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 1o0c_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.696 174.700 -0.006 0.000 1.109 8 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 8 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 9 N N -0.061 118.631 118.700 -0.013 0.000 3.020 9 N HA 0.404 5.143 4.740 -0.001 0.000 0.248 9 N C 0.547 176.079 175.510 0.036 0.000 1.480 9 N CA -0.593 52.474 53.050 0.028 0.000 0.874 9 N CB -0.220 38.258 38.487 -0.015 0.000 1.433 9 N HN 0.555 nan 8.380 nan 0.000 0.530 10 F N -0.360 119.561 119.950 -0.048 0.000 2.202 10 F HA 0.165 4.691 4.527 -0.001 0.000 0.301 10 F C 1.327 177.060 175.800 -0.113 0.000 1.082 10 F CA 0.852 58.819 58.000 -0.055 0.000 1.313 10 F CB -0.600 38.388 39.000 -0.020 0.000 1.024 10 F HN 0.406 nan 8.300 nan 0.000 0.495 11 I N 0.597 120.659 120.570 -0.848 0.000 2.202 11 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 11 I C 2.611 178.423 176.117 -0.508 0.000 1.091 11 I CA 1.258 62.078 61.300 -0.801 0.000 1.368 11 I CB -0.549 36.946 38.000 -0.842 0.000 1.058 11 I HN 0.083 nan 8.210 nan 0.000 0.410 12 R N 0.485 120.780 120.500 -0.342 0.000 2.148 12 R HA -0.146 4.193 4.340 -0.001 0.000 0.227 12 R C 2.240 178.458 176.300 -0.137 0.000 1.103 12 R CA 0.998 56.969 56.100 -0.214 0.000 0.983 12 R CB -0.174 30.102 30.300 -0.040 0.000 0.874 12 R HN 0.502 nan 8.270 nan 0.000 0.451 13 Q N 0.153 119.882 119.800 -0.118 0.000 2.172 13 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 13 Q C 2.015 177.960 176.000 -0.092 0.000 0.964 13 Q CA 0.989 56.758 55.803 -0.057 0.000 0.855 13 Q CB 0.100 28.834 28.738 -0.006 0.000 0.918 13 Q HN 0.366 nan 8.270 nan 0.000 0.444 14 I N 0.478 120.937 120.570 -0.185 0.000 2.252 14 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 14 I C 2.088 178.078 176.117 -0.211 0.000 1.102 14 I CA 0.971 62.144 61.300 -0.213 0.000 1.385 14 I CB -0.110 37.625 38.000 -0.441 0.000 1.064 14 I HN 0.214 nan 8.210 nan 0.000 0.414 15 I N 0.633 120.982 120.570 -0.369 0.000 2.208 15 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 15 I C 2.036 178.057 176.117 -0.159 0.000 1.097 15 I CA 1.415 62.454 61.300 -0.434 0.000 1.363 15 I CB -0.621 36.893 38.000 -0.811 0.000 1.051 15 I HN 0.262 nan 8.210 nan 0.000 0.413 16 D N 0.911 121.271 120.400 -0.066 0.000 2.117 16 D HA -0.181 4.458 4.640 -0.001 0.000 0.197 16 D C 2.082 178.403 176.300 0.036 0.000 0.987 16 D CA 1.264 55.292 54.000 0.047 0.000 0.829 16 D CB -0.254 40.583 40.800 0.061 0.000 0.961 16 D HN 0.431 nan 8.370 nan 0.000 0.460 17 E N 0.367 120.576 120.200 0.014 0.000 2.110 17 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 17 E C 1.519 178.151 176.600 0.053 0.000 0.988 17 E CA 0.957 57.374 56.400 0.029 0.000 0.804 17 E CB 0.053 29.767 29.700 0.022 0.000 0.745 17 E HN 0.222 nan 8.360 nan 0.000 0.458 18 D N 0.240 120.689 120.400 0.081 0.000 2.117 18 D HA -0.123 4.517 4.640 -0.001 0.000 0.198 18 D C 1.771 178.146 176.300 0.126 0.000 0.982 18 D CA 0.628 54.715 54.000 0.145 0.000 0.828 18 D CB -0.104 40.890 40.800 0.324 0.000 0.967 18 D HN 0.012 nan 8.370 nan 0.000 0.464 19 L N 1.037 122.329 121.223 0.116 0.000 1.976 19 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 19 L C 2.417 179.331 176.870 0.073 0.000 1.071 19 L CA 1.557 56.462 54.840 0.108 0.000 0.746 19 L CB -1.449 40.678 42.059 0.113 0.000 0.890 19 L HN -0.026 nan 8.230 nan 0.000 0.432 20 A N -0.380 122.475 122.820 0.059 0.000 1.873 20 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 20 A C 2.480 180.082 177.584 0.031 0.000 1.193 20 A CA 2.891 54.953 52.037 0.041 0.000 0.629 20 A CB -1.177 17.843 19.000 0.034 0.000 0.826 20 A HN 0.586 nan 8.150 nan 0.000 0.447 21 S N -1.762 113.955 115.700 0.029 0.000 2.419 21 S HA 0.229 4.698 4.470 -0.001 0.000 0.235 21 S C 1.632 176.236 174.600 0.006 0.000 1.019 21 S CA 1.516 59.725 58.200 0.015 0.000 0.982 21 S CB -0.699 62.509 63.200 0.012 0.000 0.789 21 S HN 2.152 nan 8.310 nan 0.000 0.490 22 G N 1.312 110.120 108.800 0.014 0.000 2.144 22 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 22 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 22 G C 0.582 175.459 174.900 -0.037 0.000 0.988 22 G CA 0.432 45.534 45.100 0.003 0.000 0.659 22 G HN 0.594 nan 8.290 nan 0.000 0.522 23 K N -0.303 120.056 120.400 -0.068 0.000 2.211 23 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 23 K C 0.490 176.835 176.600 -0.425 0.000 1.050 23 K CA 0.939 57.094 56.287 -0.220 0.000 0.945 23 K CB -0.035 32.345 32.500 -0.201 0.000 0.732 23 K HN 0.544 nan 8.250 nan 0.000 0.451 24 H N -1.629 117.458 119.070 0.028 0.000 3.012 24 H HA 0.108 4.663 4.556 -0.001 0.000 0.367 24 H C -0.214 175.140 175.328 0.043 0.000 1.211 24 H CA -0.068 56.000 56.048 0.034 0.000 1.139 24 H CB 2.232 32.028 29.762 0.057 0.000 1.838 24 H HN 0.092 nan 8.280 nan 0.000 0.550 25 T N -2.227 112.433 114.554 0.178 0.000 3.058 25 T HA 0.198 4.547 4.350 -0.001 0.000 0.278 25 T C 0.283 175.049 174.700 0.110 0.000 0.974 25 T CA -0.019 62.151 62.100 0.115 0.000 0.893 25 T CB 0.138 69.052 68.868 0.076 0.000 1.138 25 T HN 0.657 nan 8.240 nan 0.000 0.529 26 T N -0.195 114.435 114.554 0.127 0.000 2.853 26 T HA 0.683 5.032 4.350 -0.001 0.000 0.311 26 T C -0.929 173.806 174.700 0.058 0.000 1.307 26 T CA -0.570 61.583 62.100 0.088 0.000 1.019 26 T CB 1.767 70.683 68.868 0.079 0.000 1.264 26 T HN 0.669 nan 8.240 nan 0.000 0.497 27 V N -0.432 119.498 119.914 0.027 0.000 2.555 27 V HA 0.828 4.947 4.120 -0.001 0.000 0.302 27 V C -1.243 174.873 176.094 0.038 0.000 1.038 27 V CA -0.575 61.722 62.300 -0.005 0.000 0.887 27 V CB 1.637 33.380 31.823 -0.135 0.000 0.991 27 V HN 1.212 nan 8.190 nan 0.000 0.434 28 H N 3.685 122.724 119.070 -0.052 0.000 3.108 28 H HA 0.631 5.187 4.556 -0.001 0.000 0.329 28 H C -0.239 175.051 175.328 -0.064 0.000 0.978 28 H CA 0.424 56.440 56.048 -0.054 0.000 1.413 28 H CB 1.624 31.357 29.762 -0.048 0.000 1.670 28 H HN 1.154 nan 8.280 nan 0.000 0.512 29 T N 1.866 116.520 114.554 0.167 0.000 2.876 29 T HA 0.736 5.085 4.350 -0.001 0.000 0.277 29 T C 0.118 174.827 174.700 0.015 0.000 0.997 29 T CA -1.048 61.078 62.100 0.043 0.000 0.966 29 T CB 2.277 71.104 68.868 -0.068 0.000 1.312 29 T HN 0.627 nan 8.240 nan 0.000 0.598 30 R N -0.078 120.384 120.500 -0.063 0.000 2.634 30 R HA 0.404 4.744 4.340 -0.001 0.000 0.263 30 R C -2.516 173.762 176.300 -0.036 0.000 1.060 30 R CA -0.847 55.192 56.100 -0.102 0.000 0.898 30 R CB 0.887 31.134 30.300 -0.087 0.000 1.253 30 R HN 0.670 nan 8.270 nan 0.000 0.461 31 F N 5.720 125.518 119.950 -0.253 0.000 2.361 31 F HA 0.574 5.100 4.527 -0.001 0.000 0.364 31 F C -2.183 173.522 175.800 -0.159 0.000 1.117 31 F CA -2.742 55.174 58.000 -0.140 0.000 1.071 31 F CB 1.974 40.958 39.000 -0.027 0.000 1.188 31 F HN 0.366 nan 8.300 nan 0.000 0.464 32 P HA 0.277 nan 4.420 nan 0.000 0.202 32 P C -2.983 174.021 177.300 -0.493 0.000 1.871 32 P CA -1.520 61.321 63.100 -0.431 0.000 1.068 32 P CB 0.505 32.174 31.700 -0.053 0.000 1.818 33 P HA 0.135 nan 4.420 nan 0.000 0.274 33 P C -0.186 176.991 177.300 -0.205 0.000 1.231 33 P CA 0.070 62.856 63.100 -0.523 0.000 0.790 33 P CB 1.487 32.768 31.700 -0.699 0.000 0.951 34 E N 3.051 123.204 120.200 -0.079 0.000 2.259 34 E HA 0.194 4.543 4.350 -0.001 0.000 0.281 34 E C -1.867 174.732 176.600 -0.002 0.000 1.027 34 E CA -2.577 53.838 56.400 0.025 0.000 0.838 34 E CB 0.780 30.505 29.700 0.041 0.000 1.066 34 E HN 0.285 nan 8.360 nan 0.000 0.401 35 P HA 0.072 nan 4.420 nan 0.000 0.237 35 P C -0.895 176.339 177.300 -0.110 0.000 1.788 35 P CA -0.074 63.000 63.100 -0.044 0.000 1.061 35 P CB -0.360 31.266 31.700 -0.123 0.000 1.967 36 N N 1.170 119.686 118.700 -0.308 0.000 2.291 36 N HA 0.291 5.030 4.740 -0.001 0.000 0.244 36 N C 0.230 175.213 175.510 -0.879 0.000 1.216 36 N CA -0.600 52.208 53.050 -0.403 0.000 0.879 36 N CB 0.889 39.313 38.487 -0.105 0.000 1.167 36 N HN 0.275 nan 8.380 nan 0.000 0.515 37 G N -0.614 107.282 108.800 -1.507 0.000 2.315 37 G HA2 0.274 4.233 3.960 -0.001 0.000 0.294 37 G HA3 0.274 4.233 3.960 -0.001 0.000 0.294 37 G C -2.126 172.160 174.900 -1.023 0.000 1.300 37 G CA -0.851 43.413 45.100 -1.393 0.000 0.843 37 G HN -0.032 nan 8.290 nan 0.000 0.527 38 Y N -0.711 118.776 120.300 -1.354 0.000 2.326 38 Y HA 0.675 5.224 4.550 -0.001 0.000 0.324 38 Y C 0.852 176.585 175.900 -0.278 0.000 1.291 38 Y CA -0.875 56.839 58.100 -0.644 0.000 1.348 38 Y CB 0.992 39.156 38.460 -0.493 0.000 1.294 38 Y HN 0.390 nan 8.280 nan 0.000 0.525 39 L N 2.252 123.438 121.223 -0.063 0.000 2.417 39 L HA 0.188 4.527 4.340 -0.001 0.000 0.268 39 L C -0.065 176.943 176.870 0.231 0.000 1.158 39 L CA -0.096 54.686 54.840 -0.097 0.000 0.819 39 L CB -0.007 42.000 42.059 -0.087 0.000 1.112 39 L HN 0.789 nan 8.230 nan 0.000 0.458 40 H N -0.081 119.291 119.070 0.503 0.000 2.855 40 H HA 0.399 4.954 4.556 -0.001 0.000 0.363 40 H C 0.832 176.326 175.328 0.277 0.000 1.185 40 H CA -0.968 55.287 56.048 0.345 0.000 1.174 40 H CB 0.279 30.222 29.762 0.301 0.000 1.857 40 H HN 0.432 nan 8.280 nan 0.000 0.565 41 I N 0.779 121.598 120.570 0.416 0.000 2.300 41 I HA -0.167 4.002 4.170 -0.001 0.000 0.252 41 I C 2.119 178.457 176.117 0.368 0.000 1.119 41 I CA 2.296 63.784 61.300 0.314 0.000 1.384 41 I CB -0.694 37.419 38.000 0.190 0.000 1.062 41 I HN 0.910 nan 8.210 nan 0.000 0.426 42 G N -1.127 107.999 108.800 0.544 0.000 2.422 42 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 42 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 42 G C 1.376 176.400 174.900 0.206 0.000 1.146 42 G CA 1.154 46.477 45.100 0.372 0.000 0.769 42 G HN 0.555 nan 8.290 nan 0.000 0.547 43 H N 0.273 119.429 119.070 0.144 0.000 2.462 43 H HA 0.236 4.791 4.556 -0.001 0.000 0.292 43 H C 2.758 178.052 175.328 -0.057 0.000 1.049 43 H CA 0.807 56.885 56.048 0.050 0.000 1.334 43 H CB 0.178 29.937 29.762 -0.005 0.000 1.404 43 H HN 0.416 nan 8.280 nan 0.000 0.544 44 A N 0.824 123.725 122.820 0.136 0.000 2.066 44 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 44 A C 2.126 179.714 177.584 0.006 0.000 1.157 44 A CA 1.198 53.265 52.037 0.051 0.000 0.670 44 A CB -0.270 18.826 19.000 0.160 0.000 0.804 44 A HN 0.350 nan 8.150 nan 0.000 0.453 45 K N -0.317 120.117 120.400 0.057 0.000 2.062 45 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 45 K C 2.281 178.831 176.600 -0.084 0.000 1.051 45 K CA 1.451 57.742 56.287 0.007 0.000 0.941 45 K CB -0.219 32.335 32.500 0.089 0.000 0.719 45 K HN 0.381 nan 8.250 nan 0.000 0.440 46 S N 0.608 116.303 115.700 -0.008 0.000 2.383 46 S HA -0.079 4.391 4.470 -0.001 0.000 0.227 46 S C 1.934 176.375 174.600 -0.266 0.000 1.026 46 S CA 0.976 59.172 58.200 -0.007 0.000 0.981 46 S CB -0.242 63.130 63.200 0.286 0.000 0.818 46 S HN 0.350 nan 8.310 nan 0.000 0.472 47 I N 0.860 121.127 120.570 -0.505 0.000 2.202 47 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 47 I C 2.560 178.366 176.117 -0.517 0.000 1.091 47 I CA 0.985 61.933 61.300 -0.587 0.000 1.368 47 I CB -0.560 37.037 38.000 -0.671 0.000 1.058 47 I HN 0.418 nan 8.210 nan 0.000 0.410 48 C N 0.355 119.397 119.300 -0.429 0.000 2.432 48 C HA -0.168 4.291 4.460 -0.001 0.000 0.277 48 C C 2.730 177.574 174.990 -0.243 0.000 1.249 48 C CA 0.445 59.264 59.018 -0.332 0.000 1.725 48 C CB -0.941 26.739 27.740 -0.100 0.000 2.028 48 C HN 0.474 nan 8.230 nan 0.000 0.477 49 L N 1.236 122.310 121.223 -0.250 0.000 1.971 49 L HA -0.197 4.142 4.340 -0.001 0.000 0.215 49 L C 2.430 179.170 176.870 -0.218 0.000 1.072 49 L CA 2.007 56.685 54.840 -0.269 0.000 0.758 49 L CB -0.786 41.017 42.059 -0.428 0.000 0.889 49 L HN 0.492 nan 8.230 nan 0.000 0.433 50 N N -0.409 118.167 118.700 -0.207 0.000 2.080 50 N HA -0.181 4.558 4.740 -0.001 0.000 0.189 50 N C 1.798 177.171 175.510 -0.229 0.000 1.036 50 N CA 1.586 54.514 53.050 -0.202 0.000 0.846 50 N CB -0.423 37.953 38.487 -0.185 0.000 1.015 50 N HN 0.273 nan 8.380 nan 0.000 0.423 51 F N 1.144 120.924 119.950 -0.283 0.000 2.259 51 F HA 0.049 4.575 4.527 -0.001 0.000 0.298 51 F C 2.588 178.338 175.800 -0.084 0.000 1.088 51 F CA 0.875 58.746 58.000 -0.215 0.000 1.358 51 F CB -0.691 38.035 39.000 -0.457 0.000 1.040 51 F HN 0.073 nan 8.300 nan 0.000 0.505 52 G N 0.357 109.182 108.800 0.041 0.000 2.418 52 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 52 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 52 G C 1.765 176.718 174.900 0.089 0.000 1.158 52 G CA 0.847 46.015 45.100 0.113 0.000 0.771 52 G HN 0.324 nan 8.290 nan 0.000 0.545 53 I N 1.298 121.885 120.570 0.029 0.000 2.179 53 I HA -0.184 3.985 4.170 -0.001 0.000 0.242 53 I C 3.326 179.520 176.117 0.128 0.000 1.088 53 I CA 0.934 62.277 61.300 0.072 0.000 1.357 53 I CB -0.260 37.673 38.000 -0.112 0.000 1.051 53 I HN 0.257 nan 8.210 nan 0.000 0.409 54 A N 1.180 124.022 122.820 0.036 0.000 1.873 54 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 54 A C 2.293 179.933 177.584 0.094 0.000 1.193 54 A CA 2.262 54.320 52.037 0.035 0.000 0.629 54 A CB -0.924 18.066 19.000 -0.018 0.000 0.826 54 A HN 0.662 nan 8.150 nan 0.000 0.447 55 Q N -0.966 118.907 119.800 0.121 0.000 2.046 55 Q HA -0.203 4.137 4.340 -0.001 0.000 0.200 55 Q C 1.251 177.291 176.000 0.066 0.000 0.975 55 Q CA 1.548 57.414 55.803 0.105 0.000 0.836 55 Q CB -0.596 28.224 28.738 0.138 0.000 0.896 55 Q HN 0.478 nan 8.270 nan 0.000 0.428 56 D N 0.708 121.148 120.400 0.067 0.000 2.104 56 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 56 D C 1.013 177.236 176.300 -0.129 0.000 0.994 56 D CA 1.233 55.206 54.000 -0.046 0.000 0.830 56 D CB -0.287 40.468 40.800 -0.076 0.000 0.959 56 D HN 0.396 nan 8.370 nan 0.000 0.452 57 Y N 0.696 120.976 120.300 -0.034 0.000 2.470 57 Y HA 0.101 4.651 4.550 -0.001 0.000 0.302 57 Y C 0.243 176.127 175.900 -0.026 0.000 1.194 57 Y CA -0.187 57.892 58.100 -0.036 0.000 1.271 57 Y CB -0.043 38.385 38.460 -0.054 0.000 1.092 57 Y HN -0.265 nan 8.280 nan 0.000 0.513 58 K N 0.256 120.704 120.400 0.080 0.000 3.419 58 K HA -0.178 4.141 4.320 -0.001 0.000 0.272 58 K C 0.263 176.890 176.600 0.044 0.000 0.973 58 K CA 0.834 57.148 56.287 0.045 0.000 0.749 58 K CB -1.670 30.845 32.500 0.025 0.000 1.403 58 K HN 0.608 nan 8.250 nan 0.000 0.456 59 G N -0.336 108.485 108.800 0.035 0.000 3.262 59 G HA2 0.658 4.617 3.960 -0.001 0.000 0.229 59 G HA3 0.658 4.617 3.960 -0.001 0.000 0.229 59 G C -0.955 173.888 174.900 -0.095 0.000 1.280 59 G CA -0.440 44.646 45.100 -0.024 0.000 0.951 59 G HN 0.069 nan 8.290 nan 0.000 0.589 60 Q N -1.342 118.310 119.800 -0.247 0.000 2.394 60 Q HA 0.535 4.875 4.340 -0.001 0.000 0.273 60 Q C -1.471 174.309 176.000 -0.367 0.000 1.089 60 Q CA -0.532 55.050 55.803 -0.368 0.000 0.812 60 Q CB 2.139 30.479 28.738 -0.662 0.000 1.353 60 Q HN 0.568 nan 8.270 nan 0.000 0.438 61 C N 2.726 121.911 119.300 -0.192 0.000 2.446 61 C HA 0.572 5.031 4.460 -0.001 0.000 0.329 61 C C -1.009 173.915 174.990 -0.109 0.000 1.166 61 C CA -0.525 58.363 59.018 -0.216 0.000 1.341 61 C CB 0.306 27.736 27.740 -0.515 0.000 1.970 61 C HN 0.747 nan 8.230 nan 0.000 0.452 62 N N 2.878 121.567 118.700 -0.018 0.000 2.476 62 N HA 0.605 5.344 4.740 -0.001 0.000 0.275 62 N C -0.888 174.575 175.510 -0.078 0.000 1.190 62 N CA -0.482 52.597 53.050 0.048 0.000 0.977 62 N CB 1.293 39.818 38.487 0.063 0.000 1.200 62 N HN 0.694 nan 8.380 nan 0.000 0.515 63 L N 0.632 121.775 121.223 -0.133 0.000 2.294 63 L HA 0.466 4.805 4.340 -0.001 0.000 0.283 63 L C -0.383 176.165 176.870 -0.538 0.000 1.015 63 L CA -0.336 54.278 54.840 -0.376 0.000 0.831 63 L CB 0.363 41.953 42.059 -0.782 0.000 1.217 63 L HN 0.494 nan 8.230 nan 0.000 0.420 64 R N 4.282 124.461 120.500 -0.535 0.000 2.534 64 R HA 0.517 4.856 4.340 -0.001 0.000 0.301 64 R C -1.604 174.343 176.300 -0.588 0.000 0.961 64 R CA -0.564 55.248 56.100 -0.480 0.000 0.871 64 R CB 1.001 31.147 30.300 -0.257 0.000 1.170 64 R HN 0.500 nan 8.270 nan 0.000 0.446 65 F N 2.642 122.360 119.950 -0.386 0.000 2.404 65 F HA 0.171 4.697 4.527 -0.001 0.000 0.358 65 F C 0.602 176.349 175.800 -0.090 0.000 1.120 65 F CA -0.377 57.467 58.000 -0.261 0.000 1.144 65 F CB 1.244 40.085 39.000 -0.265 0.000 1.133 65 F HN 0.383 nan 8.300 nan 0.000 0.495 66 D N 3.683 124.146 120.400 0.105 0.000 2.551 66 D HA 0.016 4.655 4.640 -0.001 0.000 0.223 66 D C -0.285 176.146 176.300 0.218 0.000 1.144 66 D CA 0.006 54.097 54.000 0.151 0.000 1.025 66 D CB -0.138 40.763 40.800 0.169 0.000 1.085 66 D HN 0.426 nan 8.370 nan 0.000 0.506 67 D N 0.308 120.869 120.400 0.269 0.000 2.741 67 D HA -0.010 4.629 4.640 -0.001 0.000 0.233 67 D C 1.029 177.577 176.300 0.413 0.000 1.160 67 D CA -0.461 53.746 54.000 0.345 0.000 1.003 67 D CB 0.005 41.059 40.800 0.423 0.000 1.064 67 D HN 0.065 nan 8.370 nan 0.000 0.503 68 T N -2.810 111.938 114.554 0.324 0.000 3.069 68 T HA 0.087 4.436 4.350 -0.001 0.000 0.252 68 T C 0.559 175.359 174.700 0.166 0.000 1.053 68 T CA -0.527 61.770 62.100 0.327 0.000 0.964 68 T CB -0.127 68.900 68.868 0.264 0.000 1.005 68 T HN 0.121 nan 8.240 nan 0.000 0.532 69 N N 2.316 121.084 118.700 0.114 0.000 2.804 69 N HA 0.306 5.045 4.740 -0.001 0.000 0.251 69 N C -1.887 173.598 175.510 -0.040 0.000 1.250 69 N CA -2.427 50.621 53.050 -0.004 0.000 0.820 69 N CB 1.835 40.351 38.487 0.049 0.000 1.156 69 N HN -0.031 nan 8.380 nan 0.000 0.512 70 P HA -0.247 nan 4.420 nan 0.000 0.217 70 P C 1.346 178.627 177.300 -0.033 0.000 1.162 70 P CA 1.667 64.685 63.100 -0.137 0.000 0.901 70 P CB 0.039 31.554 31.700 -0.308 0.000 0.793 71 V N -3.207 116.688 119.914 -0.031 0.000 2.982 71 V HA -0.071 4.048 4.120 -0.001 0.000 0.265 71 V C 1.714 177.843 176.094 0.058 0.000 1.122 71 V CA 1.639 63.956 62.300 0.027 0.000 1.143 71 V CB -1.263 30.581 31.823 0.034 0.000 0.726 71 V HN -0.011 nan 8.190 nan 0.000 0.507 72 K N 0.195 120.633 120.400 0.063 0.000 2.374 72 K HA 0.408 4.727 4.320 -0.001 0.000 0.202 72 K C 0.235 176.909 176.600 0.124 0.000 1.040 72 K CA 0.130 56.472 56.287 0.091 0.000 1.085 72 K CB 0.866 33.410 32.500 0.073 0.000 0.873 72 K HN 0.686 nan 8.250 nan 0.000 0.539 73 E N 0.478 120.751 120.200 0.121 0.000 2.263 73 E HA 0.368 4.717 4.350 -0.001 0.000 0.264 73 E C -1.424 175.205 176.600 0.048 0.000 0.923 73 E CA -0.688 55.788 56.400 0.127 0.000 0.802 73 E CB 1.813 31.589 29.700 0.126 0.000 1.228 73 E HN -0.137 nan 8.360 nan 0.000 0.417 74 D N 0.280 120.637 120.400 -0.071 0.000 2.756 74 D HA 0.198 4.838 4.640 -0.001 0.000 0.226 74 D C -0.197 175.794 176.300 -0.515 0.000 1.186 74 D CA -0.589 53.223 54.000 -0.313 0.000 0.845 74 D CB 1.569 42.101 40.800 -0.447 0.000 1.610 74 D HN 0.344 nan 8.370 nan 0.000 0.465 75 I N 2.017 122.324 120.570 -0.437 0.000 2.567 75 I HA -0.061 4.108 4.170 -0.001 0.000 0.257 75 I C 1.775 177.678 176.117 -0.357 0.000 1.184 75 I CA 1.361 62.429 61.300 -0.387 0.000 1.451 75 I CB -0.150 37.721 38.000 -0.216 0.000 1.089 75 I HN 0.618 nan 8.210 nan 0.000 0.441 76 E N -0.581 119.371 120.200 -0.413 0.000 2.153 76 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 76 E C 1.863 178.213 176.600 -0.416 0.000 0.988 76 E CA 1.331 57.496 56.400 -0.391 0.000 0.811 76 E CB -0.163 29.275 29.700 -0.436 0.000 0.746 76 E HN 0.571 nan 8.360 nan 0.000 0.466 77 Y N 0.028 120.113 120.300 -0.358 0.000 2.184 77 Y HA -0.151 4.398 4.550 -0.001 0.000 0.290 77 Y C 2.576 178.210 175.900 -0.445 0.000 1.129 77 Y CA 0.991 58.814 58.100 -0.461 0.000 1.144 77 Y CB -1.170 37.066 38.460 -0.375 0.000 0.995 77 Y HN 0.103 nan 8.280 nan 0.000 0.513 78 V N -0.142 119.549 119.914 -0.371 0.000 2.332 78 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 78 V C 1.761 177.682 176.094 -0.288 0.000 1.055 78 V CA 2.379 64.293 62.300 -0.643 0.000 1.038 78 V CB -0.622 30.590 31.823 -1.017 0.000 0.651 78 V HN 0.430 nan 8.190 nan 0.000 0.450 79 E N 1.655 121.717 120.200 -0.230 0.000 2.077 79 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 79 E C 2.461 178.996 176.600 -0.109 0.000 0.989 79 E CA 1.929 58.256 56.400 -0.121 0.000 0.800 79 E CB -0.352 29.277 29.700 -0.117 0.000 0.746 79 E HN 0.904 nan 8.360 nan 0.000 0.452 80 S N 0.724 116.284 115.700 -0.234 0.000 2.406 80 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 80 S C 2.081 176.567 174.600 -0.189 0.000 1.020 80 S CA 0.568 58.589 58.200 -0.299 0.000 0.965 80 S CB -0.393 62.342 63.200 -0.774 0.000 0.798 80 S HN 0.153 nan 8.310 nan 0.000 0.488 81 I N 1.722 122.210 120.570 -0.136 0.000 2.179 81 I HA -0.157 4.012 4.170 -0.001 0.000 0.242 81 I C 2.738 178.890 176.117 0.057 0.000 1.088 81 I CA 1.351 62.642 61.300 -0.015 0.000 1.357 81 I CB -0.272 37.793 38.000 0.109 0.000 1.051 81 I HN 0.261 nan 8.210 nan 0.000 0.409 82 K N 0.440 120.906 120.400 0.110 0.000 2.097 82 K HA -0.224 4.095 4.320 -0.001 0.000 0.206 82 K C 1.924 178.646 176.600 0.203 0.000 1.049 82 K CA 1.669 58.027 56.287 0.118 0.000 0.933 82 K CB -0.275 32.328 32.500 0.171 0.000 0.717 82 K HN 0.212 nan 8.250 nan 0.000 0.442 83 N N 1.537 120.313 118.700 0.126 0.000 2.084 83 N HA -0.172 4.568 4.740 -0.001 0.000 0.190 83 N C 1.262 176.867 175.510 0.158 0.000 1.030 83 N CA 1.742 54.865 53.050 0.123 0.000 0.849 83 N CB -0.105 38.410 38.487 0.046 0.000 1.012 83 N HN 0.093 nan 8.380 nan 0.000 0.423 84 D N -0.428 120.045 120.400 0.122 0.000 2.144 84 D HA -0.073 4.566 4.640 -0.001 0.000 0.200 84 D C 2.031 178.472 176.300 0.235 0.000 0.978 84 D CA 0.626 54.740 54.000 0.190 0.000 0.833 84 D CB -0.197 40.674 40.800 0.119 0.000 0.961 84 D HN 0.117 nan 8.370 nan 0.000 0.470 85 V N 1.631 121.643 119.914 0.163 0.000 2.287 85 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 85 V C 2.348 178.506 176.094 0.107 0.000 1.053 85 V CA 1.689 64.054 62.300 0.108 0.000 1.027 85 V CB -0.406 31.483 31.823 0.109 0.000 0.646 85 V HN 0.200 nan 8.190 nan 0.000 0.447 86 E N -1.304 118.999 120.200 0.171 0.000 2.051 86 E HA -0.289 4.061 4.350 -0.001 0.000 0.192 86 E C 1.958 178.565 176.600 0.012 0.000 0.991 86 E CA 1.663 58.081 56.400 0.030 0.000 0.799 86 E CB -0.284 29.471 29.700 0.092 0.000 0.748 86 E HN 0.766 nan 8.360 nan 0.000 0.449 87 W N 1.780 123.060 121.300 -0.033 0.000 2.325 87 W HA -0.182 4.478 4.660 -0.001 0.000 0.299 87 W C 1.728 178.211 176.519 -0.060 0.000 1.215 87 W CA 1.272 58.595 57.345 -0.037 0.000 1.244 87 W CB -0.228 29.232 29.460 -0.001 0.000 1.140 87 W HN -0.020 nan 8.180 nan 0.000 0.523 88 L N 0.341 121.525 121.223 -0.065 0.000 2.265 88 L HA 0.005 4.344 4.340 -0.001 0.000 0.215 88 L C 1.851 178.432 176.870 -0.482 0.000 1.117 88 L CA 1.431 56.120 54.840 -0.251 0.000 0.782 88 L CB -0.969 41.168 42.059 0.130 0.000 0.914 88 L HN 0.379 nan 8.230 nan 0.000 0.441 89 G N -1.136 107.368 108.800 -0.492 0.000 2.151 89 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.156 89 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.156 89 G C -0.265 174.078 174.900 -0.927 0.000 1.017 89 G CA -0.655 44.029 45.100 -0.694 0.000 0.686 89 G HN 0.122 nan 8.290 nan 0.000 0.503 90 F N 0.745 120.399 119.950 -0.495 0.000 2.561 90 F HA 0.730 5.256 4.527 -0.001 0.000 0.321 90 F C 0.497 175.861 175.800 -0.727 0.000 1.065 90 F CA -0.948 56.716 58.000 -0.561 0.000 0.934 90 F CB 1.629 40.127 39.000 -0.838 0.000 1.215 90 F HN 0.048 nan 8.300 nan 0.000 0.471 91 H N 0.408 119.504 119.070 0.044 0.000 2.538 91 H HA 0.213 4.768 4.556 -0.002 0.000 0.353 91 H C -1.144 174.390 175.328 0.343 0.000 1.109 91 H CA -1.044 54.983 56.048 -0.035 0.000 1.192 91 H CB 1.569 31.244 29.762 -0.144 0.000 1.555 91 H HN 0.801 nan 8.280 nan 0.000 0.518 92 W N 1.285 122.836 121.300 0.420 0.000 2.332 92 W HA 0.479 5.138 4.660 -0.001 0.000 0.351 92 W C 0.171 176.824 176.519 0.222 0.000 1.195 92 W CA -1.138 56.461 57.345 0.423 0.000 1.334 92 W CB 0.449 30.118 29.460 0.348 0.000 1.206 92 W HN 0.352 nan 8.180 nan 0.000 0.637 93 S N 2.256 118.194 115.700 0.397 0.000 2.422 93 S HA 0.499 4.968 4.470 -0.001 0.000 0.283 93 S C 0.674 175.431 174.600 0.261 0.000 1.163 93 S CA 0.648 58.977 58.200 0.215 0.000 1.054 93 S CB -0.905 62.350 63.200 0.092 0.000 0.967 93 S HN 1.567 nan 8.310 nan 0.000 0.499 94 G N 5.836 114.752 108.800 0.194 0.000 2.562 94 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.250 94 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.250 94 G C -0.281 174.803 174.900 0.306 0.000 1.269 94 G CA -0.275 44.942 45.100 0.195 0.000 0.919 94 G HN 0.738 nan 8.290 nan 0.000 0.574 95 N N -0.665 118.192 118.700 0.262 0.000 2.354 95 N HA 0.404 5.143 4.740 -0.001 0.000 0.246 95 N C 0.569 176.257 175.510 0.297 0.000 1.285 95 N CA -0.152 53.078 53.050 0.300 0.000 0.925 95 N CB 0.811 39.420 38.487 0.203 0.000 1.174 95 N HN 0.575 nan 8.380 nan 0.000 0.478 96 V N 2.006 122.055 119.914 0.225 0.000 2.614 96 V HA 0.140 4.259 4.120 -0.001 0.000 0.291 96 V C 0.674 176.706 176.094 -0.104 0.000 1.049 96 V CA -0.121 62.111 62.300 -0.113 0.000 1.038 96 V CB 0.388 32.142 31.823 -0.115 0.000 0.980 96 V HN 0.472 nan 8.190 nan 0.000 0.481 97 R N 3.451 123.803 120.500 -0.247 0.000 2.758 97 R HA 0.623 4.962 4.340 -0.001 0.000 0.265 97 R C -1.428 174.642 176.300 -0.383 0.000 1.016 97 R CA -0.681 55.319 56.100 -0.167 0.000 1.040 97 R CB 1.157 31.419 30.300 -0.062 0.000 1.152 97 R HN 0.605 nan 8.270 nan 0.000 0.503 98 Y N -1.375 118.854 120.300 -0.119 0.000 2.504 98 Y HA 0.175 4.724 4.550 -0.001 0.000 0.344 98 Y C 1.226 176.954 175.900 -0.288 0.000 1.023 98 Y CA -0.565 57.473 58.100 -0.104 0.000 1.020 98 Y CB 2.466 40.855 38.460 -0.117 0.000 1.282 98 Y HN 0.513 nan 8.280 nan 0.000 0.454 99 S N 0.191 115.879 115.700 -0.020 0.000 2.399 99 S HA -0.196 4.273 4.470 -0.001 0.000 0.231 99 S C 1.948 176.296 174.600 -0.419 0.000 1.022 99 S CA 1.779 59.955 58.200 -0.040 0.000 0.983 99 S CB -0.324 62.922 63.200 0.077 0.000 0.803 99 S HN 0.811 nan 8.310 nan 0.000 0.480 100 S N 1.913 117.188 115.700 -0.708 0.000 2.440 100 S HA -0.141 4.328 4.470 -0.001 0.000 0.238 100 S C 1.065 175.081 174.600 -0.973 0.000 1.010 100 S CA 1.070 58.300 58.200 -1.616 0.000 0.972 100 S CB -0.444 62.032 63.200 -1.207 0.000 0.774 100 S HN 0.382 nan 8.310 nan 0.000 0.501 101 D N 0.756 120.747 120.400 -0.681 0.000 2.310 101 D HA -0.029 4.610 4.640 -0.001 0.000 0.212 101 D C 0.541 176.521 176.300 -0.534 0.000 0.965 101 D CA 0.903 54.554 54.000 -0.582 0.000 0.879 101 D CB -0.232 40.167 40.800 -0.669 0.000 0.921 101 D HN 0.613 nan 8.370 nan 0.000 0.510 102 Y N -1.011 119.206 120.300 -0.138 0.000 2.485 102 Y HA 0.156 4.705 4.550 -0.001 0.000 0.260 102 Y C 1.478 177.430 175.900 0.086 0.000 1.173 102 Y CA -0.781 57.305 58.100 -0.023 0.000 1.252 102 Y CB -0.377 38.058 38.460 -0.042 0.000 1.123 102 Y HN -0.185 nan 8.280 nan 0.000 0.524 103 F N 1.096 121.004 119.950 -0.069 0.000 2.192 103 F HA -0.254 4.272 4.527 -0.001 0.000 0.301 103 F C 1.812 177.535 175.800 -0.129 0.000 1.079 103 F CA 1.023 58.847 58.000 -0.293 0.000 1.303 103 F CB -0.568 37.974 39.000 -0.763 0.000 1.024 103 F HN 0.240 nan 8.300 nan 0.000 0.494 104 D N -0.900 119.701 120.400 0.336 0.000 2.194 104 D HA -0.131 4.508 4.640 -0.001 0.000 0.204 104 D C 2.118 178.602 176.300 0.307 0.000 0.964 104 D CA 0.718 54.959 54.000 0.402 0.000 0.846 104 D CB -0.106 40.887 40.800 0.322 0.000 0.962 104 D HN 0.276 nan 8.370 nan 0.000 0.490 105 Q N 0.358 120.305 119.800 0.244 0.000 2.049 105 Q HA -0.070 4.269 4.340 -0.001 0.000 0.198 105 Q C 2.094 178.232 176.000 0.231 0.000 0.971 105 Q CA 0.598 56.499 55.803 0.162 0.000 0.833 105 Q CB -0.154 28.695 28.738 0.184 0.000 0.896 105 Q HN 0.086 nan 8.270 nan 0.000 0.434 106 L N -0.119 121.292 121.223 0.313 0.000 2.042 106 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 106 L C 2.269 179.510 176.870 0.619 0.000 1.076 106 L CA 2.197 57.276 54.840 0.398 0.000 0.749 106 L CB -1.413 40.857 42.059 0.352 0.000 0.893 106 L HN 0.447 nan 8.230 nan 0.000 0.432 107 H N -0.521 118.800 119.070 0.418 0.000 2.387 107 H HA -0.075 4.481 4.556 -0.001 0.000 0.299 107 H C 2.029 177.534 175.328 0.295 0.000 1.090 107 H CA 1.595 57.859 56.048 0.359 0.000 1.332 107 H CB 0.262 30.199 29.762 0.293 0.000 1.386 107 H HN 0.280 nan 8.280 nan 0.000 0.516 108 A N -0.284 122.648 122.820 0.187 0.000 1.898 108 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 108 A C 1.990 179.567 177.584 -0.012 0.000 1.181 108 A CA 1.298 53.339 52.037 0.007 0.000 0.620 108 A CB -0.985 17.968 19.000 -0.077 0.000 0.819 108 A HN 0.536 nan 8.150 nan 0.000 0.442 109 Y N 0.036 120.421 120.300 0.141 0.000 2.224 109 Y HA -0.071 4.478 4.550 -0.001 0.000 0.289 109 Y C 2.900 178.927 175.900 0.211 0.000 1.146 109 Y CA 0.506 58.694 58.100 0.147 0.000 1.182 109 Y CB -0.709 37.815 38.460 0.107 0.000 0.983 109 Y HN 0.330 nan 8.280 nan 0.000 0.524 110 A N -0.080 123.007 122.820 0.445 0.000 1.933 110 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 110 A C 2.254 179.804 177.584 -0.056 0.000 1.175 110 A CA 1.621 53.727 52.037 0.114 0.000 0.628 110 A CB -1.036 17.918 19.000 -0.078 0.000 0.814 110 A HN 0.478 nan 8.150 nan 0.000 0.444 111 I N -0.678 119.874 120.570 -0.029 0.000 2.493 111 I HA -0.223 3.946 4.170 -0.001 0.000 0.254 111 I C 2.479 178.599 176.117 0.005 0.000 1.160 111 I CA 1.597 62.875 61.300 -0.036 0.000 1.445 111 I CB -0.219 37.752 38.000 -0.048 0.000 1.086 111 I HN 0.562 nan 8.210 nan 0.000 0.433 112 E N 1.474 121.706 120.200 0.053 0.000 2.072 112 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 112 E C 2.364 178.993 176.600 0.049 0.000 0.985 112 E CA 0.968 57.407 56.400 0.065 0.000 0.801 112 E CB 0.043 29.825 29.700 0.136 0.000 0.750 112 E HN 0.442 nan 8.360 nan 0.000 0.452 113 L N 0.669 121.927 121.223 0.059 0.000 2.017 113 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 113 L C 2.588 179.473 176.870 0.025 0.000 1.073 113 L CA 1.017 55.882 54.840 0.041 0.000 0.745 113 L CB -0.429 41.669 42.059 0.065 0.000 0.894 113 L HN 0.267 nan 8.230 nan 0.000 0.432 114 I N 0.172 120.730 120.570 -0.019 0.000 2.127 114 I HA -0.353 3.817 4.170 -0.001 0.000 0.241 114 I C 2.060 178.188 176.117 0.018 0.000 1.075 114 I CA 1.930 63.220 61.300 -0.015 0.000 1.334 114 I CB -0.534 37.432 38.000 -0.057 0.000 1.040 114 I HN 0.351 nan 8.210 nan 0.000 0.405 115 N N 0.341 119.051 118.700 0.016 0.000 2.205 115 N HA -0.224 4.515 4.740 -0.001 0.000 0.186 115 N C 1.694 177.218 175.510 0.023 0.000 1.015 115 N CA 0.934 53.997 53.050 0.021 0.000 0.862 115 N CB -0.056 38.442 38.487 0.017 0.000 0.986 115 N HN 0.275 nan 8.380 nan 0.000 0.429 116 K N -0.041 120.373 120.400 0.024 0.000 2.487 116 K HA 0.028 4.347 4.320 -0.001 0.000 0.192 116 K C 0.708 177.332 176.600 0.040 0.000 1.027 116 K CA 0.383 56.684 56.287 0.022 0.000 1.054 116 K CB 0.297 32.801 32.500 0.006 0.000 0.824 116 K HN 0.253 nan 8.250 nan 0.000 0.510 117 G N 0.969 109.801 108.800 0.053 0.000 2.143 117 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.249 117 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.249 117 G C 0.368 175.338 174.900 0.117 0.000 0.981 117 G CA 0.234 45.377 45.100 0.072 0.000 0.665 117 G HN 0.300 nan 8.290 nan 0.000 0.528 118 L N -0.119 121.189 121.223 0.141 0.000 2.741 118 L HA 0.661 5.000 4.340 -0.001 0.000 0.237 118 L C 0.945 177.974 176.870 0.264 0.000 1.178 118 L CA 0.504 55.497 54.840 0.255 0.000 0.973 118 L CB 0.056 42.300 42.059 0.309 0.000 1.255 118 L HN 0.604 nan 8.230 nan 0.000 0.498 119 A N 0.062 122.981 122.820 0.164 0.000 2.589 119 A HA 0.708 5.027 4.320 -0.001 0.000 0.296 119 A C -1.734 175.899 177.584 0.082 0.000 1.062 119 A CA -0.441 51.623 52.037 0.045 0.000 0.686 119 A CB 1.368 20.307 19.000 -0.103 0.000 1.282 119 A HN 0.196 nan 8.150 nan 0.000 0.404 120 Y N -1.390 118.852 120.300 -0.096 0.000 2.638 120 Y HA 0.717 5.266 4.550 -0.001 0.000 0.335 120 Y C -1.188 174.653 175.900 -0.098 0.000 1.155 120 Y CA -1.580 56.475 58.100 -0.074 0.000 1.046 120 Y CB 0.918 39.364 38.460 -0.024 0.000 1.303 120 Y HN 0.481 nan 8.280 nan 0.000 0.460 121 V N 2.870 122.777 119.914 -0.012 0.000 2.385 121 V HA 0.253 4.373 4.120 -0.001 0.000 0.269 121 V C -0.624 175.451 176.094 -0.030 0.000 1.043 121 V CA -0.039 62.202 62.300 -0.099 0.000 0.906 121 V CB 0.689 32.503 31.823 -0.016 0.000 0.995 121 V HN 0.768 nan 8.190 nan 0.000 0.467 122 D N 3.332 123.638 120.400 -0.155 0.000 2.181 122 D HA 0.361 5.000 4.640 -0.001 0.000 0.248 122 D C 0.595 176.717 176.300 -0.296 0.000 1.020 122 D CA -0.462 53.495 54.000 -0.072 0.000 0.891 122 D CB 1.815 42.616 40.800 0.001 0.000 1.187 122 D HN 0.614 nan 8.370 nan 0.000 0.443 123 E N 1.720 121.612 120.200 -0.513 0.000 2.603 123 E HA 0.089 4.438 4.350 -0.001 0.000 0.211 123 E C -0.051 176.387 176.600 -0.270 0.000 0.995 123 E CA -0.556 55.501 56.400 -0.572 0.000 0.990 123 E CB 0.723 29.884 29.700 -0.900 0.000 1.036 123 E HN 0.204 nan 8.360 nan 0.000 0.475 124 L N 3.142 124.313 121.223 -0.087 0.000 2.499 124 L HA 0.001 4.340 4.340 -0.001 0.000 0.273 124 L C 1.107 177.947 176.870 -0.050 0.000 1.195 124 L CA 0.534 55.362 54.840 -0.020 0.000 0.882 124 L CB 0.500 42.499 42.059 -0.101 0.000 1.133 124 L HN 0.105 nan 8.230 nan 0.000 0.483 125 T N 2.204 116.750 114.554 -0.014 0.000 2.680 125 T HA 0.136 4.485 4.350 -0.001 0.000 0.314 125 T C -1.704 172.995 174.700 -0.001 0.000 1.045 125 T CA -1.047 61.049 62.100 -0.007 0.000 1.025 125 T CB 0.142 69.023 68.868 0.022 0.000 1.000 125 T HN 0.494 nan 8.240 nan 0.000 0.535 126 P HA -0.008 nan 4.420 nan 0.000 0.222 126 P C 1.116 178.432 177.300 0.027 0.000 1.147 126 P CA 0.856 63.963 63.100 0.012 0.000 0.790 126 P CB 0.068 31.779 31.700 0.019 0.000 0.780 127 E N -0.821 119.401 120.200 0.036 0.000 2.076 127 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 127 E C 2.087 178.730 176.600 0.072 0.000 0.979 127 E CA 1.002 57.432 56.400 0.049 0.000 0.807 127 E CB -0.755 28.975 29.700 0.049 0.000 0.761 127 E HN 0.326 nan 8.360 nan 0.000 0.454 128 Q N 0.380 120.227 119.800 0.079 0.000 2.084 128 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 128 Q C 2.326 178.410 176.000 0.141 0.000 0.978 128 Q CA 1.128 57.010 55.803 0.133 0.000 0.844 128 Q CB -0.222 28.565 28.738 0.082 0.000 0.898 128 Q HN 0.332 nan 8.270 nan 0.000 0.426 129 I N 0.706 121.306 120.570 0.051 0.000 2.208 129 I HA -0.350 3.819 4.170 -0.001 0.000 0.245 129 I C 2.593 178.768 176.117 0.097 0.000 1.097 129 I CA 1.297 62.623 61.300 0.044 0.000 1.363 129 I CB -0.047 37.955 38.000 0.003 0.000 1.051 129 I HN 0.155 nan 8.210 nan 0.000 0.413 130 R N 0.852 121.401 120.500 0.082 0.000 2.066 130 R HA -0.195 4.144 4.340 -0.001 0.000 0.232 130 R C 2.074 178.431 176.300 0.095 0.000 1.131 130 R CA 1.889 58.032 56.100 0.072 0.000 0.955 130 R CB -0.240 30.090 30.300 0.050 0.000 0.851 130 R HN 0.479 nan 8.270 nan 0.000 0.432 131 E N -0.871 119.405 120.200 0.126 0.000 2.204 131 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 131 E C 1.368 178.040 176.600 0.120 0.000 0.990 131 E CA 1.113 57.581 56.400 0.113 0.000 0.821 131 E CB -0.003 29.773 29.700 0.127 0.000 0.750 131 E HN 0.450 nan 8.360 nan 0.000 0.477 132 Y N 0.147 120.456 120.300 0.015 0.000 2.510 132 Y HA 0.105 4.654 4.550 -0.001 0.000 0.273 132 Y C 2.122 178.028 175.900 0.010 0.000 1.119 132 Y CA 0.186 58.294 58.100 0.014 0.000 1.286 132 Y CB 0.221 38.696 38.460 0.025 0.000 1.061 132 Y HN -0.140 nan 8.280 nan 0.000 0.542 133 R N 0.339 120.932 120.500 0.155 0.000 2.193 133 R HA 0.022 4.362 4.340 -0.001 0.000 0.229 133 R C 0.944 177.272 176.300 0.047 0.000 1.110 133 R CA 0.998 57.151 56.100 0.087 0.000 0.988 133 R CB -0.434 29.903 30.300 0.063 0.000 0.871 133 R HN 0.524 nan 8.270 nan 0.000 0.458 134 G N -0.836 107.980 108.800 0.027 0.000 2.587 134 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.212 134 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.212 134 G C -0.235 174.665 174.900 -0.000 0.000 1.327 134 G CA -0.249 44.853 45.100 0.002 0.000 0.898 134 G HN 0.422 nan 8.290 nan 0.000 0.551 135 T N -3.039 111.509 114.554 -0.010 0.000 2.716 135 T HA 0.682 5.031 4.350 -0.001 0.000 0.286 135 T C 1.569 176.258 174.700 -0.019 0.000 1.052 135 T CA 0.032 62.124 62.100 -0.013 0.000 1.024 135 T CB 1.166 70.024 68.868 -0.017 0.000 1.349 135 T HN 0.991 nan 8.240 nan 0.000 0.525 136 L N 0.766 121.975 121.223 -0.024 0.000 2.265 136 L HA 0.038 4.377 4.340 -0.001 0.000 0.215 136 L C 2.368 179.214 176.870 -0.040 0.000 1.117 136 L CA 1.765 56.585 54.840 -0.033 0.000 0.782 136 L CB -0.656 41.382 42.059 -0.035 0.000 0.914 136 L HN 1.018 nan 8.230 nan 0.000 0.441 137 T N -5.522 109.011 114.554 -0.034 0.000 3.043 137 T HA 0.107 4.456 4.350 -0.001 0.000 0.272 137 T C 0.394 175.075 174.700 -0.031 0.000 0.990 137 T CA -0.356 61.722 62.100 -0.036 0.000 0.897 137 T CB 0.440 69.288 68.868 -0.033 0.000 1.111 137 T HN 0.132 nan 8.240 nan 0.000 0.529 138 Q N 2.410 122.194 119.800 -0.028 0.000 2.321 138 Q HA 0.452 4.791 4.340 -0.001 0.000 0.270 138 Q C -2.867 173.119 176.000 -0.023 0.000 1.032 138 Q CA -2.686 53.101 55.803 -0.026 0.000 0.784 138 Q CB 2.607 31.329 28.738 -0.027 0.000 1.264 138 Q HN 0.114 nan 8.270 nan 0.000 0.448 139 P HA 0.069 nan 4.420 nan 0.000 0.271 139 P C -0.207 177.087 177.300 -0.011 0.000 1.244 139 P CA 0.033 63.124 63.100 -0.015 0.000 0.793 139 P CB 0.739 32.431 31.700 -0.015 0.000 0.984 140 G N 0.473 109.276 108.800 0.004 0.000 2.537 140 G HA2 0.588 4.547 3.960 -0.001 0.000 0.297 140 G HA3 0.588 4.547 3.960 -0.001 0.000 0.297 140 G C -0.716 174.197 174.900 0.021 0.000 1.310 140 G CA -0.756 44.356 45.100 0.020 0.000 1.027 140 G HN 0.666 nan 8.290 nan 0.000 0.505 141 K N -0.998 119.435 120.400 0.054 0.000 2.435 141 K HA 0.338 4.658 4.320 -0.001 0.000 0.251 141 K C -0.843 175.874 176.600 0.195 0.000 0.954 141 K CA -0.889 55.435 56.287 0.062 0.000 0.820 141 K CB 2.000 34.470 32.500 -0.050 0.000 1.292 141 K HN 0.481 nan 8.250 nan 0.000 0.436 142 N N 0.869 119.651 118.700 0.137 0.000 2.492 142 N HA -0.031 4.709 4.740 -0.001 0.000 0.260 142 N C -0.394 175.226 175.510 0.183 0.000 1.215 142 N CA -0.125 52.996 53.050 0.118 0.000 0.923 142 N CB 1.031 39.529 38.487 0.017 0.000 1.092 142 N HN 0.585 nan 8.380 nan 0.000 0.448 143 S N 1.840 117.567 115.700 0.045 0.000 2.585 143 S HA 0.142 4.612 4.470 -0.001 0.000 0.273 143 S C -1.341 173.170 174.600 -0.150 0.000 1.339 143 S CA -1.448 56.673 58.200 -0.132 0.000 1.028 143 S CB 0.633 63.810 63.200 -0.038 0.000 0.906 143 S HN 0.460 nan 8.310 nan 0.000 0.528 144 P HA 0.038 nan 4.420 nan 0.000 0.241 144 P C -0.142 176.876 177.300 -0.469 0.000 1.191 144 P CA 0.766 63.627 63.100 -0.397 0.000 0.771 144 P CB -0.146 31.252 31.700 -0.504 0.000 0.929 145 Y N -0.953 119.309 120.300 -0.064 0.000 2.485 145 Y HA 0.329 4.878 4.550 -0.001 0.000 0.260 145 Y C 2.522 178.334 175.900 -0.145 0.000 1.173 145 Y CA -0.434 57.642 58.100 -0.040 0.000 1.252 145 Y CB -0.518 37.959 38.460 0.027 0.000 1.123 145 Y HN -0.183 nan 8.280 nan 0.000 0.524 146 R N 0.700 121.050 120.500 -0.250 0.000 2.193 146 R HA -0.107 4.233 4.340 -0.001 0.000 0.229 146 R C -0.061 175.926 176.300 -0.521 0.000 1.110 146 R CA 1.414 57.050 56.100 -0.774 0.000 0.988 146 R CB 0.055 30.003 30.300 -0.587 0.000 0.871 146 R HN 0.229 nan 8.270 nan 0.000 0.458 147 D N 0.535 120.798 120.400 -0.228 0.000 2.643 147 D HA 0.078 4.718 4.640 -0.001 0.000 0.244 147 D C -0.225 176.048 176.300 -0.044 0.000 1.257 147 D CA -0.066 53.858 54.000 -0.127 0.000 0.831 147 D CB 0.369 41.112 40.800 -0.093 0.000 1.043 147 D HN 0.150 nan 8.370 nan 0.000 0.488 148 R N 0.602 121.098 120.500 -0.006 0.000 2.801 148 R HA 0.215 4.555 4.340 -0.001 0.000 0.273 148 R C 1.002 177.326 176.300 0.040 0.000 1.080 148 R CA -0.124 56.004 56.100 0.047 0.000 1.197 148 R CB 0.498 30.857 30.300 0.098 0.000 1.109 148 R HN 0.059 nan 8.270 nan 0.000 0.535 149 S N -0.607 115.120 115.700 0.046 0.000 2.617 149 S HA 0.073 4.543 4.470 -0.001 0.000 0.269 149 S C 1.459 176.089 174.600 0.050 0.000 1.292 149 S CA -0.992 57.231 58.200 0.040 0.000 1.010 149 S CB 1.409 64.629 63.200 0.034 0.000 0.944 149 S HN 0.354 nan 8.310 nan 0.000 0.536 150 V N 1.894 121.834 119.914 0.043 0.000 2.317 150 V HA -0.223 3.896 4.120 -0.001 0.000 0.251 150 V C 2.579 178.702 176.094 0.048 0.000 1.065 150 V CA 2.529 64.856 62.300 0.045 0.000 1.049 150 V CB -1.337 30.507 31.823 0.035 0.000 0.651 150 V HN 0.898 nan 8.190 nan 0.000 0.450 151 E N -0.063 120.163 120.200 0.043 0.000 2.085 151 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 151 E C 2.197 178.830 176.600 0.055 0.000 0.994 151 E CA 1.569 57.995 56.400 0.043 0.000 0.801 151 E CB -0.273 29.448 29.700 0.035 0.000 0.743 151 E HN 0.677 nan 8.360 nan 0.000 0.453 152 E N 0.201 120.438 120.200 0.061 0.000 2.028 152 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 152 E C 1.902 178.559 176.600 0.094 0.000 0.988 152 E CA 1.062 57.507 56.400 0.075 0.000 0.799 152 E CB -0.222 29.526 29.700 0.080 0.000 0.755 152 E HN 0.302 nan 8.360 nan 0.000 0.447 153 N N 0.498 119.254 118.700 0.094 0.000 2.104 153 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 153 N C 1.691 177.275 175.510 0.123 0.000 1.024 153 N CA 0.622 53.732 53.050 0.101 0.000 0.853 153 N CB -0.036 38.499 38.487 0.079 0.000 1.008 153 N HN -0.009 nan 8.380 nan 0.000 0.424 154 L N 0.944 122.230 121.223 0.105 0.000 2.046 154 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 154 L C 2.269 179.217 176.870 0.129 0.000 1.077 154 L CA 1.425 56.338 54.840 0.121 0.000 0.747 154 L CB -1.053 41.053 42.059 0.077 0.000 0.896 154 L HN 0.166 nan 8.230 nan 0.000 0.432 155 A N -1.599 121.281 122.820 0.099 0.000 1.897 155 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 155 A C 2.119 179.765 177.584 0.104 0.000 1.181 155 A CA 1.182 53.266 52.037 0.077 0.000 0.620 155 A CB -0.607 18.428 19.000 0.057 0.000 0.821 155 A HN 0.305 nan 8.150 nan 0.000 0.443 156 L N -1.717 119.600 121.223 0.156 0.000 2.093 156 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 156 L C 2.187 179.241 176.870 0.306 0.000 1.085 156 L CA 1.391 56.377 54.840 0.244 0.000 0.755 156 L CB -1.242 40.955 42.059 0.229 0.000 0.904 156 L HN 0.500 nan 8.230 nan 0.000 0.435 157 F N 0.829 120.817 119.950 0.063 0.000 2.186 157 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 157 F C 2.482 178.307 175.800 0.042 0.000 1.090 157 F CA 1.576 59.587 58.000 0.017 0.000 1.307 157 F CB -0.226 38.743 39.000 -0.052 0.000 1.019 157 F HN 0.210 nan 8.300 nan 0.000 0.489 158 E N 0.775 120.969 120.200 -0.010 0.000 2.106 158 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 158 E C 2.268 178.810 176.600 -0.096 0.000 0.984 158 E CA 1.440 57.770 56.400 -0.116 0.000 0.806 158 E CB -0.460 29.215 29.700 -0.040 0.000 0.750 158 E HN 0.245 nan 8.360 nan 0.000 0.458 159 K N -0.054 120.335 120.400 -0.018 0.000 2.032 159 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 159 K C 2.179 178.783 176.600 0.006 0.000 1.048 159 K CA 1.653 57.903 56.287 -0.062 0.000 0.927 159 K CB -0.260 32.160 32.500 -0.134 0.000 0.712 159 K HN 0.278 nan 8.250 nan 0.000 0.441 160 M N 0.081 119.782 119.600 0.168 0.000 2.065 160 M HA -0.218 4.261 4.480 -0.001 0.000 0.259 160 M C 2.458 178.728 176.300 -0.050 0.000 1.071 160 M CA 1.674 57.089 55.300 0.193 0.000 1.109 160 M CB -0.386 32.319 32.600 0.176 0.000 1.313 160 M HN 0.109 nan 8.290 nan 0.000 0.408 161 R N 0.283 120.639 120.500 -0.239 0.000 2.091 161 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 161 R C 1.710 177.876 176.300 -0.224 0.000 1.136 161 R CA 1.754 57.664 56.100 -0.316 0.000 0.959 161 R CB -0.293 29.728 30.300 -0.466 0.000 0.856 161 R HN 0.405 nan 8.270 nan 0.000 0.437 162 A N -0.343 122.378 122.820 -0.166 0.000 2.252 162 A HA 0.173 4.492 4.320 -0.001 0.000 0.207 162 A C 1.120 178.680 177.584 -0.041 0.000 1.194 162 A CA 0.830 52.792 52.037 -0.124 0.000 0.809 162 A CB -0.275 18.655 19.000 -0.117 0.000 0.814 162 A HN 0.565 nan 8.150 nan 0.000 0.482 163 G N -1.967 106.844 108.800 0.018 0.000 2.160 163 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.251 163 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.251 163 G C 1.049 176.056 174.900 0.179 0.000 1.008 163 G CA 0.474 45.699 45.100 0.207 0.000 0.724 163 G HN 1.257 nan 8.290 nan 0.000 0.514 164 G N -1.033 107.789 108.800 0.036 0.000 2.572 164 G HA2 0.366 4.325 3.960 -0.001 0.000 0.216 164 G HA3 0.366 4.325 3.960 -0.001 0.000 0.216 164 G C 0.398 175.196 174.900 -0.170 0.000 1.133 164 G CA 0.341 45.369 45.100 -0.120 0.000 0.791 164 G HN 0.418 nan 8.290 nan 0.000 0.538 165 F N 0.483 120.500 119.950 0.111 0.000 2.492 165 F HA 0.460 4.986 4.527 -0.001 0.000 0.327 165 F C 0.464 176.390 175.800 0.209 0.000 1.079 165 F CA -1.271 56.793 58.000 0.107 0.000 0.967 165 F CB 1.657 40.695 39.000 0.064 0.000 1.169 165 F HN -0.034 nan 8.300 nan 0.000 0.472 166 E N 0.876 121.307 120.200 0.385 0.000 2.374 166 E HA 0.136 4.486 4.350 -0.001 0.000 0.260 166 E C -0.576 176.217 176.600 0.322 0.000 1.101 166 E CA -0.575 56.014 56.400 0.314 0.000 0.907 166 E CB 0.529 30.333 29.700 0.174 0.000 1.014 166 E HN 0.520 nan 8.360 nan 0.000 0.427 167 E N 0.070 120.478 120.200 0.346 0.000 2.442 167 E HA 0.028 4.377 4.350 -0.001 0.000 0.262 167 E C 0.843 177.517 176.600 0.124 0.000 1.004 167 E CA 0.719 57.257 56.400 0.230 0.000 0.928 167 E CB 0.331 30.175 29.700 0.240 0.000 0.937 167 E HN 0.817 nan 8.360 nan 0.000 0.446 168 G N 2.962 111.802 108.800 0.066 0.000 2.284 168 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.261 168 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.261 168 G C 1.148 176.035 174.900 -0.022 0.000 0.997 168 G CA 0.760 45.873 45.100 0.022 0.000 0.621 168 G HN 0.470 nan 8.290 nan 0.000 0.534 169 K N 0.751 121.145 120.400 -0.010 0.000 2.362 169 K HA 0.570 4.889 4.320 -0.001 0.000 0.200 169 K C 1.111 177.523 176.600 -0.314 0.000 1.046 169 K CA 1.477 57.723 56.287 -0.069 0.000 0.952 169 K CB 0.012 32.567 32.500 0.091 0.000 0.753 169 K HN 1.387 nan 8.250 nan 0.000 0.466 170 A N -1.268 121.329 122.820 -0.372 0.000 2.608 170 A HA 0.603 4.923 4.320 -0.001 0.000 0.292 170 A C -1.247 176.163 177.584 -0.289 0.000 1.066 170 A CA -0.594 51.124 52.037 -0.532 0.000 0.676 170 A CB 0.617 18.891 19.000 -1.209 0.000 1.277 170 A HN 0.266 nan 8.150 nan 0.000 0.413 171 C N -0.307 118.845 119.300 -0.247 0.000 3.311 171 C HA 0.847 5.306 4.460 -0.001 0.000 0.325 171 C C -1.429 173.446 174.990 -0.191 0.000 1.352 171 C CA -0.803 58.128 59.018 -0.146 0.000 1.308 171 C CB 0.506 28.173 27.740 -0.121 0.000 1.619 171 C HN 1.530 nan 8.230 nan 0.000 0.469 172 L N 2.109 123.230 121.223 -0.170 0.000 2.295 172 L HA 0.758 5.097 4.340 -0.001 0.000 0.285 172 L C 0.031 176.677 176.870 -0.373 0.000 1.035 172 L CA -0.001 54.643 54.840 -0.327 0.000 0.806 172 L CB 0.718 42.517 42.059 -0.434 0.000 1.214 172 L HN 0.811 nan 8.230 nan 0.000 0.426 173 R N 3.446 123.603 120.500 -0.572 0.000 2.803 173 R HA 0.781 5.121 4.340 -0.001 0.000 0.276 173 R C -0.941 175.061 176.300 -0.498 0.000 0.978 173 R CA -0.965 54.807 56.100 -0.546 0.000 0.939 173 R CB 1.907 31.789 30.300 -0.698 0.000 1.179 173 R HN 0.756 nan 8.270 nan 0.000 0.472 174 A N 1.650 124.293 122.820 -0.295 0.000 2.316 174 A HA 0.250 4.570 4.320 -0.001 0.000 0.284 174 A C -0.213 177.342 177.584 -0.048 0.000 1.115 174 A CA -0.318 51.615 52.037 -0.173 0.000 0.812 174 A CB 0.480 19.291 19.000 -0.316 0.000 1.064 174 A HN 0.603 nan 8.150 nan 0.000 0.489 175 K N 3.129 123.599 120.400 0.116 0.000 2.296 175 K HA 0.487 4.807 4.320 -0.001 0.000 0.257 175 K C -0.348 176.277 176.600 0.042 0.000 1.088 175 K CA -0.159 56.244 56.287 0.194 0.000 0.980 175 K CB -0.107 32.546 32.500 0.256 0.000 1.430 175 K HN 0.746 nan 8.250 nan 0.000 0.441 176 I N 0.338 120.849 120.570 -0.098 0.000 5.247 176 I HA 0.268 4.438 4.170 -0.001 0.000 0.240 176 I C -0.241 175.841 176.117 -0.059 0.000 0.809 176 I CA -0.568 60.625 61.300 -0.177 0.000 2.363 176 I CB 0.315 38.025 38.000 -0.485 0.000 1.461 176 I HN 0.368 nan 8.210 nan 0.000 0.496 177 D N 0.374 120.733 120.400 -0.068 0.000 2.479 177 D HA 0.271 4.911 4.640 -0.001 0.000 0.246 177 D C 0.304 176.601 176.300 -0.004 0.000 1.336 177 D CA -0.331 53.661 54.000 -0.014 0.000 0.967 177 D CB 1.272 42.075 40.800 0.006 0.000 1.275 177 D HN 0.135 nan 8.370 nan 0.000 0.577 178 M N 1.899 121.505 119.600 0.010 0.000 2.700 178 M HA 0.103 4.582 4.480 -0.001 0.000 0.249 178 M C 1.021 177.332 176.300 0.019 0.000 1.082 178 M CA 0.513 55.827 55.300 0.023 0.000 1.077 178 M CB -0.631 31.994 32.600 0.041 0.000 1.477 178 M HN 0.496 nan 8.290 nan 0.000 0.529 179 A N -0.744 122.085 122.820 0.014 0.000 2.637 179 A HA 0.269 4.588 4.320 -0.001 0.000 0.293 179 A C 0.703 178.294 177.584 0.011 0.000 1.216 179 A CA -0.268 51.774 52.037 0.008 0.000 0.956 179 A CB 0.043 19.046 19.000 0.004 0.000 1.174 179 A HN 0.227 nan 8.150 nan 0.000 0.525 180 S N 1.176 116.891 115.700 0.024 0.000 2.565 180 S HA 0.362 4.831 4.470 -0.001 0.000 0.276 180 S C -0.975 173.634 174.600 0.016 0.000 1.326 180 S CA -1.100 57.128 58.200 0.048 0.000 1.045 180 S CB 0.792 64.049 63.200 0.094 0.000 0.918 180 S HN 0.329 nan 8.310 nan 0.000 0.505 181 P HA 0.022 nan 4.420 nan 0.000 0.223 181 P C -0.149 177.033 177.300 -0.197 0.000 1.151 181 P CA 0.592 63.599 63.100 -0.154 0.000 0.787 181 P CB -0.043 31.503 31.700 -0.257 0.000 0.788 182 F N 0.233 120.175 119.950 -0.014 0.000 2.421 182 F HA 0.203 4.729 4.527 -0.001 0.000 0.358 182 F C 2.018 177.805 175.800 -0.023 0.000 1.115 182 F CA -0.333 57.658 58.000 -0.015 0.000 1.160 182 F CB 0.197 39.191 39.000 -0.010 0.000 1.123 182 F HN -0.260 nan 8.300 nan 0.000 0.508 183 I N 2.462 123.114 120.570 0.137 0.000 2.546 183 I HA -0.185 3.984 4.170 -0.001 0.000 0.255 183 I C 2.189 178.345 176.117 0.064 0.000 1.163 183 I CA 0.608 61.951 61.300 0.071 0.000 1.457 183 I CB -0.185 37.838 38.000 0.037 0.000 1.092 183 I HN 0.475 nan 8.210 nan 0.000 0.434 184 V N 1.178 121.146 119.914 0.090 0.000 2.720 184 V HA -0.206 3.913 4.120 -0.001 0.000 0.256 184 V C 2.056 178.144 176.094 -0.011 0.000 1.082 184 V CA 1.438 63.765 62.300 0.045 0.000 1.101 184 V CB -0.176 31.683 31.823 0.059 0.000 0.693 184 V HN 0.349 nan 8.190 nan 0.000 0.479 185 M N -0.355 119.245 119.600 -0.000 0.000 2.494 185 M HA 0.213 4.692 4.480 -0.001 0.000 0.232 185 M C 0.751 176.996 176.300 -0.092 0.000 1.137 185 M CA 0.446 55.690 55.300 -0.093 0.000 1.012 185 M CB -0.457 32.111 32.600 -0.053 0.000 1.567 185 M HN 0.190 nan 8.290 nan 0.000 0.486 186 R N 2.007 122.485 120.500 -0.037 0.000 3.701 186 R HA 0.125 4.464 4.340 -0.001 0.000 0.210 186 R C -0.687 175.593 176.300 -0.035 0.000 1.598 186 R CA -0.168 55.919 56.100 -0.021 0.000 1.427 186 R CB -0.633 29.674 30.300 0.013 0.000 1.339 186 R HN 0.164 nan 8.270 nan 0.000 0.720 187 D N 1.543 121.895 120.400 -0.080 0.000 2.737 187 D HA -0.109 4.530 4.640 -0.001 0.000 0.238 187 D C -2.268 173.964 176.300 -0.114 0.000 1.157 187 D CA 0.569 54.523 54.000 -0.078 0.000 0.694 187 D CB -0.455 40.377 40.800 0.053 0.000 1.021 187 D HN 0.360 nan 8.370 nan 0.000 0.420 188 P HA -0.031 nan 4.420 nan 0.000 0.266 188 P C 0.347 177.560 177.300 -0.146 0.000 1.195 188 P CA -0.264 62.766 63.100 -0.117 0.000 0.768 188 P CB 0.817 32.454 31.700 -0.104 0.000 0.838 189 V N 4.336 124.181 119.914 -0.115 0.000 2.740 189 V HA -0.092 4.027 4.120 -0.001 0.000 0.303 189 V C 1.741 177.745 176.094 -0.150 0.000 1.054 189 V CA 0.426 62.642 62.300 -0.140 0.000 1.106 189 V CB 0.407 32.178 31.823 -0.088 0.000 0.957 189 V HN 0.474 nan 8.190 nan 0.000 0.486 190 L N 4.302 125.395 121.223 -0.218 0.000 2.362 190 L HA 0.376 4.715 4.340 -0.001 0.000 0.204 190 L C -0.034 176.651 176.870 -0.309 0.000 1.060 190 L CA 0.966 55.602 54.840 -0.341 0.000 0.827 190 L CB -0.281 41.450 42.059 -0.547 0.000 1.027 190 L HN 0.585 nan 8.230 nan 0.000 0.474 191 Y N -0.706 119.480 120.300 -0.190 0.000 2.524 191 Y HA 0.576 5.125 4.550 -0.001 0.000 0.347 191 Y C -0.298 175.581 175.900 -0.035 0.000 1.005 191 Y CA -1.217 56.847 58.100 -0.058 0.000 1.025 191 Y CB 1.608 40.096 38.460 0.046 0.000 1.275 191 Y HN -0.006 nan 8.280 nan 0.000 0.460 192 R N 1.135 121.731 120.500 0.161 0.000 2.771 192 R HA 0.726 5.065 4.340 -0.001 0.000 0.274 192 R C -1.880 174.482 176.300 0.103 0.000 0.987 192 R CA -0.832 55.325 56.100 0.094 0.000 0.908 192 R CB 1.173 31.507 30.300 0.057 0.000 1.213 192 R HN 0.531 nan 8.270 nan 0.000 0.468 193 I N 1.660 122.256 120.570 0.043 0.000 2.441 193 I HA 0.312 4.482 4.170 -0.001 0.000 0.287 193 I C -0.173 175.931 176.117 -0.022 0.000 1.049 193 I CA -0.186 61.090 61.300 -0.040 0.000 1.381 193 I CB 0.854 38.828 38.000 -0.044 0.000 1.409 193 I HN 0.449 nan 8.210 nan 0.000 0.523 194 K N 6.680 127.025 120.400 -0.091 0.000 2.656 194 K HA 0.303 4.622 4.320 -0.001 0.000 0.253 194 K C -1.403 175.188 176.600 -0.015 0.000 1.002 194 K CA -0.498 55.816 56.287 0.046 0.000 0.880 194 K CB 1.537 34.151 32.500 0.190 0.000 1.232 194 K HN 0.318 nan 8.250 nan 0.000 0.456 195 F N 2.361 122.423 119.950 0.187 0.000 2.605 195 F HA 0.326 4.853 4.527 -0.001 0.000 0.352 195 F C 0.544 176.438 175.800 0.157 0.000 1.236 195 F CA -0.403 57.694 58.000 0.162 0.000 1.267 195 F CB 0.737 39.799 39.000 0.103 0.000 1.632 195 F HN 0.396 nan 8.300 nan 0.000 0.639 196 A N 1.713 124.709 122.820 0.293 0.000 2.398 196 A HA 0.433 4.752 4.320 -0.001 0.000 0.301 196 A C -0.509 177.215 177.584 0.232 0.000 1.041 196 A CA -0.785 51.377 52.037 0.208 0.000 0.711 196 A CB 0.918 19.987 19.000 0.115 0.000 1.240 196 A HN 0.462 nan 8.150 nan 0.000 0.420 197 E N 2.046 122.357 120.200 0.186 0.000 2.376 197 E HA 0.055 4.404 4.350 -0.001 0.000 0.266 197 E C -0.656 176.055 176.600 0.186 0.000 1.009 197 E CA -0.158 56.359 56.400 0.194 0.000 0.902 197 E CB 0.358 30.139 29.700 0.134 0.000 0.972 197 E HN 0.726 nan 8.360 nan 0.000 0.439 198 H N 3.460 122.604 119.070 0.124 0.000 2.502 198 H HA 0.032 4.587 4.556 -0.001 0.000 0.327 198 H C 0.670 175.970 175.328 -0.047 0.000 1.099 198 H CA -0.237 55.821 56.048 0.016 0.000 1.323 198 H CB 0.830 30.669 29.762 0.128 0.000 1.450 198 H HN 0.759 nan 8.280 nan 0.000 0.502 199 H N 1.841 120.745 119.070 -0.276 0.000 2.557 199 H HA -0.076 4.479 4.556 -0.001 0.000 0.287 199 H C 0.692 175.958 175.328 -0.104 0.000 1.043 199 H CA 1.118 57.052 56.048 -0.189 0.000 1.226 199 H CB 0.365 29.972 29.762 -0.258 0.000 1.361 199 H HN 0.490 nan 8.280 nan 0.000 0.592 200 Q N -0.078 119.669 119.800 -0.087 0.000 2.471 200 Q HA 0.088 4.428 4.340 -0.001 0.000 0.259 200 Q C 1.463 177.503 176.000 0.068 0.000 0.850 200 Q CA 1.417 57.202 55.803 -0.030 0.000 0.981 200 Q CB 0.655 29.285 28.738 -0.181 0.000 1.180 200 Q HN 0.699 nan 8.270 nan 0.000 0.571 201 T N -2.171 112.529 114.554 0.243 0.000 3.092 201 T HA 0.431 4.780 4.350 -0.001 0.000 0.258 201 T C 1.175 176.006 174.700 0.217 0.000 1.031 201 T CA 0.514 62.738 62.100 0.206 0.000 0.925 201 T CB 0.560 69.610 68.868 0.303 0.000 1.036 201 T HN 0.353 nan 8.240 nan 0.000 0.544 202 G N 3.114 112.031 108.800 0.196 0.000 2.651 202 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.315 202 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.315 202 G C 0.331 175.348 174.900 0.196 0.000 1.258 202 G CA 0.436 45.630 45.100 0.156 0.000 1.002 202 G HN 0.553 nan 8.290 nan 0.000 0.551 203 N N 1.103 119.883 118.700 0.133 0.000 2.458 203 N HA 0.133 4.872 4.740 -0.001 0.000 0.274 203 N C 1.410 176.948 175.510 0.047 0.000 1.242 203 N CA 0.344 53.470 53.050 0.126 0.000 0.904 203 N CB 1.122 39.670 38.487 0.102 0.000 1.206 203 N HN 0.654 nan 8.380 nan 0.000 0.510 204 K N -0.100 120.317 120.400 0.028 0.000 2.228 204 K HA -0.006 4.314 4.320 -0.001 0.000 0.202 204 K C -0.463 175.887 176.600 -0.417 0.000 1.051 204 K CA 0.706 56.878 56.287 -0.191 0.000 0.960 204 K CB 0.359 32.750 32.500 -0.182 0.000 0.743 204 K HN 0.067 nan 8.250 nan 0.000 0.458 205 W N -0.533 120.684 121.300 -0.138 0.000 2.736 205 W HA 0.235 4.894 4.660 -0.001 0.000 0.335 205 W C 0.519 176.787 176.519 -0.419 0.000 1.059 205 W CA -1.214 55.917 57.345 -0.356 0.000 1.226 205 W CB 1.418 30.521 29.460 -0.595 0.000 1.416 205 W HN 0.063 nan 8.180 nan 0.000 0.505 206 C N 0.693 119.853 119.300 -0.233 0.000 3.392 206 C HA 0.541 5.000 4.460 -0.001 0.000 0.301 206 C C 0.472 175.211 174.990 -0.418 0.000 1.354 206 C CA -0.348 58.468 59.018 -0.337 0.000 1.732 206 C CB -1.549 25.927 27.740 -0.439 0.000 2.269 206 C HN 0.448 nan 8.230 nan 0.000 0.673 207 I N -1.332 118.985 120.570 -0.422 0.000 2.474 207 I HA 0.792 4.962 4.170 -0.001 0.000 0.294 207 I C -1.388 174.438 176.117 -0.484 0.000 1.005 207 I CA -0.878 60.283 61.300 -0.231 0.000 1.113 207 I CB 1.210 39.187 38.000 -0.038 0.000 1.289 207 I HN 0.044 nan 8.210 nan 0.000 0.436 208 Y N 4.418 124.734 120.300 0.027 0.000 2.499 208 Y HA 0.608 5.157 4.550 -0.001 0.000 0.347 208 Y C -2.505 173.187 175.900 -0.347 0.000 0.987 208 Y CA -2.368 55.595 58.100 -0.229 0.000 1.044 208 Y CB 2.355 40.709 38.460 -0.177 0.000 1.245 208 Y HN 0.436 nan 8.280 nan 0.000 0.461 209 P HA 0.166 nan 4.420 nan 0.000 0.282 209 P C -0.656 176.538 177.300 -0.177 0.000 1.249 209 P CA -0.261 62.443 63.100 -0.660 0.000 0.806 209 P CB 1.007 32.450 31.700 -0.428 0.000 0.984 210 M N 2.578 122.098 119.600 -0.133 0.000 2.228 210 M HA 0.067 4.546 4.480 -0.001 0.000 0.326 210 M C 1.665 178.032 176.300 0.111 0.000 1.122 210 M CA -0.343 54.975 55.300 0.030 0.000 1.161 210 M CB -0.264 32.349 32.600 0.022 0.000 1.437 210 M HN 0.495 nan 8.290 nan 0.000 0.465 211 Y N 2.304 122.648 120.300 0.074 0.000 2.102 211 Y HA -0.299 4.250 4.550 -0.001 0.000 0.280 211 Y C 1.585 177.547 175.900 0.103 0.000 1.178 211 Y CA 2.342 60.500 58.100 0.097 0.000 1.146 211 Y CB -0.113 38.408 38.460 0.102 0.000 0.968 211 Y HN 0.682 nan 8.280 nan 0.000 0.504 212 D N -0.522 119.827 120.400 -0.085 0.000 2.218 212 D HA -0.193 4.447 4.640 -0.001 0.000 0.204 212 D C 1.841 178.077 176.300 -0.106 0.000 0.976 212 D CA 1.469 55.377 54.000 -0.152 0.000 0.853 212 D CB -0.373 40.499 40.800 0.119 0.000 0.939 212 D HN 0.449 nan 8.370 nan 0.000 0.481 213 F N 1.558 121.394 119.950 -0.189 0.000 2.219 213 F HA -0.069 4.457 4.527 -0.001 0.000 0.294 213 F C 2.324 177.992 175.800 -0.219 0.000 1.086 213 F CA 1.013 58.909 58.000 -0.173 0.000 1.330 213 F CB -0.364 38.549 39.000 -0.144 0.000 1.047 213 F HN -0.212 nan 8.300 nan 0.000 0.495 214 T N -1.223 113.197 114.554 -0.223 0.000 2.701 214 T HA -0.197 4.152 4.350 -0.001 0.000 0.263 214 T C 1.694 176.183 174.700 -0.351 0.000 1.040 214 T CA 1.901 63.837 62.100 -0.274 0.000 1.147 214 T CB -0.690 68.145 68.868 -0.055 0.000 0.865 214 T HN 0.370 nan 8.240 nan 0.000 0.426 215 H N 0.511 119.299 119.070 -0.471 0.000 2.319 215 H HA -0.146 4.409 4.556 -0.001 0.000 0.297 215 H C 2.585 177.614 175.328 -0.497 0.000 1.097 215 H CA 2.177 57.951 56.048 -0.457 0.000 1.285 215 H CB -0.487 28.907 29.762 -0.614 0.000 1.368 215 H HN 0.608 nan 8.280 nan 0.000 0.495 216 C N -0.561 118.360 119.300 -0.631 0.000 2.440 216 C HA 0.003 4.462 4.460 -0.001 0.000 0.278 216 C C 2.656 177.195 174.990 -0.751 0.000 1.295 216 C CA 0.417 58.806 59.018 -1.048 0.000 1.738 216 C CB -1.146 25.655 27.740 -1.565 0.000 1.987 216 C HN 0.549 nan 8.230 nan 0.000 0.492 217 I N 2.058 122.216 120.570 -0.687 0.000 2.252 217 I HA -0.147 4.023 4.170 -0.001 0.000 0.245 217 I C 2.817 178.574 176.117 -0.601 0.000 1.102 217 I CA 1.741 62.656 61.300 -0.642 0.000 1.385 217 I CB -0.546 37.037 38.000 -0.695 0.000 1.064 217 I HN 0.332 nan 8.210 nan 0.000 0.414 218 S N 0.482 115.818 115.700 -0.608 0.000 2.368 218 S HA -0.196 4.273 4.470 -0.001 0.000 0.225 218 S C 1.597 175.847 174.600 -0.583 0.000 1.030 218 S CA 1.415 59.182 58.200 -0.721 0.000 0.999 218 S CB -0.313 62.623 63.200 -0.440 0.000 0.844 218 S HN 0.415 nan 8.310 nan 0.000 0.459 219 D N 1.601 121.703 120.400 -0.495 0.000 2.117 219 D HA -0.011 4.628 4.640 -0.001 0.000 0.197 219 D C 2.149 178.252 176.300 -0.329 0.000 0.987 219 D CA 1.289 55.072 54.000 -0.361 0.000 0.829 219 D CB -0.462 40.198 40.800 -0.233 0.000 0.961 219 D HN 0.370 nan 8.370 nan 0.000 0.460 220 A N 0.455 123.058 122.820 -0.363 0.000 1.873 220 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 220 A C 2.400 179.821 177.584 -0.272 0.000 1.186 220 A CA 0.907 52.764 52.037 -0.299 0.000 0.616 220 A CB -0.784 18.012 19.000 -0.340 0.000 0.823 220 A HN 0.224 nan 8.150 nan 0.000 0.442 221 L N -0.720 120.298 121.223 -0.341 0.000 2.083 221 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 221 L C 2.358 179.089 176.870 -0.232 0.000 1.083 221 L CA 1.497 56.164 54.840 -0.287 0.000 0.752 221 L CB -0.528 41.273 42.059 -0.429 0.000 0.899 221 L HN 0.463 nan 8.230 nan 0.000 0.433 222 E N -0.175 119.852 120.200 -0.287 0.000 2.427 222 E HA -0.003 4.346 4.350 -0.001 0.000 0.196 222 E C 1.201 177.613 176.600 -0.314 0.000 1.028 222 E CA 0.479 56.739 56.400 -0.233 0.000 0.864 222 E CB 0.118 29.675 29.700 -0.238 0.000 0.813 222 E HN 0.550 nan 8.360 nan 0.000 0.514 223 G N 1.742 110.372 108.800 -0.283 0.000 2.171 223 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.238 223 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.238 223 G C 0.116 174.798 174.900 -0.365 0.000 1.039 223 G CA -0.318 44.630 45.100 -0.253 0.000 0.759 223 G HN 0.100 nan 8.290 nan 0.000 0.501 224 I N 1.579 121.928 120.570 -0.368 0.000 2.588 224 I HA 0.188 4.357 4.170 -0.001 0.000 0.283 224 I C 2.003 178.021 176.117 -0.165 0.000 1.119 224 I CA 1.023 62.151 61.300 -0.286 0.000 1.419 224 I CB 0.700 38.580 38.000 -0.201 0.000 1.394 224 I HN 0.380 nan 8.210 nan 0.000 0.562 225 T N 2.980 117.437 114.554 -0.162 0.000 2.983 225 T HA 0.091 4.441 4.350 -0.001 0.000 0.250 225 T C 0.643 175.041 174.700 -0.505 0.000 1.037 225 T CA 0.507 62.375 62.100 -0.388 0.000 1.142 225 T CB 0.078 68.536 68.868 -0.683 0.000 0.876 225 T HN 0.536 nan 8.240 nan 0.000 0.455 226 H N 1.257 120.279 119.070 -0.079 0.000 2.860 226 H HA 0.544 5.099 4.556 -0.001 0.000 0.312 226 H C -1.022 174.328 175.328 0.036 0.000 0.995 226 H CA -0.585 55.483 56.048 0.033 0.000 1.311 226 H CB 1.550 31.300 29.762 -0.020 0.000 1.478 226 H HN 0.225 nan 8.280 nan 0.000 0.508 227 S N 5.231 121.001 115.700 0.116 0.000 2.400 227 S HA 0.284 4.753 4.470 -0.001 0.000 0.295 227 S C 0.050 174.715 174.600 0.110 0.000 1.113 227 S CA -0.774 57.477 58.200 0.086 0.000 1.064 227 S CB -0.489 62.743 63.200 0.054 0.000 0.990 227 S HN 0.420 nan 8.310 nan 0.000 0.502 228 L N 6.120 127.434 121.223 0.151 0.000 2.275 228 L HA 0.615 4.954 4.340 -0.001 0.000 0.288 228 L C 0.339 177.361 176.870 0.253 0.000 1.046 228 L CA -0.848 54.130 54.840 0.229 0.000 0.805 228 L CB 0.667 42.850 42.059 0.208 0.000 1.193 228 L HN 0.820 nan 8.230 nan 0.000 0.426 229 C N -0.192 119.227 119.300 0.199 0.000 3.318 229 C HA 0.840 5.299 4.460 -0.001 0.000 0.329 229 C C 0.586 175.406 174.990 -0.284 0.000 1.449 229 C CA -0.669 58.346 59.018 -0.005 0.000 1.397 229 C CB 1.481 29.129 27.740 -0.154 0.000 1.810 229 C HN 0.828 nan 8.230 nan 0.000 0.449 230 T N -0.274 114.093 114.554 -0.310 0.000 2.847 230 T HA 0.414 4.763 4.350 -0.001 0.000 0.279 230 T C 0.877 175.517 174.700 -0.101 0.000 0.984 230 T CA -0.498 61.332 62.100 -0.450 0.000 0.988 230 T CB 0.403 69.058 68.868 -0.354 0.000 1.040 230 T HN 0.603 nan 8.240 nan 0.000 0.528 231 L N 0.873 122.016 121.223 -0.134 0.000 2.263 231 L HA -0.049 4.290 4.340 -0.001 0.000 0.216 231 L C 2.329 179.155 176.870 -0.075 0.000 1.111 231 L CA 1.614 56.419 54.840 -0.059 0.000 0.773 231 L CB -1.568 40.456 42.059 -0.059 0.000 0.906 231 L HN 0.769 nan 8.230 nan 0.000 0.439 232 E N -2.135 117.964 120.200 -0.169 0.000 2.478 232 E HA -0.114 4.235 4.350 -0.001 0.000 0.198 232 E C 1.232 177.568 176.600 -0.439 0.000 1.046 232 E CA 0.599 56.800 56.400 -0.331 0.000 0.870 232 E CB -0.297 29.099 29.700 -0.506 0.000 0.818 232 E HN 0.376 nan 8.360 nan 0.000 0.527 233 F N 0.930 120.835 119.950 -0.075 0.000 2.641 233 F HA 0.220 4.746 4.527 -0.001 0.000 0.302 233 F C 1.731 177.514 175.800 -0.027 0.000 1.098 233 F CA -0.155 57.819 58.000 -0.044 0.000 1.318 233 F CB 0.148 39.119 39.000 -0.050 0.000 1.035 233 F HN -0.051 nan 8.300 nan 0.000 0.551 234 Q N 0.437 120.286 119.800 0.082 0.000 2.050 234 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 234 Q C 1.486 177.525 176.000 0.064 0.000 0.980 234 Q CA 1.686 57.527 55.803 0.063 0.000 0.840 234 Q CB -0.123 28.646 28.738 0.051 0.000 0.898 234 Q HN 0.409 nan 8.270 nan 0.000 0.424 235 D N 0.403 120.853 120.400 0.082 0.000 2.144 235 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 235 D C 1.410 177.725 176.300 0.024 0.000 0.984 235 D CA 0.803 54.876 54.000 0.121 0.000 0.834 235 D CB -0.275 40.628 40.800 0.171 0.000 0.955 235 D HN 0.322 nan 8.370 nan 0.000 0.465 236 N N 1.077 119.829 118.700 0.087 0.000 2.381 236 N HA -0.134 4.605 4.740 -0.001 0.000 0.182 236 N C 1.899 177.474 175.510 0.108 0.000 1.025 236 N CA 0.166 53.301 53.050 0.143 0.000 0.888 236 N CB -0.021 38.668 38.487 0.337 0.000 0.965 236 N HN 0.207 nan 8.380 nan 0.000 0.438 237 R N 1.496 122.016 120.500 0.034 0.000 2.159 237 R HA -0.097 4.242 4.340 -0.001 0.000 0.237 237 R C 1.766 178.060 176.300 -0.011 0.000 1.131 237 R CA 1.196 57.275 56.100 -0.036 0.000 0.982 237 R CB 0.111 30.343 30.300 -0.114 0.000 0.868 237 R HN 0.002 nan 8.270 nan 0.000 0.453 238 R N 0.174 120.601 120.500 -0.120 0.000 2.092 238 R HA -0.094 4.245 4.340 -0.001 0.000 0.231 238 R C 2.009 178.305 176.300 -0.007 0.000 1.119 238 R CA 0.937 56.929 56.100 -0.180 0.000 0.970 238 R CB -0.642 29.310 30.300 -0.581 0.000 0.864 238 R HN 0.201 nan 8.270 nan 0.000 0.440 239 L N -0.726 120.512 121.223 0.025 0.000 2.179 239 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 239 L C 1.816 178.800 176.870 0.189 0.000 1.096 239 L CA 1.522 56.424 54.840 0.104 0.000 0.779 239 L CB -0.709 41.383 42.059 0.055 0.000 0.922 239 L HN 0.187 nan 8.230 nan 0.000 0.443 240 Y N 0.553 120.862 120.300 0.015 0.000 2.128 240 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 240 Y C 2.193 178.064 175.900 -0.049 0.000 1.154 240 Y CA 2.227 60.303 58.100 -0.040 0.000 1.149 240 Y CB -0.248 38.179 38.460 -0.054 0.000 0.976 240 Y HN 0.300 nan 8.280 nan 0.000 0.505 241 D N -1.146 119.443 120.400 0.314 0.000 2.183 241 D HA -0.191 4.449 4.640 -0.001 0.000 0.203 241 D C 1.794 178.201 176.300 0.178 0.000 0.969 241 D CA 1.163 55.322 54.000 0.265 0.000 0.842 241 D CB -0.841 40.117 40.800 0.263 0.000 0.957 241 D HN 0.572 nan 8.370 nan 0.000 0.484 242 W N 1.592 122.898 121.300 0.010 0.000 2.354 242 W HA -0.228 4.431 4.660 -0.001 0.000 0.315 242 W C 2.102 178.595 176.519 -0.042 0.000 1.206 242 W CA 1.353 58.693 57.345 -0.009 0.000 1.290 242 W CB -0.375 29.078 29.460 -0.010 0.000 1.152 242 W HN -0.247 nan 8.180 nan 0.000 0.489 243 V N 1.395 121.413 119.914 0.174 0.000 2.255 243 V HA -0.370 3.749 4.120 -0.001 0.000 0.247 243 V C 2.351 178.256 176.094 -0.316 0.000 1.051 243 V CA 2.224 64.496 62.300 -0.045 0.000 1.018 243 V CB -1.255 30.580 31.823 0.020 0.000 0.641 243 V HN 0.273 nan 8.190 nan 0.000 0.445 244 L N -0.248 120.764 121.223 -0.352 0.000 2.046 244 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 244 L C 2.305 179.002 176.870 -0.289 0.000 1.077 244 L CA 1.563 56.149 54.840 -0.423 0.000 0.747 244 L CB -0.829 40.846 42.059 -0.638 0.000 0.896 244 L HN 0.337 nan 8.230 nan 0.000 0.432 245 D N -0.076 120.205 120.400 -0.200 0.000 2.309 245 D HA -0.124 4.515 4.640 -0.001 0.000 0.212 245 D C 1.428 177.562 176.300 -0.277 0.000 0.968 245 D CA 0.868 54.778 54.000 -0.150 0.000 0.882 245 D CB -0.137 40.608 40.800 -0.091 0.000 0.918 245 D HN 0.347 nan 8.370 nan 0.000 0.503 246 N N 0.193 118.632 118.700 -0.435 0.000 2.205 246 N HA 0.123 4.863 4.740 -0.001 0.000 0.201 246 N C 0.612 175.938 175.510 -0.306 0.000 1.128 246 N CA 0.011 52.774 53.050 -0.477 0.000 0.867 246 N CB 1.517 39.448 38.487 -0.926 0.000 0.996 246 N HN 0.368 nan 8.380 nan 0.000 0.503 247 I N -2.833 117.583 120.570 -0.257 0.000 3.206 247 I HA 0.449 4.618 4.170 -0.001 0.000 0.313 247 I C -0.427 175.638 176.117 -0.087 0.000 1.103 247 I CA -0.743 60.467 61.300 -0.150 0.000 0.985 247 I CB 1.752 39.562 38.000 -0.317 0.000 1.240 247 I HN -0.369 nan 8.210 nan 0.000 0.464 248 T N 4.297 118.901 114.554 0.083 0.000 2.997 248 T HA 0.532 4.882 4.350 -0.001 0.000 0.311 248 T C -0.401 174.367 174.700 0.114 0.000 1.079 248 T CA 0.170 62.319 62.100 0.083 0.000 0.982 248 T CB -0.697 68.227 68.868 0.093 0.000 1.032 248 T HN 0.427 nan 8.240 nan 0.000 0.581 249 I N 4.726 125.283 120.570 -0.021 0.000 2.656 249 I HA 0.372 4.541 4.170 -0.001 0.000 0.292 249 I C -1.582 174.501 176.117 -0.056 0.000 1.144 249 I CA -2.369 58.901 61.300 -0.050 0.000 1.038 249 I CB 2.985 40.853 38.000 -0.219 0.000 1.244 249 I HN 0.252 nan 8.210 nan 0.000 0.420 250 P HA 0.040 nan 4.420 nan 0.000 0.236 250 P C -0.093 177.192 177.300 -0.025 0.000 1.177 250 P CA 0.618 63.703 63.100 -0.026 0.000 0.773 250 P CB 0.165 31.855 31.700 -0.015 0.000 0.878 251 V N -2.700 117.188 119.914 -0.044 0.000 3.113 251 V HA 0.609 4.728 4.120 -0.001 0.000 0.316 251 V C -1.033 175.062 176.094 0.002 0.000 1.125 251 V CA -1.165 61.126 62.300 -0.016 0.000 1.026 251 V CB 2.048 33.852 31.823 -0.031 0.000 1.080 251 V HN 0.066 nan 8.190 nan 0.000 0.444 252 H N 1.078 120.114 119.070 -0.057 0.000 3.021 252 H HA 0.580 5.135 4.556 -0.001 0.000 0.293 252 H C -2.922 172.405 175.328 -0.002 0.000 1.244 252 H CA -1.433 54.588 56.048 -0.044 0.000 1.596 252 H CB 1.617 31.354 29.762 -0.042 0.000 1.720 252 H HN 0.668 nan 8.280 nan 0.000 0.537 253 P HA 0.108 nan 4.420 nan 0.000 0.269 253 P C -0.594 176.816 177.300 0.183 0.000 1.215 253 P CA -0.363 62.806 63.100 0.115 0.000 0.780 253 P CB 0.695 32.433 31.700 0.063 0.000 0.898 254 R N 1.989 122.494 120.500 0.008 0.000 2.445 254 R HA 0.329 4.668 4.340 -0.001 0.000 0.308 254 R C -0.115 175.934 176.300 -0.419 0.000 0.961 254 R CA -0.654 55.341 56.100 -0.175 0.000 0.862 254 R CB 1.374 31.601 30.300 -0.121 0.000 1.144 254 R HN 0.559 nan 8.270 nan 0.000 0.447 255 Q N 2.367 121.770 119.800 -0.662 0.000 2.235 255 Q HA 0.338 4.677 4.340 -0.001 0.000 0.250 255 Q C -1.309 174.240 176.000 -0.752 0.000 0.909 255 Q CA -0.352 55.088 55.803 -0.604 0.000 0.910 255 Q CB 0.891 29.215 28.738 -0.690 0.000 1.223 255 Q HN 0.459 nan 8.270 nan 0.000 0.432 256 Y N 1.430 121.734 120.300 0.006 0.000 2.421 256 Y HA 0.302 4.851 4.550 -0.001 0.000 0.339 256 Y C -1.013 174.983 175.900 0.160 0.000 0.996 256 Y CA -0.994 57.165 58.100 0.098 0.000 1.046 256 Y CB 2.033 40.535 38.460 0.069 0.000 1.226 256 Y HN 0.599 nan 8.280 nan 0.000 0.445 257 E N 3.578 123.988 120.200 0.350 0.000 2.179 257 E HA 0.596 4.946 4.350 -0.001 0.000 0.275 257 E C -1.151 175.721 176.600 0.455 0.000 0.945 257 E CA -0.701 55.859 56.400 0.267 0.000 0.792 257 E CB 1.504 31.281 29.700 0.127 0.000 1.125 257 E HN 0.390 nan 8.360 nan 0.000 0.397 258 F N -1.017 119.104 119.950 0.285 0.000 2.598 258 F HA 0.708 5.234 4.527 -0.001 0.000 0.327 258 F C -0.009 175.892 175.800 0.169 0.000 1.057 258 F CA -1.515 56.674 58.000 0.316 0.000 0.957 258 F CB 0.897 40.059 39.000 0.271 0.000 1.278 258 F HN 0.295 nan 8.300 nan 0.000 0.484 259 S N 1.157 116.994 115.700 0.229 0.000 2.565 259 S HA 0.439 4.908 4.470 -0.001 0.000 0.276 259 S C -0.134 174.524 174.600 0.098 0.000 1.326 259 S CA -1.047 57.196 58.200 0.073 0.000 1.045 259 S CB 0.651 63.899 63.200 0.080 0.000 0.918 259 S HN 0.970 nan 8.310 nan 0.000 0.505 260 R N 1.324 121.818 120.500 -0.011 0.000 2.560 260 R HA 0.536 4.875 4.340 -0.001 0.000 0.270 260 R C -0.305 176.042 176.300 0.078 0.000 1.074 260 R CA -0.981 55.143 56.100 0.040 0.000 1.140 260 R CB 0.153 30.441 30.300 -0.022 0.000 1.073 260 R HN 0.584 nan 8.270 nan 0.000 0.527 261 L N 1.746 123.034 121.223 0.110 0.000 2.380 261 L HA 0.281 4.620 4.340 -0.001 0.000 0.273 261 L C -1.063 175.838 176.870 0.053 0.000 1.138 261 L CA 0.150 55.048 54.840 0.096 0.000 0.832 261 L CB 0.703 42.847 42.059 0.142 0.000 1.124 261 L HN 0.627 nan 8.230 nan 0.000 0.454 262 N N 5.724 124.451 118.700 0.046 0.000 2.296 262 N HA 0.442 5.181 4.740 -0.001 0.000 0.294 262 N C -1.504 174.034 175.510 0.047 0.000 1.033 262 N CA -0.403 52.653 53.050 0.010 0.000 0.839 262 N CB 2.434 40.911 38.487 -0.018 0.000 1.395 262 N HN 0.615 nan 8.380 nan 0.000 0.479 263 L N 1.055 122.300 121.223 0.037 0.000 2.322 263 L HA 0.339 4.678 4.340 -0.001 0.000 0.281 263 L C 0.579 177.474 176.870 0.043 0.000 1.014 263 L CA -0.650 54.235 54.840 0.074 0.000 0.815 263 L CB 1.813 43.919 42.059 0.079 0.000 1.247 263 L HN 0.462 nan 8.230 nan 0.000 0.421 264 E N 3.043 123.279 120.200 0.061 0.000 2.414 264 E HA -0.074 4.275 4.350 -0.001 0.000 0.263 264 E C -0.772 175.910 176.600 0.136 0.000 1.000 264 E CA 0.300 56.708 56.400 0.013 0.000 0.914 264 E CB 0.288 30.023 29.700 0.060 0.000 0.948 264 E HN 0.513 nan 8.360 nan 0.000 0.444 265 Y N -0.118 120.216 120.300 0.057 0.000 4.490 265 Y HA -0.274 4.275 4.550 -0.001 0.000 0.233 265 Y C 0.075 176.108 175.900 0.221 0.000 1.101 265 Y CA 1.241 59.417 58.100 0.126 0.000 2.010 265 Y CB -1.733 36.802 38.460 0.125 0.000 1.622 265 Y HN 0.500 nan 8.280 nan 0.000 0.675 266 T N -0.933 113.732 114.554 0.184 0.000 2.840 266 T HA 0.671 5.020 4.350 -0.001 0.000 0.317 266 T C -0.914 173.757 174.700 -0.049 0.000 1.401 266 T CA -0.254 61.968 62.100 0.203 0.000 1.028 266 T CB 1.090 70.085 68.868 0.211 0.000 1.317 266 T HN 0.594 nan 8.240 nan 0.000 0.495 267 V N 1.994 121.872 119.914 -0.059 0.000 2.716 267 V HA 0.856 4.975 4.120 -0.001 0.000 0.304 267 V C 0.106 176.119 176.094 -0.135 0.000 1.053 267 V CA -0.712 61.468 62.300 -0.200 0.000 0.984 267 V CB 1.460 33.090 31.823 -0.322 0.000 1.021 267 V HN 0.930 nan 8.190 nan 0.000 0.467 268 M N 3.750 123.226 119.600 -0.207 0.000 3.017 268 M HA 0.395 4.874 4.480 -0.001 0.000 0.423 268 M C -0.050 176.061 176.300 -0.316 0.000 1.395 268 M CA 0.172 55.276 55.300 -0.328 0.000 0.816 268 M CB 0.332 32.724 32.600 -0.346 0.000 1.440 268 M HN 1.005 nan 8.290 nan 0.000 0.506 269 S N -1.471 114.136 115.700 -0.156 0.000 2.473 269 S HA 0.481 4.951 4.470 -0.001 0.000 0.307 269 S C 0.773 175.416 174.600 0.072 0.000 1.094 269 S CA -0.894 57.279 58.200 -0.046 0.000 1.070 269 S CB 1.649 64.787 63.200 -0.102 0.000 1.019 269 S HN 0.327 nan 8.310 nan 0.000 0.480 270 K N 1.647 122.169 120.400 0.203 0.000 2.113 270 K HA -0.164 4.156 4.320 -0.001 0.000 0.208 270 K C 2.108 178.844 176.600 0.227 0.000 1.047 270 K CA 1.057 57.529 56.287 0.309 0.000 0.928 270 K CB -0.219 32.447 32.500 0.276 0.000 0.716 270 K HN 0.624 nan 8.250 nan 0.000 0.446 271 R N 1.940 122.510 120.500 0.117 0.000 2.092 271 R HA -0.102 4.237 4.340 -0.001 0.000 0.231 271 R C 1.785 178.121 176.300 0.061 0.000 1.119 271 R CA 1.477 57.629 56.100 0.085 0.000 0.970 271 R CB 0.055 30.379 30.300 0.040 0.000 0.864 271 R HN 0.171 nan 8.270 nan 0.000 0.440 272 K N 0.151 120.538 120.400 -0.021 0.000 2.076 272 K HA -0.012 4.307 4.320 -0.001 0.000 0.204 272 K C 2.260 178.913 176.600 0.088 0.000 1.051 272 K CA 0.974 57.217 56.287 -0.073 0.000 0.949 272 K CB -0.094 32.108 32.500 -0.497 0.000 0.726 272 K HN 0.149 nan 8.250 nan 0.000 0.443 273 L N 1.303 122.540 121.223 0.023 0.000 2.083 273 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 273 L C 2.213 178.849 176.870 -0.390 0.000 1.083 273 L CA 0.875 55.663 54.840 -0.086 0.000 0.752 273 L CB -0.486 41.586 42.059 0.022 0.000 0.899 273 L HN 0.208 nan 8.230 nan 0.000 0.433 274 N N 0.341 118.909 118.700 -0.220 0.000 2.244 274 N HA -0.182 4.557 4.740 -0.001 0.000 0.183 274 N C 1.671 177.114 175.510 -0.111 0.000 1.016 274 N CA 0.939 53.867 53.050 -0.203 0.000 0.866 274 N CB -0.042 38.571 38.487 0.209 0.000 0.980 274 N HN 0.131 nan 8.380 nan 0.000 0.430 275 L N 0.331 121.567 121.223 0.021 0.000 2.109 275 L HA 0.106 4.445 4.340 -0.001 0.000 0.207 275 L C 1.887 178.785 176.870 0.047 0.000 1.086 275 L CA 1.219 56.114 54.840 0.092 0.000 0.760 275 L CB -0.553 41.657 42.059 0.251 0.000 0.910 275 L HN 0.197 nan 8.230 nan 0.000 0.437 276 L N -1.983 119.271 121.223 0.051 0.000 2.046 276 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 276 L C 2.370 179.157 176.870 -0.138 0.000 1.077 276 L CA 0.895 55.749 54.840 0.022 0.000 0.747 276 L CB -0.620 41.466 42.059 0.045 0.000 0.896 276 L HN 0.083 nan 8.230 nan 0.000 0.432 277 V N -0.821 118.921 119.914 -0.286 0.000 2.270 277 V HA -0.269 3.851 4.120 -0.001 0.000 0.245 277 V C 2.533 178.503 176.094 -0.206 0.000 1.043 277 V CA 2.378 64.465 62.300 -0.354 0.000 1.014 277 V CB -0.756 30.640 31.823 -0.713 0.000 0.645 277 V HN 0.446 nan 8.190 nan 0.000 0.447 278 T N -0.396 114.072 114.554 -0.144 0.000 2.746 278 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 278 T C 1.472 176.100 174.700 -0.119 0.000 1.039 278 T CA 1.670 63.725 62.100 -0.075 0.000 1.142 278 T CB -0.364 68.498 68.868 -0.010 0.000 0.866 278 T HN 0.400 nan 8.240 nan 0.000 0.444 279 D N 0.784 121.078 120.400 -0.177 0.000 2.363 279 D HA 0.037 4.676 4.640 -0.001 0.000 0.226 279 D C 0.443 176.408 176.300 -0.558 0.000 1.020 279 D CA 0.293 54.097 54.000 -0.327 0.000 0.892 279 D CB 0.020 40.631 40.800 -0.315 0.000 0.900 279 D HN 0.138 nan 8.370 nan 0.000 0.531 280 K N -0.440 119.741 120.400 -0.365 0.000 3.125 280 K HA -0.216 4.104 4.320 -0.001 0.000 0.268 280 K C -0.058 176.355 176.600 -0.312 0.000 1.078 280 K CA 0.393 56.510 56.287 -0.283 0.000 0.775 280 K CB -2.832 29.550 32.500 -0.197 0.000 1.253 280 K HN 0.554 nan 8.250 nan 0.000 0.486 281 H N -1.637 117.382 119.070 -0.084 0.000 2.551 281 H HA 0.191 4.747 4.556 -0.001 0.000 0.271 281 H C 0.852 176.125 175.328 -0.091 0.000 0.984 281 H CA 0.321 56.315 56.048 -0.091 0.000 1.164 281 H CB 0.721 30.414 29.762 -0.115 0.000 1.437 281 H HN 0.260 nan 8.280 nan 0.000 0.550 282 V N -3.292 116.611 119.914 -0.018 0.000 3.114 282 V HA 0.204 4.323 4.120 -0.001 0.000 0.308 282 V C 0.584 176.649 176.094 -0.048 0.000 1.168 282 V CA -1.044 61.236 62.300 -0.033 0.000 1.015 282 V CB 2.539 34.322 31.823 -0.067 0.000 1.050 282 V HN 0.047 nan 8.190 nan 0.000 0.433 283 E N 1.619 121.808 120.200 -0.017 0.000 2.085 283 E HA 0.252 4.602 4.350 -0.001 0.000 0.194 283 E C 0.908 177.481 176.600 -0.045 0.000 0.994 283 E CA 1.707 58.102 56.400 -0.008 0.000 0.801 283 E CB 0.050 29.773 29.700 0.039 0.000 0.743 283 E HN 1.125 nan 8.360 nan 0.000 0.453 284 G N -1.648 107.105 108.800 -0.079 0.000 2.340 284 G HA2 0.091 4.051 3.960 -0.001 0.000 0.299 284 G HA3 0.091 4.051 3.960 -0.001 0.000 0.299 284 G C -1.041 173.769 174.900 -0.150 0.000 1.291 284 G CA -0.664 44.368 45.100 -0.114 0.000 0.841 284 G HN 0.112 nan 8.290 nan 0.000 0.500 285 W N 0.694 121.834 121.300 -0.266 0.000 2.331 285 W HA 0.007 4.666 4.660 -0.002 0.000 0.291 285 W C 2.175 178.571 176.519 -0.206 0.000 1.214 285 W CA 1.680 58.823 57.345 -0.336 0.000 1.228 285 W CB 0.204 29.123 29.460 -0.902 0.000 1.135 285 W HN 0.613 nan 8.180 nan 0.000 0.537 286 D N -0.680 119.737 120.400 0.029 0.000 2.395 286 D HA -0.062 4.577 4.640 -0.001 0.000 0.226 286 D C 0.008 176.284 176.300 -0.041 0.000 1.146 286 D CA 0.077 54.083 54.000 0.010 0.000 0.830 286 D CB -0.678 40.129 40.800 0.012 0.000 0.958 286 D HN 0.101 nan 8.370 nan 0.000 0.501 287 D N 1.684 122.055 120.400 -0.048 0.000 2.455 287 D HA -0.011 4.628 4.640 -0.001 0.000 0.241 287 D C -1.496 174.729 176.300 -0.125 0.000 1.138 287 D CA -1.420 52.542 54.000 -0.063 0.000 0.877 287 D CB 2.009 42.780 40.800 -0.048 0.000 1.187 287 D HN -0.083 nan 8.370 nan 0.000 0.451 288 P HA -0.092 nan 4.420 nan 0.000 0.226 288 P C 0.596 177.642 177.300 -0.423 0.000 1.146 288 P CA 1.082 63.919 63.100 -0.438 0.000 0.773 288 P CB 0.181 31.339 31.700 -0.903 0.000 0.772 289 R N -2.564 117.776 120.500 -0.267 0.000 2.312 289 R HA 0.223 4.562 4.340 -0.001 0.000 0.205 289 R C 0.668 176.919 176.300 -0.081 0.000 0.904 289 R CA 0.000 56.015 56.100 -0.142 0.000 1.052 289 R CB -0.126 30.147 30.300 -0.045 0.000 1.014 289 R HN 0.189 nan 8.270 nan 0.000 0.503 290 M N 2.679 122.234 119.600 -0.074 0.000 2.242 290 M HA 0.132 4.611 4.480 -0.001 0.000 0.344 290 M C -1.613 174.685 176.300 -0.004 0.000 1.140 290 M CA -2.390 52.901 55.300 -0.015 0.000 1.160 290 M CB 0.723 33.323 32.600 0.000 0.000 1.491 290 M HN -0.160 nan 8.290 nan 0.000 0.459 291 P HA 0.040 nan 4.420 nan 0.000 0.257 291 P C -0.009 177.366 177.300 0.125 0.000 1.325 291 P CA 0.190 63.314 63.100 0.040 0.000 0.850 291 P CB -0.460 31.269 31.700 0.049 0.000 1.324 292 T N -2.284 112.371 114.554 0.168 0.000 2.828 292 T HA 0.189 4.538 4.350 -0.001 0.000 0.290 292 T C 1.591 176.381 174.700 0.149 0.000 1.019 292 T CA -0.698 61.555 62.100 0.256 0.000 1.031 292 T CB 0.745 69.805 68.868 0.321 0.000 1.001 292 T HN -0.267 nan 8.240 nan 0.000 0.531 293 I N 1.527 122.197 120.570 0.167 0.000 2.226 293 I HA -0.157 4.013 4.170 -0.001 0.000 0.245 293 I C 2.885 178.956 176.117 -0.076 0.000 1.100 293 I CA 1.754 63.112 61.300 0.096 0.000 1.374 293 I CB -1.865 36.231 38.000 0.161 0.000 1.057 293 I HN 0.904 nan 8.210 nan 0.000 0.413 294 S N 0.830 116.517 115.700 -0.021 0.000 2.383 294 S HA -0.069 4.401 4.470 -0.001 0.000 0.227 294 S C 2.187 176.722 174.600 -0.109 0.000 1.026 294 S CA 1.009 59.150 58.200 -0.099 0.000 0.981 294 S CB -1.195 62.049 63.200 0.074 0.000 0.818 294 S HN 0.435 nan 8.310 nan 0.000 0.472 295 G N 1.819 110.597 108.800 -0.037 0.000 2.402 295 G HA2 0.034 3.993 3.960 -0.001 0.000 0.216 295 G HA3 0.034 3.993 3.960 -0.001 0.000 0.216 295 G C 1.443 176.276 174.900 -0.112 0.000 1.162 295 G CA 0.658 45.716 45.100 -0.071 0.000 0.777 295 G HN 0.479 nan 8.290 nan 0.000 0.539 296 L N -0.162 120.995 121.223 -0.110 0.000 2.083 296 L HA -0.016 4.323 4.340 -0.001 0.000 0.209 296 L C 2.923 179.787 176.870 -0.009 0.000 1.083 296 L CA 1.237 56.008 54.840 -0.115 0.000 0.752 296 L CB -0.298 41.650 42.059 -0.184 0.000 0.899 296 L HN 0.211 nan 8.230 nan 0.000 0.433 297 R N 0.457 120.841 120.500 -0.193 0.000 2.073 297 R HA -0.203 4.137 4.340 -0.001 0.000 0.234 297 R C 2.462 178.669 176.300 -0.155 0.000 1.134 297 R CA 1.590 57.493 56.100 -0.328 0.000 0.952 297 R CB -0.201 29.526 30.300 -0.955 0.000 0.850 297 R HN 0.161 nan 8.270 nan 0.000 0.433 298 R N 0.046 120.449 120.500 -0.162 0.000 2.189 298 R HA -0.127 4.212 4.340 -0.001 0.000 0.223 298 R C 2.144 178.393 176.300 -0.084 0.000 1.092 298 R CA 1.331 57.362 56.100 -0.115 0.000 0.989 298 R CB -0.051 30.177 30.300 -0.120 0.000 0.876 298 R HN 0.065 nan 8.270 nan 0.000 0.457 299 R N -0.631 119.827 120.500 -0.071 0.000 2.153 299 R HA 0.013 4.353 4.340 -0.001 0.000 0.218 299 R C 0.878 177.189 176.300 0.018 0.000 1.072 299 R CA 1.588 57.650 56.100 -0.063 0.000 0.990 299 R CB 0.158 30.448 30.300 -0.017 0.000 0.889 299 R HN 0.348 nan 8.270 nan 0.000 0.452 300 G N -2.304 106.531 108.800 0.058 0.000 2.164 300 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.154 300 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.154 300 G C -0.659 174.251 174.900 0.016 0.000 1.014 300 G CA -0.239 44.876 45.100 0.025 0.000 0.683 300 G HN 0.187 nan 8.290 nan 0.000 0.500 301 Y N 2.186 122.505 120.300 0.032 0.000 2.346 301 Y HA 0.481 5.030 4.550 -0.001 0.000 0.330 301 Y C 1.501 177.526 175.900 0.209 0.000 1.178 301 Y CA 0.754 58.902 58.100 0.080 0.000 1.331 301 Y CB 1.083 39.598 38.460 0.090 0.000 1.253 301 Y HN 0.243 nan 8.280 nan 0.000 0.529 302 T N -0.728 113.941 114.554 0.192 0.000 2.845 302 T HA 0.513 4.862 4.350 -0.001 0.000 0.288 302 T C 1.073 175.781 174.700 0.013 0.000 0.980 302 T CA -0.422 61.744 62.100 0.110 0.000 1.071 302 T CB 1.579 70.426 68.868 -0.035 0.000 0.941 302 T HN 0.778 nan 8.240 nan 0.000 0.487 303 A N 2.813 125.393 122.820 -0.400 0.000 1.986 303 A HA 0.085 4.404 4.320 -0.001 0.000 0.220 303 A C 2.557 179.960 177.584 -0.303 0.000 1.171 303 A CA 1.846 53.454 52.037 -0.715 0.000 0.640 303 A CB -1.351 16.849 19.000 -1.333 0.000 0.811 303 A HN 1.263 nan 8.150 nan 0.000 0.451 304 A N 0.227 122.908 122.820 -0.233 0.000 1.930 304 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 304 A C 2.492 180.049 177.584 -0.046 0.000 1.175 304 A CA 2.199 54.151 52.037 -0.142 0.000 0.627 304 A CB -0.891 18.029 19.000 -0.134 0.000 0.815 304 A HN 1.044 nan 8.150 nan 0.000 0.443 305 S N -0.213 115.484 115.700 -0.005 0.000 2.428 305 S HA -0.033 4.436 4.470 -0.001 0.000 0.230 305 S C 1.793 176.487 174.600 0.155 0.000 1.014 305 S CA 1.231 59.469 58.200 0.064 0.000 0.957 305 S CB -0.627 62.604 63.200 0.052 0.000 0.784 305 S HN 0.474 nan 8.310 nan 0.000 0.499 306 I N 1.314 121.979 120.570 0.160 0.000 2.353 306 I HA -0.036 4.133 4.170 -0.001 0.000 0.248 306 I C 2.978 179.225 176.117 0.217 0.000 1.119 306 I CA 0.799 62.229 61.300 0.218 0.000 1.417 306 I CB -0.207 37.918 38.000 0.209 0.000 1.078 306 I HN 0.225 nan 8.210 nan 0.000 0.421 307 R N 0.452 121.022 120.500 0.117 0.000 2.115 307 R HA -0.186 4.153 4.340 -0.001 0.000 0.230 307 R C 2.171 178.531 176.300 0.099 0.000 1.111 307 R CA 1.275 57.438 56.100 0.106 0.000 0.976 307 R CB -0.220 30.104 30.300 0.040 0.000 0.870 307 R HN 0.247 nan 8.270 nan 0.000 0.445 308 E N 0.777 121.038 120.200 0.100 0.000 2.106 308 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 308 E C 1.548 178.235 176.600 0.146 0.000 0.984 308 E CA 1.004 57.460 56.400 0.093 0.000 0.806 308 E CB -0.280 29.467 29.700 0.079 0.000 0.750 308 E HN 0.212 nan 8.360 nan 0.000 0.458 309 F N 0.682 120.660 119.950 0.047 0.000 2.069 309 F HA -0.247 4.279 4.527 -0.002 0.000 0.298 309 F C 2.157 177.983 175.800 0.044 0.000 1.113 309 F CA 1.790 59.822 58.000 0.055 0.000 1.214 309 F CB -0.921 38.124 39.000 0.075 0.000 0.978 309 F HN 0.165 nan 8.300 nan 0.000 0.474 310 C N 0.810 120.084 119.300 -0.044 0.000 2.413 310 C HA -0.181 4.278 4.460 -0.001 0.000 0.277 310 C C 2.764 177.665 174.990 -0.149 0.000 1.265 310 C CA 1.418 60.331 59.018 -0.175 0.000 1.752 310 C CB -1.337 26.392 27.740 -0.019 0.000 1.998 310 C HN 0.547 nan 8.230 nan 0.000 0.489 311 K N 0.649 121.012 120.400 -0.063 0.000 2.002 311 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 311 K C 2.355 178.913 176.600 -0.070 0.000 1.048 311 K CA 1.367 57.625 56.287 -0.048 0.000 0.930 311 K CB -0.167 32.328 32.500 -0.007 0.000 0.714 311 K HN 0.422 nan 8.250 nan 0.000 0.438 312 R N 0.639 121.099 120.500 -0.068 0.000 2.096 312 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 312 R C 2.416 178.648 176.300 -0.113 0.000 1.127 312 R CA 1.800 57.864 56.100 -0.060 0.000 0.968 312 R CB -0.530 29.769 30.300 -0.003 0.000 0.861 312 R HN 0.467 nan 8.270 nan 0.000 0.440 313 I N -2.148 118.276 120.570 -0.244 0.000 2.676 313 I HA 0.156 4.325 4.170 -0.001 0.000 0.259 313 I C 1.023 177.061 176.117 -0.132 0.000 1.194 313 I CA 0.738 61.892 61.300 -0.244 0.000 1.473 313 I CB -0.556 37.163 38.000 -0.468 0.000 1.096 313 I HN 0.178 nan 8.210 nan 0.000 0.443 314 G N 0.793 109.524 108.800 -0.115 0.000 2.796 314 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.571 314 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.571 314 G C -0.757 174.117 174.900 -0.044 0.000 1.370 314 G CA -0.362 44.702 45.100 -0.060 0.000 0.856 314 G HN 0.383 nan 8.290 nan 0.000 0.538 315 V N 1.570 121.488 119.914 0.006 0.000 2.612 315 V HA 0.852 4.971 4.120 -0.001 0.000 0.301 315 V C 0.561 176.799 176.094 0.241 0.000 1.059 315 V CA 0.632 62.967 62.300 0.058 0.000 0.886 315 V CB 1.449 33.204 31.823 -0.114 0.000 1.007 315 V HN 1.966 nan 8.190 nan 0.000 0.426 316 T N 1.572 116.311 114.554 0.309 0.000 2.612 316 T HA 0.523 4.872 4.350 -0.001 0.000 0.296 316 T C -0.071 174.728 174.700 0.165 0.000 1.148 316 T CA -0.651 61.586 62.100 0.228 0.000 1.077 316 T CB 2.165 71.072 68.868 0.066 0.000 1.591 316 T HN 0.342 nan 8.240 nan 0.000 0.479 317 K N 0.082 120.431 120.400 -0.084 0.000 2.438 317 K HA 0.272 4.591 4.320 -0.001 0.000 0.205 317 K C 0.108 176.683 176.600 -0.043 0.000 1.033 317 K CA -0.192 56.051 56.287 -0.074 0.000 1.089 317 K CB 0.723 33.089 32.500 -0.224 0.000 0.857 317 K HN 0.404 nan 8.250 nan 0.000 0.522 318 Q N 1.746 121.534 119.800 -0.021 0.000 2.274 318 Q HA 0.103 4.442 4.340 -0.001 0.000 0.256 318 Q C -0.762 175.238 176.000 0.001 0.000 0.927 318 Q CA -0.252 55.541 55.803 -0.017 0.000 0.939 318 Q CB 1.201 29.929 28.738 -0.016 0.000 1.201 318 Q HN 0.123 nan 8.270 nan 0.000 0.426 319 D N 2.825 123.219 120.400 -0.011 0.000 2.455 319 D HA 0.045 4.684 4.640 -0.001 0.000 0.241 319 D C -0.160 176.137 176.300 -0.004 0.000 1.138 319 D CA 0.651 54.645 54.000 -0.011 0.000 0.877 319 D CB 0.561 41.346 40.800 -0.025 0.000 1.187 319 D HN 0.573 nan 8.370 nan 0.000 0.451 320 N N -1.420 117.282 118.700 0.003 0.000 2.732 320 N HA 0.549 5.289 4.740 -0.001 0.000 0.259 320 N C -1.614 173.901 175.510 0.009 0.000 1.402 320 N CA -0.834 52.221 53.050 0.008 0.000 0.829 320 N CB 1.717 40.216 38.487 0.019 0.000 1.495 320 N HN 0.009 nan 8.380 nan 0.000 0.511 321 T N 0.795 115.358 114.554 0.015 0.000 3.187 321 T HA 0.351 4.700 4.350 -0.001 0.000 0.328 321 T C -0.659 174.069 174.700 0.047 0.000 0.951 321 T CA -0.326 61.785 62.100 0.019 0.000 1.049 321 T CB 0.008 68.869 68.868 -0.011 0.000 1.015 321 T HN 0.432 nan 8.240 nan 0.000 0.461 322 I N 2.800 123.422 120.570 0.087 0.000 2.634 322 I HA 0.143 4.312 4.170 -0.001 0.000 0.284 322 I C 1.026 177.226 176.117 0.138 0.000 1.124 322 I CA 0.080 61.461 61.300 0.135 0.000 1.417 322 I CB 0.481 38.622 38.000 0.235 0.000 1.396 322 I HN 0.530 nan 8.210 nan 0.000 0.571 323 E N 4.973 125.256 120.200 0.139 0.000 2.349 323 E HA 0.134 4.483 4.350 -0.001 0.000 0.265 323 E C 0.638 177.331 176.600 0.155 0.000 1.064 323 E CA -0.656 55.829 56.400 0.140 0.000 0.886 323 E CB 0.718 30.491 29.700 0.123 0.000 1.036 323 E HN 0.484 nan 8.360 nan 0.000 0.413 324 M N 1.087 120.783 119.600 0.159 0.000 2.213 324 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 324 M C 2.015 178.370 176.300 0.090 0.000 1.062 324 M CA 1.263 56.631 55.300 0.114 0.000 1.105 324 M CB -1.182 31.488 32.600 0.116 0.000 1.385 324 M HN 0.724 nan 8.290 nan 0.000 0.417 325 A N -0.677 122.204 122.820 0.102 0.000 1.948 325 A HA -0.196 4.123 4.320 -0.001 0.000 0.220 325 A C 2.493 180.139 177.584 0.103 0.000 1.177 325 A CA 2.323 54.414 52.037 0.090 0.000 0.636 325 A CB -0.920 18.133 19.000 0.087 0.000 0.815 325 A HN 0.493 nan 8.150 nan 0.000 0.449 326 S N -0.859 114.925 115.700 0.139 0.000 2.356 326 S HA -0.103 4.367 4.470 -0.001 0.000 0.223 326 S C 1.935 176.652 174.600 0.194 0.000 1.032 326 S CA 1.386 59.707 58.200 0.201 0.000 1.005 326 S CB -0.411 62.968 63.200 0.298 0.000 0.867 326 S HN 0.533 nan 8.310 nan 0.000 0.449 327 L N 0.973 122.230 121.223 0.056 0.000 2.027 327 L HA -0.106 4.233 4.340 -0.001 0.000 0.206 327 L C 2.489 179.382 176.870 0.039 0.000 1.074 327 L CA 1.837 56.570 54.840 -0.178 0.000 0.745 327 L CB -0.526 41.294 42.059 -0.399 0.000 0.898 327 L HN 0.438 nan 8.230 nan 0.000 0.433 328 E N -0.922 119.320 120.200 0.069 0.000 2.118 328 E HA -0.258 4.092 4.350 -0.001 0.000 0.195 328 E C 2.204 178.829 176.600 0.041 0.000 0.992 328 E CA 1.423 57.869 56.400 0.075 0.000 0.804 328 E CB -0.130 29.610 29.700 0.066 0.000 0.741 328 E HN 0.372 nan 8.360 nan 0.000 0.458 329 S N 0.036 115.773 115.700 0.062 0.000 2.370 329 S HA -0.190 4.280 4.470 -0.001 0.000 0.226 329 S C 2.133 176.756 174.600 0.038 0.000 1.033 329 S CA 1.256 59.489 58.200 0.055 0.000 1.011 329 S CB -0.332 62.916 63.200 0.079 0.000 0.852 329 S HN 0.419 nan 8.310 nan 0.000 0.457 330 C N 0.694 120.037 119.300 0.070 0.000 2.432 330 C HA -0.002 4.457 4.460 -0.001 0.000 0.277 330 C C 2.425 177.403 174.990 -0.019 0.000 1.249 330 C CA 0.680 59.738 59.018 0.066 0.000 1.725 330 C CB -1.402 26.430 27.740 0.153 0.000 2.028 330 C HN 0.692 nan 8.230 nan 0.000 0.477 331 I N 1.002 121.525 120.570 -0.078 0.000 2.394 331 I HA -0.093 4.077 4.170 -0.001 0.000 0.251 331 I C 2.576 178.492 176.117 -0.334 0.000 1.136 331 I CA 1.435 62.566 61.300 -0.283 0.000 1.425 331 I CB -0.575 37.011 38.000 -0.689 0.000 1.079 331 I HN 0.201 nan 8.210 nan 0.000 0.425 332 R N 0.001 120.362 120.500 -0.232 0.000 2.092 332 R HA -0.187 4.152 4.340 -0.001 0.000 0.231 332 R C 2.206 178.396 176.300 -0.183 0.000 1.119 332 R CA 1.531 57.491 56.100 -0.234 0.000 0.970 332 R CB -0.342 29.943 30.300 -0.025 0.000 0.864 332 R HN 0.517 nan 8.270 nan 0.000 0.440 333 E N 0.891 121.030 120.200 -0.101 0.000 2.031 333 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 333 E C 1.726 178.272 176.600 -0.091 0.000 0.994 333 E CA 1.568 57.933 56.400 -0.058 0.000 0.800 333 E CB -0.047 29.640 29.700 -0.021 0.000 0.752 333 E HN 0.144 nan 8.360 nan 0.000 0.447 334 D N 0.060 120.384 120.400 -0.127 0.000 2.088 334 D HA -0.178 4.461 4.640 -0.001 0.000 0.191 334 D C 2.024 178.223 176.300 -0.168 0.000 0.992 334 D CA 1.052 54.974 54.000 -0.130 0.000 0.831 334 D CB -0.122 40.594 40.800 -0.140 0.000 0.973 334 D HN 0.175 nan 8.370 nan 0.000 0.447 335 L N 1.187 122.215 121.223 -0.325 0.000 2.131 335 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 335 L C 2.150 178.877 176.870 -0.238 0.000 1.092 335 L CA 1.187 55.768 54.840 -0.431 0.000 0.759 335 L CB -1.584 39.896 42.059 -0.966 0.000 0.903 335 L HN 0.183 nan 8.230 nan 0.000 0.435 336 N N -0.514 118.082 118.700 -0.173 0.000 2.120 336 N HA -0.212 4.527 4.740 -0.001 0.000 0.188 336 N C 1.859 177.492 175.510 0.204 0.000 1.024 336 N CA 1.373 54.496 53.050 0.121 0.000 0.852 336 N CB 0.049 38.601 38.487 0.109 0.000 1.003 336 N HN 0.260 nan 8.380 nan 0.000 0.424 337 E N -0.345 119.924 120.200 0.115 0.000 2.076 337 E HA 0.000 4.349 4.350 -0.001 0.000 0.190 337 E C 0.799 177.485 176.600 0.144 0.000 0.979 337 E CA 0.746 57.222 56.400 0.126 0.000 0.807 337 E CB -0.044 29.669 29.700 0.021 0.000 0.761 337 E HN 0.522 nan 8.360 nan 0.000 0.454 338 N N -0.084 118.666 118.700 0.083 0.000 2.322 338 N HA 0.066 4.805 4.740 -0.001 0.000 0.181 338 N C 0.210 175.776 175.510 0.092 0.000 1.088 338 N CA 0.149 53.237 53.050 0.063 0.000 0.885 338 N CB 0.562 39.041 38.487 -0.014 0.000 1.013 338 N HN -0.067 nan 8.380 nan 0.000 0.472 339 A N 3.406 126.288 122.820 0.102 0.000 2.409 339 A HA 0.330 4.649 4.320 -0.001 0.000 0.267 339 A C -2.207 175.472 177.584 0.158 0.000 1.127 339 A CA -0.971 51.128 52.037 0.103 0.000 0.795 339 A CB 0.081 19.188 19.000 0.177 0.000 1.061 339 A HN -0.024 nan 8.150 nan 0.000 0.502 340 P HA 0.342 nan 4.420 nan 0.000 0.280 340 P C -0.580 176.880 177.300 0.266 0.000 1.244 340 P CA -0.395 62.829 63.100 0.206 0.000 0.784 340 P CB 0.997 32.831 31.700 0.223 0.000 0.913 341 R N 1.579 122.168 120.500 0.149 0.000 2.637 341 R HA 0.708 5.048 4.340 -0.001 0.000 0.269 341 R C 0.418 176.779 176.300 0.103 0.000 1.089 341 R CA 0.061 56.228 56.100 0.111 0.000 1.177 341 R CB 0.162 30.458 30.300 -0.008 0.000 1.091 341 R HN 0.648 nan 8.270 nan 0.000 0.540 342 A N 0.845 123.680 122.820 0.025 0.000 2.493 342 A HA 0.690 5.009 4.320 -0.001 0.000 0.300 342 A C -1.626 175.771 177.584 -0.311 0.000 1.152 342 A CA -0.797 51.152 52.037 -0.146 0.000 0.643 342 A CB 1.288 20.163 19.000 -0.209 0.000 1.316 342 A HN 0.427 nan 8.150 nan 0.000 0.469 343 M N 0.086 119.397 119.600 -0.481 0.000 2.321 343 M HA 0.733 5.212 4.480 -0.001 0.000 0.315 343 M C -0.346 175.501 176.300 -0.754 0.000 1.052 343 M CA -0.386 54.584 55.300 -0.549 0.000 0.936 343 M CB 0.989 33.279 32.600 -0.517 0.000 1.639 343 M HN 1.386 nan 8.290 nan 0.000 0.433 344 A N 2.609 124.958 122.820 -0.786 0.000 2.547 344 A HA 0.798 5.117 4.320 -0.001 0.000 0.297 344 A C -1.425 175.932 177.584 -0.379 0.000 1.056 344 A CA -0.648 50.895 52.037 -0.823 0.000 0.688 344 A CB 1.747 19.754 19.000 -1.654 0.000 1.282 344 A HN 0.538 nan 8.150 nan 0.000 0.400 345 V N 3.574 123.351 119.914 -0.228 0.000 2.378 345 V HA 0.248 4.368 4.120 -0.001 0.000 0.288 345 V C 0.457 176.472 176.094 -0.133 0.000 1.016 345 V CA -0.125 62.142 62.300 -0.055 0.000 0.840 345 V CB 1.025 32.859 31.823 0.018 0.000 0.994 345 V HN 0.863 nan 8.190 nan 0.000 0.431 346 I N 2.567 123.092 120.570 -0.074 0.000 2.333 346 I HA 0.026 4.196 4.170 -0.001 0.000 0.246 346 I C 0.988 177.052 176.117 -0.089 0.000 1.106 346 I CA 1.272 62.520 61.300 -0.087 0.000 1.411 346 I CB 0.043 38.038 38.000 -0.007 0.000 1.082 346 I HN 0.639 nan 8.210 nan 0.000 0.420 347 D N 1.688 122.066 120.400 -0.036 0.000 2.432 347 D HA 0.230 4.870 4.640 -0.001 0.000 0.265 347 D C -2.519 173.778 176.300 -0.006 0.000 1.160 347 D CA -2.001 51.981 54.000 -0.030 0.000 0.911 347 D CB 1.214 42.020 40.800 0.009 0.000 1.052 347 D HN -0.005 nan 8.370 nan 0.000 0.508 348 P HA 0.162 nan 4.420 nan 0.000 0.279 348 P C -0.939 176.443 177.300 0.138 0.000 1.239 348 P CA -0.493 62.616 63.100 0.015 0.000 0.789 348 P CB 1.943 33.512 31.700 -0.218 0.000 0.933 349 V N 3.242 123.325 119.914 0.282 0.000 2.760 349 V HA 0.347 4.466 4.120 -0.001 0.000 0.309 349 V C -0.240 176.023 176.094 0.282 0.000 1.077 349 V CA -1.140 61.315 62.300 0.259 0.000 0.910 349 V CB 2.111 34.002 31.823 0.113 0.000 1.008 349 V HN 0.512 nan 8.190 nan 0.000 0.424 350 K N 5.217 125.692 120.400 0.125 0.000 2.350 350 K HA 0.522 4.841 4.320 -0.001 0.000 0.279 350 K C -1.003 175.388 176.600 -0.347 0.000 1.027 350 K CA -0.185 55.938 56.287 -0.273 0.000 0.969 350 K CB 0.920 33.127 32.500 -0.489 0.000 0.954 350 K HN 0.694 nan 8.250 nan 0.000 0.474 351 L N 5.958 126.943 121.223 -0.397 0.000 2.376 351 L HA 0.461 4.801 4.340 -0.001 0.000 0.275 351 L C -1.253 175.358 176.870 -0.431 0.000 0.987 351 L CA -0.939 53.660 54.840 -0.402 0.000 0.828 351 L CB 1.655 43.544 42.059 -0.284 0.000 1.249 351 L HN 0.552 nan 8.230 nan 0.000 0.409 352 V N 3.514 123.159 119.914 -0.448 0.000 2.417 352 V HA 0.535 4.654 4.120 -0.001 0.000 0.291 352 V C -0.053 175.925 176.094 -0.193 0.000 1.024 352 V CA -0.488 61.612 62.300 -0.334 0.000 0.861 352 V CB 1.506 33.159 31.823 -0.284 0.000 0.985 352 V HN 0.679 nan 8.190 nan 0.000 0.436 353 I N 4.544 125.001 120.570 -0.188 0.000 2.256 353 I HA 0.298 4.467 4.170 -0.001 0.000 0.294 353 I C 1.263 177.388 176.117 0.014 0.000 1.127 353 I CA -0.040 61.212 61.300 -0.080 0.000 1.247 353 I CB 0.490 38.390 38.000 -0.167 0.000 1.460 353 I HN 0.770 nan 8.210 nan 0.000 0.511 354 E N 3.363 123.604 120.200 0.069 0.000 2.333 354 E HA -0.200 4.149 4.350 -0.001 0.000 0.198 354 E C 1.636 178.288 176.600 0.086 0.000 1.007 354 E CA 0.515 56.964 56.400 0.082 0.000 0.845 354 E CB -0.013 29.747 29.700 0.099 0.000 0.766 354 E HN 0.637 nan 8.360 nan 0.000 0.507 355 N N 0.199 118.980 118.700 0.136 0.000 2.409 355 N HA -0.112 4.627 4.740 -0.001 0.000 0.179 355 N C -0.106 175.570 175.510 0.277 0.000 1.032 355 N CA 0.132 53.297 53.050 0.191 0.000 0.898 355 N CB 0.218 38.861 38.487 0.260 0.000 0.971 355 N HN 0.080 nan 8.380 nan 0.000 0.441 356 Y N 2.716 123.047 120.300 0.051 0.000 2.377 356 Y HA 0.077 4.626 4.550 -0.002 0.000 0.330 356 Y C -0.082 175.795 175.900 -0.038 0.000 1.108 356 Y CA -0.332 57.726 58.100 -0.069 0.000 1.308 356 Y CB 0.542 38.783 38.460 -0.365 0.000 1.216 356 Y HN 0.107 nan 8.280 nan 0.000 0.518 357 Q N 5.091 124.576 119.800 -0.525 0.000 2.330 357 Q HA 0.723 5.062 4.340 -0.001 0.000 0.269 357 Q C -0.579 175.126 176.000 -0.492 0.000 1.022 357 Q CA -0.331 55.261 55.803 -0.353 0.000 0.796 357 Q CB 1.567 30.186 28.738 -0.198 0.000 1.271 357 Q HN 1.008 nan 8.270 nan 0.000 0.450 358 G N 2.370 111.036 108.800 -0.223 0.000 2.354 358 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.582 358 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.582 358 G C -0.403 174.517 174.900 0.032 0.000 1.316 358 G CA -0.428 44.603 45.100 -0.115 0.000 0.995 358 G HN 0.409 nan 8.290 nan 0.000 0.573 359 E N 0.272 120.511 120.200 0.065 0.000 2.479 359 E HA 0.388 4.737 4.350 -0.001 0.000 0.193 359 E C 1.231 177.933 176.600 0.170 0.000 1.049 359 E CA 1.211 57.662 56.400 0.085 0.000 0.870 359 E CB 0.572 30.301 29.700 0.049 0.000 0.944 359 E HN 1.896 nan 8.360 nan 0.000 0.492 360 G N 1.720 110.691 108.800 0.284 0.000 2.353 360 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.615 360 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.615 360 G C -0.835 174.260 174.900 0.325 0.000 1.280 360 G CA -0.273 45.030 45.100 0.339 0.000 1.000 360 G HN 0.151 nan 8.290 nan 0.000 0.516 361 E N -2.349 118.032 120.200 0.301 0.000 2.343 361 E HA 0.779 5.128 4.350 -0.001 0.000 0.257 361 E C -1.168 175.538 176.600 0.177 0.000 1.079 361 E CA -1.141 55.409 56.400 0.251 0.000 0.891 361 E CB 1.460 31.358 29.700 0.330 0.000 1.732 361 E HN 0.839 nan 8.360 nan 0.000 0.465 362 M N 1.761 121.447 119.600 0.145 0.000 2.395 362 M HA 0.420 4.899 4.480 -0.001 0.000 0.307 362 M C -1.556 174.798 176.300 0.091 0.000 1.091 362 M CA -0.724 54.635 55.300 0.098 0.000 0.919 362 M CB 2.206 34.842 32.600 0.059 0.000 1.662 362 M HN 0.565 nan 8.290 nan 0.000 0.440 363 V N 0.317 120.286 119.914 0.093 0.000 2.864 363 V HA 0.782 4.901 4.120 -0.001 0.000 0.314 363 V C -0.394 175.721 176.094 0.035 0.000 1.073 363 V CA -0.541 61.787 62.300 0.048 0.000 0.956 363 V CB 1.748 33.606 31.823 0.059 0.000 1.023 363 V HN 0.780 nan 8.190 nan 0.000 0.435 364 T N 5.780 120.339 114.554 0.010 0.000 2.771 364 T HA 0.597 4.946 4.350 -0.001 0.000 0.291 364 T C -0.236 174.468 174.700 0.008 0.000 0.954 364 T CA -0.024 62.081 62.100 0.009 0.000 1.045 364 T CB 0.440 69.311 68.868 0.005 0.000 0.917 364 T HN 0.696 nan 8.240 nan 0.000 0.484 365 M N 4.810 124.414 119.600 0.006 0.000 2.326 365 M HA 0.353 4.832 4.480 -0.001 0.000 0.306 365 M C -2.578 173.729 176.300 0.012 0.000 1.054 365 M CA -2.357 52.943 55.300 0.001 0.000 0.922 365 M CB 2.483 35.067 32.600 -0.027 0.000 1.632 365 M HN 0.217 nan 8.290 nan 0.000 0.436 366 P HA 0.113 nan 4.420 nan 0.000 0.271 366 P C -0.186 177.147 177.300 0.055 0.000 1.216 366 P CA -0.140 62.986 63.100 0.043 0.000 0.776 366 P CB 0.574 32.304 31.700 0.051 0.000 0.881 367 N N 0.479 119.229 118.700 0.084 0.000 2.446 367 N HA -0.088 4.652 4.740 -0.001 0.000 0.179 367 N C -0.133 175.470 175.510 0.156 0.000 1.054 367 N CA 0.935 54.051 53.050 0.111 0.000 0.905 367 N CB -0.166 38.392 38.487 0.119 0.000 0.973 367 N HN 0.609 nan 8.380 nan 0.000 0.448 368 H N -1.005 118.097 119.070 0.053 0.000 3.287 368 H HA 0.191 4.747 4.556 0.000 0.000 0.329 368 H C -2.129 173.224 175.328 0.040 0.000 1.130 368 H CA -1.083 54.997 56.048 0.054 0.000 1.593 368 H CB 1.710 31.504 29.762 0.052 0.000 1.916 368 H HN -0.174 nan 8.280 nan 0.000 0.503 369 P HA -0.194 nan 4.420 nan 0.000 0.218 369 P C 0.191 177.600 177.300 0.182 0.000 1.152 369 P CA 1.365 64.537 63.100 0.120 0.000 0.857 369 P CB 0.237 31.964 31.700 0.045 0.000 0.787 370 N N -1.526 117.386 118.700 0.353 0.000 2.273 370 N HA 0.117 4.857 4.740 -0.001 0.000 0.231 370 N C -0.284 175.266 175.510 0.066 0.000 1.134 370 N CA 0.224 53.394 53.050 0.199 0.000 0.856 370 N CB 0.241 38.841 38.487 0.188 0.000 1.068 370 N HN 0.109 nan 8.380 nan 0.000 0.510 371 K N 0.392 120.820 120.400 0.047 0.000 3.088 371 K HA 0.152 4.471 4.320 -0.001 0.000 0.193 371 K C -2.037 174.557 176.600 -0.010 0.000 1.176 371 K CA -1.051 55.181 56.287 -0.092 0.000 0.907 371 K CB 2.111 34.386 32.500 -0.375 0.000 1.139 371 K HN -0.116 nan 8.250 nan 0.000 0.597 372 P HA -0.320 nan 4.420 nan 0.000 0.218 372 P C 0.971 178.279 177.300 0.015 0.000 1.150 372 P CA 1.502 64.616 63.100 0.023 0.000 0.841 372 P CB 0.312 32.022 31.700 0.016 0.000 0.784 373 E N 0.186 120.383 120.200 -0.005 0.000 2.160 373 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 373 E C 1.843 178.445 176.600 0.004 0.000 0.991 373 E CA 1.152 57.548 56.400 -0.007 0.000 0.810 373 E CB -1.003 28.683 29.700 -0.024 0.000 0.742 373 E HN 0.300 nan 8.360 nan 0.000 0.466 374 M N 0.913 120.519 119.600 0.011 0.000 2.630 374 M HA 0.086 4.566 4.480 -0.001 0.000 0.254 374 M C 0.982 177.314 176.300 0.053 0.000 1.092 374 M CA 0.915 56.237 55.300 0.037 0.000 1.087 374 M CB -0.029 32.611 32.600 0.067 0.000 1.453 374 M HN 0.358 nan 8.290 nan 0.000 0.509 375 G N -0.061 108.766 108.800 0.045 0.000 2.698 375 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.225 375 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.225 375 G C -0.697 174.234 174.900 0.052 0.000 1.345 375 G CA -0.542 44.585 45.100 0.044 0.000 0.871 375 G HN 0.344 nan 8.290 nan 0.000 0.540 376 S N -0.867 114.860 115.700 0.044 0.000 2.732 376 S HA 0.937 5.407 4.470 -0.001 0.000 0.293 376 S C 0.037 174.658 174.600 0.036 0.000 1.159 376 S CA -0.066 58.158 58.200 0.039 0.000 0.847 376 S CB 2.010 65.228 63.200 0.030 0.000 1.169 376 S HN 1.225 nan 8.310 nan 0.000 0.501 377 R N 0.139 120.655 120.500 0.026 0.000 2.752 377 R HA 0.696 5.035 4.340 -0.001 0.000 0.271 377 R C -2.005 174.302 176.300 0.011 0.000 1.026 377 R CA -0.996 55.116 56.100 0.021 0.000 0.901 377 R CB 0.907 31.218 30.300 0.020 0.000 1.243 377 R HN 0.384 nan 8.270 nan 0.000 0.463 378 Q N 0.886 120.692 119.800 0.010 0.000 2.307 378 Q HA 0.497 4.836 4.340 -0.001 0.000 0.262 378 Q C -1.401 174.597 176.000 -0.004 0.000 0.961 378 Q CA -0.624 55.185 55.803 0.011 0.000 0.882 378 Q CB 2.320 31.069 28.738 0.018 0.000 1.264 378 Q HN 0.502 nan 8.270 nan 0.000 0.446 379 V N 5.518 125.431 119.914 -0.000 0.000 2.680 379 V HA 0.615 4.734 4.120 -0.001 0.000 0.309 379 V C -2.317 173.786 176.094 0.014 0.000 1.052 379 V CA -2.036 60.248 62.300 -0.026 0.000 0.908 379 V CB 1.896 33.677 31.823 -0.070 0.000 1.001 379 V HN 0.775 nan 8.190 nan 0.000 0.431 380 P HA 0.271 nan 4.420 nan 0.000 0.276 380 P C -1.079 176.261 177.300 0.067 0.000 1.235 380 P CA 0.030 63.006 63.100 -0.207 0.000 0.772 380 P CB 0.784 31.936 31.700 -0.913 0.000 0.871 381 F N 2.860 122.805 119.950 -0.008 0.000 2.523 381 F HA 0.610 5.137 4.527 -0.001 0.000 0.329 381 F C -0.185 175.504 175.800 -0.185 0.000 1.061 381 F CA 0.255 58.235 58.000 -0.034 0.000 0.967 381 F CB 1.947 40.900 39.000 -0.078 0.000 1.218 381 F HN 0.552 nan 8.300 nan 0.000 0.480 382 S N 1.250 116.052 115.700 -1.497 0.000 2.669 382 S HA 0.408 4.877 4.470 -0.001 0.000 0.266 382 S C -0.128 173.486 174.600 -1.642 0.000 1.149 382 S CA -0.368 57.108 58.200 -1.207 0.000 0.842 382 S CB 0.808 63.772 63.200 -0.393 0.000 1.160 382 S HN 1.056 nan 8.310 nan 0.000 0.487 383 G N -0.674 107.527 108.800 -0.998 0.000 3.042 383 G HA2 0.335 4.294 3.960 -0.001 0.000 0.212 383 G HA3 0.335 4.294 3.960 -0.001 0.000 0.212 383 G C -0.064 174.546 174.900 -0.484 0.000 1.166 383 G CA -0.064 44.636 45.100 -0.668 0.000 0.767 383 G HN 0.612 nan 8.290 nan 0.000 0.546 384 E N 0.829 120.724 120.200 -0.508 0.000 2.675 384 E HA 0.297 4.647 4.350 -0.001 0.000 0.236 384 E C -0.250 176.007 176.600 -0.572 0.000 1.059 384 E CA -0.345 55.762 56.400 -0.488 0.000 0.775 384 E CB 1.148 30.600 29.700 -0.414 0.000 1.356 384 E HN 0.478 nan 8.360 nan 0.000 0.403 385 I N -2.207 118.026 120.570 -0.561 0.000 3.449 385 I HA 0.676 4.845 4.170 -0.001 0.000 0.294 385 I C -0.708 175.131 176.117 -0.463 0.000 1.163 385 I CA -1.088 59.947 61.300 -0.442 0.000 1.010 385 I CB 1.531 39.366 38.000 -0.275 0.000 1.307 385 I HN 0.192 nan 8.210 nan 0.000 0.518 386 W N 2.232 123.473 121.300 -0.098 0.000 2.702 386 W HA 0.740 5.399 4.660 -0.002 0.000 0.331 386 W C -0.539 175.972 176.519 -0.014 0.000 1.049 386 W CA -0.610 56.681 57.345 -0.090 0.000 1.230 386 W CB 1.960 31.362 29.460 -0.098 0.000 1.408 386 W HN 0.472 nan 8.180 nan 0.000 0.492 387 I N -1.276 119.440 120.570 0.244 0.000 3.074 387 I HA 0.582 4.751 4.170 -0.001 0.000 0.310 387 I C -1.113 175.049 176.117 0.075 0.000 1.153 387 I CA -1.174 60.184 61.300 0.097 0.000 0.993 387 I CB 2.191 40.219 38.000 0.047 0.000 1.237 387 I HN 0.228 nan 8.210 nan 0.000 0.443 388 D N 1.847 122.233 120.400 -0.024 0.000 2.308 388 D HA 0.280 4.920 4.640 -0.001 0.000 0.251 388 D C 1.091 177.437 176.300 0.077 0.000 1.127 388 D CA -0.248 53.768 54.000 0.027 0.000 0.876 388 D CB 1.300 42.115 40.800 0.025 0.000 1.176 388 D HN 0.503 nan 8.370 nan 0.000 0.446 389 R N 2.787 123.346 120.500 0.099 0.000 2.113 389 R HA -0.242 4.098 4.340 -0.001 0.000 0.244 389 R C 1.859 178.253 176.300 0.157 0.000 1.142 389 R CA 1.549 57.731 56.100 0.136 0.000 0.953 389 R CB -0.448 29.918 30.300 0.110 0.000 0.860 389 R HN 0.548 nan 8.270 nan 0.000 0.438 390 A N 1.044 123.939 122.820 0.126 0.000 2.234 390 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 390 A C 1.075 178.767 177.584 0.180 0.000 1.167 390 A CA 1.407 53.529 52.037 0.140 0.000 0.698 390 A CB -0.188 18.880 19.000 0.113 0.000 0.779 390 A HN 0.254 nan 8.150 nan 0.000 0.475 391 D N -2.074 118.427 120.400 0.168 0.000 2.339 391 D HA 0.144 4.784 4.640 -0.001 0.000 0.217 391 D C -0.475 176.006 176.300 0.301 0.000 1.050 391 D CA 0.220 54.320 54.000 0.168 0.000 0.856 391 D CB 0.209 41.048 40.800 0.065 0.000 0.922 391 D HN 0.438 nan 8.370 nan 0.000 0.518 392 F N 1.388 121.434 119.950 0.160 0.000 2.493 392 F HA 0.528 5.054 4.527 -0.002 0.000 0.329 392 F C -0.757 175.106 175.800 0.105 0.000 1.126 392 F CA -1.041 57.041 58.000 0.137 0.000 0.937 392 F CB 1.145 40.186 39.000 0.068 0.000 1.146 392 F HN -0.449 nan 8.300 nan 0.000 0.442 393 R N 4.219 124.255 120.500 -0.774 0.000 2.502 393 R HA 0.303 4.642 4.340 -0.001 0.000 0.300 393 R C 0.550 176.284 176.300 -0.944 0.000 0.984 393 R CA -0.370 55.220 56.100 -0.851 0.000 0.882 393 R CB 1.282 31.008 30.300 -0.958 0.000 1.180 393 R HN 0.812 nan 8.270 nan 0.000 0.444 394 E N 1.545 121.260 120.200 -0.808 0.000 2.338 394 E HA -0.128 4.221 4.350 -0.001 0.000 0.197 394 E C -0.249 176.197 176.600 -0.257 0.000 1.007 394 E CA 1.050 57.194 56.400 -0.425 0.000 0.849 394 E CB 0.321 29.908 29.700 -0.189 0.000 0.774 394 E HN 0.574 nan 8.360 nan 0.000 0.506 395 E N -0.990 119.025 120.200 -0.308 0.000 2.350 395 E HA 0.719 5.068 4.350 -0.001 0.000 0.243 395 E C -1.001 175.412 176.600 -0.311 0.000 0.959 395 E CA -0.709 55.556 56.400 -0.225 0.000 0.883 395 E CB 0.565 30.171 29.700 -0.157 0.000 1.820 395 E HN 0.023 nan 8.360 nan 0.000 0.441 396 A N 0.289 122.977 122.820 -0.219 0.000 2.435 396 A HA 0.082 4.401 4.320 -0.001 0.000 0.686 396 A C -0.233 177.285 177.584 -0.109 0.000 0.138 396 A CA -0.384 51.526 52.037 -0.211 0.000 0.024 396 A CB -1.840 16.927 19.000 -0.388 0.000 3.974 396 A HN 1.035 nan 8.150 nan 0.000 0.548 397 N N 0.808 119.482 118.700 -0.043 0.000 2.072 397 N HA -0.169 4.571 4.740 -0.001 0.000 0.227 397 N C 0.675 176.219 175.510 0.057 0.000 1.283 397 N CA 1.262 54.323 53.050 0.019 0.000 0.868 397 N CB 0.135 38.647 38.487 0.042 0.000 1.049 397 N HN 0.715 nan 8.380 nan 0.000 0.460 398 K N -0.016 120.416 120.400 0.054 0.000 2.243 398 K HA -0.002 4.317 4.320 -0.001 0.000 0.201 398 K C 2.013 178.659 176.600 0.077 0.000 1.051 398 K CA 0.910 57.232 56.287 0.059 0.000 0.970 398 K CB -0.010 32.514 32.500 0.039 0.000 0.755 398 K HN 0.463 nan 8.250 nan 0.000 0.465 399 Q N -0.277 119.573 119.800 0.082 0.000 2.230 399 Q HA -0.052 4.288 4.340 -0.001 0.000 0.202 399 Q C -0.088 175.970 176.000 0.097 0.000 0.963 399 Q CA 0.412 56.260 55.803 0.075 0.000 0.866 399 Q CB -0.012 28.764 28.738 0.063 0.000 0.931 399 Q HN 0.335 nan 8.270 nan 0.000 0.452 400 Y N 2.820 123.124 120.300 0.006 0.000 2.770 400 Y HA -0.139 4.410 4.550 -0.001 0.000 0.342 400 Y C 0.980 176.887 175.900 0.012 0.000 1.221 400 Y CA 0.654 58.757 58.100 0.005 0.000 1.560 400 Y CB 0.257 38.711 38.460 -0.010 0.000 1.213 400 Y HN -0.020 nan 8.280 nan 0.000 0.525 401 K N 4.287 124.562 120.400 -0.208 0.000 2.372 401 K HA 0.273 4.592 4.320 -0.001 0.000 0.200 401 K C 0.269 176.789 176.600 -0.132 0.000 1.022 401 K CA -0.117 56.107 56.287 -0.105 0.000 1.125 401 K CB 0.586 33.043 32.500 -0.071 0.000 0.855 401 K HN 0.470 nan 8.250 nan 0.000 0.524 402 R N 0.367 120.665 120.500 -0.337 0.000 2.523 402 R HA 0.298 4.637 4.340 -0.001 0.000 0.229 402 R C -0.427 175.974 176.300 0.167 0.000 1.265 402 R CA -1.092 54.926 56.100 -0.137 0.000 1.081 402 R CB 0.153 30.271 30.300 -0.302 0.000 1.540 402 R HN -0.014 nan 8.270 nan 0.000 0.560 403 L N 1.546 122.910 121.223 0.235 0.000 2.500 403 L HA 0.124 4.464 4.340 -0.001 0.000 0.272 403 L C -1.007 176.042 176.870 0.298 0.000 1.149 403 L CA 0.476 55.489 54.840 0.289 0.000 0.897 403 L CB 0.575 42.831 42.059 0.328 0.000 1.178 403 L HN 0.184 nan 8.230 nan 0.000 0.473 404 V N 6.195 126.233 119.914 0.206 0.000 2.667 404 V HA 0.189 4.309 4.120 -0.001 0.000 0.308 404 V C 0.791 176.973 176.094 0.148 0.000 1.048 404 V CA -0.871 61.466 62.300 0.062 0.000 0.928 404 V CB 1.679 33.525 31.823 0.038 0.000 1.004 404 V HN 0.702 nan 8.190 nan 0.000 0.444 405 L N 3.203 124.484 121.223 0.098 0.000 2.879 405 L HA 0.210 4.549 4.340 -0.001 0.000 0.254 405 L C 1.075 178.027 176.870 0.136 0.000 1.157 405 L CA 1.521 56.495 54.840 0.224 0.000 0.886 405 L CB -0.907 41.260 42.059 0.180 0.000 1.076 405 L HN 0.926 nan 8.230 nan 0.000 0.446 406 G N -0.826 108.036 108.800 0.103 0.000 5.374 406 G HA2 0.319 4.278 3.960 -0.001 0.000 0.198 406 G HA3 0.319 4.278 3.960 -0.001 0.000 0.198 406 G C -0.595 174.347 174.900 0.070 0.000 0.812 406 G CA -0.283 44.862 45.100 0.075 0.000 0.614 406 G HN 0.141 nan 8.290 nan 0.000 0.357 407 K N 0.407 120.862 120.400 0.092 0.000 2.615 407 K HA 0.603 4.922 4.320 -0.001 0.000 0.291 407 K C -1.125 175.534 176.600 0.098 0.000 1.017 407 K CA -0.654 55.684 56.287 0.085 0.000 0.882 407 K CB 1.470 34.022 32.500 0.087 0.000 1.522 407 K HN 0.186 nan 8.250 nan 0.000 0.412 408 E N 0.176 120.426 120.200 0.083 0.000 2.232 408 E HA 0.728 5.078 4.350 -0.001 0.000 0.264 408 E C -0.656 175.995 176.600 0.085 0.000 0.973 408 E CA -0.887 55.562 56.400 0.082 0.000 0.849 408 E CB 1.641 31.379 29.700 0.064 0.000 1.198 408 E HN 0.486 nan 8.360 nan 0.000 0.407 409 V N -2.053 117.911 119.914 0.084 0.000 3.188 409 V HA 0.716 4.835 4.120 -0.001 0.000 0.305 409 V C -0.995 175.144 176.094 0.076 0.000 1.232 409 V CA -1.372 60.975 62.300 0.079 0.000 1.043 409 V CB 1.805 33.682 31.823 0.090 0.000 1.068 409 V HN 0.681 nan 8.190 nan 0.000 0.439 410 R N 1.530 122.074 120.500 0.073 0.000 2.229 410 R HA 0.664 5.004 4.340 -0.001 0.000 0.328 410 R C -0.916 175.445 176.300 0.101 0.000 1.009 410 R CA -0.754 55.391 56.100 0.074 0.000 0.864 410 R CB 0.447 30.783 30.300 0.060 0.000 1.085 410 R HN 0.888 nan 8.270 nan 0.000 0.453 411 L N 4.576 125.855 121.223 0.094 0.000 2.367 411 L HA 0.349 4.689 4.340 -0.001 0.000 0.275 411 L C 0.887 177.934 176.870 0.295 0.000 1.129 411 L CA -0.612 54.321 54.840 0.155 0.000 0.839 411 L CB 0.627 42.606 42.059 -0.133 0.000 1.133 411 L HN 0.438 nan 8.230 nan 0.000 0.453 412 R N 3.522 124.299 120.500 0.462 0.000 2.501 412 R HA -0.132 4.207 4.340 -0.001 0.000 0.319 412 R C 0.474 176.983 176.300 0.349 0.000 0.913 412 R CA 0.777 57.070 56.100 0.321 0.000 1.104 412 R CB -0.793 29.622 30.300 0.192 0.000 0.901 412 R HN 0.769 nan 8.270 nan 0.000 0.407 413 N N 0.276 119.070 118.700 0.157 0.000 2.708 413 N HA -0.324 4.415 4.740 -0.001 0.000 0.251 413 N C -0.319 175.206 175.510 0.025 0.000 1.123 413 N CA 0.941 54.040 53.050 0.081 0.000 0.739 413 N CB -0.384 38.146 38.487 0.072 0.000 1.113 413 N HN 0.734 nan 8.380 nan 0.000 0.561 414 A N -0.930 121.880 122.820 -0.017 0.000 3.988 414 A HA 0.728 5.047 4.320 -0.001 0.000 0.178 414 A C -0.818 176.501 177.584 -0.442 0.000 0.740 414 A CA -0.503 51.318 52.037 -0.361 0.000 0.806 414 A CB 0.341 19.130 19.000 -0.352 0.000 1.517 414 A HN 0.129 nan 8.150 nan 0.000 0.811 415 Y N -0.884 119.262 120.300 -0.256 0.000 2.408 415 Y HA 0.524 5.074 4.550 -0.000 0.000 0.324 415 Y C 0.446 176.327 175.900 -0.030 0.000 1.302 415 Y CA -0.638 57.397 58.100 -0.109 0.000 1.384 415 Y CB 0.687 39.139 38.460 -0.014 0.000 1.367 415 Y HN 0.254 nan 8.280 nan 0.000 0.525 416 V N 3.335 123.374 119.914 0.208 0.000 2.481 416 V HA 0.377 4.496 4.120 -0.001 0.000 0.286 416 V C -0.002 176.178 176.094 0.143 0.000 1.042 416 V CA -0.646 61.730 62.300 0.127 0.000 0.928 416 V CB 0.713 32.587 31.823 0.086 0.000 0.986 416 V HN 0.595 nan 8.190 nan 0.000 0.462 417 I N 1.344 121.981 120.570 0.112 0.000 3.002 417 I HA 0.745 4.914 4.170 -0.001 0.000 0.310 417 I C -0.710 175.459 176.117 0.086 0.000 1.087 417 I CA -0.980 60.385 61.300 0.108 0.000 1.017 417 I CB 2.259 40.308 38.000 0.081 0.000 1.226 417 I HN 0.513 nan 8.210 nan 0.000 0.443 418 K N 3.138 123.587 120.400 0.081 0.000 2.541 418 K HA 0.708 5.027 4.320 -0.001 0.000 0.250 418 K C -1.013 175.637 176.600 0.083 0.000 0.950 418 K CA -0.560 55.776 56.287 0.080 0.000 0.805 418 K CB 2.061 34.600 32.500 0.065 0.000 1.166 418 K HN 0.951 nan 8.250 nan 0.000 0.430 419 A N 3.501 126.387 122.820 0.109 0.000 2.407 419 A HA 0.237 4.556 4.320 -0.001 0.000 0.248 419 A C 0.083 177.739 177.584 0.119 0.000 1.082 419 A CA 0.159 52.267 52.037 0.118 0.000 0.785 419 A CB 0.470 19.610 19.000 0.233 0.000 1.020 419 A HN 1.009 nan 8.150 nan 0.000 0.489 420 E N -0.114 120.152 120.200 0.111 0.000 3.001 420 E HA 0.141 4.490 4.350 -0.001 0.000 0.211 420 E C 0.602 177.264 176.600 0.102 0.000 1.026 420 E CA -0.162 56.295 56.400 0.095 0.000 1.614 420 E CB 0.492 30.233 29.700 0.068 0.000 1.672 420 E HN 0.605 nan 8.360 nan 0.000 0.869 421 R N 0.764 121.340 120.500 0.127 0.000 2.919 421 R HA 0.714 5.053 4.340 -0.001 0.000 0.260 421 R C -1.440 174.995 176.300 0.224 0.000 1.067 421 R CA -0.587 55.595 56.100 0.137 0.000 1.003 421 R CB 2.249 32.572 30.300 0.040 0.000 1.192 421 R HN 0.019 nan 8.270 nan 0.000 0.488 422 V N -0.024 120.027 119.914 0.227 0.000 3.181 422 V HA 0.531 4.651 4.120 -0.001 0.000 0.307 422 V C -1.683 174.559 176.094 0.245 0.000 1.310 422 V CA -0.526 61.893 62.300 0.199 0.000 1.067 422 V CB 2.529 34.449 31.823 0.162 0.000 1.081 422 V HN 0.910 nan 8.190 nan 0.000 0.453 423 E N 1.212 121.522 120.200 0.184 0.000 2.347 423 E HA 0.509 4.858 4.350 -0.001 0.000 0.285 423 E C -1.604 175.056 176.600 0.101 0.000 0.925 423 E CA -0.586 55.917 56.400 0.173 0.000 0.779 423 E CB 2.117 31.992 29.700 0.292 0.000 1.233 423 E HN 0.649 nan 8.360 nan 0.000 0.414 424 K N 1.612 122.062 120.400 0.083 0.000 2.312 424 K HA 0.420 4.739 4.320 -0.001 0.000 0.236 424 K C -0.607 176.025 176.600 0.053 0.000 1.079 424 K CA -0.819 55.507 56.287 0.066 0.000 0.900 424 K CB 0.943 33.482 32.500 0.064 0.000 1.297 424 K HN 0.566 nan 8.250 nan 0.000 0.498 425 D N -0.958 119.469 120.400 0.045 0.000 2.808 425 D HA 0.282 4.921 4.640 -0.001 0.000 0.249 425 D C 0.783 177.101 176.300 0.030 0.000 1.151 425 D CA -0.464 53.558 54.000 0.036 0.000 1.089 425 D CB -0.006 40.815 40.800 0.035 0.000 1.295 425 D HN 0.394 nan 8.370 nan 0.000 0.631 426 A N -0.072 122.763 122.820 0.025 0.000 1.851 426 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 426 A C 1.756 179.352 177.584 0.021 0.000 1.195 426 A CA 2.092 54.141 52.037 0.021 0.000 0.622 426 A CB -1.133 17.878 19.000 0.018 0.000 0.831 426 A HN 0.708 nan 8.150 nan 0.000 0.444 427 E N -0.739 119.474 120.200 0.022 0.000 2.438 427 E HA 0.229 4.579 4.350 -0.001 0.000 0.192 427 E C 1.073 177.688 176.600 0.025 0.000 1.110 427 E CA 0.410 56.822 56.400 0.021 0.000 0.893 427 E CB -0.636 29.075 29.700 0.020 0.000 0.990 427 E HN 0.770 nan 8.360 nan 0.000 0.490 428 G N 0.961 109.778 108.800 0.028 0.000 2.184 428 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.264 428 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.264 428 G C -0.027 174.898 174.900 0.043 0.000 0.975 428 G CA 0.439 45.559 45.100 0.033 0.000 0.642 428 G HN 0.446 nan 8.290 nan 0.000 0.536 429 N N 0.368 119.093 118.700 0.042 0.000 2.454 429 N HA 0.445 5.185 4.740 -0.001 0.000 0.254 429 N C 0.776 176.321 175.510 0.058 0.000 1.228 429 N CA -0.092 52.988 53.050 0.050 0.000 0.900 429 N CB 0.799 39.312 38.487 0.043 0.000 1.089 429 N HN 0.378 nan 8.380 nan 0.000 0.449 430 I N 0.666 121.280 120.570 0.073 0.000 2.720 430 I HA 0.002 4.171 4.170 -0.001 0.000 0.287 430 I C 1.471 177.616 176.117 0.047 0.000 1.090 430 I CA 0.124 61.467 61.300 0.072 0.000 1.384 430 I CB 0.939 39.002 38.000 0.105 0.000 1.420 430 I HN 0.768 nan 8.210 nan 0.000 0.575 431 T N -1.403 113.163 114.554 0.021 0.000 3.010 431 T HA 0.110 4.459 4.350 -0.001 0.000 0.252 431 T C 0.483 175.138 174.700 -0.074 0.000 0.963 431 T CA -0.026 62.077 62.100 0.004 0.000 0.952 431 T CB 0.607 69.487 68.868 0.021 0.000 1.182 431 T HN 0.659 nan 8.240 nan 0.000 0.495 432 T N 0.688 115.149 114.554 -0.154 0.000 3.097 432 T HA 0.612 4.961 4.350 -0.001 0.000 0.332 432 T C -2.241 172.131 174.700 -0.546 0.000 1.269 432 T CA -0.705 61.158 62.100 -0.394 0.000 1.076 432 T CB 1.265 69.802 68.868 -0.551 0.000 1.209 432 T HN 0.140 nan 8.240 nan 0.000 0.474 433 I N 4.869 125.054 120.570 -0.641 0.000 2.355 433 I HA 0.495 4.664 4.170 -0.001 0.000 0.288 433 I C -0.676 175.077 176.117 -0.607 0.000 0.999 433 I CA -0.425 60.513 61.300 -0.604 0.000 1.163 433 I CB 0.973 38.532 38.000 -0.735 0.000 1.316 433 I HN 0.533 nan 8.210 nan 0.000 0.454 434 F N 5.241 125.085 119.950 -0.178 0.000 2.411 434 F HA 0.567 5.094 4.527 -0.001 0.000 0.350 434 F C 0.389 176.134 175.800 -0.092 0.000 1.114 434 F CA -0.279 57.649 58.000 -0.121 0.000 1.135 434 F CB 0.816 39.765 39.000 -0.084 0.000 1.120 434 F HN 0.386 nan 8.300 nan 0.000 0.495 435 C N 0.346 119.681 119.300 0.058 0.000 3.213 435 C HA 0.880 5.339 4.460 -0.001 0.000 0.319 435 C C -0.094 174.942 174.990 0.078 0.000 1.386 435 C CA -0.929 58.118 59.018 0.050 0.000 1.494 435 C CB 1.971 29.710 27.740 -0.001 0.000 1.905 435 C HN 0.869 nan 8.230 nan 0.000 0.456 436 T N -0.844 113.766 114.554 0.093 0.000 2.907 436 T HA 0.766 5.116 4.350 -0.001 0.000 0.292 436 T C -1.182 173.627 174.700 0.181 0.000 1.043 436 T CA -0.386 61.792 62.100 0.131 0.000 1.003 436 T CB 1.622 70.535 68.868 0.076 0.000 1.084 436 T HN 1.045 nan 8.240 nan 0.000 0.483 437 Y N -0.535 119.758 120.300 -0.012 0.000 2.499 437 Y HA 0.659 5.208 4.550 -0.002 0.000 0.347 437 Y C -0.763 175.101 175.900 -0.059 0.000 0.987 437 Y CA -1.852 56.229 58.100 -0.032 0.000 1.044 437 Y CB 1.316 39.741 38.460 -0.057 0.000 1.245 437 Y HN 0.689 nan 8.280 nan 0.000 0.461 438 D N 3.150 123.373 120.400 -0.296 0.000 2.338 438 D HA 0.186 4.826 4.640 -0.001 0.000 0.255 438 D C 1.211 177.125 176.300 -0.642 0.000 1.237 438 D CA 0.779 54.565 54.000 -0.357 0.000 0.883 438 D CB 1.634 42.369 40.800 -0.107 0.000 1.087 438 D HN 0.960 nan 8.370 nan 0.000 0.485 439 A N 4.373 126.716 122.820 -0.794 0.000 2.001 439 A HA -0.244 4.075 4.320 -0.001 0.000 0.224 439 A C 0.969 178.394 177.584 -0.266 0.000 1.203 439 A CA 1.820 53.448 52.037 -0.682 0.000 0.667 439 A CB -0.070 18.717 19.000 -0.354 0.000 0.823 439 A HN 0.688 nan 8.150 nan 0.000 0.473 440 D N -1.919 118.428 120.400 -0.088 0.000 2.323 440 D HA 0.441 5.080 4.640 -0.001 0.000 0.242 440 D C -1.087 175.278 176.300 0.107 0.000 1.347 440 D CA 0.277 54.345 54.000 0.113 0.000 0.988 440 D CB 0.818 41.655 40.800 0.061 0.000 1.314 440 D HN 0.066 nan 8.370 nan 0.000 0.564 441 T N 2.701 117.383 114.554 0.214 0.000 3.201 441 T HA 0.539 4.888 4.350 -0.001 0.000 0.338 441 T C -0.214 174.498 174.700 0.019 0.000 1.095 441 T CA -0.730 61.433 62.100 0.105 0.000 1.426 441 T CB -0.307 68.628 68.868 0.112 0.000 0.956 441 T HN 0.480 nan 8.240 nan 0.000 0.551 455 V N 0.529 120.466 119.914 0.038 0.000 2.876 455 V HA 0.817 4.936 4.120 -0.001 0.000 0.312 455 V C -0.064 176.081 176.094 0.084 0.000 1.085 455 V CA -0.673 61.669 62.300 0.069 0.000 0.945 455 V CB 1.622 33.487 31.823 0.070 0.000 1.017 455 V HN 1.126 nan 8.190 nan 0.000 0.428 456 I N 0.268 120.911 120.570 0.122 0.000 2.894 456 I HA 0.749 4.918 4.170 -0.001 0.000 0.302 456 I C -0.479 175.757 176.117 0.199 0.000 1.188 456 I CA -0.893 60.480 61.300 0.121 0.000 1.014 456 I CB 2.392 40.415 38.000 0.039 0.000 1.242 456 I HN 0.895 nan 8.210 nan 0.000 0.430 457 H N 2.755 121.889 119.070 0.106 0.000 2.505 457 H HA 0.718 5.273 4.556 -0.001 0.000 0.355 457 H C -1.097 174.313 175.328 0.136 0.000 1.179 457 H CA -0.555 55.511 56.048 0.031 0.000 1.343 457 H CB 1.099 30.799 29.762 -0.103 0.000 1.501 457 H HN 0.820 nan 8.280 nan 0.000 0.569 458 W N -0.522 120.790 121.300 0.021 0.000 2.988 458 W HA 0.621 5.280 4.660 -0.002 0.000 0.355 458 W C -2.400 174.130 176.519 0.018 0.000 1.233 458 W CA -1.212 56.125 57.345 -0.014 0.000 1.176 458 W CB 0.610 30.062 29.460 -0.013 0.000 1.477 458 W HN 0.596 nan 8.180 nan 0.000 0.582 459 V N 1.654 121.735 119.914 0.279 0.000 2.777 459 V HA 0.235 4.354 4.120 -0.001 0.000 0.306 459 V C -0.088 176.208 176.094 0.337 0.000 1.112 459 V CA -0.626 61.766 62.300 0.154 0.000 0.917 459 V CB 1.741 33.631 31.823 0.111 0.000 1.018 459 V HN 0.602 nan 8.190 nan 0.000 0.426 460 S N 3.560 119.434 115.700 0.290 0.000 2.488 460 S HA 0.383 4.852 4.470 -0.001 0.000 0.278 460 S C 1.437 176.064 174.600 0.044 0.000 1.259 460 S CA 0.205 58.489 58.200 0.139 0.000 1.061 460 S CB 1.201 64.531 63.200 0.217 0.000 0.910 460 S HN 1.165 nan 8.310 nan 0.000 0.491 461 A N 5.438 128.091 122.820 -0.279 0.000 1.986 461 A HA 0.010 4.329 4.320 -0.001 0.000 0.220 461 A C 2.341 179.821 177.584 -0.173 0.000 1.171 461 A CA 1.951 53.744 52.037 -0.407 0.000 0.640 461 A CB -1.185 17.226 19.000 -0.982 0.000 0.811 461 A HN 1.189 nan 8.150 nan 0.000 0.451 462 A N -0.643 122.065 122.820 -0.187 0.000 1.897 462 A HA -0.040 4.279 4.320 -0.001 0.000 0.215 462 A C 1.460 178.872 177.584 -0.286 0.000 1.181 462 A CA 1.466 53.331 52.037 -0.286 0.000 0.620 462 A CB -0.612 18.107 19.000 -0.468 0.000 0.821 462 A HN 0.665 nan 8.150 nan 0.000 0.443 463 H N -0.679 118.379 119.070 -0.020 0.000 2.524 463 H HA 0.666 5.221 4.556 -0.001 0.000 0.297 463 H C 0.159 175.502 175.328 0.025 0.000 1.115 463 H CA -0.172 55.882 56.048 0.009 0.000 1.027 463 H CB -0.390 29.380 29.762 0.013 0.000 1.591 463 H HN 0.455 nan 8.280 nan 0.000 0.543 464 A N 1.064 123.971 122.820 0.144 0.000 2.306 464 A HA 0.517 4.836 4.320 -0.001 0.000 0.314 464 A C -0.553 177.135 177.584 0.174 0.000 1.164 464 A CA -0.716 51.418 52.037 0.163 0.000 0.822 464 A CB 0.625 19.751 19.000 0.211 0.000 1.130 464 A HN 0.353 nan 8.150 nan 0.000 0.496 465 L N 3.538 124.840 121.223 0.131 0.000 2.275 465 L HA 0.563 4.902 4.340 -0.001 0.000 0.288 465 L C -2.531 174.395 176.870 0.094 0.000 1.046 465 L CA -1.888 53.010 54.840 0.096 0.000 0.805 465 L CB 1.275 43.350 42.059 0.027 0.000 1.193 465 L HN 0.308 nan 8.230 nan 0.000 0.426 466 P HA 0.206 nan 4.420 nan 0.000 0.276 466 P C -1.202 176.032 177.300 -0.111 0.000 1.264 466 P CA 0.086 63.142 63.100 -0.074 0.000 0.769 466 P CB 0.985 32.688 31.700 0.005 0.000 0.840 467 V N 3.473 123.251 119.914 -0.228 0.000 2.769 467 V HA 0.336 4.455 4.120 -0.001 0.000 0.312 467 V C 0.112 176.138 176.094 -0.114 0.000 1.061 467 V CA -0.744 61.495 62.300 -0.103 0.000 0.931 467 V CB 2.249 33.968 31.823 -0.173 0.000 1.010 467 V HN 0.415 nan 8.190 nan 0.000 0.433 468 E N 3.656 123.873 120.200 0.028 0.000 2.174 468 E HA 0.564 4.913 4.350 -0.001 0.000 0.282 468 E C -1.307 175.352 176.600 0.098 0.000 0.992 468 E CA -0.442 55.964 56.400 0.010 0.000 0.803 468 E CB 1.144 30.859 29.700 0.025 0.000 1.090 468 E HN 0.589 nan 8.360 nan 0.000 0.396 469 I N 4.718 125.312 120.570 0.040 0.000 2.404 469 I HA 0.375 4.544 4.170 -0.001 0.000 0.293 469 I C -0.053 176.103 176.117 0.066 0.000 0.992 469 I CA -0.861 60.512 61.300 0.122 0.000 1.149 469 I CB 1.668 39.718 38.000 0.082 0.000 1.315 469 I HN 0.429 nan 8.210 nan 0.000 0.446 470 R N 6.972 127.523 120.500 0.085 0.000 2.275 470 R HA 0.518 4.857 4.340 -0.001 0.000 0.326 470 R C -1.176 174.968 176.300 -0.260 0.000 0.973 470 R CA -0.680 55.323 56.100 -0.162 0.000 0.854 470 R CB 1.125 31.294 30.300 -0.219 0.000 1.156 470 R HN 0.510 nan 8.270 nan 0.000 0.487 471 L N 4.428 125.509 121.223 -0.238 0.000 2.260 471 L HA 0.369 4.708 4.340 -0.001 0.000 0.289 471 L C -0.519 176.185 176.870 -0.277 0.000 1.057 471 L CA -0.557 54.195 54.840 -0.146 0.000 0.811 471 L CB 0.084 42.120 42.059 -0.038 0.000 1.184 471 L HN 0.396 nan 8.230 nan 0.000 0.429 472 Y N 1.469 121.760 120.300 -0.015 0.000 2.419 472 Y HA 0.522 5.071 4.550 -0.002 0.000 0.328 472 Y C 0.170 176.050 175.900 -0.034 0.000 1.162 472 Y CA -0.431 57.656 58.100 -0.022 0.000 1.174 472 Y CB 1.674 40.122 38.460 -0.019 0.000 1.228 472 Y HN 0.509 nan 8.280 nan 0.000 0.473 473 D N -0.524 119.956 120.400 0.134 0.000 2.744 473 D HA 0.293 4.932 4.640 -0.001 0.000 0.304 473 D C -1.207 175.102 176.300 0.015 0.000 1.179 473 D CA -0.973 53.051 54.000 0.039 0.000 1.024 473 D CB 1.193 41.990 40.800 -0.006 0.000 1.453 473 D HN 0.530 nan 8.370 nan 0.000 0.529 474 R N 0.978 121.453 120.500 -0.042 0.000 2.585 474 R HA 0.110 4.450 4.340 -0.001 0.000 0.275 474 R C 1.106 177.390 176.300 -0.027 0.000 1.018 474 R CA -0.247 55.830 56.100 -0.039 0.000 1.072 474 R CB 0.351 30.551 30.300 -0.166 0.000 0.953 474 R HN 0.475 nan 8.270 nan 0.000 0.419 475 L N 1.608 122.812 121.223 -0.031 0.000 2.046 475 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 475 L C 0.188 176.805 176.870 -0.422 0.000 1.077 475 L CA 1.393 56.079 54.840 -0.257 0.000 0.747 475 L CB 0.075 41.910 42.059 -0.374 0.000 0.896 475 L HN 0.555 nan 8.230 nan 0.000 0.432 476 F N -2.376 117.649 119.950 0.125 0.000 2.507 476 F HA 0.229 4.755 4.527 -0.002 0.000 0.327 476 F C 1.453 177.372 175.800 0.198 0.000 1.068 476 F CA -0.652 57.434 58.000 0.144 0.000 0.965 476 F CB 1.550 40.648 39.000 0.162 0.000 1.192 476 F HN -0.318 nan 8.300 nan 0.000 0.476 477 S N 0.023 115.923 115.700 0.334 0.000 2.489 477 S HA 0.041 4.510 4.470 -0.001 0.000 0.228 477 S C 0.340 175.146 174.600 0.342 0.000 0.995 477 S CA 0.257 58.610 58.200 0.256 0.000 0.934 477 S CB -0.272 63.021 63.200 0.154 0.000 0.771 477 S HN 0.403 nan 8.310 nan 0.000 0.522 478 V N -1.579 118.527 119.914 0.320 0.000 2.815 478 V HA 0.496 4.615 4.120 -0.001 0.000 0.314 478 V C -2.539 173.423 176.094 -0.221 0.000 1.064 478 V CA -2.349 60.022 62.300 0.119 0.000 0.952 478 V CB 1.492 33.338 31.823 0.037 0.000 1.020 478 V HN -0.161 nan 8.190 nan 0.000 0.439 479 P HA -0.041 nan 4.420 nan 0.000 0.218 479 P C 0.322 177.334 177.300 -0.480 0.000 1.149 479 P CA 1.393 63.898 63.100 -0.991 0.000 0.817 479 P CB 0.113 31.462 31.700 -0.585 0.000 0.785 480 N N -1.088 117.439 118.700 -0.287 0.000 2.841 480 N HA 0.128 4.868 4.740 -0.001 0.000 0.257 480 N C -1.843 173.544 175.510 -0.206 0.000 1.396 480 N CA -2.346 50.575 53.050 -0.215 0.000 0.823 480 N CB 0.318 38.709 38.487 -0.161 0.000 1.162 480 N HN -0.051 nan 8.380 nan 0.000 0.503 481 P HA -0.003 nan 4.420 nan 0.000 0.220 481 P C 1.228 178.342 177.300 -0.310 0.000 1.148 481 P CA 0.696 63.583 63.100 -0.356 0.000 0.803 481 P CB 0.170 31.324 31.700 -0.910 0.000 0.782 482 G N 0.346 108.942 108.800 -0.340 0.000 2.559 482 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.216 482 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.216 482 G C 1.382 176.161 174.900 -0.201 0.000 1.126 482 G CA 0.580 45.484 45.100 -0.325 0.000 0.778 482 G HN 0.411 nan 8.290 nan 0.000 0.543 483 A N -0.301 122.428 122.820 -0.151 0.000 2.462 483 A HA 0.788 5.107 4.320 -0.001 0.000 0.261 483 A C 1.076 178.622 177.584 -0.063 0.000 1.323 483 A CA 0.525 52.502 52.037 -0.100 0.000 0.913 483 A CB -0.116 18.827 19.000 -0.094 0.000 1.028 483 A HN 0.548 nan 8.150 nan 0.000 0.511 484 A N -0.626 122.167 122.820 -0.045 0.000 2.282 484 A HA 0.514 4.833 4.320 -0.001 0.000 0.319 484 A C 0.599 178.198 177.584 0.025 0.000 1.121 484 A CA -0.343 51.693 52.037 -0.001 0.000 0.836 484 A CB 0.549 19.564 19.000 0.025 0.000 1.146 484 A HN 0.278 nan 8.150 nan 0.000 0.494 485 D N -0.027 120.389 120.400 0.026 0.000 2.078 485 D HA -0.113 4.526 4.640 -0.001 0.000 0.193 485 D C -0.271 176.068 176.300 0.064 0.000 0.990 485 D CA 1.655 55.675 54.000 0.032 0.000 0.827 485 D CB 0.187 41.000 40.800 0.020 0.000 0.975 485 D HN 0.597 nan 8.370 nan 0.000 0.451 486 D N -0.322 120.117 120.400 0.064 0.000 2.461 486 D HA 0.042 4.681 4.640 -0.001 0.000 0.240 486 D C 0.823 177.175 176.300 0.086 0.000 1.094 486 D CA -0.658 53.386 54.000 0.072 0.000 0.868 486 D CB 0.424 41.232 40.800 0.013 0.000 1.062 486 D HN -0.076 nan 8.370 nan 0.000 0.530 487 F N 3.335 123.274 119.950 -0.018 0.000 2.216 487 F HA -0.022 4.504 4.527 -0.001 0.000 0.300 487 F C 1.283 177.142 175.800 0.098 0.000 1.085 487 F CA 0.683 58.666 58.000 -0.028 0.000 1.326 487 F CB -0.642 38.276 39.000 -0.137 0.000 1.027 487 F HN 0.287 nan 8.300 nan 0.000 0.497 488 L N 1.006 121.810 121.223 -0.698 0.000 2.265 488 L HA -0.155 4.184 4.340 -0.001 0.000 0.215 488 L C 2.622 179.336 176.870 -0.260 0.000 1.117 488 L CA 1.346 55.839 54.840 -0.577 0.000 0.782 488 L CB -0.920 40.777 42.059 -0.604 0.000 0.914 488 L HN 0.478 nan 8.230 nan 0.000 0.441 489 S N -1.725 113.889 115.700 -0.144 0.000 2.522 489 S HA -0.043 4.427 4.470 -0.001 0.000 0.227 489 S C 1.349 175.942 174.600 -0.012 0.000 0.986 489 S CA 0.226 58.378 58.200 -0.079 0.000 0.929 489 S CB 0.190 63.361 63.200 -0.048 0.000 0.769 489 S HN 0.207 nan 8.310 nan 0.000 0.529 490 V N 1.519 121.471 119.914 0.064 0.000 3.177 490 V HA 0.457 4.576 4.120 -0.001 0.000 0.342 490 V C 0.028 176.268 176.094 0.242 0.000 1.379 490 V CA -0.648 61.736 62.300 0.141 0.000 1.191 490 V CB -0.600 31.310 31.823 0.145 0.000 1.167 490 V HN 0.461 nan 8.190 nan 0.000 0.471 491 I N 1.789 122.424 120.570 0.107 0.000 2.779 491 I HA 0.124 4.293 4.170 -0.001 0.000 0.285 491 I C 0.586 176.660 176.117 -0.071 0.000 1.134 491 I CA 0.134 61.383 61.300 -0.085 0.000 1.398 491 I CB 0.551 38.398 38.000 -0.256 0.000 1.404 491 I HN 0.255 nan 8.210 nan 0.000 0.587 492 N N 7.705 126.334 118.700 -0.117 0.000 2.408 492 N HA 0.187 4.926 4.740 -0.001 0.000 0.257 492 N C -1.671 173.792 175.510 -0.078 0.000 1.064 492 N CA -2.197 50.817 53.050 -0.060 0.000 0.952 492 N CB 1.119 39.579 38.487 -0.046 0.000 1.093 492 N HN 0.264 nan 8.380 nan 0.000 0.490 493 P HA -0.062 nan 4.420 nan 0.000 0.226 493 P C -0.217 177.056 177.300 -0.045 0.000 1.153 493 P CA 1.078 64.146 63.100 -0.053 0.000 0.777 493 P CB 0.455 32.132 31.700 -0.039 0.000 0.794 494 E N -0.110 120.066 120.200 -0.040 0.000 2.496 494 E HA 0.072 4.421 4.350 -0.001 0.000 0.202 494 E C 1.424 178.002 176.600 -0.036 0.000 1.021 494 E CA -0.049 56.329 56.400 -0.037 0.000 1.015 494 E CB 0.142 29.824 29.700 -0.029 0.000 1.102 494 E HN 0.294 nan 8.360 nan 0.000 0.452 495 S N 0.232 115.909 115.700 -0.039 0.000 2.423 495 S HA -0.083 4.386 4.470 -0.001 0.000 0.231 495 S C 0.695 175.313 174.600 0.030 0.000 1.014 495 S CA 0.261 58.454 58.200 -0.012 0.000 0.965 495 S CB 0.053 63.226 63.200 -0.045 0.000 0.785 495 S HN 0.197 nan 8.310 nan 0.000 0.495 496 L N 0.940 122.147 121.223 -0.026 0.000 2.410 496 L HA 0.787 5.126 4.340 -0.001 0.000 0.270 496 L C -1.250 175.543 176.870 -0.129 0.000 0.983 496 L CA -0.929 53.839 54.840 -0.120 0.000 0.822 496 L CB 2.278 44.291 42.059 -0.076 0.000 1.285 496 L HN 0.039 nan 8.230 nan 0.000 0.409 497 V N 6.847 126.656 119.914 -0.175 0.000 2.532 497 V HA 0.572 4.691 4.120 -0.001 0.000 0.294 497 V C -0.874 175.138 176.094 -0.136 0.000 1.036 497 V CA -0.319 61.911 62.300 -0.118 0.000 0.876 497 V CB 1.568 33.346 31.823 -0.076 0.000 1.012 497 V HN 0.707 nan 8.190 nan 0.000 0.432 498 I N 7.859 128.360 120.570 -0.115 0.000 2.325 498 I HA 0.510 4.679 4.170 -0.001 0.000 0.291 498 I C 0.156 176.225 176.117 -0.080 0.000 1.019 498 I CA -0.410 60.829 61.300 -0.103 0.000 1.302 498 I CB 1.002 38.943 38.000 -0.098 0.000 1.401 498 I HN 0.451 nan 8.210 nan 0.000 0.485 499 K N 5.426 125.783 120.400 -0.072 0.000 2.185 499 K HA 0.532 4.851 4.320 -0.001 0.000 0.240 499 K C -0.607 175.921 176.600 -0.120 0.000 0.983 499 K CA -0.909 55.327 56.287 -0.084 0.000 0.873 499 K CB 1.571 34.031 32.500 -0.067 0.000 1.118 499 K HN 0.362 nan 8.250 nan 0.000 0.441 500 Q N 0.461 120.155 119.800 -0.177 0.000 2.327 500 Q HA 0.563 4.902 4.340 -0.001 0.000 0.270 500 Q C -0.114 175.627 176.000 -0.432 0.000 1.022 500 Q CA -0.535 55.103 55.803 -0.275 0.000 0.773 500 Q CB 2.028 30.613 28.738 -0.255 0.000 1.251 500 Q HN 0.886 nan 8.270 nan 0.000 0.457 501 G N 0.873 109.338 108.800 -0.559 0.000 3.135 501 G HA2 0.803 4.762 3.960 -0.001 0.000 0.278 501 G HA3 0.803 4.762 3.960 -0.001 0.000 0.278 501 G C -1.493 172.729 174.900 -1.130 0.000 1.302 501 G CA -0.448 44.214 45.100 -0.729 0.000 0.880 501 G HN 0.284 nan 8.290 nan 0.000 0.574 502 F N -0.002 119.714 119.950 -0.390 0.000 2.561 502 F HA 0.746 5.272 4.527 -0.002 0.000 0.313 502 F C 0.434 176.021 175.800 -0.355 0.000 1.126 502 F CA -0.742 57.044 58.000 -0.358 0.000 0.918 502 F CB 2.467 41.196 39.000 -0.452 0.000 1.199 502 F HN 0.657 nan 8.300 nan 0.000 0.444 503 A N 1.774 124.482 122.820 -0.185 0.000 2.354 503 A HA 0.694 5.013 4.320 -0.001 0.000 0.321 503 A C -0.663 176.780 177.584 -0.235 0.000 1.125 503 A CA -0.863 50.950 52.037 -0.373 0.000 0.799 503 A CB 0.856 19.508 19.000 -0.580 0.000 1.293 503 A HN 0.814 nan 8.150 nan 0.000 0.452 504 E N 2.257 122.268 120.200 -0.315 0.000 2.413 504 E HA 0.124 4.473 4.350 -0.001 0.000 0.263 504 E C -1.737 174.771 176.600 -0.153 0.000 1.015 504 E CA -1.000 55.265 56.400 -0.224 0.000 0.916 504 E CB 0.410 29.933 29.700 -0.293 0.000 0.947 504 E HN 0.372 nan 8.360 nan 0.000 0.440 505 P HA -0.336 nan 4.420 nan 0.000 0.218 505 P C 1.438 178.719 177.300 -0.031 0.000 1.146 505 P CA 1.917 65.007 63.100 -0.017 0.000 0.820 505 P CB 0.027 31.746 31.700 0.033 0.000 0.778 506 S N -0.135 115.526 115.700 -0.065 0.000 2.400 506 S HA -0.135 4.334 4.470 -0.001 0.000 0.232 506 S C 1.940 176.509 174.600 -0.051 0.000 1.025 506 S CA 0.879 59.050 58.200 -0.048 0.000 0.993 506 S CB -1.370 61.794 63.200 -0.060 0.000 0.808 506 S HN -0.037 nan 8.310 nan 0.000 0.478 507 L N 1.598 122.749 121.223 -0.120 0.000 2.642 507 L HA 0.087 4.426 4.340 -0.001 0.000 0.236 507 L C 2.371 179.282 176.870 0.069 0.000 1.169 507 L CA 1.338 56.122 54.840 -0.093 0.000 0.851 507 L CB -1.546 40.403 42.059 -0.183 0.000 0.968 507 L HN 0.441 nan 8.230 nan 0.000 0.453 508 K N 0.691 121.121 120.400 0.050 0.000 2.103 508 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 508 K C 1.085 177.742 176.600 0.095 0.000 1.048 508 K CA 1.413 57.747 56.287 0.079 0.000 0.930 508 K CB -0.043 32.492 32.500 0.058 0.000 0.716 508 K HN 0.195 nan 8.250 nan 0.000 0.444 509 D N 0.495 120.954 120.400 0.097 0.000 2.358 509 D HA 0.143 4.782 4.640 -0.001 0.000 0.224 509 D C -0.307 176.092 176.300 0.165 0.000 1.123 509 D CA 0.217 54.285 54.000 0.113 0.000 0.833 509 D CB 0.185 41.044 40.800 0.099 0.000 0.946 509 D HN 0.314 nan 8.370 nan 0.000 0.505 510 A N 0.698 123.644 122.820 0.209 0.000 2.406 510 A HA 0.396 4.715 4.320 -0.001 0.000 0.243 510 A C 0.493 178.195 177.584 0.196 0.000 1.082 510 A CA -0.273 51.959 52.037 0.325 0.000 0.786 510 A CB 0.603 19.851 19.000 0.414 0.000 1.029 510 A HN 0.098 nan 8.150 nan 0.000 0.495 511 V N -1.889 118.138 119.914 0.187 0.000 2.914 511 V HA 0.852 4.972 4.120 -0.001 0.000 0.314 511 V C 0.212 176.332 176.094 0.045 0.000 1.084 511 V CA -0.584 61.767 62.300 0.085 0.000 0.963 511 V CB 1.228 33.092 31.823 0.068 0.000 1.025 511 V HN 1.737 nan 8.190 nan 0.000 0.432 512 A N 2.001 124.824 122.820 0.006 0.000 2.451 512 A HA 0.669 4.988 4.320 -0.001 0.000 0.266 512 A C 1.339 178.925 177.584 0.003 0.000 1.119 512 A CA 0.601 52.628 52.037 -0.016 0.000 0.786 512 A CB -0.446 18.537 19.000 -0.029 0.000 1.061 512 A HN 2.786 nan 8.150 nan 0.000 0.503 513 G N 1.429 110.231 108.800 0.003 0.000 2.296 513 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.188 513 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.188 513 G C 0.118 175.010 174.900 -0.012 0.000 1.000 513 G CA 0.216 45.326 45.100 0.016 0.000 0.672 513 G HN 1.028 nan 8.290 nan 0.000 0.483 514 K N 0.851 121.223 120.400 -0.047 0.000 2.292 514 K HA 0.817 5.136 4.320 -0.001 0.000 0.257 514 K C 0.119 176.573 176.600 -0.243 0.000 0.940 514 K CA 0.155 56.340 56.287 -0.169 0.000 0.811 514 K CB 1.639 34.001 32.500 -0.231 0.000 1.120 514 K HN 0.658 nan 8.250 nan 0.000 0.428 515 A N 3.663 126.318 122.820 -0.274 0.000 2.306 515 A HA 0.803 5.122 4.320 -0.001 0.000 0.330 515 A C -1.253 176.125 177.584 -0.344 0.000 1.146 515 A CA -0.567 51.370 52.037 -0.165 0.000 0.827 515 A CB 0.283 19.245 19.000 -0.063 0.000 1.178 515 A HN 0.631 nan 8.150 nan 0.000 0.490 516 F N -0.703 119.351 119.950 0.173 0.000 2.613 516 F HA 0.479 5.005 4.527 -0.002 0.000 0.314 516 F C 0.235 176.163 175.800 0.214 0.000 1.075 516 F CA -0.451 57.675 58.000 0.209 0.000 0.945 516 F CB 2.246 41.423 39.000 0.296 0.000 1.310 516 F HN 0.589 nan 8.300 nan 0.000 0.467 517 Q N 1.998 122.046 119.800 0.413 0.000 2.347 517 Q HA 0.356 4.695 4.340 -0.001 0.000 0.262 517 Q C -1.640 174.526 176.000 0.277 0.000 0.980 517 Q CA -0.635 55.275 55.803 0.178 0.000 0.867 517 Q CB 0.727 29.466 28.738 0.001 0.000 1.242 517 Q HN 0.452 nan 8.270 nan 0.000 0.453 518 F N 2.916 122.858 119.950 -0.012 0.000 2.438 518 F HA 0.161 4.687 4.527 -0.002 0.000 0.360 518 F C 0.728 176.368 175.800 -0.266 0.000 1.118 518 F CA -0.873 56.986 58.000 -0.235 0.000 1.164 518 F CB 0.428 39.104 39.000 -0.539 0.000 1.131 518 F HN 0.605 nan 8.300 nan 0.000 0.527 519 E N 3.914 124.043 120.200 -0.118 0.000 2.652 519 E HA -0.061 4.289 4.350 -0.001 0.000 0.255 519 E C 0.600 177.015 176.600 -0.308 0.000 0.952 519 E CA 0.676 56.965 56.400 -0.185 0.000 0.947 519 E CB 0.214 29.819 29.700 -0.157 0.000 0.912 519 E HN 0.573 nan 8.360 nan 0.000 0.489 520 R N 2.090 122.477 120.500 -0.189 0.000 3.989 520 R HA -0.215 4.124 4.340 -0.001 0.000 0.377 520 R C 0.071 176.295 176.300 -0.128 0.000 1.158 520 R CA 1.161 57.175 56.100 -0.143 0.000 1.035 520 R CB -1.206 29.048 30.300 -0.076 0.000 1.557 520 R HN 0.597 nan 8.270 nan 0.000 0.551 521 E N -0.749 119.390 120.200 -0.101 0.000 3.312 521 E HA 0.371 4.720 4.350 -0.001 0.000 0.178 521 E C 1.052 177.710 176.600 0.097 0.000 1.204 521 E CA 1.222 57.654 56.400 0.053 0.000 1.335 521 E CB 0.453 30.227 29.700 0.124 0.000 1.680 521 E HN 0.350 nan 8.360 nan 0.000 0.503 522 G N -0.368 108.533 108.800 0.168 0.000 2.364 522 G HA2 0.358 4.317 3.960 -0.001 0.000 0.286 522 G HA3 0.358 4.317 3.960 -0.001 0.000 0.286 522 G C -1.863 172.883 174.900 -0.256 0.000 1.241 522 G CA -0.851 44.156 45.100 -0.155 0.000 0.887 522 G HN 0.027 nan 8.290 nan 0.000 0.484 523 Y N -0.258 119.951 120.300 -0.152 0.000 2.330 523 Y HA 0.773 5.322 4.550 -0.002 0.000 0.336 523 Y C -0.344 175.311 175.900 -0.409 0.000 1.036 523 Y CA -0.479 57.555 58.100 -0.110 0.000 1.125 523 Y CB 1.627 40.011 38.460 -0.128 0.000 1.194 523 Y HN 0.359 nan 8.280 nan 0.000 0.469 524 F N 1.476 121.316 119.950 -0.185 0.000 2.603 524 F HA 0.749 5.275 4.527 -0.002 0.000 0.317 524 F C -0.242 175.579 175.800 0.036 0.000 1.066 524 F CA -1.472 56.403 58.000 -0.209 0.000 0.941 524 F CB 1.704 40.248 39.000 -0.759 0.000 1.291 524 F HN 0.638 nan 8.300 nan 0.000 0.472 525 C N 0.964 120.435 119.300 0.284 0.000 3.173 525 C HA 0.828 5.287 4.460 -0.001 0.000 0.310 525 C C -0.781 174.234 174.990 0.041 0.000 1.306 525 C CA -0.933 58.206 59.018 0.202 0.000 1.426 525 C CB 0.764 28.549 27.740 0.075 0.000 1.800 525 C HN 0.922 nan 8.230 nan 0.000 0.470 526 L N 1.819 122.955 121.223 -0.144 0.000 2.540 526 L HA 0.594 4.933 4.340 -0.001 0.000 0.215 526 L C 0.985 177.749 176.870 -0.176 0.000 1.204 526 L CA 2.374 56.971 54.840 -0.403 0.000 0.841 526 L CB 0.162 41.994 42.059 -0.379 0.000 1.420 526 L HN 1.238 nan 8.230 nan 0.000 0.519 527 D N -1.776 118.525 120.400 -0.166 0.000 4.626 527 D HA -0.272 4.367 4.640 -0.001 0.000 0.155 527 D C 0.530 176.795 176.300 -0.057 0.000 0.760 527 D CA 2.515 56.462 54.000 -0.088 0.000 1.697 527 D CB -1.351 39.404 40.800 -0.075 0.000 1.012 527 D HN 1.068 nan 8.370 nan 0.000 0.496 528 S N -1.011 114.658 115.700 -0.052 0.000 3.445 528 S HA -0.376 4.094 4.470 -0.001 0.000 0.319 528 S C 1.004 175.404 174.600 -0.333 0.000 1.209 528 S CA 2.501 60.674 58.200 -0.045 0.000 0.934 528 S CB -1.768 61.529 63.200 0.161 0.000 0.999 528 S HN 1.116 nan 8.310 nan 0.000 0.582 529 R N -0.469 119.861 120.500 -0.283 0.000 3.977 529 R HA -0.253 4.086 4.340 -0.001 0.000 0.428 529 R C 0.644 176.717 176.300 -0.378 0.000 1.079 529 R CA 2.312 58.201 56.100 -0.352 0.000 1.269 529 R CB -2.046 27.997 30.300 -0.428 0.000 1.856 529 R HN 0.831 nan 8.270 nan 0.000 0.551 530 H N -1.248 117.826 119.070 0.008 0.000 2.426 530 H HA 0.283 4.838 4.556 -0.001 0.000 0.286 530 H C 0.361 175.690 175.328 0.002 0.000 0.990 530 H CA 0.704 56.757 56.048 0.009 0.000 1.237 530 H CB -0.366 29.407 29.762 0.019 0.000 1.466 530 H HN 0.302 nan 8.280 nan 0.000 0.525 531 S N 3.059 118.824 115.700 0.109 0.000 3.225 531 S HA -0.018 4.451 4.470 -0.001 0.000 0.378 531 S C 0.890 175.514 174.600 0.040 0.000 1.190 531 S CA 0.238 58.468 58.200 0.051 0.000 1.104 531 S CB -0.491 62.692 63.200 -0.028 0.000 0.795 531 S HN 0.495 nan 8.310 nan 0.000 0.517 532 T N -0.302 114.282 114.554 0.049 0.000 2.849 532 T HA 0.719 5.068 4.350 -0.001 0.000 0.276 532 T C 1.385 176.110 174.700 0.041 0.000 0.971 532 T CA -0.568 61.556 62.100 0.041 0.000 0.949 532 T CB 1.040 69.932 68.868 0.040 0.000 1.093 532 T HN 0.726 nan 8.240 nan 0.000 0.545 533 A N -0.051 122.792 122.820 0.038 0.000 2.014 533 A HA 0.072 4.391 4.320 -0.001 0.000 0.218 533 A C 2.016 179.628 177.584 0.046 0.000 1.163 533 A CA 1.133 53.196 52.037 0.042 0.000 0.652 533 A CB -0.851 18.171 19.000 0.037 0.000 0.808 533 A HN 0.876 nan 8.150 nan 0.000 0.449 534 E N -0.485 119.740 120.200 0.041 0.000 2.057 534 E HA 0.073 4.422 4.350 -0.001 0.000 0.190 534 E C 0.804 177.430 176.600 0.043 0.000 0.969 534 E CA 1.042 57.466 56.400 0.040 0.000 0.812 534 E CB 0.064 29.782 29.700 0.031 0.000 0.777 534 E HN 0.303 nan 8.360 nan 0.000 0.455 535 K N 1.170 121.595 120.400 0.043 0.000 2.464 535 K HA 0.314 4.634 4.320 -0.001 0.000 0.252 535 K C -2.867 173.774 176.600 0.068 0.000 1.000 535 K CA -2.787 53.527 56.287 0.045 0.000 0.951 535 K CB 1.281 33.795 32.500 0.024 0.000 1.183 535 K HN -0.167 nan 8.250 nan 0.000 0.445 536 P HA 0.137 nan 4.420 nan 0.000 0.279 536 P C -1.083 176.332 177.300 0.191 0.000 1.239 536 P CA -0.527 62.658 63.100 0.143 0.000 0.789 536 P CB 1.161 33.032 31.700 0.285 0.000 0.933 537 V N 4.672 124.647 119.914 0.102 0.000 2.448 537 V HA 0.438 4.558 4.120 -0.001 0.000 0.295 537 V C -0.455 175.683 176.094 0.073 0.000 1.025 537 V CA -0.303 62.090 62.300 0.156 0.000 0.859 537 V CB 0.795 32.709 31.823 0.152 0.000 0.988 537 V HN 0.372 nan 8.190 nan 0.000 0.431 538 F N 2.857 122.898 119.950 0.152 0.000 2.495 538 F HA 0.543 5.069 4.527 -0.002 0.000 0.327 538 F C 0.440 176.388 175.800 0.246 0.000 1.103 538 F CA -0.713 57.410 58.000 0.206 0.000 0.949 538 F CB 1.827 40.971 39.000 0.240 0.000 1.142 538 F HN 0.370 nan 8.300 nan 0.000 0.457 539 N N 2.266 121.190 118.700 0.373 0.000 2.421 539 N HA 0.246 4.986 4.740 -0.001 0.000 0.285 539 N C -0.565 175.058 175.510 0.189 0.000 1.027 539 N CA -0.608 52.654 53.050 0.353 0.000 0.918 539 N CB 1.802 40.451 38.487 0.270 0.000 1.152 539 N HN 0.555 nan 8.380 nan 0.000 0.485 540 R N 1.633 122.162 120.500 0.049 0.000 2.220 540 R HA 0.152 4.491 4.340 -0.001 0.000 0.340 540 R C 0.415 176.571 176.300 -0.241 0.000 1.076 540 R CA -0.052 55.698 56.100 -0.584 0.000 0.920 540 R CB 0.211 30.156 30.300 -0.592 0.000 1.062 540 R HN 0.497 nan 8.270 nan 0.000 0.469 541 T N 2.046 116.433 114.554 -0.279 0.000 2.737 541 T HA -0.050 4.299 4.350 -0.001 0.000 0.265 541 T C 0.471 175.101 174.700 -0.116 0.000 1.038 541 T CA 1.038 63.052 62.100 -0.142 0.000 1.144 541 T CB 0.081 68.838 68.868 -0.185 0.000 0.866 541 T HN 0.400 nan 8.240 nan 0.000 0.434 542 V N -0.443 119.381 119.914 -0.149 0.000 3.108 542 V HA 0.635 4.754 4.120 -0.001 0.000 0.287 542 V C -0.702 175.356 176.094 -0.060 0.000 1.436 542 V CA -0.659 61.605 62.300 -0.060 0.000 1.001 542 V CB 1.703 33.508 31.823 -0.030 0.000 1.141 542 V HN 0.408 nan 8.190 nan 0.000 0.443 543 G N 3.500 112.276 108.800 -0.039 0.000 2.528 543 G HA2 0.578 4.537 3.960 -0.001 0.000 0.289 543 G HA3 0.578 4.537 3.960 -0.001 0.000 0.289 543 G C -0.779 174.125 174.900 0.007 0.000 1.192 543 G CA -0.624 44.453 45.100 -0.038 0.000 0.921 543 G HN 0.691 nan 8.290 nan 0.000 0.512 544 L N -0.294 120.913 121.223 -0.027 0.000 2.466 544 L HA 0.330 4.669 4.340 -0.001 0.000 0.257 544 L C 1.345 178.231 176.870 0.027 0.000 1.189 544 L CA -0.360 54.475 54.840 -0.009 0.000 0.813 544 L CB 0.858 42.881 42.059 -0.060 0.000 1.118 544 L HN 0.593 nan 8.230 nan 0.000 0.471 545 R N 1.603 122.129 120.500 0.043 0.000 2.404 545 R HA 0.097 4.436 4.340 -0.001 0.000 0.315 545 R C -1.126 175.191 176.300 0.029 0.000 1.032 545 R CA -0.064 56.060 56.100 0.041 0.000 0.992 545 R CB -0.039 30.290 30.300 0.048 0.000 0.959 545 R HN 0.515 nan 8.270 nan 0.000 0.428 546 D N 3.579 123.995 120.400 0.027 0.000 2.481 546 D HA 0.242 4.881 4.640 -0.001 0.000 0.246 546 D C -0.851 175.464 176.300 0.025 0.000 1.109 546 D CA -0.224 53.790 54.000 0.023 0.000 0.845 546 D CB 1.555 42.369 40.800 0.022 0.000 1.160 546 D HN 0.623 nan 8.370 nan 0.000 0.534 547 T N 0.000 114.568 114.554 0.024 0.000 3.816 547 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 547 T CA 0.000 62.115 62.100 0.025 0.000 1.349 547 T CB 0.000 68.883 68.868 0.025 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658