395 V N 0.954 120.781 119.914 -0.146 0.000 2.332 395 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 395 V C 2.522 178.508 176.094 -0.181 0.000 1.055 395 V CA 2.233 64.457 62.300 -0.127 0.000 1.038 395 V CB -1.504 30.314 31.823 -0.009 0.000 0.651 395 V HN 0.606 nan 8.190 nan 0.000 0.450 396 G N -0.550 108.204 108.800 -0.077 0.000 2.394 396 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.215 396 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.215 396 G C 1.228 176.053 174.900 -0.124 0.000 1.165 396 G CA 0.869 45.937 45.100 -0.054 0.000 0.784 396 G HN 0.487 nan 8.290 nan 0.000 0.535 397 D N -0.037 120.294 120.400 -0.115 0.000 2.084 397 D HA -0.111 4.529 4.640 -0.001 0.000 0.194 397 D C 2.100 178.112 176.300 -0.481 0.000 0.990 397 D CA 1.394 55.303 54.000 -0.151 0.000 0.826 397 D CB -0.516 40.323 40.800 0.065 0.000 0.971 397 D HN 0.430 nan 8.370 nan 0.000 0.453 398 H N 0.632 119.104 119.070 -0.996 0.000 2.389 398 H HA 0.033 4.589 4.556 -0.001 0.000 0.299 398 H C 1.474 176.426 175.328 -0.628 0.000 1.081 398 H CA 1.651 56.978 56.048 -1.202 0.000 1.345 398 H CB 0.083 28.903 29.762 -1.569 0.000 1.393 398 H HN 0.009 nan 8.280 nan 0.000 0.520 399 N N -0.800 117.447 118.700 -0.756 0.000 2.409 399 N HA 0.001 4.741 4.740 -0.001 0.000 0.174 399 N C 1.147 176.405 175.510 -0.419 0.000 1.037 399 N CA 1.088 53.654 53.050 -0.806 0.000 0.898 399 N CB 1.054 38.655 38.487 -1.476 0.000 1.010 399 N HN 0.278 nan 8.380 nan 0.000 0.445 400 V N 0.388 120.131 119.914 -0.284 0.000 3.161 400 V HA 0.162 4.282 4.120 -0.001 0.000 0.221 400 V C 2.039 178.109 176.094 -0.040 0.000 1.296 400 V CA -0.007 62.252 62.300 -0.068 0.000 1.306 400 V CB 0.172 32.017 31.823 0.037 0.000 1.171 400 V HN -0.058 nan 8.190 nan 0.000 0.513 401 I N 1.136 121.692 120.570 -0.023 0.000 2.163 401 I HA -0.255 3.915 4.170 -0.001 0.000 0.240 401 I C 2.898 179.026 176.117 0.019 0.000 1.081 401 I CA 2.077 63.392 61.300 0.025 0.000 1.353 401 I CB -0.589 37.462 38.000 0.086 0.000 1.054 401 I HN 0.602 nan 8.210 nan 0.000 0.407 402 C N 1.816 121.118 119.300 0.003 0.000 2.425 402 C HA -0.024 4.436 4.460 -0.001 0.000 0.277 402 C C 0.621 175.642 174.990 0.052 0.000 1.280 402 C CA 1.279 60.340 59.018 0.073 0.000 1.744 402 C CB -1.980 25.846 27.740 0.145 0.000 1.989 402 C HN 0.282 nan 8.230 nan 0.000 0.491 403 P HA -0.046 nan 4.420 nan 0.000 0.217 403 P C 1.793 179.114 177.300 0.036 0.000 1.151 403 P CA 0.742 63.816 63.100 -0.043 0.000 0.828 403 P CB -0.160 31.427 31.700 -0.188 0.000 0.788 404 L N -1.801 119.428 121.223 0.010 0.000 2.156 404 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 404 L C 2.022 178.943 176.870 0.084 0.000 1.095 404 L CA 1.430 56.291 54.840 0.035 0.000 0.770 404 L CB -0.463 41.590 42.059 -0.011 0.000 0.914 404 L HN -0.104 nan 8.230 nan 0.000 0.439 405 M N -1.158 118.484 119.600 0.070 0.000 2.229 405 M HA -0.201 4.279 4.480 -0.001 0.000 0.264 405 M C 2.174 178.551 176.300 0.129 0.000 1.063 405 M CA 1.507 56.848 55.300 0.070 0.000 1.114 405 M CB -1.421 31.231 32.600 0.087 0.000 1.387 405 M HN 0.400 nan 8.290 nan 0.000 0.420 406 H N -0.361 118.755 119.070 0.078 0.000 2.389 406 H HA -0.140 4.416 4.556 -0.001 0.000 0.299 406 H C 1.798 177.185 175.328 0.097 0.000 1.081 406 H CA 1.748 57.848 56.048 0.087 0.000 1.345 406 H CB -0.187 29.620 29.762 0.075 0.000 1.393 406 H HN 0.234 nan 8.280 nan 0.000 0.520 407 F N -0.003 119.927 119.950 -0.034 0.000 2.084 407 F HA -0.154 4.373 4.527 -0.001 0.000 0.296 407 F C 2.519 178.260 175.800 -0.097 0.000 1.111 407 F CA 1.500 59.437 58.000 -0.105 0.000 1.224 407 F CB -1.000 37.935 39.000 -0.108 0.000 0.991 407 F HN 0.111 nan 8.300 nan 0.000 0.471 408 V N 1.210 121.060 119.914 -0.106 0.000 2.392 408 V HA -0.302 3.817 4.120 -0.001 0.000 0.249 408 V C 2.162 178.162 176.094 -0.156 0.000 1.059 408 V CA 2.639 64.787 62.300 -0.255 0.000 1.051 408 V CB -0.680 30.920 31.823 -0.372 0.000 0.658 408 V HN 0.469 nan 8.190 nan 0.000 0.455 409 N N -0.212 118.458 118.700 -0.050 0.000 2.216 409 N HA -0.079 4.661 4.740 -0.001 0.000 0.183 409 N C 1.801 177.306 175.510 -0.009 0.000 1.017 409 N CA 1.039 54.136 53.050 0.078 0.000 0.861 409 N CB -0.189 38.360 38.487 0.103 0.000 0.986 409 N HN 0.441 nan 8.380 nan 0.000 0.428 410 K N 0.287 120.600 120.400 -0.146 0.000 2.103 410 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 410 K C 1.881 178.480 176.600 -0.000 0.000 1.052 410 K CA 0.541 56.767 56.287 -0.101 0.000 0.945 410 K CB -0.592 31.776 32.500 -0.221 0.000 0.722 410 K HN 0.280 nan 8.250 nan 0.000 0.443 411 Y N 2.185 122.268 120.300 -0.363 0.000 2.163 411 Y HA -0.189 4.361 4.550 -0.001 0.000 0.288 411 Y C 2.195 178.112 175.900 0.029 0.000 1.136 411 Y CA 1.838 59.727 58.100 -0.352 0.000 1.147 411 Y CB -0.390 37.542 38.460 -0.880 0.000 0.987 411 Y HN -0.008 nan 8.280 nan 0.000 0.509 412 T N 0.736 115.365 114.554 0.125 0.000 2.869 412 T HA -0.244 4.105 4.350 -0.001 0.000 0.270 412 T C 1.804 176.526 174.700 0.036 0.000 1.082 412 T CA 1.691 63.880 62.100 0.148 0.000 1.123 412 T CB -0.289 68.752 68.868 0.288 0.000 0.856 412 T HN 0.313 nan 8.240 nan 0.000 0.499 413 K N -0.249 120.155 120.400 0.007 0.000 2.288 413 K HA -0.015 4.305 4.320 -0.001 0.000 0.201 413 K C 0.840 177.198 176.600 -0.403 0.000 1.048 413 K CA 1.105 57.276 56.287 -0.193 0.000 0.956 413 K CB 0.006 32.358 32.500 -0.247 0.000 0.746 413 K HN 0.381 nan 8.250 nan 0.000 0.461 414 F N -0.707 119.169 119.950 -0.123 0.000 2.784 414 F HA 0.297 4.823 4.527 -0.001 0.000 0.323 414 F C 1.251 176.916 175.800 -0.225 0.000 1.085 414 F CA -0.397 57.493 58.000 -0.185 0.000 1.196 414 F CB 0.199 39.026 39.000 -0.289 0.000 1.053 414 F HN -0.080 nan 8.300 nan 0.000 0.578 415 G N 0.103 108.819 108.800 -0.141 0.000 2.653 415 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.265 415 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.265 415 G C 0.346 175.280 174.900 0.057 0.000 1.237 415 G CA -0.332 44.706 45.100 -0.103 0.000 0.946 415 G HN 0.284 nan 8.290 nan 0.000 0.522 416 N N -0.346 118.437 118.700 0.137 0.000 2.328 416 N HA 0.294 5.034 4.740 -0.001 0.000 0.247 416 N C 0.227 175.806 175.510 0.115 0.000 1.165 416 N CA 0.431 53.541 53.050 0.100 0.000 0.873 416 N CB 0.282 38.822 38.487 0.088 0.000 1.125 416 N HN 0.904 nan 8.380 nan 0.000 0.513 417 G N 0.674 109.553 108.800 0.131 0.000 2.380 417 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.250 417 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.250 417 G C -1.253 173.670 174.900 0.039 0.000 1.578 417 G CA -0.772 44.361 45.100 0.056 0.000 0.974 417 G HN 0.044 nan 8.290 nan 0.000 0.680 418 T N 1.662 116.128 114.554 -0.147 0.000 2.841 418 T HA 0.699 5.048 4.350 -0.001 0.000 0.283 418 T C -1.215 173.211 174.700 -0.457 0.000 1.000 418 T CA -0.351 61.661 62.100 -0.146 0.000 0.977 418 T CB 1.403 70.283 68.868 0.019 0.000 0.979 418 T HN 0.425 nan 8.240 nan 0.000 0.446 419 Y N 1.997 122.192 120.300 -0.175 0.000 2.326 419 Y HA 0.641 5.190 4.550 -0.001 0.000 0.329 419 Y C -0.558 175.352 175.900 0.016 0.000 0.973 419 Y CA -1.122 56.809 58.100 -0.282 0.000 1.162 419 Y CB 1.482 39.342 38.460 -1.000 0.000 1.147 419 Y HN 0.422 nan 8.280 nan 0.000 0.456 420 L N 5.857 127.410 121.223 0.549 0.000 2.346 420 L HA 0.665 5.005 4.340 -0.001 0.000 0.274 420 L C -1.253 176.086 176.870 0.782 0.000 1.007 420 L CA -1.130 54.001 54.840 0.486 0.000 0.818 420 L CB 0.941 43.105 42.059 0.175 0.000 1.284 420 L HN 0.534 nan 8.230 nan 0.000 0.424 421 Y N 2.917 123.532 120.300 0.526 0.000 2.605 421 Y HA 0.751 5.301 4.550 -0.001 0.000 0.343 421 Y C -1.864 174.322 175.900 0.477 0.000 1.036 421 Y CA -1.932 56.432 58.100 0.439 0.000 1.065 421 Y CB 1.381 40.035 38.460 0.323 0.000 1.288 421 Y HN 0.524 nan 8.280 nan 0.000 0.481 422 F N 3.795 124.063 119.950 0.529 0.000 2.577 422 F HA 0.469 4.996 4.527 -0.001 0.000 0.344 422 F C -1.976 174.136 175.800 0.520 0.000 1.145 422 F CA -1.817 56.419 58.000 0.394 0.000 0.996 422 F CB 0.874 40.112 39.000 0.397 0.000 1.248 422 F HN 0.561 nan 8.300 nan 0.000 0.447 423 F N 8.036 128.062 119.950 0.126 0.000 2.413 423 F HA 0.309 4.835 4.527 -0.001 0.000 0.359 423 F C 0.226 175.901 175.800 -0.207 0.000 1.122 423 F CA -0.377 57.655 58.000 0.054 0.000 1.160 423 F CB 0.468 39.573 39.000 0.174 0.000 1.146 423 F HN 0.519 nan 8.300 nan 0.000 0.514 424 N N 3.651 122.020 118.700 -0.552 0.000 2.553 424 N HA 0.088 4.828 4.740 -0.001 0.000 0.298 424 N C -1.275 174.006 175.510 -0.382 0.000 1.596 424 N CA -0.476 52.335 53.050 -0.398 0.000 0.910 424 N CB -0.488 37.937 38.487 -0.104 0.000 1.336 424 N HN 0.617 nan 8.380 nan 0.000 0.497 425 H N 0.225 118.781 119.070 -0.857 0.000 2.511 425 H HA 0.440 4.996 4.556 -0.001 0.000 0.328 425 H C -0.697 174.475 175.328 -0.260 0.000 1.044 425 H CA -0.653 55.076 56.048 -0.532 0.000 1.212 425 H CB 1.140 30.523 29.762 -0.632 0.000 1.428 425 H HN 0.115 nan 8.280 nan 0.000 0.483 426 R N 4.145 124.237 120.500 -0.681 0.000 2.221 426 R HA 0.528 4.868 4.340 -0.001 0.000 0.327 426 R C -0.521 175.492 176.300 -0.480 0.000 1.033 426 R CA -0.578 55.299 56.100 -0.371 0.000 0.887 426 R CB 0.361 30.547 30.300 -0.189 0.000 1.057 426 R HN 0.808 nan 8.270 nan 0.000 0.455 427 A N 2.923 125.736 122.820 -0.012 0.000 2.540 427 A HA -0.000 4.319 4.320 -0.001 0.000 0.239 427 A C 1.280 178.927 177.584 0.105 0.000 1.061 427 A CA 0.477 52.679 52.037 0.274 0.000 0.758 427 A CB 0.334 19.642 19.000 0.514 0.000 0.991 427 A HN 1.000 nan 8.150 nan 0.000 0.502 428 S N 1.318 117.107 115.700 0.149 0.000 2.474 428 S HA -0.154 4.315 4.470 -0.001 0.000 0.235 428 S C 0.847 175.425 174.600 -0.036 0.000 0.997 428 S CA 1.081 59.311 58.200 0.050 0.000 0.949 428 S CB -0.461 62.788 63.200 0.082 0.000 0.766 428 S HN 0.919 nan 8.310 nan 0.000 0.517 429 N N 0.702 119.339 118.700 -0.105 0.000 2.251 429 N HA 0.246 4.986 4.740 -0.001 0.000 0.217 429 N C -0.131 175.297 175.510 -0.136 0.000 1.124 429 N CA -0.334 52.604 53.050 -0.186 0.000 0.843 429 N CB -0.511 37.740 38.487 -0.394 0.000 1.024 429 N HN 0.373 nan 8.380 nan 0.000 0.501 430 L N 1.191 122.376 121.223 -0.064 0.000 2.453 430 L HA 0.028 4.367 4.340 -0.001 0.000 0.272 430 L C 1.454 178.268 176.870 -0.094 0.000 1.182 430 L CA -0.378 54.431 54.840 -0.053 0.000 0.858 430 L CB 1.077 43.118 42.059 -0.030 0.000 1.120 430 L HN 0.140 nan 8.230 nan 0.000 0.474 431 V N -0.618 119.186 119.914 -0.184 0.000 3.354 431 V HA 0.029 4.149 4.120 -0.001 0.000 0.258 431 V C 0.541 176.557 176.094 -0.130 0.000 1.159 431 V CA -0.419 61.739 62.300 -0.236 0.000 1.125 431 V CB -0.826 30.704 31.823 -0.488 0.000 0.774 431 V HN 0.591 nan 8.190 nan 0.000 0.464 432 W N 2.126 123.414 121.300 -0.020 0.000 2.150 432 W HA 0.484 5.144 4.660 -0.001 0.000 0.341 432 W C -1.591 174.825 176.519 -0.173 0.000 1.276 432 W CA -1.949 55.357 57.345 -0.064 0.000 1.238 432 W CB -0.326 29.023 29.460 -0.185 0.000 1.128 432 W HN 0.018 nan 8.180 nan 0.000 0.581 433 P HA -0.076 nan 4.420 nan 0.000 0.270 433 P C 0.367 177.553 177.300 -0.189 0.000 1.227 433 P CA 0.328 63.368 63.100 -0.099 0.000 0.788 433 P CB 0.938 32.584 31.700 -0.090 0.000 0.926 434 E N 0.898 121.061 120.200 -0.063 0.000 2.072 434 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 434 E C 1.923 178.516 176.600 -0.012 0.000 0.985 434 E CA 1.307 57.694 56.400 -0.022 0.000 0.801 434 E CB -0.639 29.094 29.700 0.054 0.000 0.750 434 E HN 0.714 nan 8.360 nan 0.000 0.452 435 W N 0.400 121.741 121.300 0.068 0.000 2.424 435 W HA -0.083 4.576 4.660 -0.001 0.000 0.264 435 W C 1.373 177.954 176.519 0.103 0.000 1.229 435 W CA 0.458 57.852 57.345 0.083 0.000 1.208 435 W CB -0.854 28.657 29.460 0.084 0.000 1.127 435 W HN -0.004 nan 8.180 nan 0.000 0.588 436 M N 1.122 120.364 119.600 -0.598 0.000 2.506 436 M HA 0.145 4.625 4.480 -0.001 0.000 0.260 436 M C 1.787 177.992 176.300 -0.159 0.000 1.104 436 M CA 1.373 56.341 55.300 -0.553 0.000 1.112 436 M CB -0.555 31.545 32.600 -0.833 0.000 1.401 436 M HN 0.133 nan 8.290 nan 0.000 0.473 437 G N 0.658 109.408 108.800 -0.082 0.000 2.596 437 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.295 437 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.295 437 G C -0.152 174.740 174.900 -0.012 0.000 1.240 437 G CA -0.211 44.882 45.100 -0.011 0.000 0.985 437 G HN 0.206 nan 8.290 nan 0.000 0.555 438 V N 2.080 122.014 119.914 0.034 0.000 2.326 438 V HA 0.329 4.449 4.120 -0.001 0.000 0.249 438 V C 1.186 177.376 176.094 0.161 0.000 1.114 438 V CA 0.077 62.431 62.300 0.091 0.000 1.028 438 V CB -0.344 31.517 31.823 0.063 0.000 1.170 438 V HN 0.511 nan 8.190 nan 0.000 0.494 439 I N 3.008 123.665 120.570 0.146 0.000 2.754 439 I HA 0.086 4.255 4.170 -0.001 0.000 0.285 439 I C 0.986 177.342 176.117 0.397 0.000 1.166 439 I CA -0.396 61.031 61.300 0.211 0.000 1.417 439 I CB 0.149 38.173 38.000 0.041 0.000 1.382 439 I HN 0.561 nan 8.210 nan 0.000 0.588 440 H N 4.478 123.682 119.070 0.222 0.000 3.167 440 H HA 0.094 4.649 4.556 -0.001 0.000 0.306 440 H C 1.086 176.448 175.328 0.057 0.000 0.965 440 H CA 0.992 57.120 56.048 0.132 0.000 1.408 440 H CB 0.181 29.982 29.762 0.066 0.000 1.406 440 H HN 0.771 nan 8.280 nan 0.000 0.576 441 G N 3.675 112.291 108.800 -0.306 0.000 2.184 441 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.264 441 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.264 441 G C 0.513 175.364 174.900 -0.083 0.000 0.975 441 G CA 0.580 45.484 45.100 -0.326 0.000 0.642 441 G HN 0.669 nan 8.290 nan 0.000 0.536 442 Y N 0.939 121.342 120.300 0.173 0.000 2.532 442 Y HA 0.254 4.803 4.550 -0.001 0.000 0.283 442 Y C 2.194 178.231 175.900 0.229 0.000 1.181 442 Y CA 0.787 59.064 58.100 0.295 0.000 1.256 442 Y CB 0.489 39.162 38.460 0.355 0.000 1.112 442 Y HN 0.491 nan 8.280 nan 0.000 0.521 443 E N -0.292 119.920 120.200 0.019 0.000 2.452 443 E HA -0.020 4.329 4.350 -0.001 0.000 0.197 443 E C 1.600 178.147 176.600 -0.089 0.000 1.022 443 E CA 0.494 56.605 56.400 -0.483 0.000 0.890 443 E CB -0.384 28.744 29.700 -0.952 0.000 0.918 443 E HN 0.513 nan 8.360 nan 0.000 0.496 444 I N 2.715 123.335 120.570 0.083 0.000 2.163 444 I HA -0.310 3.859 4.170 -0.001 0.000 0.243 444 I C 2.599 178.808 176.117 0.154 0.000 1.085 444 I CA 2.166 63.574 61.300 0.180 0.000 1.347 444 I CB -0.397 37.761 38.000 0.264 0.000 1.044 444 I HN 0.219 nan 8.210 nan 0.000 0.408 445 E N 0.754 121.002 120.200 0.080 0.000 2.209 445 E HA -0.238 4.112 4.350 -0.001 0.000 0.196 445 E C 1.974 178.446 176.600 -0.213 0.000 0.993 445 E CA 1.475 57.831 56.400 -0.074 0.000 0.819 445 E CB -0.483 29.159 29.700 -0.097 0.000 0.745 445 E HN 0.441 nan 8.360 nan 0.000 0.477 446 F N 0.977 120.838 119.950 -0.149 0.000 2.335 446 F HA -0.003 4.524 4.527 -0.001 0.000 0.296 446 F C 2.313 177.944 175.800 -0.282 0.000 1.091 446 F CA 0.425 58.293 58.000 -0.220 0.000 1.399 446 F CB -0.099 38.798 39.000 -0.173 0.000 1.067 446 F HN -0.134 nan 8.300 nan 0.000 0.520 447 V N -0.975 118.867 119.914 -0.121 0.000 2.427 447 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 447 V C 1.693 177.608 176.094 -0.298 0.000 1.051 447 V CA 1.621 63.715 62.300 -0.343 0.000 1.048 447 V CB -0.631 31.005 31.823 -0.311 0.000 0.666 447 V HN 0.201 nan 8.190 nan 0.000 0.456 448 F N 0.450 120.287 119.950 -0.188 0.000 2.797 448 F HA 0.399 4.925 4.527 -0.001 0.000 0.302 448 F C 1.824 177.537 175.800 -0.146 0.000 1.130 448 F CA 0.680 58.592 58.000 -0.147 0.000 1.387 448 F CB -0.242 38.658 39.000 -0.166 0.000 1.107 448 F HN 0.264 nan 8.300 nan 0.000 0.577 449 G N 0.153 108.881 108.800 -0.120 0.000 2.160 449 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.251 449 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.251 449 G C 1.102 175.688 174.900 -0.524 0.000 1.008 449 G CA 0.335 45.280 45.100 -0.259 0.000 0.724 449 G HN 0.248 nan 8.290 nan 0.000 0.514 450 L N -0.234 120.653 121.223 -0.559 0.000 2.187 450 L HA -0.058 4.282 4.340 -0.001 0.000 0.213 450 L C 0.185 176.626 176.870 -0.715 0.000 1.100 450 L CA 2.438 56.883 54.840 -0.657 0.000 0.765 450 L CB -1.894 39.916 42.059 -0.416 0.000 0.904 450 L HN 0.217 nan 8.230 nan 0.000 0.437 451 P HA -0.082 nan 4.420 nan 0.000 0.230 451 P C 1.886 178.945 177.300 -0.401 0.000 1.158 451 P CA 0.776 63.302 63.100 -0.957 0.000 0.769 451 P CB 0.093 31.157 31.700 -1.060 0.000 0.807 452 L N -1.740 119.257 121.223 -0.377 0.000 2.478 452 L HA 0.037 4.377 4.340 -0.001 0.000 0.223 452 L C 1.063 177.828 176.870 -0.175 0.000 1.140 452 L CA 0.311 55.018 54.840 -0.221 0.000 0.842 452 L CB -0.285 41.670 42.059 -0.172 0.000 0.953 452 L HN -0.115 nan 8.230 nan 0.000 0.452 453 V N 1.511 121.282 119.914 -0.238 0.000 2.348 453 V HA 0.125 4.245 4.120 -0.001 0.000 0.270 453 V C 1.267 177.328 176.094 -0.055 0.000 1.037 453 V CA -0.603 61.615 62.300 -0.135 0.000 0.872 453 V CB 0.927 32.645 31.823 -0.175 0.000 1.002 453 V HN 0.177 nan 8.190 nan 0.000 0.464 454 K N 4.761 125.143 120.400 -0.031 0.000 2.052 454 K HA -0.198 4.121 4.320 -0.001 0.000 0.215 454 K C 1.691 178.284 176.600 -0.013 0.000 1.053 454 K CA 2.120 58.401 56.287 -0.011 0.000 0.934 454 K CB -0.425 32.067 32.500 -0.014 0.000 0.717 454 K HN 0.919 nan 8.250 nan 0.000 0.450 455 E N 1.252 121.439 120.200 -0.022 0.000 2.393 455 E HA -0.161 4.189 4.350 -0.001 0.000 0.201 455 E C 1.937 178.509 176.600 -0.046 0.000 1.025 455 E CA 0.750 57.130 56.400 -0.032 0.000 0.856 455 E CB -0.598 29.084 29.700 -0.030 0.000 0.771 455 E HN 0.395 nan 8.360 nan 0.000 0.526 456 L N 0.282 121.487 121.223 -0.030 0.000 2.509 456 L HA 0.050 4.389 4.340 -0.001 0.000 0.222 456 L C -0.154 176.617 176.870 -0.165 0.000 1.123 456 L CA 0.013 54.819 54.840 -0.058 0.000 0.856 456 L CB -0.414 41.680 42.059 0.058 0.000 0.985 456 L HN -0.010 nan 8.230 nan 0.000 0.456 457 N N -1.049 117.593 118.700 -0.096 0.000 2.814 457 N HA -0.198 4.541 4.740 -0.001 0.000 0.247 457 N C -0.747 174.642 175.510 -0.201 0.000 1.089 457 N CA 0.730 53.698 53.050 -0.137 0.000 0.682 457 N CB -1.791 36.595 38.487 -0.169 0.000 0.970 457 N HN 0.267 nan 8.380 nan 0.000 0.554 458 Y N 0.229 120.491 120.300 -0.064 0.000 2.480 458 Y HA 0.450 5.000 4.550 -0.001 0.000 0.323 458 Y C 1.890 177.782 175.900 -0.013 0.000 1.267 458 Y CA -0.072 58.004 58.100 -0.039 0.000 1.336 458 Y CB 0.590 38.996 38.460 -0.091 0.000 1.361 458 Y HN 0.122 nan 8.280 nan 0.000 0.518 459 T N -2.185 112.490 114.554 0.201 0.000 2.810 459 T HA 0.488 4.837 4.350 -0.001 0.000 0.277 459 T C 1.111 175.867 174.700 0.093 0.000 0.973 459 T CA -0.227 61.944 62.100 0.118 0.000 0.949 459 T CB 1.086 70.026 68.868 0.120 0.000 1.075 459 T HN 0.722 nan 8.240 nan 0.000 0.537 460 A N 0.705 123.558 122.820 0.055 0.000 1.898 460 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 460 A C 2.315 179.913 177.584 0.025 0.000 1.181 460 A CA 1.200 53.255 52.037 0.030 0.000 0.620 460 A CB -0.790 18.221 19.000 0.018 0.000 0.819 460 A HN 0.930 nan 8.150 nan 0.000 0.442 461 E N 0.744 120.962 120.200 0.030 0.000 2.150 461 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 461 E C 1.458 178.064 176.600 0.010 0.000 0.985 461 E CA 1.320 57.723 56.400 0.005 0.000 0.814 461 E CB -0.605 29.090 29.700 -0.009 0.000 0.752 461 E HN 0.788 nan 8.360 nan 0.000 0.466 462 E N 0.973 121.221 120.200 0.081 0.000 2.152 462 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 462 E C 2.081 178.735 176.600 0.089 0.000 0.983 462 E CA 0.763 57.279 56.400 0.194 0.000 0.818 462 E CB -0.006 29.914 29.700 0.366 0.000 0.758 462 E HN 0.388 nan 8.360 nan 0.000 0.467 463 E N 0.730 120.932 120.200 0.004 0.000 2.107 463 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 463 E C 2.020 178.592 176.600 -0.048 0.000 0.982 463 E CA 0.804 57.160 56.400 -0.072 0.000 0.809 463 E CB 0.013 29.679 29.700 -0.057 0.000 0.756 463 E HN 0.192 nan 8.360 nan 0.000 0.459 464 A N 1.147 123.953 122.820 -0.024 0.000 1.930 464 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 464 A C 2.107 179.670 177.584 -0.036 0.000 1.175 464 A CA 1.085 53.100 52.037 -0.037 0.000 0.627 464 A CB -0.557 18.424 19.000 -0.033 0.000 0.815 464 A HN 0.373 nan 8.150 nan 0.000 0.443 465 L N -0.324 120.900 121.223 0.001 0.000 2.083 465 L HA -0.074 4.266 4.340 -0.001 0.000 0.209 465 L C 2.528 179.436 176.870 0.063 0.000 1.083 465 L CA 2.478 57.326 54.840 0.014 0.000 0.752 465 L CB -0.774 41.287 42.059 0.004 0.000 0.899 465 L HN 0.322 nan 8.230 nan 0.000 0.433 466 S N -0.739 115.034 115.700 0.121 0.000 2.368 466 S HA -0.178 4.291 4.470 -0.001 0.000 0.225 466 S C 2.169 176.727 174.600 -0.069 0.000 1.030 466 S CA 1.247 59.474 58.200 0.046 0.000 0.999 466 S CB -0.182 62.940 63.200 -0.129 0.000 0.844 466 S HN 0.530 nan 8.310 nan 0.000 0.459 467 R N 0.277 120.728 120.500 -0.080 0.000 2.096 467 R HA 0.052 4.392 4.340 -0.001 0.000 0.235 467 R C 2.726 178.956 176.300 -0.116 0.000 1.127 467 R CA 1.312 57.357 56.100 -0.092 0.000 0.968 467 R CB -0.224 30.021 30.300 -0.092 0.000 0.861 467 R HN 0.352 nan 8.270 nan 0.000 0.440 468 R N 0.409 120.812 120.500 -0.163 0.000 2.073 468 R HA -0.074 4.266 4.340 -0.001 0.000 0.234 468 R C 2.295 178.353 176.300 -0.402 0.000 1.134 468 R CA 1.437 57.338 56.100 -0.331 0.000 0.952 468 R CB -0.295 29.813 30.300 -0.319 0.000 0.850 468 R HN 0.205 nan 8.270 nan 0.000 0.433 469 I N 0.383 120.836 120.570 -0.196 0.000 2.226 469 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 469 I C 2.443 178.467 176.117 -0.155 0.000 1.100 469 I CA 1.362 62.567 61.300 -0.159 0.000 1.374 469 I CB -0.171 37.608 38.000 -0.368 0.000 1.057 469 I HN 0.231 nan 8.210 nan 0.000 0.413 470 M N -0.549 118.956 119.600 -0.159 0.000 2.159 470 M HA -0.262 4.218 4.480 -0.001 0.000 0.263 470 M C 2.382 178.721 176.300 0.064 0.000 1.063 470 M CA 1.758 57.004 55.300 -0.090 0.000 1.110 470 M CB -0.583 31.967 32.600 -0.084 0.000 1.374 470 M HN 0.272 nan 8.290 nan 0.000 0.411 471 H N -0.666 118.378 119.070 -0.043 0.000 2.428 471 H HA -0.115 4.440 4.556 -0.001 0.000 0.296 471 H C 1.461 176.889 175.328 0.166 0.000 1.062 471 H CA 1.728 57.778 56.048 0.002 0.000 1.350 471 H CB 0.132 29.841 29.762 -0.089 0.000 1.403 471 H HN 0.270 nan 8.280 nan 0.000 0.533 472 Y N -0.833 119.609 120.300 0.237 0.000 2.133 472 Y HA -0.207 4.342 4.550 -0.001 0.000 0.287 472 Y C 2.497 178.598 175.900 0.336 0.000 1.134 472 Y CA 0.990 59.282 58.100 0.320 0.000 1.133 472 Y CB -1.132 37.722 38.460 0.657 0.000 0.987 472 Y HN 0.336 nan 8.280 nan 0.000 0.502 473 W N -0.363 121.034 121.300 0.163 0.000 2.338 473 W HA -0.250 4.410 4.660 -0.001 0.000 0.304 473 W C 2.537 179.048 176.519 -0.014 0.000 1.212 473 W CA 1.105 58.473 57.345 0.038 0.000 1.264 473 W CB -0.418 28.998 29.460 -0.072 0.000 1.142 473 W HN 0.068 nan 8.180 nan 0.000 0.512 474 A N -0.214 122.710 122.820 0.174 0.000 1.929 474 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 474 A C 1.791 179.349 177.584 -0.044 0.000 1.176 474 A CA 1.997 54.046 52.037 0.020 0.000 0.628 474 A CB -1.125 17.873 19.000 -0.003 0.000 0.816 474 A HN 0.172 nan 8.150 nan 0.000 0.444 475 T N -0.841 113.651 114.554 -0.103 0.000 2.915 475 T HA -0.068 4.282 4.350 -0.001 0.000 0.269 475 T C 1.515 176.170 174.700 -0.074 0.000 1.071 475 T CA 1.399 63.402 62.100 -0.162 0.000 1.132 475 T CB -0.316 68.379 68.868 -0.290 0.000 0.878 475 T HN 0.513 nan 8.240 nan 0.000 0.479 476 F N 2.128 121.976 119.950 -0.170 0.000 2.234 476 F HA 0.254 4.781 4.527 -0.001 0.000 0.296 476 F C 2.348 178.056 175.800 -0.153 0.000 1.089 476 F CA 0.605 58.471 58.000 -0.223 0.000 1.343 476 F CB -0.564 38.239 39.000 -0.328 0.000 1.040 476 F HN 0.117 nan 8.300 nan 0.000 0.498 477 A N 0.546 123.242 122.820 -0.206 0.000 1.933 477 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 477 A C 2.187 179.622 177.584 -0.248 0.000 1.175 477 A CA 1.925 53.806 52.037 -0.261 0.000 0.628 477 A CB -0.590 18.344 19.000 -0.111 0.000 0.814 477 A HN 0.491 nan 8.150 nan 0.000 0.444 478 K N -1.182 119.109 120.400 -0.182 0.000 2.137 478 K HA -0.031 4.289 4.320 -0.001 0.000 0.202 478 K C 1.930 178.439 176.600 -0.152 0.000 1.052 478 K CA 1.600 57.807 56.287 -0.135 0.000 0.961 478 K CB -0.050 32.397 32.500 -0.089 0.000 0.741 478 K HN 0.657 nan 8.250 nan 0.000 0.452 479 T N -4.319 110.122 114.554 -0.188 0.000 2.959 479 T HA 0.242 4.591 4.350 -0.001 0.000 0.254 479 T C 1.323 175.907 174.700 -0.193 0.000 1.003 479 T CA 0.405 62.413 62.100 -0.155 0.000 0.950 479 T CB 0.971 69.778 68.868 -0.101 0.000 1.090 479 T HN 0.267 nan 8.240 nan 0.000 0.503 480 G N 1.456 110.029 108.800 -0.379 0.000 2.157 480 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.239 480 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.239 480 G C -0.204 174.698 174.900 0.003 0.000 0.982 480 G CA 0.020 44.890 45.100 -0.382 0.000 0.650 480 G HN 0.855 nan 8.290 nan 0.000 0.527 481 N N -0.275 118.401 118.700 -0.040 0.000 2.478 481 N HA 0.431 5.171 4.740 -0.001 0.000 0.291 481 N C -1.788 173.589 175.510 -0.221 0.000 1.090 481 N CA -1.479 51.485 53.050 -0.142 0.000 0.911 481 N CB 2.455 40.928 38.487 -0.024 0.000 1.546 481 N HN -0.069 nan 8.380 nan 0.000 0.500 482 P HA -0.028 nan 4.420 nan 0.000 0.230 482 P C -0.537 176.779 177.300 0.026 0.000 1.158 482 P CA 0.561 63.506 63.100 -0.257 0.000 0.769 482 P CB 0.320 31.614 31.700 -0.676 0.000 0.807 483 N N 1.254 119.938 118.700 -0.028 0.000 2.498 483 N HA 0.121 4.861 4.740 -0.001 0.000 0.287 483 N C 0.255 175.818 175.510 0.089 0.000 1.097 483 N CA -0.330 52.795 53.050 0.125 0.000 0.973 483 N CB 1.118 39.680 38.487 0.125 0.000 1.153 483 N HN 0.016 nan 8.380 nan 0.000 0.472 484 E N 1.923 122.213 120.200 0.150 0.000 2.344 484 E HA 0.072 4.421 4.350 -0.001 0.000 0.270 484 E C -1.316 175.309 176.600 0.041 0.000 1.021 484 E CA -1.367 55.104 56.400 0.118 0.000 0.887 484 E CB 0.781 30.597 29.700 0.194 0.000 0.997 484 E HN 0.330 nan 8.360 nan 0.000 0.429 485 P HA -0.195 nan 4.420 nan 0.000 0.210 485 P C 0.481 177.618 177.300 -0.271 0.000 1.151 485 P CA 1.625 64.587 63.100 -0.230 0.000 0.949 485 P CB 0.123 31.616 31.700 -0.344 0.000 0.786 486 H N -1.869 117.240 119.070 0.065 0.000 2.503 486 H HA 0.316 4.871 4.556 -0.001 0.000 0.296 486 H C 0.730 176.097 175.328 0.064 0.000 1.097 486 H CA -0.259 55.825 56.048 0.059 0.000 1.055 486 H CB -0.348 29.442 29.762 0.046 0.000 1.580 486 H HN 0.107 nan 8.280 nan 0.000 0.546 487 S N 0.490 116.277 115.700 0.146 0.000 2.587 487 S HA -0.014 4.456 4.470 -0.001 0.000 0.260 487 S C 1.288 175.957 174.600 0.115 0.000 1.353 487 S CA -0.024 58.252 58.200 0.127 0.000 0.995 487 S CB 0.978 64.257 63.200 0.133 0.000 0.912 487 S HN 0.343 nan 8.310 nan 0.000 0.568 488 Q N 0.165 120.021 119.800 0.093 0.000 2.246 488 Q HA 0.299 4.639 4.340 -0.001 0.000 0.222 488 Q C -0.007 176.040 176.000 0.078 0.000 0.851 488 Q CA 0.076 55.925 55.803 0.078 0.000 0.945 488 Q CB 0.163 28.936 28.738 0.058 0.000 1.122 488 Q HN 0.627 nan 8.270 nan 0.000 0.508 489 E N 0.974 121.229 120.200 0.091 0.000 2.421 489 E HA 0.146 4.495 4.350 -0.001 0.000 0.253 489 E C -0.111 176.561 176.600 0.121 0.000 1.277 489 E CA -0.043 56.417 56.400 0.099 0.000 0.968 489 E CB 0.471 30.241 29.700 0.116 0.000 1.040 489 E HN -0.135 nan 8.360 nan 0.000 0.512 490 S N 0.939 116.715 115.700 0.127 0.000 2.562 490 S HA 0.079 4.549 4.470 -0.001 0.000 0.281 490 S C 0.083 174.795 174.600 0.187 0.000 1.333 490 S CA -0.330 57.947 58.200 0.130 0.000 1.052 490 S CB 0.372 63.635 63.200 0.105 0.000 0.884 490 S HN 0.132 nan 8.310 nan 0.000 0.506 491 K N 2.392 122.894 120.400 0.171 0.000 2.201 491 K HA 0.129 4.449 4.320 -0.001 0.000 0.278 491 K C -0.444 176.320 176.600 0.272 0.000 1.027 491 K CA -0.429 55.989 56.287 0.218 0.000 0.909 491 K CB 0.632 33.239 32.500 0.178 0.000 1.062 491 K HN 0.663 nan 8.250 nan 0.000 0.465 492 W N 7.596 128.946 121.300 0.083 0.000 2.585 492 W HA 0.127 4.787 4.660 -0.001 0.000 0.337 492 W C -2.173 174.454 176.519 0.181 0.000 1.226 492 W CA -2.485 54.902 57.345 0.069 0.000 1.463 492 W CB -0.326 29.079 29.460 -0.091 0.000 1.458 492 W HN 0.390 nan 8.180 nan 0.000 0.458 493 P HA -0.044 nan 4.420 nan 0.000 0.269 493 P C -0.435 177.078 177.300 0.356 0.000 1.215 493 P CA -0.300 63.009 63.100 0.350 0.000 0.780 493 P CB 1.401 33.233 31.700 0.219 0.000 0.898 494 L N 3.251 124.559 121.223 0.142 0.000 2.426 494 L HA 0.284 4.623 4.340 -0.001 0.000 0.271 494 L C -0.148 176.732 176.870 0.016 0.000 1.169 494 L CA -0.366 54.387 54.840 -0.145 0.000 0.836 494 L CB -0.412 41.545 42.059 -0.170 0.000 1.112 494 L HN 0.225 nan 8.230 nan 0.000 0.465 495 F N 4.174 124.032 119.950 -0.153 0.000 2.424 495 F HA 0.509 5.036 4.527 -0.001 0.000 0.356 495 F C 0.187 175.962 175.800 -0.041 0.000 1.110 495 F CA -0.143 57.849 58.000 -0.014 0.000 1.161 495 F CB 0.656 39.676 39.000 0.034 0.000 1.115 495 F HN 0.649 nan 8.300 nan 0.000 0.507 496 T N 1.186 115.502 114.554 -0.397 0.000 2.908 496 T HA 0.259 4.609 4.350 -0.001 0.000 0.290 496 T C 0.889 175.334 174.700 -0.425 0.000 1.034 496 T CA -0.475 61.466 62.100 -0.266 0.000 1.010 496 T CB 1.521 70.293 68.868 -0.161 0.000 1.068 496 T HN 0.533 nan 8.240 nan 0.000 0.481 497 T N 0.891 115.331 114.554 -0.189 0.000 2.737 497 T HA -0.132 4.218 4.350 -0.001 0.000 0.269 497 T C 1.716 176.317 174.700 -0.165 0.000 1.040 497 T CA 1.791 63.809 62.100 -0.138 0.000 1.142 497 T CB -0.264 68.564 68.868 -0.066 0.000 0.861 497 T HN 0.726 nan 8.240 nan 0.000 0.456 498 K N 0.438 120.746 120.400 -0.154 0.000 1.980 498 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 498 K C 2.337 178.856 176.600 -0.135 0.000 1.043 498 K CA 1.090 57.307 56.287 -0.117 0.000 0.938 498 K CB 0.103 32.552 32.500 -0.085 0.000 0.724 498 K HN 0.126 nan 8.250 nan 0.000 0.438 499 E N 0.720 120.822 120.200 -0.163 0.000 2.112 499 E HA -0.123 4.226 4.350 -0.001 0.000 0.190 499 E C 0.101 176.587 176.600 -0.190 0.000 0.979 499 E CA 0.609 56.928 56.400 -0.136 0.000 0.814 499 E CB -0.053 29.588 29.700 -0.097 0.000 0.762 499 E HN 0.360 nan 8.360 nan 0.000 0.460 500 Q N 0.514 120.041 119.800 -0.455 0.000 2.478 500 Q HA -0.185 4.155 4.340 -0.001 0.000 0.286 500 Q C -0.626 175.327 176.000 -0.079 0.000 1.299 500 Q CA 0.591 55.971 55.803 -0.706 0.000 0.826 500 Q CB -1.814 26.752 28.738 -0.285 0.000 1.199 500 Q HN 0.215 nan 8.270 nan 0.000 0.451 501 K N 0.644 121.040 120.400 -0.007 0.000 2.295 501 K HA 0.538 4.857 4.320 -0.001 0.000 0.270 501 K C 0.027 176.938 176.600 0.519 0.000 1.011 501 K CA 0.245 56.658 56.287 0.210 0.000 0.953 501 K CB 0.405 32.971 32.500 0.111 0.000 0.956 501 K HN 0.241 nan 8.250 nan 0.000 0.477 502 F N 0.146 120.270 119.950 0.290 0.000 2.711 502 F HA 0.599 5.126 4.527 -0.001 0.000 0.313 502 F C -1.213 174.708 175.800 0.201 0.000 1.141 502 F CA -1.476 56.725 58.000 0.335 0.000 0.941 502 F CB 0.812 40.018 39.000 0.343 0.000 1.349 502 F HN 0.419 nan 8.300 nan 0.000 0.464 503 I N -0.633 120.047 120.570 0.182 0.000 2.846 503 I HA 0.647 4.817 4.170 -0.001 0.000 0.307 503 I C -1.195 175.053 176.117 0.218 0.000 1.053 503 I CA -0.867 60.381 61.300 -0.087 0.000 1.050 503 I CB 2.067 39.848 38.000 -0.365 0.000 1.239 503 I HN 0.464 nan 8.210 nan 0.000 0.439 504 D N 3.045 123.545 120.400 0.167 0.000 2.253 504 D HA 0.501 5.140 4.640 -0.001 0.000 0.249 504 D C -0.982 175.409 176.300 0.151 0.000 1.049 504 D CA 0.009 54.207 54.000 0.332 0.000 0.929 504 D CB 2.388 43.377 40.800 0.315 0.000 1.176 504 D HN 0.270 nan 8.370 nan 0.000 0.437 505 L N 2.850 124.170 121.223 0.163 0.000 2.388 505 L HA 0.277 4.616 4.340 -0.001 0.000 0.267 505 L C -0.650 176.148 176.870 -0.121 0.000 0.995 505 L CA -0.314 54.569 54.840 0.072 0.000 0.864 505 L CB 0.320 42.510 42.059 0.219 0.000 1.216 505 L HN 0.498 nan 8.230 nan 0.000 0.430 506 N N -0.340 118.287 118.700 -0.122 0.000 3.526 506 N HA 0.320 5.060 4.740 -0.001 0.000 0.328 506 N C 0.143 175.539 175.510 -0.190 0.000 1.601 506 N CA -0.067 52.852 53.050 -0.219 0.000 0.834 506 N CB 0.429 38.846 38.487 -0.117 0.000 1.983 506 N HN 0.060 nan 8.380 nan 0.000 0.579 507 T N -3.525 110.890 114.554 -0.232 0.000 3.188 507 T HA 0.294 4.644 4.350 -0.001 0.000 0.250 507 T C -0.227 174.434 174.700 -0.065 0.000 1.077 507 T CA 0.048 62.048 62.100 -0.168 0.000 0.967 507 T CB -0.602 68.134 68.868 -0.221 0.000 1.006 507 T HN 0.469 nan 8.240 nan 0.000 0.552 508 E N 1.765 121.944 120.200 -0.035 0.000 2.232 508 E HA 0.410 4.760 4.350 -0.001 0.000 0.265 508 E C -2.699 173.900 176.600 -0.001 0.000 1.001 508 E CA -2.784 53.613 56.400 -0.004 0.000 0.870 508 E CB 0.648 30.359 29.700 0.018 0.000 1.175 508 E HN 0.103 nan 8.360 nan 0.000 0.407 509 P HA -0.093 nan 4.420 nan 0.000 0.260 509 P C -0.340 176.959 177.300 -0.001 0.000 1.185 509 P CA 0.462 63.565 63.100 0.005 0.000 0.763 509 P CB 0.261 31.965 31.700 0.006 0.000 0.776 510 M N 3.836 123.438 119.600 0.003 0.000 2.219 510 M HA -0.094 4.385 4.480 -0.001 0.000 0.340 510 M C -0.349 175.914 176.300 -0.063 0.000 1.135 510 M CA 1.331 56.621 55.300 -0.018 0.000 0.976 510 M CB 0.064 32.668 32.600 0.007 0.000 1.713 510 M HN 0.273 nan 8.290 nan 0.000 0.457 511 K N 3.744 124.065 120.400 -0.131 0.000 2.468 511 K HA 0.575 4.895 4.320 -0.001 0.000 0.252 511 K C -1.551 174.772 176.600 -0.461 0.000 0.932 511 K CA -0.966 55.160 56.287 -0.268 0.000 0.794 511 K CB 2.555 34.884 32.500 -0.285 0.000 1.241 511 K HN 0.474 nan 8.250 nan 0.000 0.428 512 V N 3.536 123.167 119.914 -0.472 0.000 2.532 512 V HA 0.353 4.472 4.120 -0.001 0.000 0.295 512 V C -0.125 175.545 176.094 -0.706 0.000 1.041 512 V CA -0.488 61.533 62.300 -0.464 0.000 0.926 512 V CB 1.185 32.889 31.823 -0.199 0.000 0.992 512 V HN 0.710 nan 8.190 nan 0.000 0.457 513 H N 2.713 121.457 119.070 -0.544 0.000 2.949 513 H HA 0.666 5.221 4.556 -0.001 0.000 0.310 513 H C -1.060 174.075 175.328 -0.322 0.000 1.405 513 H CA -0.807 54.915 56.048 -0.544 0.000 1.253 513 H CB 2.110 31.319 29.762 -0.921 0.000 1.932 513 H HN 0.560 nan 8.280 nan 0.000 0.602 514 Q N 0.182 120.068 119.800 0.144 0.000 2.416 514 Q HA 0.357 4.696 4.340 -0.001 0.000 0.281 514 Q C -0.749 175.473 176.000 0.369 0.000 1.067 514 Q CA -0.882 55.085 55.803 0.274 0.000 0.809 514 Q CB 2.961 31.772 28.738 0.123 0.000 1.418 514 Q HN 0.470 nan 8.270 nan 0.000 0.411 515 R N 0.911 121.612 120.500 0.334 0.000 3.079 515 R HA -0.205 4.135 4.340 -0.001 0.000 0.254 515 R C -0.548 175.861 176.300 0.182 0.000 0.900 515 R CA -0.126 56.112 56.100 0.230 0.000 0.641 515 R CB -1.516 28.871 30.300 0.144 0.000 1.307 515 R HN 0.453 nan 8.270 nan 0.000 0.477 516 L N 2.508 123.773 121.223 0.070 0.000 2.700 516 L HA -0.048 4.292 4.340 -0.001 0.000 0.272 516 L C 0.804 177.616 176.870 -0.096 0.000 1.176 516 L CA 0.825 55.507 54.840 -0.263 0.000 0.961 516 L CB -0.369 41.240 42.059 -0.749 0.000 1.249 516 L HN 0.454 nan 8.230 nan 0.000 0.487 517 R N 2.133 122.597 120.500 -0.061 0.000 3.322 517 R HA -0.193 4.146 4.340 -0.001 0.000 0.253 517 R C 1.221 177.573 176.300 0.086 0.000 0.987 517 R CA 0.588 56.702 56.100 0.023 0.000 0.666 517 R CB -2.049 28.281 30.300 0.050 0.000 1.072 517 R HN 0.742 nan 8.270 nan 0.000 0.447 518 V N -2.861 117.103 119.914 0.084 0.000 2.287 518 V HA -0.333 3.786 4.120 -0.001 0.000 0.248 518 V C 2.285 178.448 176.094 0.114 0.000 1.053 518 V CA 2.062 64.426 62.300 0.107 0.000 1.027 518 V CB -0.468 31.411 31.823 0.094 0.000 0.646 518 V HN 0.305 nan 8.190 nan 0.000 0.447 519 Q N -0.099 119.751 119.800 0.083 0.000 2.062 519 Q HA -0.206 4.134 4.340 -0.001 0.000 0.209 519 Q C 2.184 178.250 176.000 0.109 0.000 0.996 519 Q CA 2.495 58.335 55.803 0.062 0.000 0.859 519 Q CB -0.427 28.317 28.738 0.011 0.000 0.920 519 Q HN 0.587 nan 8.270 nan 0.000 0.415 520 M N -1.260 118.434 119.600 0.158 0.000 2.156 520 M HA -0.059 4.421 4.480 -0.001 0.000 0.264 520 M C 2.649 179.241 176.300 0.487 0.000 1.067 520 M CA 1.430 56.922 55.300 0.320 0.000 1.131 520 M CB -1.786 31.060 32.600 0.410 0.000 1.368 520 M HN 0.579 nan 8.290 nan 0.000 0.416 521 C N 0.055 119.567 119.300 0.354 0.000 2.411 521 C HA -0.008 4.452 4.460 -0.001 0.000 0.279 521 C C 2.914 178.080 174.990 0.294 0.000 1.288 521 C CA 1.087 60.304 59.018 0.333 0.000 1.764 521 C CB -1.320 26.554 27.740 0.223 0.000 1.974 521 C HN 0.303 nan 8.230 nan 0.000 0.498 522 V N -0.281 119.775 119.914 0.237 0.000 2.515 522 V HA -0.136 3.984 4.120 -0.001 0.000 0.250 522 V C 2.296 178.513 176.094 0.204 0.000 1.058 522 V CA 2.088 64.502 62.300 0.190 0.000 1.064 522 V CB -0.824 31.084 31.823 0.141 0.000 0.675 522 V HN 0.703 nan 8.190 nan 0.000 0.461 523 F N -0.067 119.929 119.950 0.077 0.000 2.113 523 F HA -0.165 4.362 4.527 -0.001 0.000 0.297 523 F C 1.909 177.696 175.800 -0.022 0.000 1.103 523 F CA 1.615 59.608 58.000 -0.011 0.000 1.248 523 F CB -0.356 38.524 39.000 -0.199 0.000 0.999 523 F HN 0.179 nan 8.300 nan 0.000 0.475 524 W N 0.462 121.820 121.300 0.097 0.000 2.518 524 W HA -0.019 4.641 4.660 -0.001 0.000 0.273 524 W C 1.896 178.377 176.519 -0.062 0.000 1.247 524 W CA 0.585 57.915 57.345 -0.024 0.000 1.288 524 W CB -0.279 29.302 29.460 0.202 0.000 1.107 524 W HN -0.026 nan 8.180 nan 0.000 0.586 525 N N -0.923 117.881 118.700 0.172 0.000 2.368 525 N HA 0.014 4.753 4.740 -0.001 0.000 0.178 525 N C 1.383 176.893 175.510 -0.001 0.000 1.076 525 N CA 0.741 53.815 53.050 0.038 0.000 0.889 525 N CB 0.086 38.608 38.487 0.058 0.000 1.040 525 N HN 0.348 nan 8.380 nan 0.000 0.463 526 Q N -0.877 118.945 119.800 0.036 0.000 2.606 526 Q HA 0.185 4.525 4.340 -0.001 0.000 0.215 526 Q C 1.270 177.278 176.000 0.013 0.000 0.908 526 Q CA -0.019 55.808 55.803 0.040 0.000 0.908 526 Q CB 0.088 28.883 28.738 0.096 0.000 1.120 526 Q HN 0.101 nan 8.270 nan 0.000 0.628 527 F N 1.925 121.790 119.950 -0.141 0.000 2.039 527 F HA -0.180 4.347 4.527 -0.001 0.000 0.294 527 F C 2.020 177.646 175.800 -0.290 0.000 1.130 527 F CA 1.011 58.900 58.000 -0.185 0.000 1.189 527 F CB -0.389 38.524 39.000 -0.146 0.000 0.983 527 F HN 0.027 nan 8.300 nan 0.000 0.471 528 L N 1.098 121.921 121.223 -0.666 0.000 2.012 528 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 528 L C -0.789 175.812 176.870 -0.447 0.000 1.073 528 L CA 2.254 56.651 54.840 -0.739 0.000 0.748 528 L CB -1.981 39.540 42.059 -0.896 0.000 0.891 528 L HN 0.014 nan 8.230 nan 0.000 0.431 529 P HA -0.241 nan 4.420 nan 0.000 0.215 529 P C 1.512 178.695 177.300 -0.194 0.000 1.157 529 P CA 1.807 64.811 63.100 -0.161 0.000 0.874 529 P CB -0.080 31.557 31.700 -0.105 0.000 0.790 530 K N -0.220 120.037 120.400 -0.238 0.000 2.057 530 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 530 K C 2.053 178.479 176.600 -0.290 0.000 1.049 530 K CA 1.140 57.294 56.287 -0.221 0.000 0.931 530 K CB -0.823 31.561 32.500 -0.192 0.000 0.714 530 K HN 0.048 nan 8.250 nan 0.000 0.440 531 L N 0.969 121.899 121.223 -0.489 0.000 1.994 531 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 531 L C 2.136 178.847 176.870 -0.266 0.000 1.071 531 L CA 1.350 55.913 54.840 -0.462 0.000 0.745 531 L CB -0.246 41.387 42.059 -0.710 0.000 0.892 531 L HN 0.257 nan 8.230 nan 0.000 0.431 532 L N 0.216 121.292 121.223 -0.245 0.000 2.127 532 L HA -0.248 4.092 4.340 -0.001 0.000 0.211 532 L C 2.443 179.249 176.870 -0.106 0.000 1.089 532 L CA 1.485 56.232 54.840 -0.155 0.000 0.757 532 L CB -0.869 41.113 42.059 -0.127 0.000 0.899 532 L HN 0.511 nan 8.230 nan 0.000 0.434 533 N N 0.336 118.971 118.700 -0.109 0.000 2.354 533 N HA -0.085 4.654 4.740 -0.001 0.000 0.179 533 N C 1.723 177.193 175.510 -0.067 0.000 1.021 533 N CA 1.098 54.104 53.050 -0.073 0.000 0.887 533 N CB 0.344 38.791 38.487 -0.067 0.000 0.974 533 N HN 0.306 nan 8.380 nan 0.000 0.437 534 A N 0.155 122.923 122.820 -0.087 0.000 1.975 534 A HA 0.054 4.374 4.320 -0.001 0.000 0.215 534 A C 1.409 178.959 177.584 -0.057 0.000 1.170 534 A CA 1.171 53.168 52.037 -0.067 0.000 0.656 534 A CB -0.499 18.456 19.000 -0.074 0.000 0.821 534 A HN 0.503 nan 8.150 nan 0.000 0.449 535 T N 0.000 114.511 114.554 -0.071 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658