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 1x0c_1_B DATA FIRST_RESID 16 DATA SEQUENCE REFMAVTANN SQLLTWWHNT GEINTQTPVA DGNVRQSGLY SVKVQTTPAS DATA SEQUENCE SSLYYDSFVY LAIPGNGMSD QLQYTQGYNQ TQAWTSFLYS HDATVKISRN DATA SEQUENCE GSSANSNVVI RPTSLNFPVR YDNQSVYITV PYSPTGYRFS VEFDDDLISL DATA SEQUENCE APSGARQPEN ALLIFASPFE NSSTKPQPGS PNSIAPAPGR VLGLNTTSAS DATA SEQUENCE TVVFNPGVYY FTGHDHMVLS SSVTWVYFAP GAYVKGAVEF LSTASEVKAS DATA SEQUENCE GHGVLSGEQY VWYADPDEGY QKASGANNNG LRMWRGTLGN SSQTFVLNGV DATA SEQUENCE TVSAPPFNSM DWSGNSLDLI TCRVDDYKQV GAFYGQTDGL EMYPGTILQD DATA SEQUENCE VFYHTDDDGL KMYYSNVTAR NIVMWKESVA PVVEFGWTPR NTENVLFDNV DATA SEQUENCE DVIHQAYANA GNNPGIFGAV NNYLYAPDGL SSNHSTGNSN MTVRNITWSN DATA SEQUENCE FRAEGSSSAL FRINPIQNLD NISIKNVSIE SFEPLSINTT ESWMPVWYDL DATA SEQUENCE NNGKQITVTD FSIEGFTVGN TTITASNAAS VGRIDGVDPA YAGSVHYID 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 16 R HA 0.000 nan 4.340 nan 0.000 0.208 16 R C 0.000 176.169 176.300 -0.219 0.000 0.893 16 R CA 0.000 56.021 56.100 -0.132 0.000 0.921 16 R CB 0.000 30.255 30.300 -0.076 0.000 0.687 17 E N 1.038 121.136 120.200 -0.169 0.000 2.415 17 E HA 0.080 4.430 4.350 -0.000 0.000 0.262 17 E C -0.551 175.966 176.600 -0.138 0.000 1.038 17 E CA 0.124 56.406 56.400 -0.198 0.000 0.921 17 E CB 0.404 30.056 29.700 -0.081 0.000 0.950 17 E HN 0.200 nan 8.360 nan 0.000 0.438 18 F N 1.996 121.928 119.950 -0.029 0.000 2.563 18 F HA 0.028 4.554 4.527 -0.000 0.000 0.363 18 F C 0.844 176.610 175.800 -0.058 0.000 1.123 18 F CA 0.239 58.211 58.000 -0.047 0.000 1.307 18 F CB 0.393 39.364 39.000 -0.048 0.000 1.115 18 F HN 0.138 nan 8.300 nan 0.000 0.592 19 M N 2.196 121.871 119.600 0.126 0.000 2.470 19 M HA 0.385 4.865 4.480 -0.000 0.000 0.285 19 M C -0.539 175.658 176.300 -0.172 0.000 1.213 19 M CA -0.950 54.337 55.300 -0.021 0.000 0.901 19 M CB 1.907 34.498 32.600 -0.015 0.000 1.718 19 M HN 0.557 nan 8.290 nan 0.000 0.469 20 A N 1.506 124.080 122.820 -0.410 0.000 2.445 20 A HA 0.500 4.820 4.320 -0.000 0.000 0.242 20 A C -0.347 177.006 177.584 -0.384 0.000 1.075 20 A CA -0.351 51.262 52.037 -0.706 0.000 0.777 20 A CB 0.385 18.309 19.000 -1.794 0.000 1.013 20 A HN 0.709 nan 8.150 nan 0.000 0.493 21 V N 3.312 123.063 119.914 -0.272 0.000 2.407 21 V HA 0.629 4.749 4.120 -0.000 0.000 0.291 21 V C 0.184 176.331 176.094 0.088 0.000 1.018 21 V CA 0.323 62.584 62.300 -0.065 0.000 0.842 21 V CB 1.520 33.308 31.823 -0.059 0.000 0.996 21 V HN 1.282 nan 8.190 nan 0.000 0.426 22 T N 4.424 119.072 114.554 0.157 0.000 2.945 22 T HA 0.875 5.224 4.350 -0.000 0.000 0.286 22 T C 0.038 174.820 174.700 0.137 0.000 1.025 22 T CA -0.172 62.051 62.100 0.205 0.000 1.039 22 T CB 1.822 70.794 68.868 0.174 0.000 1.068 22 T HN 1.330 nan 8.240 nan 0.000 0.497 23 A N 1.765 124.489 122.820 -0.160 0.000 2.303 23 A HA 0.699 5.019 4.320 -0.000 0.000 0.317 23 A C 0.302 177.773 177.584 -0.189 0.000 1.149 23 A CA -0.792 50.875 52.037 -0.617 0.000 0.822 23 A CB 0.315 18.702 19.000 -1.021 0.000 1.131 23 A HN 0.843 nan 8.150 nan 0.000 0.493 24 N N 1.315 119.922 118.700 -0.155 0.000 2.732 24 N HA 0.083 4.823 4.740 -0.000 0.000 0.230 24 N C -1.288 174.217 175.510 -0.008 0.000 1.487 24 N CA -0.280 52.753 53.050 -0.029 0.000 0.765 24 N CB 0.287 38.783 38.487 0.015 0.000 1.384 24 N HN 0.943 nan 8.380 nan 0.000 0.530 25 N N -1.766 116.947 118.700 0.020 0.000 3.091 25 N HA 0.215 4.955 4.740 -0.000 0.000 0.329 25 N C 0.724 176.369 175.510 0.226 0.000 1.430 25 N CA -0.519 52.574 53.050 0.073 0.000 0.755 25 N CB 0.540 39.032 38.487 0.007 0.000 1.626 25 N HN -0.005 nan 8.380 nan 0.000 0.614 26 S N -1.154 114.645 115.700 0.165 0.000 2.474 26 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 26 S C 1.120 175.726 174.600 0.011 0.000 0.997 26 S CA 0.922 59.219 58.200 0.162 0.000 0.949 26 S CB -0.383 62.831 63.200 0.023 0.000 0.766 26 S HN 0.636 nan 8.310 nan 0.000 0.517 27 Q N -0.542 119.305 119.800 0.077 0.000 2.316 27 Q HA 0.511 4.850 4.340 -0.000 0.000 0.235 27 Q C -0.676 175.479 176.000 0.258 0.000 0.863 27 Q CA -0.090 55.710 55.803 -0.005 0.000 0.939 27 Q CB 0.775 29.483 28.738 -0.049 0.000 1.108 27 Q HN 0.470 nan 8.270 nan 0.000 0.522 28 L N 0.605 122.052 121.223 0.373 0.000 2.505 28 L HA 0.544 4.884 4.340 -0.000 0.000 0.259 28 L C -2.267 174.732 176.870 0.215 0.000 0.952 28 L CA -0.925 54.121 54.840 0.343 0.000 0.840 28 L CB 2.305 44.424 42.059 0.100 0.000 1.358 28 L HN -0.035 nan 8.230 nan 0.000 0.409 29 L N 3.930 125.292 121.223 0.233 0.000 2.441 29 L HA 0.871 5.210 4.340 -0.000 0.000 0.270 29 L C -0.743 176.286 176.870 0.266 0.000 0.973 29 L CA 0.408 55.349 54.840 0.167 0.000 0.842 29 L CB 1.952 44.047 42.059 0.060 0.000 1.239 29 L HN 0.861 nan 8.230 nan 0.000 0.406 30 T N 0.341 115.005 114.554 0.183 0.000 2.907 30 T HA 0.881 5.231 4.350 -0.000 0.000 0.290 30 T C -0.910 173.965 174.700 0.293 0.000 1.066 30 T CA -0.573 61.536 62.100 0.016 0.000 1.012 30 T CB 1.543 70.384 68.868 -0.045 0.000 1.184 30 T HN 0.749 nan 8.240 nan 0.000 0.522 31 W N -1.053 120.369 121.300 0.205 0.000 3.018 31 W HA 0.843 5.503 4.660 -0.000 0.000 0.352 31 W C -1.812 174.869 176.519 0.271 0.000 1.230 31 W CA -1.334 56.111 57.345 0.167 0.000 1.162 31 W CB 0.941 30.446 29.460 0.074 0.000 1.483 31 W HN 0.856 nan 8.180 nan 0.000 0.584 32 W N 0.557 121.917 121.300 0.100 0.000 3.047 32 W HA 0.455 5.115 4.660 -0.000 0.000 0.341 32 W C -1.374 174.909 176.519 -0.392 0.000 1.225 32 W CA -0.822 56.508 57.345 -0.025 0.000 1.150 32 W CB 2.196 31.710 29.460 0.090 0.000 1.470 32 W HN 0.384 nan 8.180 nan 0.000 0.578 33 H N 3.004 121.787 119.070 -0.479 0.000 2.924 33 H HA 0.149 4.705 4.556 -0.000 0.000 0.333 33 H C 0.540 175.765 175.328 -0.172 0.000 0.979 33 H CA -0.428 55.355 56.048 -0.441 0.000 1.326 33 H CB 1.561 30.729 29.762 -0.989 0.000 1.600 33 H HN 0.351 nan 8.280 nan 0.000 0.520 34 N N 1.021 119.826 118.700 0.175 0.000 2.459 34 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 34 N C 1.194 176.777 175.510 0.122 0.000 1.046 34 N CA 0.863 54.047 53.050 0.223 0.000 0.904 34 N CB 0.278 38.880 38.487 0.191 0.000 0.964 34 N HN 0.571 nan 8.380 nan 0.000 0.444 35 T N -2.350 112.233 114.554 0.048 0.000 3.251 35 T HA 0.330 4.679 4.350 -0.000 0.000 0.259 35 T C 0.838 175.519 174.700 -0.033 0.000 0.998 35 T CA -0.764 61.337 62.100 0.003 0.000 0.905 35 T CB -0.142 68.710 68.868 -0.027 0.000 1.067 35 T HN 0.012 nan 8.240 nan 0.000 0.569 36 G N 0.762 109.571 108.800 0.015 0.000 2.432 36 G HA2 0.394 4.354 3.960 -0.000 0.000 0.239 36 G HA3 0.394 4.354 3.960 -0.000 0.000 0.239 36 G C -0.725 174.179 174.900 0.006 0.000 1.291 36 G CA -0.476 44.665 45.100 0.068 0.000 0.863 36 G HN 0.559 nan 8.290 nan 0.000 0.560 37 E N 1.391 121.575 120.200 -0.027 0.000 2.246 37 E HA 0.260 4.609 4.350 -0.000 0.000 0.266 37 E C -0.544 176.018 176.600 -0.063 0.000 0.880 37 E CA -0.907 55.467 56.400 -0.043 0.000 0.762 37 E CB 1.231 30.902 29.700 -0.047 0.000 1.180 37 E HN 0.193 nan 8.360 nan 0.000 0.416 38 I N 4.320 124.852 120.570 -0.062 0.000 2.363 38 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 38 I C -0.071 176.011 176.117 -0.059 0.000 1.075 38 I CA -0.010 61.245 61.300 -0.076 0.000 1.333 38 I CB -0.044 37.912 38.000 -0.073 0.000 1.415 38 I HN 0.461 nan 8.210 nan 0.000 0.502 39 N N 4.544 123.209 118.700 -0.058 0.000 2.537 39 N HA 0.185 4.925 4.740 -0.000 0.000 0.281 39 N C -0.005 175.480 175.510 -0.043 0.000 1.097 39 N CA -0.212 52.811 53.050 -0.044 0.000 0.964 39 N CB 1.798 40.264 38.487 -0.035 0.000 1.588 39 N HN 0.566 nan 8.380 nan 0.000 0.511 40 T N -0.252 114.276 114.554 -0.044 0.000 3.145 40 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 40 T C 0.588 175.262 174.700 -0.044 0.000 1.003 40 T CA 0.074 62.145 62.100 -0.047 0.000 0.901 40 T CB 0.283 69.117 68.868 -0.058 0.000 1.112 40 T HN 0.525 nan 8.240 nan 0.000 0.535 41 Q N 0.858 120.638 119.800 -0.034 0.000 2.237 41 Q HA 0.218 4.557 4.340 -0.000 0.000 0.254 41 Q C 0.474 176.465 176.000 -0.016 0.000 0.771 41 Q CA 0.352 56.138 55.803 -0.029 0.000 0.958 41 Q CB 1.498 30.219 28.738 -0.028 0.000 1.202 41 Q HN 0.621 nan 8.270 nan 0.000 0.492 42 T N -1.429 113.118 114.554 -0.012 0.000 2.888 42 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 42 T C -2.919 171.782 174.700 0.002 0.000 1.063 42 T CA -2.358 59.740 62.100 -0.002 0.000 1.010 42 T CB 1.901 70.765 68.868 -0.006 0.000 1.214 42 T HN -0.313 nan 8.240 nan 0.000 0.533 43 P HA 0.319 nan 4.420 nan 0.000 0.271 43 P C 0.002 177.293 177.300 -0.015 0.000 1.218 43 P CA -0.622 62.482 63.100 0.006 0.000 0.780 43 P CB 0.426 32.131 31.700 0.008 0.000 0.901 44 V N -0.085 119.816 119.914 -0.021 0.000 3.214 44 V HA 0.670 4.790 4.120 -0.000 0.000 0.306 44 V C 0.417 176.471 176.094 -0.067 0.000 1.078 44 V CA -1.091 61.183 62.300 -0.043 0.000 1.077 44 V CB -0.044 31.748 31.823 -0.051 0.000 1.121 44 V HN 0.634 nan 8.190 nan 0.000 0.468 45 A N 0.993 123.767 122.820 -0.077 0.000 2.448 45 A HA 0.192 4.512 4.320 -0.000 0.000 0.239 45 A C 1.112 178.597 177.584 -0.165 0.000 1.080 45 A CA 0.334 52.309 52.037 -0.105 0.000 0.779 45 A CB -0.324 18.627 19.000 -0.081 0.000 1.026 45 A HN 1.010 nan 8.150 nan 0.000 0.499 46 D N 1.604 121.839 120.400 -0.276 0.000 2.133 46 D HA -0.144 4.496 4.640 -0.000 0.000 0.192 46 D C 1.808 177.889 176.300 -0.364 0.000 1.001 46 D CA 2.231 55.892 54.000 -0.565 0.000 0.844 46 D CB -0.386 39.781 40.800 -1.055 0.000 0.944 46 D HN 0.692 nan 8.370 nan 0.000 0.447 47 G N -0.354 108.357 108.800 -0.148 0.000 3.181 47 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.219 47 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.219 47 G C 0.478 175.353 174.900 -0.041 0.000 1.182 47 G CA -0.224 44.891 45.100 0.026 0.000 0.791 47 G HN 0.088 nan 8.290 nan 0.000 0.537 48 N N -0.492 118.155 118.700 -0.089 0.000 2.477 48 N HA 0.593 5.333 4.740 -0.000 0.000 0.284 48 N C -0.828 174.553 175.510 -0.215 0.000 1.182 48 N CA -0.467 52.510 53.050 -0.122 0.000 0.949 48 N CB 2.160 40.593 38.487 -0.090 0.000 1.204 48 N HN -0.178 nan 8.380 nan 0.000 0.526 49 V N 0.884 120.630 119.914 -0.280 0.000 2.443 49 V HA 0.357 4.476 4.120 -0.000 0.000 0.293 49 V C 0.342 176.323 176.094 -0.189 0.000 1.021 49 V CA -0.871 61.151 62.300 -0.464 0.000 0.848 49 V CB 1.413 32.743 31.823 -0.822 0.000 0.998 49 V HN 0.529 nan 8.190 nan 0.000 0.424 50 R N 3.587 124.005 120.500 -0.136 0.000 2.480 50 R HA 0.122 4.462 4.340 -0.000 0.000 0.303 50 R C -0.123 176.146 176.300 -0.051 0.000 0.985 50 R CA 0.318 56.386 56.100 -0.052 0.000 1.051 50 R CB 0.407 30.709 30.300 0.004 0.000 0.935 50 R HN 0.827 nan 8.270 nan 0.000 0.410 51 Q N 2.742 122.464 119.800 -0.131 0.000 2.365 51 Q HA 0.182 4.522 4.340 -0.000 0.000 0.269 51 Q C -1.086 174.726 176.000 -0.313 0.000 1.061 51 Q CA -0.558 55.026 55.803 -0.365 0.000 0.816 51 Q CB 2.019 30.460 28.738 -0.495 0.000 1.325 51 Q HN 0.618 nan 8.270 nan 0.000 0.446 52 S N 1.698 117.179 115.700 -0.364 0.000 2.533 52 S HA 0.248 4.718 4.470 -0.000 0.000 0.282 52 S C 0.797 175.258 174.600 -0.231 0.000 1.304 52 S CA 0.473 58.536 58.200 -0.228 0.000 1.063 52 S CB 0.431 63.539 63.200 -0.152 0.000 0.881 52 S HN 0.795 nan 8.310 nan 0.000 0.493 53 G N 3.534 112.221 108.800 -0.188 0.000 3.126 53 G HA2 0.160 4.120 3.960 -0.000 0.000 0.224 53 G HA3 0.160 4.120 3.960 -0.000 0.000 0.224 53 G C 0.835 175.607 174.900 -0.213 0.000 1.142 53 G CA 0.054 45.048 45.100 -0.177 0.000 0.759 53 G HN 0.636 nan 8.290 nan 0.000 0.550 54 L N -0.889 120.163 121.223 -0.286 0.000 2.269 54 L HA 0.518 4.858 4.340 -0.000 0.000 0.200 54 L C -0.128 176.422 176.870 -0.532 0.000 1.069 54 L CA 0.304 54.861 54.840 -0.473 0.000 0.804 54 L CB -0.036 41.607 42.059 -0.693 0.000 0.987 54 L HN 0.092 nan 8.230 nan 0.000 0.468 55 Y N 0.189 120.384 120.300 -0.176 0.000 2.360 55 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 55 Y C 0.293 176.092 175.900 -0.168 0.000 1.039 55 Y CA -0.769 57.233 58.100 -0.164 0.000 1.109 55 Y CB 1.414 39.795 38.460 -0.132 0.000 1.201 55 Y HN 0.111 nan 8.280 nan 0.000 0.458 56 S N 1.339 117.056 115.700 0.029 0.000 2.526 56 S HA 0.904 5.374 4.470 -0.000 0.000 0.293 56 S C -1.395 173.197 174.600 -0.013 0.000 1.092 56 S CA -0.750 57.436 58.200 -0.024 0.000 0.980 56 S CB 1.600 64.776 63.200 -0.039 0.000 1.048 56 S HN 0.360 nan 8.310 nan 0.000 0.483 57 V N 2.438 122.340 119.914 -0.019 0.000 2.709 57 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 57 V C -0.525 175.564 176.094 -0.008 0.000 1.062 57 V CA -0.701 61.584 62.300 -0.024 0.000 0.901 57 V CB 2.016 33.818 31.823 -0.034 0.000 1.003 57 V HN 0.972 nan 8.190 nan 0.000 0.425 58 K N 2.366 122.762 120.400 -0.006 0.000 2.435 58 K HA 0.889 5.209 4.320 -0.000 0.000 0.251 58 K C -1.726 174.947 176.600 0.122 0.000 0.954 58 K CA -0.822 55.505 56.287 0.066 0.000 0.820 58 K CB 2.862 35.418 32.500 0.093 0.000 1.292 58 K HN 0.406 nan 8.250 nan 0.000 0.436 59 V N 1.416 121.368 119.914 0.063 0.000 2.789 59 V HA 0.378 4.498 4.120 -0.000 0.000 0.311 59 V C -0.965 175.015 176.094 -0.190 0.000 1.073 59 V CA -0.863 61.362 62.300 -0.125 0.000 0.921 59 V CB 1.834 33.352 31.823 -0.508 0.000 1.009 59 V HN 0.737 nan 8.190 nan 0.000 0.426 60 Q N 1.706 121.258 119.800 -0.412 0.000 2.274 60 Q HA 0.434 4.774 4.340 -0.000 0.000 0.268 60 Q C -0.907 174.968 176.000 -0.208 0.000 1.015 60 Q CA -0.463 55.043 55.803 -0.496 0.000 0.775 60 Q CB 2.210 30.162 28.738 -1.311 0.000 1.256 60 Q HN 0.806 nan 8.270 nan 0.000 0.442 61 T N 3.134 117.656 114.554 -0.054 0.000 2.916 61 T HA 0.117 4.467 4.350 -0.000 0.000 0.303 61 T C 0.404 175.141 174.700 0.062 0.000 1.025 61 T CA 0.219 62.359 62.100 0.067 0.000 1.142 61 T CB 0.555 69.469 68.868 0.077 0.000 0.947 61 T HN 0.716 nan 8.240 nan 0.000 0.544 62 T N 2.194 116.851 114.554 0.173 0.000 2.813 62 T HA 0.362 4.712 4.350 -0.000 0.000 0.297 62 T C -2.308 172.488 174.700 0.160 0.000 1.036 62 T CA -1.630 60.556 62.100 0.144 0.000 1.044 62 T CB 0.253 69.204 68.868 0.139 0.000 0.993 62 T HN 0.332 nan 8.240 nan 0.000 0.535 63 P HA 0.303 nan 4.420 nan 0.000 0.271 63 P C -0.270 177.045 177.300 0.026 0.000 1.218 63 P CA -0.459 62.676 63.100 0.059 0.000 0.780 63 P CB 0.298 32.021 31.700 0.039 0.000 0.901 64 A N 2.643 125.475 122.820 0.021 0.000 2.483 64 A HA 0.464 4.784 4.320 -0.000 0.000 0.238 64 A C 0.720 178.312 177.584 0.013 0.000 1.070 64 A CA 0.679 52.725 52.037 0.015 0.000 0.770 64 A CB -0.588 18.426 19.000 0.024 0.000 1.008 64 A HN 0.794 nan 8.150 nan 0.000 0.497 65 S N -0.682 115.031 115.700 0.022 0.000 2.694 65 S HA 0.422 4.892 4.470 -0.000 0.000 0.273 65 S C 0.584 175.210 174.600 0.043 0.000 1.180 65 S CA 0.158 58.370 58.200 0.021 0.000 0.864 65 S CB 0.305 63.509 63.200 0.007 0.000 1.198 65 S HN 1.728 nan 8.310 nan 0.000 0.499 66 S N 0.719 116.436 115.700 0.029 0.000 2.607 66 S HA 0.161 4.631 4.470 -0.000 0.000 0.224 66 S C 1.069 175.687 174.600 0.031 0.000 0.969 66 S CA 0.387 58.607 58.200 0.033 0.000 0.927 66 S CB -1.203 62.007 63.200 0.016 0.000 0.772 66 S HN 1.449 nan 8.310 nan 0.000 0.533 67 S N 1.505 117.214 115.700 0.016 0.000 2.592 67 S HA 0.290 4.760 4.470 -0.000 0.000 0.256 67 S C 0.015 174.601 174.600 -0.022 0.000 1.369 67 S CA -0.829 57.367 58.200 -0.008 0.000 0.984 67 S CB -0.010 63.181 63.200 -0.015 0.000 0.919 67 S HN 0.381 nan 8.310 nan 0.000 0.576 68 L N 1.058 122.218 121.223 -0.104 0.000 2.417 68 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 68 L C -0.899 175.784 176.870 -0.312 0.000 1.158 68 L CA -0.142 54.568 54.840 -0.218 0.000 0.819 68 L CB 0.018 41.831 42.059 -0.409 0.000 1.112 68 L HN 0.684 nan 8.230 nan 0.000 0.458 69 Y N 3.414 123.519 120.300 -0.325 0.000 2.342 69 Y HA 0.403 4.953 4.550 -0.000 0.000 0.334 69 Y C -0.748 174.930 175.900 -0.370 0.000 1.067 69 Y CA 0.149 58.117 58.100 -0.220 0.000 1.128 69 Y CB 1.057 39.452 38.460 -0.108 0.000 1.200 69 Y HN 0.431 nan 8.280 nan 0.000 0.464 70 Y N 2.108 122.418 120.300 0.015 0.000 2.342 70 Y HA 0.210 4.760 4.550 -0.000 0.000 0.334 70 Y C 0.280 176.153 175.900 -0.044 0.000 1.067 70 Y CA -1.065 57.017 58.100 -0.030 0.000 1.128 70 Y CB 0.721 39.153 38.460 -0.047 0.000 1.200 70 Y HN 0.520 nan 8.280 nan 0.000 0.464 71 D N 1.360 121.785 120.400 0.042 0.000 2.414 71 D HA 0.046 4.686 4.640 -0.000 0.000 0.242 71 D C -0.486 175.884 176.300 0.117 0.000 1.129 71 D CA 0.425 54.417 54.000 -0.014 0.000 0.885 71 D CB 1.477 42.072 40.800 -0.343 0.000 1.198 71 D HN 0.353 nan 8.370 nan 0.000 0.437 72 S N 2.226 118.019 115.700 0.155 0.000 2.659 72 S HA 0.251 4.721 4.470 -0.000 0.000 0.312 72 S C -0.642 174.016 174.600 0.098 0.000 1.114 72 S CA -0.775 57.455 58.200 0.051 0.000 1.063 72 S CB 0.273 63.428 63.200 -0.075 0.000 0.996 72 S HN 0.302 nan 8.310 nan 0.000 0.478 73 F N 5.244 125.101 119.950 -0.154 0.000 2.608 73 F HA 0.277 4.804 4.527 -0.000 0.000 0.380 73 F C -0.087 175.322 175.800 -0.652 0.000 1.083 73 F CA 0.471 58.137 58.000 -0.557 0.000 1.266 73 F CB 0.569 39.128 39.000 -0.736 0.000 1.076 73 F HN 0.298 nan 8.300 nan 0.000 0.574 74 V N 8.054 127.305 119.914 -1.105 0.000 2.311 74 V HA 0.160 4.279 4.120 -0.000 0.000 0.275 74 V C -0.461 175.046 176.094 -0.979 0.000 1.022 74 V CA -0.720 61.105 62.300 -0.792 0.000 0.830 74 V CB -0.009 31.532 31.823 -0.470 0.000 1.012 74 V HN 0.544 nan 8.190 nan 0.000 0.452 75 Y N 4.670 124.539 120.300 -0.718 0.000 2.314 75 Y HA 0.552 5.101 4.550 -0.000 0.000 0.334 75 Y C 0.096 175.614 175.900 -0.637 0.000 1.266 75 Y CA -0.515 57.116 58.100 -0.781 0.000 1.391 75 Y CB 0.803 38.285 38.460 -1.630 0.000 1.306 75 Y HN 0.499 nan 8.280 nan 0.000 0.558 76 L N 1.639 122.767 121.223 -0.159 0.000 2.436 76 L HA 0.838 5.178 4.340 -0.000 0.000 0.268 76 L C -1.201 175.814 176.870 0.242 0.000 0.974 76 L CA -0.708 54.162 54.840 0.049 0.000 0.826 76 L CB 1.610 43.660 42.059 -0.014 0.000 1.291 76 L HN 0.654 nan 8.230 nan 0.000 0.406 77 A N 6.009 129.065 122.820 0.392 0.000 2.355 77 A HA 0.879 5.199 4.320 -0.000 0.000 0.317 77 A C -0.885 176.897 177.584 0.330 0.000 1.094 77 A CA -0.544 51.742 52.037 0.415 0.000 0.764 77 A CB 1.004 20.309 19.000 0.508 0.000 1.230 77 A HN 0.874 nan 8.150 nan 0.000 0.448 78 I N -0.273 120.407 120.570 0.182 0.000 2.785 78 I HA 0.688 4.858 4.170 -0.000 0.000 0.302 78 I C -2.728 173.226 176.117 -0.272 0.000 1.069 78 I CA -2.984 58.251 61.300 -0.109 0.000 1.045 78 I CB 2.642 40.584 38.000 -0.096 0.000 1.236 78 I HN 0.342 nan 8.210 nan 0.000 0.429 79 P HA 0.071 nan 4.420 nan 0.000 0.265 79 P C 0.796 177.952 177.300 -0.240 0.000 1.193 79 P CA 1.141 63.891 63.100 -0.584 0.000 0.765 79 P CB 0.895 32.194 31.700 -0.669 0.000 0.823 80 G N 3.470 112.141 108.800 -0.215 0.000 2.184 80 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 80 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 80 G C 0.579 175.536 174.900 0.094 0.000 0.975 80 G CA 0.212 45.321 45.100 0.015 0.000 0.642 80 G HN 0.591 nan 8.290 nan 0.000 0.536 81 N N -1.183 117.539 118.700 0.036 0.000 2.708 81 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 81 N C 1.716 177.272 175.510 0.076 0.000 1.097 81 N CA 2.615 55.721 53.050 0.094 0.000 0.710 81 N CB -1.459 37.126 38.487 0.163 0.000 1.032 81 N HN 2.323 nan 8.380 nan 0.000 0.551 82 G N -1.298 107.526 108.800 0.040 0.000 2.176 82 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.253 82 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.253 82 G C 0.073 175.001 174.900 0.046 0.000 0.979 82 G CA 0.457 45.575 45.100 0.029 0.000 0.641 82 G HN 0.403 nan 8.290 nan 0.000 0.530 83 M N 2.430 122.080 119.600 0.083 0.000 2.289 83 M HA 0.329 4.809 4.480 -0.000 0.000 0.354 83 M C 1.777 178.131 176.300 0.090 0.000 1.210 83 M CA 0.228 55.589 55.300 0.102 0.000 1.174 83 M CB 1.182 33.881 32.600 0.166 0.000 1.297 83 M HN 0.354 nan 8.290 nan 0.000 0.423 84 S N 0.664 116.391 115.700 0.046 0.000 2.407 84 S HA -0.219 4.251 4.470 -0.000 0.000 0.235 84 S C 1.221 175.831 174.600 0.016 0.000 1.036 84 S CA 1.954 60.165 58.200 0.019 0.000 1.013 84 S CB -0.501 62.701 63.200 0.003 0.000 0.820 84 S HN 0.786 nan 8.310 nan 0.000 0.476 85 D N 0.454 120.877 120.400 0.038 0.000 2.363 85 D HA -0.030 4.610 4.640 -0.000 0.000 0.226 85 D C 1.518 177.831 176.300 0.021 0.000 1.020 85 D CA 0.345 54.357 54.000 0.020 0.000 0.892 85 D CB -0.334 40.495 40.800 0.049 0.000 0.900 85 D HN 0.404 nan 8.370 nan 0.000 0.531 86 Q N -0.272 119.591 119.800 0.105 0.000 2.317 86 Q HA 0.240 4.580 4.340 -0.000 0.000 0.220 86 Q C 2.163 178.252 176.000 0.150 0.000 0.873 86 Q CA -0.096 55.858 55.803 0.251 0.000 0.936 86 Q CB 0.539 29.589 28.738 0.519 0.000 1.105 86 Q HN 0.380 nan 8.270 nan 0.000 0.520 87 L N 1.480 122.714 121.223 0.018 0.000 2.187 87 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 87 L C 2.458 179.246 176.870 -0.137 0.000 1.100 87 L CA 1.398 56.216 54.840 -0.036 0.000 0.765 87 L CB -0.444 41.578 42.059 -0.063 0.000 0.904 87 L HN 0.327 nan 8.230 nan 0.000 0.437 88 Q N -0.561 119.053 119.800 -0.310 0.000 2.364 88 Q HA -0.207 4.133 4.340 -0.000 0.000 0.209 88 Q C 1.199 176.926 176.000 -0.456 0.000 0.977 88 Q CA 1.616 57.165 55.803 -0.423 0.000 0.885 88 Q CB -0.409 27.981 28.738 -0.580 0.000 0.941 88 Q HN 0.577 nan 8.270 nan 0.000 0.464 89 Y N 1.696 121.915 120.300 -0.134 0.000 2.468 89 Y HA 0.166 4.716 4.550 -0.000 0.000 0.268 89 Y C 1.095 176.843 175.900 -0.253 0.000 1.177 89 Y CA -0.157 57.690 58.100 -0.422 0.000 1.265 89 Y CB 0.640 38.619 38.460 -0.802 0.000 1.103 89 Y HN 0.193 nan 8.280 nan 0.000 0.522 90 T N -3.417 111.140 114.554 0.006 0.000 2.889 90 T HA 0.151 4.500 4.350 -0.000 0.000 0.278 90 T C 0.895 175.548 174.700 -0.077 0.000 0.995 90 T CA -0.765 61.342 62.100 0.012 0.000 0.966 90 T CB 1.247 70.117 68.868 0.005 0.000 1.237 90 T HN -0.114 nan 8.240 nan 0.000 0.591 91 Q N -0.175 119.559 119.800 -0.109 0.000 2.472 91 Q HA 0.189 4.529 4.340 -0.000 0.000 0.208 91 Q C 1.573 177.309 176.000 -0.440 0.000 0.958 91 Q CA 1.057 56.695 55.803 -0.275 0.000 0.932 91 Q CB -0.206 28.324 28.738 -0.346 0.000 1.007 91 Q HN 1.220 nan 8.270 nan 0.000 0.508 92 G N 0.091 108.725 108.800 -0.277 0.000 2.132 92 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.234 92 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.234 92 G C -0.198 174.627 174.900 -0.125 0.000 0.989 92 G CA -0.109 44.866 45.100 -0.209 0.000 0.676 92 G HN 0.374 nan 8.290 nan 0.000 0.522 93 Y N 0.112 120.406 120.300 -0.010 0.000 2.354 93 Y HA 0.368 4.918 4.550 -0.000 0.000 0.322 93 Y C 1.530 177.389 175.900 -0.069 0.000 1.253 93 Y CA -0.504 57.590 58.100 -0.009 0.000 1.272 93 Y CB 0.871 39.356 38.460 0.042 0.000 1.255 93 Y HN 0.194 nan 8.280 nan 0.000 0.500 94 N N -0.453 118.321 118.700 0.124 0.000 2.314 94 N HA -0.001 4.739 4.740 -0.000 0.000 0.200 94 N C -0.535 174.948 175.510 -0.045 0.000 1.135 94 N CA -0.058 52.989 53.050 -0.004 0.000 0.835 94 N CB -0.035 38.452 38.487 0.001 0.000 0.989 94 N HN 0.594 nan 8.380 nan 0.000 0.478 95 Q N 0.391 120.190 119.800 -0.002 0.000 2.395 95 Q HA 0.175 4.515 4.340 -0.000 0.000 0.271 95 Q C 0.055 175.983 176.000 -0.119 0.000 1.026 95 Q CA 0.428 56.235 55.803 0.007 0.000 0.900 95 Q CB 0.621 29.437 28.738 0.130 0.000 1.266 95 Q HN 0.503 nan 8.270 nan 0.000 0.430 96 T N -0.887 113.660 114.554 -0.011 0.000 2.916 96 T HA 0.499 4.849 4.350 -0.000 0.000 0.292 96 T C -0.848 173.949 174.700 0.162 0.000 1.064 96 T CA -0.994 61.122 62.100 0.027 0.000 1.011 96 T CB 1.890 70.760 68.868 0.003 0.000 1.152 96 T HN 0.555 nan 8.240 nan 0.000 0.510 97 Q N 0.314 120.258 119.800 0.240 0.000 2.303 97 Q HA 0.633 4.973 4.340 -0.000 0.000 0.267 97 Q C -1.293 174.850 176.000 0.238 0.000 1.011 97 Q CA -0.793 55.075 55.803 0.109 0.000 0.740 97 Q CB 1.604 30.265 28.738 -0.128 0.000 1.250 97 Q HN 1.074 nan 8.270 nan 0.000 0.458 98 A N 3.374 126.303 122.820 0.181 0.000 2.311 98 A HA 0.894 5.214 4.320 -0.000 0.000 0.334 98 A C -1.522 176.174 177.584 0.187 0.000 1.139 98 A CA -0.439 51.702 52.037 0.173 0.000 0.830 98 A CB 0.611 19.675 19.000 0.107 0.000 1.234 98 A HN 0.814 nan 8.150 nan 0.000 0.483 99 W N -0.431 120.802 121.300 -0.111 0.000 3.066 99 W HA 0.681 5.341 4.660 -0.000 0.000 0.330 99 W C -1.209 175.248 176.519 -0.102 0.000 1.253 99 W CA -0.219 56.958 57.345 -0.281 0.000 1.187 99 W CB 0.855 30.039 29.460 -0.461 0.000 1.434 99 W HN 0.825 nan 8.180 nan 0.000 0.572 100 T N 1.520 116.004 114.554 -0.116 0.000 2.916 100 T HA 0.703 5.053 4.350 -0.000 0.000 0.305 100 T C -1.469 173.294 174.700 0.105 0.000 1.119 100 T CA -0.387 61.685 62.100 -0.046 0.000 1.008 100 T CB 1.562 70.360 68.868 -0.116 0.000 1.129 100 T HN 0.576 nan 8.240 nan 0.000 0.480 101 S N 2.390 118.222 115.700 0.221 0.000 2.542 101 S HA 0.926 5.396 4.470 -0.000 0.000 0.293 101 S C -1.469 173.078 174.600 -0.089 0.000 1.089 101 S CA -0.667 57.692 58.200 0.265 0.000 0.961 101 S CB 0.962 64.602 63.200 0.734 0.000 1.062 101 S HN 0.686 nan 8.310 nan 0.000 0.483 102 F N 0.100 120.026 119.950 -0.041 0.000 2.678 102 F HA 0.715 5.242 4.527 -0.000 0.000 0.308 102 F C -2.031 173.870 175.800 0.168 0.000 1.118 102 F CA -1.333 56.583 58.000 -0.140 0.000 0.959 102 F CB 0.645 39.532 39.000 -0.189 0.000 1.305 102 F HN 0.343 nan 8.300 nan 0.000 0.443 103 L N 3.541 125.061 121.223 0.495 0.000 2.334 103 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 103 L C -0.996 176.409 176.870 0.891 0.000 1.036 103 L CA -1.117 54.022 54.840 0.497 0.000 0.807 103 L CB 1.682 43.868 42.059 0.212 0.000 1.231 103 L HN 0.832 nan 8.230 nan 0.000 0.438 104 Y N -0.007 120.722 120.300 0.715 0.000 2.638 104 Y HA 0.545 5.095 4.550 -0.000 0.000 0.335 104 Y C -0.255 175.721 175.900 0.127 0.000 1.155 104 Y CA -2.117 56.333 58.100 0.583 0.000 1.046 104 Y CB 1.300 40.104 38.460 0.573 0.000 1.303 104 Y HN 0.445 nan 8.280 nan 0.000 0.460 105 S N -0.307 115.105 115.700 -0.481 0.000 2.960 105 S HA 0.409 4.879 4.470 -0.000 0.000 0.256 105 S C -0.818 173.108 174.600 -1.123 0.000 1.017 105 S CA 0.188 57.620 58.200 -1.280 0.000 1.144 105 S CB -0.570 61.948 63.200 -1.136 0.000 1.109 105 S HN 1.134 nan 8.310 nan 0.000 0.638 106 H N 0.430 119.093 119.070 -0.678 0.000 3.068 106 H HA 0.458 5.013 4.556 -0.000 0.000 0.342 106 H C -1.647 173.716 175.328 0.058 0.000 1.284 106 H CA -0.304 55.578 56.048 -0.277 0.000 1.181 106 H CB 1.024 30.680 29.762 -0.175 0.000 1.898 106 H HN 0.036 nan 8.280 nan 0.000 0.540 107 D N 1.369 121.509 120.400 -0.432 0.000 2.601 107 D HA 0.376 5.016 4.640 -0.000 0.000 0.229 107 D C -0.403 175.991 176.300 0.156 0.000 1.140 107 D CA 1.511 55.462 54.000 -0.083 0.000 0.862 107 D CB 0.538 41.185 40.800 -0.254 0.000 1.192 107 D HN 0.689 nan 8.370 nan 0.000 0.480 108 A N 1.390 124.335 122.820 0.209 0.000 2.549 108 A HA 0.596 4.916 4.320 -0.000 0.000 0.297 108 A C -0.564 177.053 177.584 0.055 0.000 1.061 108 A CA -0.782 51.337 52.037 0.136 0.000 0.690 108 A CB 1.610 20.704 19.000 0.157 0.000 1.287 108 A HN 0.328 nan 8.150 nan 0.000 0.402 109 T N 1.510 116.074 114.554 0.017 0.000 2.767 109 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 109 T C -0.369 174.400 174.700 0.115 0.000 0.973 109 T CA -0.224 61.932 62.100 0.093 0.000 0.996 109 T CB 0.960 69.944 68.868 0.193 0.000 0.927 109 T HN 0.515 nan 8.240 nan 0.000 0.456 110 V N 4.737 124.723 119.914 0.119 0.000 2.333 110 V HA 0.335 4.455 4.120 -0.000 0.000 0.274 110 V C 0.435 176.565 176.094 0.059 0.000 1.028 110 V CA -0.746 61.604 62.300 0.084 0.000 0.851 110 V CB 0.920 32.824 31.823 0.136 0.000 1.000 110 V HN 0.715 nan 8.190 nan 0.000 0.456 111 K N 6.232 126.643 120.400 0.019 0.000 2.262 111 K HA 0.542 4.861 4.320 -0.000 0.000 0.282 111 K C -0.909 175.554 176.600 -0.229 0.000 1.066 111 K CA -0.426 55.662 56.287 -0.332 0.000 0.901 111 K CB 0.636 32.784 32.500 -0.587 0.000 1.089 111 K HN 0.621 nan 8.250 nan 0.000 0.476 112 I N 3.096 123.547 120.570 -0.199 0.000 2.354 112 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 112 I C -0.359 175.758 176.117 0.000 0.000 0.989 112 I CA -0.538 60.749 61.300 -0.021 0.000 1.188 112 I CB 1.993 40.072 38.000 0.133 0.000 1.342 112 I HN 0.550 nan 8.210 nan 0.000 0.457 113 S N 5.762 121.466 115.700 0.007 0.000 2.566 113 S HA 0.652 5.122 4.470 -0.000 0.000 0.298 113 S C -0.139 174.454 174.600 -0.011 0.000 1.083 113 S CA -0.860 57.332 58.200 -0.014 0.000 0.978 113 S CB 2.627 65.778 63.200 -0.082 0.000 1.073 113 S HN 0.538 nan 8.310 nan 0.000 0.491 114 R N 0.779 121.235 120.500 -0.073 0.000 3.006 114 R HA 0.454 4.794 4.340 -0.000 0.000 0.150 114 R C -0.494 175.711 176.300 -0.159 0.000 1.285 114 R CA -0.735 55.253 56.100 -0.186 0.000 0.813 114 R CB -0.185 29.944 30.300 -0.284 0.000 1.582 114 R HN 0.769 nan 8.270 nan 0.000 0.441 115 N N -1.281 117.318 118.700 -0.168 0.000 2.563 115 N HA 0.170 4.910 4.740 -0.000 0.000 0.288 115 N C 0.890 176.345 175.510 -0.092 0.000 1.246 115 N CA -0.361 52.612 53.050 -0.128 0.000 0.946 115 N CB 0.352 38.758 38.487 -0.136 0.000 1.213 115 N HN 0.469 nan 8.380 nan 0.000 0.578 116 G N -1.320 107.434 108.800 -0.077 0.000 2.499 116 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 116 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 116 G C 0.941 175.811 174.900 -0.049 0.000 1.109 116 G CA 1.248 46.314 45.100 -0.057 0.000 0.749 116 G HN 0.754 nan 8.290 nan 0.000 0.568 117 S N -0.699 114.966 115.700 -0.058 0.000 2.540 117 S HA 0.311 4.781 4.470 -0.000 0.000 0.218 117 S C 0.940 175.510 174.600 -0.050 0.000 0.977 117 S CA -0.092 58.079 58.200 -0.049 0.000 0.918 117 S CB 0.319 63.488 63.200 -0.051 0.000 0.806 117 S HN 0.071 nan 8.310 nan 0.000 0.496 118 S N 2.343 118.005 115.700 -0.063 0.000 2.560 118 S HA 0.608 5.078 4.470 -0.000 0.000 0.284 118 S C 0.526 175.115 174.600 -0.019 0.000 1.327 118 S CA -0.122 58.042 58.200 -0.060 0.000 1.055 118 S CB 0.811 63.956 63.200 -0.092 0.000 0.868 118 S HN 0.749 nan 8.310 nan 0.000 0.506 119 A N 2.133 124.953 122.820 -0.001 0.000 2.248 119 A HA 0.544 4.864 4.320 -0.000 0.000 0.316 119 A C 0.267 177.883 177.584 0.054 0.000 1.101 119 A CA -0.773 51.275 52.037 0.019 0.000 0.875 119 A CB 0.136 19.142 19.000 0.011 0.000 1.207 119 A HN 0.721 nan 8.150 nan 0.000 0.504 120 N N 0.548 119.270 118.700 0.038 0.000 2.739 120 N HA 0.195 4.934 4.740 -0.000 0.000 0.266 120 N C -0.513 174.984 175.510 -0.022 0.000 1.168 120 N CA 0.336 53.407 53.050 0.036 0.000 1.055 120 N CB 0.013 38.503 38.487 0.005 0.000 1.393 120 N HN 0.483 nan 8.380 nan 0.000 0.514 121 S N 2.595 118.337 115.700 0.070 0.000 2.541 121 S HA 0.299 4.769 4.470 -0.000 0.000 0.283 121 S C -0.015 174.545 174.600 -0.066 0.000 1.196 121 S CA -0.884 57.346 58.200 0.051 0.000 1.062 121 S CB 0.381 63.711 63.200 0.217 0.000 1.009 121 S HN 0.719 nan 8.310 nan 0.000 0.502 122 N N 2.053 120.648 118.700 -0.176 0.000 2.479 122 N HA 0.312 5.052 4.740 -0.000 0.000 0.257 122 N C -0.518 174.965 175.510 -0.044 0.000 1.232 122 N CA -0.103 52.819 53.050 -0.213 0.000 0.920 122 N CB 0.816 39.215 38.487 -0.147 0.000 1.105 122 N HN 0.482 nan 8.380 nan 0.000 0.444 123 V N 0.196 120.134 119.914 0.040 0.000 2.864 123 V HA 0.752 4.872 4.120 -0.000 0.000 0.314 123 V C -0.637 175.436 176.094 -0.035 0.000 1.073 123 V CA -0.871 61.356 62.300 -0.123 0.000 0.956 123 V CB 1.643 33.240 31.823 -0.376 0.000 1.023 123 V HN 0.342 nan 8.190 nan 0.000 0.435 124 V N 4.999 124.887 119.914 -0.043 0.000 2.448 124 V HA 0.517 4.636 4.120 -0.000 0.000 0.295 124 V C -0.326 175.749 176.094 -0.031 0.000 1.025 124 V CA -0.494 61.789 62.300 -0.029 0.000 0.859 124 V CB 1.552 33.367 31.823 -0.014 0.000 0.988 124 V HN 0.751 nan 8.190 nan 0.000 0.431 125 I N 5.441 125.972 120.570 -0.064 0.000 2.331 125 I HA 0.520 4.689 4.170 -0.000 0.000 0.292 125 I C 0.302 176.366 176.117 -0.089 0.000 0.998 125 I CA -0.251 61.010 61.300 -0.066 0.000 1.267 125 I CB 1.335 39.207 38.000 -0.213 0.000 1.386 125 I HN 0.548 nan 8.210 nan 0.000 0.476 126 R N 7.153 127.651 120.500 -0.003 0.000 2.534 126 R HA 0.452 4.792 4.340 -0.000 0.000 0.301 126 R C -2.514 173.824 176.300 0.063 0.000 0.961 126 R CA -1.737 54.337 56.100 -0.043 0.000 0.871 126 R CB 2.129 32.356 30.300 -0.121 0.000 1.170 126 R HN 0.351 nan 8.270 nan 0.000 0.446 127 P HA -0.060 nan 4.420 nan 0.000 0.268 127 P C 0.686 177.890 177.300 -0.159 0.000 1.205 127 P CA 0.119 63.169 63.100 -0.084 0.000 0.771 127 P CB 0.822 32.489 31.700 -0.055 0.000 0.858 128 T N -1.695 112.770 114.554 -0.149 0.000 3.007 128 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 128 T C 1.632 176.230 174.700 -0.170 0.000 1.107 128 T CA 1.289 63.294 62.100 -0.158 0.000 1.118 128 T CB -0.998 67.799 68.868 -0.118 0.000 0.889 128 T HN 0.465 nan 8.240 nan 0.000 0.506 129 S N 1.142 116.751 115.700 -0.152 0.000 2.474 129 S HA 0.042 4.512 4.470 -0.000 0.000 0.235 129 S C 1.748 176.230 174.600 -0.197 0.000 0.997 129 S CA 0.200 58.322 58.200 -0.130 0.000 0.949 129 S CB -0.711 62.442 63.200 -0.077 0.000 0.766 129 S HN 0.312 nan 8.310 nan 0.000 0.517 130 L N 2.124 123.128 121.223 -0.365 0.000 2.017 130 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 130 L C 1.303 177.850 176.870 -0.540 0.000 1.073 130 L CA 1.434 55.857 54.840 -0.695 0.000 0.745 130 L CB -1.800 39.378 42.059 -1.469 0.000 0.894 130 L HN 0.514 nan 8.230 nan 0.000 0.432 131 N N -1.071 117.384 118.700 -0.408 0.000 2.725 131 N HA -0.274 4.465 4.740 -0.000 0.000 0.251 131 N C -0.338 175.143 175.510 -0.049 0.000 1.031 131 N CA 0.203 53.141 53.050 -0.187 0.000 0.720 131 N CB -1.361 37.070 38.487 -0.093 0.000 0.930 131 N HN 0.263 nan 8.380 nan 0.000 0.543 132 F N -0.083 119.736 119.950 -0.218 0.000 2.471 132 F HA 0.269 4.795 4.527 -0.000 0.000 0.353 132 F C -1.056 174.651 175.800 -0.156 0.000 1.113 132 F CA -2.128 55.739 58.000 -0.222 0.000 1.262 132 F CB 0.504 39.301 39.000 -0.340 0.000 1.146 132 F HN 0.067 nan 8.300 nan 0.000 0.578 133 P HA 0.079 nan 4.420 nan 0.000 0.267 133 P C -1.156 176.133 177.300 -0.018 0.000 1.205 133 P CA 0.090 63.196 63.100 0.010 0.000 0.765 133 P CB 0.814 32.510 31.700 -0.006 0.000 0.828 134 V N 4.684 124.561 119.914 -0.062 0.000 2.525 134 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 134 V C 0.099 176.042 176.094 -0.252 0.000 1.034 134 V CA -0.632 61.569 62.300 -0.164 0.000 0.863 134 V CB 1.725 33.414 31.823 -0.223 0.000 0.999 134 V HN 0.551 nan 8.190 nan 0.000 0.423 135 R N 3.413 123.765 120.500 -0.248 0.000 2.670 135 R HA 0.732 5.072 4.340 -0.000 0.000 0.289 135 R C -1.943 174.204 176.300 -0.255 0.000 0.965 135 R CA -0.755 55.226 56.100 -0.199 0.000 0.899 135 R CB 1.732 31.988 30.300 -0.074 0.000 1.173 135 R HN 0.496 nan 8.270 nan 0.000 0.456 136 Y N 0.581 120.948 120.300 0.113 0.000 2.341 136 Y HA 0.422 4.972 4.550 -0.000 0.000 0.337 136 Y C -0.617 175.360 175.900 0.129 0.000 1.014 136 Y CA -0.568 57.615 58.100 0.138 0.000 1.111 136 Y CB 2.128 40.637 38.460 0.081 0.000 1.194 136 Y HN 0.773 nan 8.280 nan 0.000 0.462 137 D N 1.828 122.422 120.400 0.323 0.000 2.966 137 D HA 0.180 4.820 4.640 -0.000 0.000 0.222 137 D C -0.874 175.551 176.300 0.209 0.000 1.292 137 D CA -0.526 53.601 54.000 0.212 0.000 0.907 137 D CB 0.743 41.602 40.800 0.099 0.000 1.621 137 D HN 0.497 nan 8.370 nan 0.000 0.557 138 N N 3.110 121.886 118.700 0.127 0.000 2.705 138 N HA -0.269 4.471 4.740 -0.000 0.000 0.255 138 N C -0.473 175.092 175.510 0.090 0.000 1.008 138 N CA 1.498 54.600 53.050 0.088 0.000 0.742 138 N CB -0.574 37.952 38.487 0.065 0.000 0.906 138 N HN 0.573 nan 8.380 nan 0.000 0.541 139 Q N -2.564 117.303 119.800 0.113 0.000 2.406 139 Q HA -0.199 4.141 4.340 -0.000 0.000 0.236 139 Q C -0.579 175.500 176.000 0.132 0.000 0.799 139 Q CA 1.735 57.606 55.803 0.114 0.000 1.286 139 Q CB -1.768 27.005 28.738 0.058 0.000 1.615 139 Q HN 0.609 nan 8.270 nan 0.000 0.621 140 S N -1.274 114.510 115.700 0.140 0.000 2.664 140 S HA 0.812 5.282 4.470 -0.000 0.000 0.304 140 S C -0.364 174.286 174.600 0.083 0.000 1.099 140 S CA -0.657 57.570 58.200 0.044 0.000 1.003 140 S CB 2.202 65.324 63.200 -0.131 0.000 1.092 140 S HN 0.049 nan 8.310 nan 0.000 0.525 141 V N 2.316 122.191 119.914 -0.064 0.000 2.448 141 V HA 0.431 4.550 4.120 -0.000 0.000 0.295 141 V C -1.655 174.269 176.094 -0.283 0.000 1.025 141 V CA -0.608 61.642 62.300 -0.084 0.000 0.859 141 V CB 0.970 32.780 31.823 -0.021 0.000 0.988 141 V HN 0.841 nan 8.190 nan 0.000 0.431 142 Y N 4.804 125.030 120.300 -0.124 0.000 2.356 142 Y HA 0.629 5.179 4.550 -0.000 0.000 0.334 142 Y C 0.122 175.977 175.900 -0.076 0.000 0.958 142 Y CA -0.531 57.535 58.100 -0.057 0.000 1.196 142 Y CB 1.453 39.892 38.460 -0.036 0.000 1.137 142 Y HN 0.456 nan 8.280 nan 0.000 0.485 143 I N 3.409 124.030 120.570 0.086 0.000 2.362 143 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 143 I C -0.301 175.839 176.117 0.039 0.000 0.994 143 I CA -0.624 60.707 61.300 0.051 0.000 1.158 143 I CB 1.676 39.731 38.000 0.092 0.000 1.315 143 I HN 0.528 nan 8.210 nan 0.000 0.451 144 T N 5.996 120.534 114.554 -0.027 0.000 2.782 144 T HA 0.233 4.583 4.350 -0.000 0.000 0.298 144 T C 0.103 174.608 174.700 -0.325 0.000 0.944 144 T CA -0.328 61.719 62.100 -0.088 0.000 1.001 144 T CB 0.424 69.252 68.868 -0.066 0.000 0.932 144 T HN 0.197 nan 8.240 nan 0.000 0.524 145 V N 7.932 127.673 119.914 -0.289 0.000 2.353 145 V HA 0.241 4.361 4.120 -0.000 0.000 0.264 145 V C -2.040 173.916 176.094 -0.231 0.000 1.049 145 V CA -2.088 59.878 62.300 -0.556 0.000 0.896 145 V CB 0.549 32.312 31.823 -0.100 0.000 1.025 145 V HN 0.619 nan 8.190 nan 0.000 0.475 146 P HA 0.080 nan 4.420 nan 0.000 0.271 146 P C -0.732 176.717 177.300 0.250 0.000 1.218 146 P CA -0.187 62.876 63.100 -0.062 0.000 0.780 146 P CB 0.348 31.986 31.700 -0.103 0.000 0.901 147 Y N 2.346 122.660 120.300 0.023 0.000 2.411 147 Y HA 0.385 4.935 4.550 -0.000 0.000 0.333 147 Y C 0.208 176.097 175.900 -0.019 0.000 1.186 147 Y CA 0.424 58.403 58.100 -0.200 0.000 1.381 147 Y CB 0.540 38.745 38.460 -0.425 0.000 1.273 147 Y HN 0.265 nan 8.280 nan 0.000 0.546 148 S N 7.047 122.101 115.700 -1.077 0.000 2.572 148 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 148 S C -2.117 171.842 174.600 -1.068 0.000 1.150 148 S CA -1.445 56.272 58.200 -0.806 0.000 0.944 148 S CB 1.674 64.591 63.200 -0.472 0.000 1.071 148 S HN 0.583 nan 8.310 nan 0.000 0.479 149 P HA -0.074 nan 4.420 nan 0.000 0.221 149 P C 0.941 178.136 177.300 -0.175 0.000 1.145 149 P CA 1.361 64.265 63.100 -0.328 0.000 0.795 149 P CB -0.321 31.295 31.700 -0.139 0.000 0.775 150 T N -5.253 109.162 114.554 -0.232 0.000 3.054 150 T HA 0.460 4.810 4.350 -0.000 0.000 0.255 150 T C 1.058 175.664 174.700 -0.156 0.000 1.035 150 T CA 0.167 62.178 62.100 -0.149 0.000 0.941 150 T CB -0.359 68.415 68.868 -0.158 0.000 1.026 150 T HN 0.333 nan 8.240 nan 0.000 0.533 151 G N 1.091 109.773 108.800 -0.197 0.000 2.749 151 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.242 151 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.242 151 G C -0.917 173.800 174.900 -0.304 0.000 1.364 151 G CA -0.318 44.762 45.100 -0.034 0.000 0.888 151 G HN 0.565 nan 8.290 nan 0.000 0.566 152 Y N -1.029 119.424 120.300 0.255 0.000 2.562 152 Y HA 0.759 5.309 4.550 -0.000 0.000 0.345 152 Y C 0.536 176.625 175.900 0.315 0.000 1.045 152 Y CA -0.948 57.350 58.100 0.330 0.000 1.028 152 Y CB 2.431 41.221 38.460 0.552 0.000 1.297 152 Y HN 0.625 nan 8.280 nan 0.000 0.463 153 R N 2.481 123.293 120.500 0.520 0.000 2.507 153 R HA 0.546 4.886 4.340 -0.000 0.000 0.298 153 R C -1.766 174.821 176.300 0.477 0.000 1.087 153 R CA -0.442 55.913 56.100 0.425 0.000 0.917 153 R CB 1.086 31.535 30.300 0.248 0.000 1.173 153 R HN 0.552 nan 8.270 nan 0.000 0.472 154 F N -1.256 118.848 119.950 0.256 0.000 2.650 154 F HA 0.743 5.270 4.527 -0.000 0.000 0.320 154 F C -0.498 175.363 175.800 0.102 0.000 1.091 154 F CA -1.329 56.772 58.000 0.169 0.000 0.962 154 F CB 1.846 40.903 39.000 0.095 0.000 1.363 154 F HN 0.192 nan 8.300 nan 0.000 0.482 155 S N 0.888 116.799 115.700 0.352 0.000 2.454 155 S HA 0.703 5.173 4.470 -0.000 0.000 0.306 155 S C -1.373 173.387 174.600 0.268 0.000 1.100 155 S CA -0.518 57.836 58.200 0.256 0.000 1.087 155 S CB 1.180 64.594 63.200 0.356 0.000 1.019 155 S HN 0.630 nan 8.310 nan 0.000 0.480 156 V N 6.093 126.114 119.914 0.179 0.000 2.333 156 V HA 0.396 4.516 4.120 -0.000 0.000 0.274 156 V C -0.305 175.860 176.094 0.119 0.000 1.028 156 V CA -0.484 61.891 62.300 0.125 0.000 0.851 156 V CB 0.975 32.848 31.823 0.084 0.000 1.000 156 V HN 0.873 nan 8.190 nan 0.000 0.456 157 E N 5.012 125.267 120.200 0.090 0.000 2.114 157 E HA 0.425 4.775 4.350 -0.000 0.000 0.266 157 E C -1.245 175.427 176.600 0.120 0.000 0.896 157 E CA -0.599 55.907 56.400 0.177 0.000 0.750 157 E CB 1.502 31.307 29.700 0.174 0.000 1.121 157 E HN 0.452 nan 8.360 nan 0.000 0.413 158 F N 2.324 122.358 119.950 0.140 0.000 2.467 158 F HA 0.033 4.560 4.527 -0.000 0.000 0.362 158 F C 1.510 177.369 175.800 0.098 0.000 1.090 158 F CA -0.175 57.905 58.000 0.133 0.000 1.202 158 F CB 0.524 39.623 39.000 0.164 0.000 1.113 158 F HN 0.424 nan 8.300 nan 0.000 0.541 159 D N 1.404 121.919 120.400 0.191 0.000 2.133 159 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 159 D C 1.711 178.086 176.300 0.126 0.000 0.997 159 D CA 1.827 55.900 54.000 0.122 0.000 0.840 159 D CB -0.278 40.560 40.800 0.062 0.000 0.947 159 D HN 0.626 nan 8.370 nan 0.000 0.452 160 D N -0.529 119.960 120.400 0.148 0.000 2.363 160 D HA -0.094 4.545 4.640 -0.000 0.000 0.226 160 D C 0.897 177.255 176.300 0.097 0.000 1.020 160 D CA 0.363 54.423 54.000 0.100 0.000 0.892 160 D CB -0.118 40.729 40.800 0.078 0.000 0.900 160 D HN 0.129 nan 8.370 nan 0.000 0.531 161 D N -0.612 119.877 120.400 0.149 0.000 2.407 161 D HA 0.096 4.735 4.640 -0.000 0.000 0.208 161 D C 0.376 176.747 176.300 0.119 0.000 1.083 161 D CA -0.219 53.858 54.000 0.128 0.000 0.844 161 D CB 0.222 41.137 40.800 0.191 0.000 0.967 161 D HN 0.113 nan 8.370 nan 0.000 0.506 162 L N 1.946 123.239 121.223 0.116 0.000 2.456 162 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 162 L C 0.574 177.476 176.870 0.052 0.000 1.189 162 L CA -0.065 54.828 54.840 0.088 0.000 0.846 162 L CB 0.618 42.725 42.059 0.080 0.000 1.111 162 L HN 0.133 nan 8.230 nan 0.000 0.475 163 I N -1.427 119.163 120.570 0.032 0.000 3.145 163 I HA 0.561 4.731 4.170 -0.000 0.000 0.313 163 I C -0.514 175.595 176.117 -0.014 0.000 1.122 163 I CA -0.752 60.553 61.300 0.008 0.000 0.987 163 I CB 2.306 40.304 38.000 -0.003 0.000 1.236 163 I HN 0.303 nan 8.210 nan 0.000 0.453 164 S N 3.072 118.760 115.700 -0.021 0.000 2.442 164 S HA 0.612 5.082 4.470 -0.000 0.000 0.297 164 S C -0.401 174.155 174.600 -0.074 0.000 1.131 164 S CA -0.623 57.560 58.200 -0.029 0.000 1.092 164 S CB 1.032 64.231 63.200 -0.001 0.000 0.998 164 S HN 0.367 nan 8.310 nan 0.000 0.478 165 L N 3.137 124.285 121.223 -0.125 0.000 2.265 165 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 165 L C 0.510 177.352 176.870 -0.047 0.000 1.033 165 L CA -0.670 54.016 54.840 -0.256 0.000 0.814 165 L CB 0.881 42.633 42.059 -0.513 0.000 1.203 165 L HN 0.666 nan 8.230 nan 0.000 0.423 166 A N 5.821 128.680 122.820 0.066 0.000 2.340 166 A HA 0.537 4.857 4.320 -0.000 0.000 0.268 166 A C -1.472 176.248 177.584 0.226 0.000 1.100 166 A CA -0.982 51.136 52.037 0.136 0.000 0.803 166 A CB 0.137 19.213 19.000 0.128 0.000 1.043 166 A HN 0.663 nan 8.150 nan 0.000 0.488 167 P HA 0.012 nan 4.420 nan 0.000 0.261 167 P C 0.967 178.335 177.300 0.114 0.000 1.268 167 P CA 0.846 64.021 63.100 0.124 0.000 0.833 167 P CB 0.296 32.064 31.700 0.113 0.000 1.231 168 S N -0.273 115.504 115.700 0.129 0.000 2.406 168 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 168 S C 1.882 176.533 174.600 0.085 0.000 1.020 168 S CA 1.131 59.402 58.200 0.119 0.000 0.965 168 S CB -1.543 61.740 63.200 0.137 0.000 0.798 168 S HN 0.284 nan 8.310 nan 0.000 0.488 169 G N 1.199 110.036 108.800 0.062 0.000 2.162 169 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.260 169 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.260 169 G C 0.277 175.194 174.900 0.029 0.000 0.976 169 G CA 0.122 45.247 45.100 0.041 0.000 0.655 169 G HN 1.431 nan 8.290 nan 0.000 0.533 170 A N 0.462 123.299 122.820 0.027 0.000 2.567 170 A HA 0.473 4.793 4.320 -0.000 0.000 0.240 170 A C 0.892 178.474 177.584 -0.004 0.000 1.053 170 A CA 0.393 52.443 52.037 0.022 0.000 0.755 170 A CB 0.194 19.207 19.000 0.023 0.000 0.978 170 A HN 0.375 nan 8.150 nan 0.000 0.507 171 R N 2.793 123.304 120.500 0.018 0.000 2.205 171 R HA 0.305 4.645 4.340 -0.000 0.000 0.342 171 R C -0.315 175.992 176.300 0.013 0.000 1.058 171 R CA 0.223 56.333 56.100 0.017 0.000 0.904 171 R CB 0.508 30.828 30.300 0.034 0.000 1.089 171 R HN 0.881 nan 8.270 nan 0.000 0.471 172 Q N 2.433 122.218 119.800 -0.025 0.000 2.495 172 Q HA 0.459 4.799 4.340 -0.000 0.000 0.287 172 Q C -2.588 173.443 176.000 0.051 0.000 1.078 172 Q CA -2.249 53.508 55.803 -0.076 0.000 0.793 172 Q CB 2.806 31.422 28.738 -0.204 0.000 1.459 172 Q HN 0.213 nan 8.270 nan 0.000 0.422 173 P HA -0.058 nan 4.420 nan 0.000 0.268 173 P C -0.177 177.233 177.300 0.183 0.000 1.204 173 P CA 0.382 63.612 63.100 0.217 0.000 0.768 173 P CB 0.655 32.556 31.700 0.335 0.000 0.842 174 E N 3.079 123.358 120.200 0.131 0.000 2.158 174 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 174 E C -0.123 176.536 176.600 0.099 0.000 0.982 174 E CA 0.715 57.165 56.400 0.084 0.000 0.823 174 E CB 0.120 29.847 29.700 0.045 0.000 0.766 174 E HN 0.382 nan 8.360 nan 0.000 0.468 175 N N 1.031 119.822 118.700 0.152 0.000 2.696 175 N HA 0.248 4.988 4.740 -0.000 0.000 0.246 175 N C -1.205 174.489 175.510 0.307 0.000 1.057 175 N CA -0.105 53.062 53.050 0.197 0.000 0.867 175 N CB 1.654 40.228 38.487 0.145 0.000 1.141 175 N HN 0.085 nan 8.380 nan 0.000 0.517 176 A N 1.673 124.617 122.820 0.206 0.000 2.386 176 A HA 0.458 4.777 4.320 -0.000 0.000 0.248 176 A C -0.133 177.481 177.584 0.050 0.000 1.082 176 A CA -0.090 52.055 52.037 0.180 0.000 0.789 176 A CB 0.375 19.404 19.000 0.048 0.000 1.025 176 A HN 0.564 nan 8.150 nan 0.000 0.490 177 L N 2.432 123.617 121.223 -0.063 0.000 2.446 177 L HA 0.569 4.909 4.340 -0.000 0.000 0.268 177 L C -1.191 175.564 176.870 -0.191 0.000 0.975 177 L CA -0.015 54.663 54.840 -0.270 0.000 0.848 177 L CB 1.185 42.819 42.059 -0.710 0.000 1.225 177 L HN 0.610 nan 8.230 nan 0.000 0.410 178 L N 5.483 126.542 121.223 -0.273 0.000 2.325 178 L HA 0.622 4.962 4.340 -0.000 0.000 0.278 178 L C -0.669 175.764 176.870 -0.729 0.000 1.023 178 L CA -0.810 53.721 54.840 -0.515 0.000 0.811 178 L CB 1.833 43.433 42.059 -0.765 0.000 1.249 178 L HN 0.402 nan 8.230 nan 0.000 0.431 179 I N 2.871 122.904 120.570 -0.895 0.000 2.389 179 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 179 I C -0.610 175.133 176.117 -0.624 0.000 0.999 179 I CA -0.221 60.583 61.300 -0.827 0.000 1.129 179 I CB 1.242 38.600 38.000 -1.070 0.000 1.288 179 I HN 0.460 nan 8.210 nan 0.000 0.444 180 F N 4.963 124.738 119.950 -0.291 0.000 2.307 180 F HA 0.557 5.084 4.527 -0.000 0.000 0.369 180 F C 0.623 176.187 175.800 -0.393 0.000 1.076 180 F CA -0.979 56.889 58.000 -0.219 0.000 1.149 180 F CB 1.474 40.443 39.000 -0.052 0.000 1.410 180 F HN 0.536 nan 8.300 nan 0.000 0.481 181 A N 2.751 125.400 122.820 -0.285 0.000 2.279 181 A HA 0.668 4.988 4.320 -0.000 0.000 0.306 181 A C -0.219 177.282 177.584 -0.139 0.000 1.300 181 A CA -0.252 51.311 52.037 -0.791 0.000 0.925 181 A CB 0.453 18.996 19.000 -0.760 0.000 1.152 181 A HN 0.567 nan 8.150 nan 0.000 0.544 182 S N 3.613 119.300 115.700 -0.022 0.000 2.600 182 S HA 0.759 5.229 4.470 -0.000 0.000 0.300 182 S C -2.734 172.139 174.600 0.456 0.000 1.087 182 S CA -1.177 57.173 58.200 0.251 0.000 0.965 182 S CB 1.854 65.187 63.200 0.221 0.000 1.089 182 S HN 0.690 nan 8.310 nan 0.000 0.496 183 P HA 0.267 nan 4.420 nan 0.000 0.276 183 P C -0.597 176.994 177.300 0.486 0.000 1.252 183 P CA -0.526 62.872 63.100 0.497 0.000 0.802 183 P CB 0.398 32.308 31.700 0.350 0.000 1.035 184 F N -0.156 119.909 119.950 0.192 0.000 2.539 184 F HA -0.001 4.526 4.527 -0.000 0.000 0.340 184 F C 1.596 177.497 175.800 0.168 0.000 1.185 184 F CA -0.169 57.920 58.000 0.148 0.000 1.333 184 F CB 0.312 39.382 39.000 0.118 0.000 1.152 184 F HN 0.226 nan 8.300 nan 0.000 0.602 185 E N 1.888 122.270 120.200 0.303 0.000 2.194 185 E HA 0.087 4.437 4.350 -0.000 0.000 0.284 185 E C -0.464 176.286 176.600 0.250 0.000 1.035 185 E CA -0.433 56.149 56.400 0.302 0.000 0.836 185 E CB 0.549 30.445 29.700 0.327 0.000 1.070 185 E HN 0.553 nan 8.360 nan 0.000 0.401 186 N N 0.729 119.563 118.700 0.223 0.000 2.431 186 N HA 0.124 4.863 4.740 -0.000 0.000 0.289 186 N C 0.417 176.018 175.510 0.152 0.000 1.277 186 N CA -0.747 52.403 53.050 0.167 0.000 0.972 186 N CB 0.655 39.221 38.487 0.131 0.000 1.143 186 N HN 0.096 nan 8.380 nan 0.000 0.578 187 S N -0.601 115.168 115.700 0.116 0.000 2.442 187 S HA -0.144 4.326 4.470 -0.000 0.000 0.236 187 S C 1.852 176.530 174.600 0.130 0.000 1.007 187 S CA 1.199 59.469 58.200 0.116 0.000 0.965 187 S CB -0.452 62.796 63.200 0.079 0.000 0.773 187 S HN 0.703 nan 8.310 nan 0.000 0.504 188 S N 0.989 116.735 115.700 0.076 0.000 2.478 188 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 188 S C 1.716 176.311 174.600 -0.010 0.000 1.008 188 S CA 0.957 59.140 58.200 -0.029 0.000 0.928 188 S CB -0.422 62.742 63.200 -0.061 0.000 0.781 188 S HN 0.622 nan 8.310 nan 0.000 0.518 189 T N -1.714 112.955 114.554 0.193 0.000 2.985 189 T HA 0.333 4.683 4.350 -0.000 0.000 0.254 189 T C 0.200 175.250 174.700 0.582 0.000 1.021 189 T CA -0.362 61.950 62.100 0.355 0.000 0.957 189 T CB -0.098 68.947 68.868 0.296 0.000 1.047 189 T HN 0.348 nan 8.240 nan 0.000 0.511 190 K N 2.870 123.502 120.400 0.387 0.000 2.413 190 K HA 0.490 4.810 4.320 -0.000 0.000 0.257 190 K C -3.029 173.488 176.600 -0.138 0.000 0.946 190 K CA -2.389 53.869 56.287 -0.050 0.000 0.823 190 K CB 2.026 34.520 32.500 -0.009 0.000 1.109 190 K HN 0.009 nan 8.250 nan 0.000 0.427 191 P HA 0.076 nan 4.420 nan 0.000 0.277 191 P C -0.999 176.070 177.300 -0.385 0.000 1.240 191 P CA -0.464 62.225 63.100 -0.686 0.000 0.798 191 P CB 0.981 31.878 31.700 -1.338 0.000 0.979 192 Q N 2.359 122.040 119.800 -0.198 0.000 2.304 192 Q HA 0.266 4.606 4.340 -0.000 0.000 0.260 192 Q C -1.631 174.278 176.000 -0.151 0.000 0.965 192 Q CA -1.323 54.405 55.803 -0.126 0.000 0.898 192 Q CB -0.116 28.591 28.738 -0.051 0.000 1.196 192 Q HN 0.445 nan 8.270 nan 0.000 0.402 193 P HA 0.191 nan 4.420 nan 0.000 0.276 193 P C 0.382 177.637 177.300 -0.075 0.000 1.244 193 P CA 0.092 63.128 63.100 -0.107 0.000 0.801 193 P CB 0.865 32.520 31.700 -0.076 0.000 1.006 194 G N 0.083 108.841 108.800 -0.071 0.000 2.176 194 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.253 194 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.253 194 G C 0.407 175.278 174.900 -0.049 0.000 0.979 194 G CA 0.298 45.368 45.100 -0.051 0.000 0.641 194 G HN 0.846 nan 8.290 nan 0.000 0.530 195 S N 1.660 117.322 115.700 -0.062 0.000 2.533 195 S HA 0.458 4.928 4.470 -0.000 0.000 0.282 195 S C 0.220 174.792 174.600 -0.046 0.000 1.304 195 S CA -0.260 57.910 58.200 -0.049 0.000 1.063 195 S CB 1.188 64.355 63.200 -0.055 0.000 0.881 195 S HN 0.231 nan 8.310 nan 0.000 0.493 196 P HA -0.036 nan 4.420 nan 0.000 0.225 196 P C 0.027 177.311 177.300 -0.028 0.000 1.148 196 P CA 0.932 64.016 63.100 -0.027 0.000 0.779 196 P CB -0.117 31.572 31.700 -0.017 0.000 0.780 197 N N -0.908 117.777 118.700 -0.025 0.000 2.268 197 N HA 0.072 4.812 4.740 -0.000 0.000 0.204 197 N C -0.073 175.415 175.510 -0.036 0.000 1.124 197 N CA 0.087 53.125 53.050 -0.019 0.000 0.838 197 N CB 0.221 38.709 38.487 0.002 0.000 0.994 197 N HN 0.008 nan 8.380 nan 0.000 0.489 198 S N 0.161 115.821 115.700 -0.066 0.000 2.621 198 S HA 0.554 5.024 4.470 -0.000 0.000 0.302 198 S C -0.689 173.842 174.600 -0.114 0.000 1.093 198 S CA -0.720 57.415 58.200 -0.109 0.000 1.017 198 S CB 1.855 64.964 63.200 -0.153 0.000 1.077 198 S HN 0.121 nan 8.310 nan 0.000 0.517 199 I N 1.380 121.859 120.570 -0.152 0.000 2.499 199 I HA 0.658 4.828 4.170 -0.000 0.000 0.288 199 I C -1.144 174.833 176.117 -0.233 0.000 1.048 199 I CA -0.810 60.396 61.300 -0.156 0.000 1.062 199 I CB 1.342 39.261 38.000 -0.136 0.000 1.238 199 I HN 0.708 nan 8.210 nan 0.000 0.426 200 A N 9.149 131.853 122.820 -0.194 0.000 2.508 200 A HA 0.630 4.950 4.320 -0.000 0.000 0.336 200 A C -2.462 175.024 177.584 -0.163 0.000 1.360 200 A CA -1.295 50.609 52.037 -0.222 0.000 0.841 200 A CB -0.212 18.708 19.000 -0.133 0.000 1.136 200 A HN 0.535 nan 8.150 nan 0.000 0.489 201 P HA 0.282 nan 4.420 nan 0.000 0.267 201 P C 0.159 177.540 177.300 0.135 0.000 1.200 201 P CA 0.145 63.200 63.100 -0.074 0.000 0.772 201 P CB 0.883 32.513 31.700 -0.116 0.000 0.855 202 A N 4.105 126.994 122.820 0.114 0.000 2.304 202 A HA 0.531 4.851 4.320 -0.000 0.000 0.271 202 A C -2.118 175.531 177.584 0.109 0.000 1.091 202 A CA -1.512 50.594 52.037 0.115 0.000 0.812 202 A CB -1.107 17.904 19.000 0.020 0.000 1.056 202 A HN 0.408 nan 8.150 nan 0.000 0.489 203 P HA 0.390 nan 4.420 nan 0.000 0.269 203 P C 0.756 177.882 177.300 -0.291 0.000 1.211 203 P CA 1.715 64.519 63.100 -0.494 0.000 0.781 203 P CB 0.446 31.920 31.700 -0.377 0.000 0.877 204 G N 0.309 108.884 108.800 -0.375 0.000 2.416 204 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.203 204 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.203 204 G C -0.820 173.521 174.900 -0.933 0.000 1.227 204 G CA -0.734 44.101 45.100 -0.443 0.000 1.041 204 G HN 0.702 nan 8.290 nan 0.000 0.546 205 R N -0.134 119.783 120.500 -0.971 0.000 2.489 205 R HA 0.509 4.849 4.340 -0.000 0.000 0.287 205 R C 0.070 176.060 176.300 -0.518 0.000 1.053 205 R CA 0.152 55.718 56.100 -0.890 0.000 1.036 205 R CB 0.540 30.602 30.300 -0.396 0.000 0.966 205 R HN 0.790 nan 8.270 nan 0.000 0.432 206 V N 7.121 126.654 119.914 -0.636 0.000 2.370 206 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 206 V C 0.033 175.904 176.094 -0.372 0.000 1.029 206 V CA -0.562 61.439 62.300 -0.499 0.000 0.870 206 V CB 0.968 32.367 31.823 -0.706 0.000 0.984 206 V HN 0.615 nan 8.190 nan 0.000 0.451 207 L N 3.303 124.431 121.223 -0.159 0.000 2.393 207 L HA 0.826 5.166 4.340 -0.000 0.000 0.260 207 L C 0.996 177.856 176.870 -0.016 0.000 1.002 207 L CA -0.268 54.537 54.840 -0.059 0.000 0.818 207 L CB 2.123 44.152 42.059 -0.050 0.000 1.369 207 L HN 0.775 nan 8.230 nan 0.000 0.412 208 G N 0.871 109.680 108.800 0.015 0.000 2.195 208 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 208 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 208 G C 0.632 175.542 174.900 0.017 0.000 0.984 208 G CA 0.355 45.462 45.100 0.011 0.000 0.633 208 G HN 0.493 nan 8.290 nan 0.000 0.525 209 L N 1.375 122.624 121.223 0.044 0.000 2.362 209 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 209 L C 2.585 179.468 176.870 0.021 0.000 1.134 209 L CA 1.430 56.293 54.840 0.038 0.000 0.807 209 L CB -0.452 41.664 42.059 0.095 0.000 0.927 209 L HN 0.568 nan 8.230 nan 0.000 0.447 210 N N -0.693 118.017 118.700 0.017 0.000 2.515 210 N HA -0.109 4.631 4.740 -0.000 0.000 0.185 210 N C 1.220 176.732 175.510 0.002 0.000 1.109 210 N CA 1.405 54.453 53.050 -0.004 0.000 0.903 210 N CB -0.320 38.157 38.487 -0.017 0.000 0.969 210 N HN 0.361 nan 8.380 nan 0.000 0.450 211 T N -5.253 109.305 114.554 0.007 0.000 3.111 211 T HA 0.113 4.463 4.350 -0.000 0.000 0.284 211 T C 0.464 175.166 174.700 0.004 0.000 0.983 211 T CA -0.417 61.687 62.100 0.006 0.000 0.900 211 T CB -0.271 68.601 68.868 0.006 0.000 1.132 211 T HN 0.041 nan 8.240 nan 0.000 0.531 212 T N 2.331 116.886 114.554 0.002 0.000 2.903 212 T HA 0.243 4.592 4.350 -0.000 0.000 0.314 212 T C 1.446 176.147 174.700 0.002 0.000 1.078 212 T CA 0.491 62.588 62.100 -0.004 0.000 1.114 212 T CB 0.685 69.544 68.868 -0.015 0.000 0.987 212 T HN 0.451 nan 8.240 nan 0.000 0.548 213 S N 2.579 118.278 115.700 -0.002 0.000 2.575 213 S HA 0.416 4.886 4.470 -0.000 0.000 0.215 213 S C 0.918 175.521 174.600 0.005 0.000 0.966 213 S CA -0.129 58.073 58.200 0.003 0.000 0.911 213 S CB -0.058 63.142 63.200 0.000 0.000 0.780 213 S HN 0.933 nan 8.310 nan 0.000 0.514 214 A N 1.995 124.813 122.820 -0.004 0.000 2.366 214 A HA 0.572 4.891 4.320 -0.000 0.000 0.249 214 A C 1.290 178.887 177.584 0.021 0.000 1.084 214 A CA 0.074 52.107 52.037 -0.006 0.000 0.794 214 A CB 0.341 19.319 19.000 -0.036 0.000 1.034 214 A HN 0.621 nan 8.150 nan 0.000 0.491 215 S N -0.412 115.308 115.700 0.033 0.000 2.502 215 S HA 0.203 4.672 4.470 -0.000 0.000 0.215 215 S C 0.427 175.096 174.600 0.115 0.000 1.009 215 S CA 0.641 58.889 58.200 0.080 0.000 0.908 215 S CB 0.090 63.341 63.200 0.084 0.000 0.801 215 S HN 0.672 nan 8.310 nan 0.000 0.505 216 T N 2.032 116.611 114.554 0.041 0.000 2.879 216 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 216 T C -1.163 173.456 174.700 -0.134 0.000 0.993 216 T CA -0.483 61.607 62.100 -0.017 0.000 0.975 216 T CB 1.997 70.793 68.868 -0.121 0.000 0.981 216 T HN 0.044 nan 8.240 nan 0.000 0.439 217 V N 3.871 123.687 119.914 -0.162 0.000 2.370 217 V HA 0.495 4.615 4.120 -0.000 0.000 0.283 217 V C -0.249 175.584 176.094 -0.435 0.000 1.023 217 V CA -0.668 61.447 62.300 -0.308 0.000 0.857 217 V CB 1.612 33.273 31.823 -0.270 0.000 0.985 217 V HN 0.715 nan 8.190 nan 0.000 0.443 218 V N 5.791 125.402 119.914 -0.505 0.000 2.378 218 V HA 0.471 4.591 4.120 -0.000 0.000 0.288 218 V C -0.719 175.058 176.094 -0.529 0.000 1.016 218 V CA -0.434 61.638 62.300 -0.379 0.000 0.840 218 V CB 1.365 33.037 31.823 -0.253 0.000 0.994 218 V HN 0.673 nan 8.190 nan 0.000 0.431 219 F N 4.175 123.965 119.950 -0.266 0.000 2.313 219 F HA 0.466 4.993 4.527 -0.000 0.000 0.369 219 F C 0.890 176.607 175.800 -0.138 0.000 1.109 219 F CA -0.491 57.260 58.000 -0.415 0.000 1.132 219 F CB 0.641 39.247 39.000 -0.656 0.000 1.291 219 F HN 0.446 nan 8.300 nan 0.000 0.496 220 N N 3.660 122.457 118.700 0.162 0.000 2.379 220 N HA 0.276 5.016 4.740 -0.000 0.000 0.260 220 N C -2.528 173.159 175.510 0.294 0.000 1.254 220 N CA -1.574 51.597 53.050 0.202 0.000 0.958 220 N CB 0.341 38.919 38.487 0.152 0.000 1.208 220 N HN 0.126 nan 8.380 nan 0.000 0.532 221 P HA 0.089 nan 4.420 nan 0.000 0.261 221 P C 0.077 177.508 177.300 0.218 0.000 1.173 221 P CA 0.843 64.045 63.100 0.169 0.000 0.760 221 P CB 0.105 31.855 31.700 0.084 0.000 0.783 222 G N 0.728 109.677 108.800 0.248 0.000 2.369 222 G HA2 0.235 4.194 3.960 -0.000 0.000 0.293 222 G HA3 0.235 4.194 3.960 -0.000 0.000 0.293 222 G C -1.828 173.091 174.900 0.031 0.000 1.301 222 G CA -0.748 44.394 45.100 0.069 0.000 0.913 222 G HN 0.358 nan 8.290 nan 0.000 0.540 223 V N 0.641 120.413 119.914 -0.237 0.000 2.459 223 V HA 0.755 4.875 4.120 -0.000 0.000 0.295 223 V C -0.956 174.921 176.094 -0.362 0.000 1.029 223 V CA -0.577 61.660 62.300 -0.105 0.000 0.874 223 V CB 0.987 32.794 31.823 -0.026 0.000 0.985 223 V HN 0.667 nan 8.190 nan 0.000 0.438 224 Y N 4.243 124.621 120.300 0.129 0.000 2.545 224 Y HA 0.804 5.354 4.550 -0.000 0.000 0.348 224 Y C -0.429 175.510 175.900 0.064 0.000 1.002 224 Y CA -1.251 56.841 58.100 -0.013 0.000 1.039 224 Y CB 1.989 40.422 38.460 -0.045 0.000 1.271 224 Y HN 0.712 nan 8.280 nan 0.000 0.467 225 Y N -1.819 118.499 120.300 0.030 0.000 2.552 225 Y HA 0.635 5.185 4.550 -0.000 0.000 0.337 225 Y C -1.382 174.398 175.900 -0.201 0.000 1.094 225 Y CA -2.152 55.949 58.100 0.002 0.000 1.028 225 Y CB 0.762 39.218 38.460 -0.005 0.000 1.321 225 Y HN 0.471 nan 8.280 nan 0.000 0.456 226 F N 1.436 121.453 119.950 0.111 0.000 2.682 226 F HA 0.263 4.789 4.527 -0.000 0.000 0.308 226 F C 0.700 176.435 175.800 -0.109 0.000 1.093 226 F CA 0.589 58.590 58.000 0.002 0.000 1.244 226 F CB 0.629 39.641 39.000 0.021 0.000 1.052 226 F HN 0.969 nan 8.300 nan 0.000 0.573 227 T N -2.506 112.087 114.554 0.065 0.000 0.541 227 T HA -0.188 4.162 4.350 -0.000 0.000 0.774 227 T C 0.911 175.406 174.700 -0.342 0.000 0.992 227 T CA -0.055 61.940 62.100 -0.174 0.000 4.077 227 T CB -1.091 67.520 68.868 -0.428 0.000 2.303 227 T HN 0.432 nan 8.240 nan 0.000 0.398 228 G N 0.741 109.371 108.800 -0.283 0.000 2.920 228 G HA2 0.217 4.177 3.960 -0.000 0.000 0.208 228 G HA3 0.217 4.177 3.960 -0.000 0.000 0.208 228 G C 1.026 175.891 174.900 -0.058 0.000 1.159 228 G CA 0.617 45.572 45.100 -0.242 0.000 0.784 228 G HN 1.467 nan 8.290 nan 0.000 0.535 229 H N -1.383 117.557 119.070 -0.216 0.000 2.505 229 H HA 0.432 4.988 4.556 -0.000 0.000 0.260 229 H C -1.218 173.649 175.328 -0.769 0.000 1.168 229 H CA -0.333 55.467 56.048 -0.414 0.000 0.945 229 H CB 0.648 30.396 29.762 -0.022 0.000 1.800 229 H HN 0.181 nan 8.280 nan 0.000 0.586 230 D N 0.979 120.762 120.400 -1.029 0.000 2.728 230 D HA 0.161 4.801 4.640 -0.000 0.000 0.249 230 D C -1.164 175.148 176.300 0.019 0.000 1.225 230 D CA -0.369 53.392 54.000 -0.399 0.000 0.748 230 D CB 1.478 42.222 40.800 -0.092 0.000 1.326 230 D HN 0.437 nan 8.370 nan 0.000 0.426 231 H N 0.352 119.444 119.070 0.037 0.000 2.942 231 H HA 0.370 4.926 4.556 -0.000 0.000 0.316 231 H C -0.907 174.203 175.328 -0.363 0.000 1.323 231 H CA -1.098 54.877 56.048 -0.121 0.000 1.144 231 H CB 0.685 30.389 29.762 -0.096 0.000 1.866 231 H HN 0.420 nan 8.280 nan 0.000 0.545 232 M N 2.807 121.886 119.600 -0.869 0.000 3.254 232 M HA 0.181 4.660 4.480 -0.000 0.000 0.257 232 M C -1.077 174.937 176.300 -0.477 0.000 1.490 232 M CA -0.400 54.422 55.300 -0.798 0.000 1.620 232 M CB -0.751 31.351 32.600 -0.830 0.000 1.157 232 M HN 0.282 nan 8.290 nan 0.000 0.541 233 V N 5.543 125.171 119.914 -0.475 0.000 2.427 233 V HA 0.174 4.293 4.120 -0.000 0.000 0.268 233 V C 0.225 176.220 176.094 -0.165 0.000 1.046 233 V CA -0.228 61.858 62.300 -0.356 0.000 0.970 233 V CB 0.749 32.377 31.823 -0.325 0.000 1.001 233 V HN 0.631 nan 8.190 nan 0.000 0.476 234 L N 5.313 126.454 121.223 -0.137 0.000 2.289 234 L HA 0.420 4.760 4.340 -0.000 0.000 0.285 234 L C 0.933 177.809 176.870 0.010 0.000 1.049 234 L CA -0.179 54.635 54.840 -0.044 0.000 0.804 234 L CB 1.715 43.751 42.059 -0.039 0.000 1.195 234 L HN 0.813 nan 8.230 nan 0.000 0.428 235 S N 1.012 116.726 115.700 0.022 0.000 2.563 235 S HA -0.058 4.412 4.470 -0.000 0.000 0.269 235 S C 1.358 175.991 174.600 0.056 0.000 1.364 235 S CA -0.038 58.179 58.200 0.029 0.000 1.010 235 S CB 0.920 64.134 63.200 0.024 0.000 0.877 235 S HN 0.781 nan 8.310 nan 0.000 0.549 236 S N 0.781 116.507 115.700 0.043 0.000 2.469 236 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 236 S C 1.761 176.398 174.600 0.062 0.000 0.998 236 S CA 0.996 59.226 58.200 0.051 0.000 0.957 236 S CB -1.146 62.072 63.200 0.030 0.000 0.764 236 S HN 1.130 nan 8.310 nan 0.000 0.514 237 S N 0.446 116.181 115.700 0.058 0.000 2.501 237 S HA 0.209 4.679 4.470 -0.000 0.000 0.220 237 S C 0.530 175.185 174.600 0.091 0.000 0.997 237 S CA -0.184 58.053 58.200 0.061 0.000 0.919 237 S CB -0.546 62.679 63.200 0.042 0.000 0.778 237 S HN 0.298 nan 8.310 nan 0.000 0.523 238 V N 3.854 123.839 119.914 0.119 0.000 2.446 238 V HA 0.248 4.368 4.120 -0.000 0.000 0.276 238 V C 1.348 177.596 176.094 0.257 0.000 1.030 238 V CA 0.691 63.098 62.300 0.178 0.000 1.033 238 V CB 0.459 32.392 31.823 0.182 0.000 0.993 238 V HN 0.709 nan 8.190 nan 0.000 0.477 239 T N 0.123 114.827 114.554 0.249 0.000 3.040 239 T HA 0.156 4.506 4.350 -0.000 0.000 0.266 239 T C -0.312 174.586 174.700 0.330 0.000 1.005 239 T CA -0.233 61.995 62.100 0.212 0.000 0.906 239 T CB 0.212 69.149 68.868 0.114 0.000 1.082 239 T HN 0.523 nan 8.240 nan 0.000 0.531 240 W N 1.346 122.767 121.300 0.202 0.000 3.326 240 W HA 0.680 5.340 4.660 -0.001 0.000 0.333 240 W C -2.378 174.280 176.519 0.232 0.000 1.108 240 W CA -2.006 55.468 57.345 0.216 0.000 1.245 240 W CB 1.502 31.030 29.460 0.114 0.000 1.331 240 W HN -0.035 nan 8.180 nan 0.000 0.464 241 V N 8.493 128.823 119.914 0.695 0.000 2.495 241 V HA 0.577 4.697 4.120 -0.000 0.000 0.298 241 V C -2.017 174.252 176.094 0.291 0.000 1.031 241 V CA -0.632 61.850 62.300 0.302 0.000 0.871 241 V CB 1.744 33.738 31.823 0.285 0.000 0.988 241 V HN 0.357 nan 8.190 nan 0.000 0.432 242 Y N 6.767 126.940 120.300 -0.212 0.000 2.376 242 Y HA 0.705 5.255 4.550 0.000 0.000 0.340 242 Y C -1.362 174.413 175.900 -0.208 0.000 0.965 242 Y CA -1.396 56.630 58.100 -0.124 0.000 1.078 242 Y CB 1.869 40.134 38.460 -0.325 0.000 1.193 242 Y HN 0.601 nan 8.280 nan 0.000 0.452 243 F N 5.633 125.336 119.950 -0.411 0.000 2.325 243 F HA 0.658 5.185 4.527 -0.000 0.000 0.369 243 F C 0.573 175.918 175.800 -0.759 0.000 1.095 243 F CA -0.744 57.034 58.000 -0.369 0.000 1.082 243 F CB 0.629 39.548 39.000 -0.135 0.000 1.289 243 F HN 0.713 nan 8.300 nan 0.000 0.462 244 A N 4.506 126.943 122.820 -0.638 0.000 2.466 244 A HA 0.439 4.759 4.320 -0.000 0.000 0.238 244 A C -2.458 174.955 177.584 -0.285 0.000 1.074 244 A CA -1.306 50.462 52.037 -0.448 0.000 0.774 244 A CB -0.210 18.776 19.000 -0.023 0.000 1.015 244 A HN 0.416 nan 8.150 nan 0.000 0.498 245 P HA 0.306 nan 4.420 nan 0.000 0.267 245 P C 0.893 177.596 177.300 -0.996 0.000 1.209 245 P CA 1.805 64.344 63.100 -0.936 0.000 0.763 245 P CB 0.782 31.885 31.700 -0.995 0.000 0.816 246 G N 2.183 110.276 108.800 -1.179 0.000 2.195 246 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.224 246 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.224 246 G C 0.253 175.177 174.900 0.041 0.000 0.990 246 G CA -0.052 44.715 45.100 -0.554 0.000 0.639 246 G HN 0.816 nan 8.290 nan 0.000 0.514 247 A N -0.207 122.669 122.820 0.093 0.000 2.290 247 A HA 0.745 5.065 4.320 -0.000 0.000 0.310 247 A C -0.854 176.958 177.584 0.381 0.000 1.202 247 A CA -0.434 51.797 52.037 0.323 0.000 0.837 247 A CB 0.939 20.083 19.000 0.239 0.000 1.139 247 A HN 1.270 nan 8.150 nan 0.000 0.509 248 Y N 2.672 123.151 120.300 0.298 0.000 2.363 248 Y HA 0.500 5.050 4.550 -0.000 0.000 0.325 248 Y C -1.005 175.006 175.900 0.186 0.000 0.984 248 Y CA -0.538 57.647 58.100 0.141 0.000 1.248 248 Y CB 1.639 40.059 38.460 -0.066 0.000 1.116 248 Y HN 0.429 nan 8.280 nan 0.000 0.470 249 V N 6.757 126.623 119.914 -0.080 0.000 2.357 249 V HA 0.354 4.473 4.120 -0.000 0.000 0.284 249 V C -0.603 175.452 176.094 -0.065 0.000 1.018 249 V CA -1.065 61.230 62.300 -0.009 0.000 0.841 249 V CB 1.326 33.047 31.823 -0.170 0.000 0.991 249 V HN 0.602 nan 8.190 nan 0.000 0.437 250 K N 4.069 124.554 120.400 0.142 0.000 2.267 250 K HA 0.693 5.013 4.320 -0.000 0.000 0.282 250 K C 0.469 177.201 176.600 0.221 0.000 1.078 250 K CA 0.050 56.414 56.287 0.127 0.000 0.903 250 K CB 1.334 33.949 32.500 0.193 0.000 1.111 250 K HN 0.978 nan 8.250 nan 0.000 0.475 251 G N 0.974 109.844 108.800 0.117 0.000 2.335 251 G HA2 0.548 4.507 3.960 -0.000 0.000 0.291 251 G HA3 0.548 4.507 3.960 -0.000 0.000 0.291 251 G C -1.926 173.016 174.900 0.070 0.000 1.261 251 G CA -0.424 44.761 45.100 0.142 0.000 0.871 251 G HN 0.589 nan 8.290 nan 0.000 0.491 252 A N -1.173 121.580 122.820 -0.111 0.000 2.520 252 A HA 0.784 5.104 4.320 -0.000 0.000 0.298 252 A C -1.079 176.349 177.584 -0.260 0.000 1.051 252 A CA -0.456 51.438 52.037 -0.237 0.000 0.690 252 A CB 1.908 20.729 19.000 -0.299 0.000 1.281 252 A HN 1.594 nan 8.150 nan 0.000 0.402 253 V N 1.572 121.291 119.914 -0.325 0.000 2.439 253 V HA 0.577 4.697 4.120 -0.000 0.000 0.282 253 V C 0.104 176.069 176.094 -0.214 0.000 1.039 253 V CA -0.220 61.926 62.300 -0.256 0.000 0.913 253 V CB 1.401 33.136 31.823 -0.146 0.000 0.983 253 V HN 0.920 nan 8.190 nan 0.000 0.460 254 E N 3.926 123.958 120.200 -0.279 0.000 2.283 254 E HA 0.437 4.787 4.350 -0.000 0.000 0.258 254 E C -1.617 174.801 176.600 -0.303 0.000 0.893 254 E CA -0.554 55.701 56.400 -0.242 0.000 0.798 254 E CB 1.131 30.805 29.700 -0.042 0.000 1.242 254 E HN 0.502 nan 8.360 nan 0.000 0.414 255 F N 3.997 123.833 119.950 -0.190 0.000 2.396 255 F HA 0.249 4.776 4.527 -0.000 0.000 0.343 255 F C 1.196 176.898 175.800 -0.164 0.000 1.104 255 F CA -0.377 57.544 58.000 -0.132 0.000 1.161 255 F CB 0.947 39.877 39.000 -0.117 0.000 1.146 255 F HN 0.514 nan 8.300 nan 0.000 0.522 256 L N 0.998 122.283 121.223 0.102 0.000 2.556 256 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 256 L C 1.080 177.976 176.870 0.044 0.000 1.089 256 L CA 0.107 54.964 54.840 0.027 0.000 0.864 256 L CB 0.103 42.169 42.059 0.012 0.000 1.067 256 L HN 0.568 nan 8.230 nan 0.000 0.477 257 S N 0.335 116.094 115.700 0.099 0.000 2.549 257 S HA 0.020 4.490 4.470 -0.000 0.000 0.286 257 S C 1.118 175.738 174.600 0.034 0.000 1.314 257 S CA 0.111 58.351 58.200 0.068 0.000 1.062 257 S CB 0.587 63.840 63.200 0.089 0.000 0.865 257 S HN 0.385 nan 8.310 nan 0.000 0.498 258 T N 2.126 116.695 114.554 0.023 0.000 3.174 258 T HA 0.584 4.934 4.350 -0.000 0.000 0.269 258 T C 0.497 175.206 174.700 0.014 0.000 1.017 258 T CA -0.023 62.089 62.100 0.020 0.000 0.899 258 T CB 0.014 68.890 68.868 0.012 0.000 1.077 258 T HN 0.725 nan 8.240 nan 0.000 0.552 259 A N 1.806 124.632 122.820 0.010 0.000 2.346 259 A HA 0.542 4.862 4.320 -0.000 0.000 0.255 259 A C 1.938 179.516 177.584 -0.010 0.000 1.113 259 A CA 0.127 52.164 52.037 0.001 0.000 0.798 259 A CB 0.055 19.058 19.000 0.004 0.000 1.073 259 A HN 0.624 nan 8.150 nan 0.000 0.502 260 S N -0.966 114.723 115.700 -0.019 0.000 2.442 260 S HA -0.069 4.400 4.470 -0.000 0.000 0.236 260 S C 0.513 175.086 174.600 -0.046 0.000 1.007 260 S CA 1.443 59.625 58.200 -0.031 0.000 0.965 260 S CB -0.229 62.951 63.200 -0.033 0.000 0.773 260 S HN 0.830 nan 8.310 nan 0.000 0.504 261 E N 0.051 120.220 120.200 -0.052 0.000 2.335 261 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 261 E C -1.662 174.880 176.600 -0.098 0.000 0.918 261 E CA -0.952 55.401 56.400 -0.078 0.000 0.765 261 E CB 2.368 32.007 29.700 -0.103 0.000 1.218 261 E HN 0.225 nan 8.360 nan 0.000 0.425 262 V N 1.169 120.998 119.914 -0.140 0.000 2.588 262 V HA 0.725 4.844 4.120 -0.000 0.000 0.304 262 V C -0.754 175.237 176.094 -0.171 0.000 1.042 262 V CA -0.855 61.252 62.300 -0.323 0.000 0.877 262 V CB 1.520 32.839 31.823 -0.840 0.000 0.996 262 V HN 0.697 nan 8.190 nan 0.000 0.425 263 K N 3.145 123.520 120.400 -0.040 0.000 2.422 263 K HA 0.895 5.214 4.320 -0.000 0.000 0.251 263 K C -1.002 175.878 176.600 0.467 0.000 0.933 263 K CA -0.429 55.895 56.287 0.061 0.000 0.798 263 K CB 2.332 34.654 32.500 -0.295 0.000 1.238 263 K HN 1.237 nan 8.250 nan 0.000 0.428 264 A N 2.357 125.422 122.820 0.408 0.000 2.357 264 A HA 0.616 4.935 4.320 -0.000 0.000 0.295 264 A C -0.979 176.826 177.584 0.368 0.000 1.121 264 A CA -0.494 51.896 52.037 0.589 0.000 0.742 264 A CB 1.037 20.385 19.000 0.580 0.000 1.181 264 A HN 0.816 nan 8.150 nan 0.000 0.454 265 S N 1.220 117.269 115.700 0.581 0.000 2.794 265 S HA 0.986 5.456 4.470 -0.000 0.000 0.299 265 S C 0.061 174.936 174.600 0.458 0.000 1.179 265 S CA -0.221 58.246 58.200 0.446 0.000 0.838 265 S CB 1.033 64.523 63.200 0.483 0.000 1.206 265 S HN 2.689 nan 8.310 nan 0.000 0.523 266 G N 0.044 109.024 108.800 0.301 0.000 2.629 266 G HA2 0.100 4.060 3.960 -0.000 0.000 0.686 266 G HA3 0.100 4.060 3.960 -0.000 0.000 0.686 266 G C -0.770 174.117 174.900 -0.022 0.000 1.232 266 G CA -0.380 44.786 45.100 0.111 0.000 0.803 266 G HN 1.047 nan 8.290 nan 0.000 0.638 267 H N 0.329 119.425 119.070 0.044 0.000 2.519 267 H HA 0.431 4.987 4.556 -0.000 0.000 0.289 267 H C 1.732 177.100 175.328 0.066 0.000 1.040 267 H CA 0.801 56.907 56.048 0.098 0.000 1.165 267 H CB 0.280 30.153 29.762 0.185 0.000 1.462 267 H HN 0.812 nan 8.280 nan 0.000 0.555 268 G N -0.077 108.760 108.800 0.061 0.000 2.588 268 G HA2 0.351 4.310 3.960 -0.000 0.000 0.278 268 G HA3 0.351 4.310 3.960 -0.000 0.000 0.278 268 G C -0.558 174.354 174.900 0.019 0.000 1.307 268 G CA -0.390 44.749 45.100 0.065 0.000 1.016 268 G HN 0.143 nan 8.290 nan 0.000 0.503 269 V N -0.001 119.875 119.914 -0.062 0.000 2.513 269 V HA 0.443 4.563 4.120 -0.000 0.000 0.299 269 V C -0.585 175.211 176.094 -0.496 0.000 1.035 269 V CA -0.635 61.501 62.300 -0.273 0.000 0.889 269 V CB 1.540 33.146 31.823 -0.362 0.000 0.988 269 V HN 0.563 nan 8.190 nan 0.000 0.440 270 L N 4.372 125.272 121.223 -0.538 0.000 2.318 270 L HA 0.674 5.013 4.340 -0.000 0.000 0.277 270 L C -0.086 176.552 176.870 -0.386 0.000 1.008 270 L CA 0.455 54.965 54.840 -0.550 0.000 0.846 270 L CB 1.507 43.122 42.059 -0.740 0.000 1.220 270 L HN 0.676 nan 8.230 nan 0.000 0.423 271 S N 2.694 118.192 115.700 -0.336 0.000 2.454 271 S HA 0.700 5.170 4.470 -0.000 0.000 0.306 271 S C 0.728 175.321 174.600 -0.011 0.000 1.100 271 S CA -0.116 57.988 58.200 -0.160 0.000 1.087 271 S CB 1.334 64.445 63.200 -0.149 0.000 1.019 271 S HN 0.840 nan 8.310 nan 0.000 0.480 272 G N 2.887 111.737 108.800 0.083 0.000 3.523 272 G HA2 0.134 4.094 3.960 -0.000 0.000 0.270 272 G HA3 0.134 4.094 3.960 -0.000 0.000 0.270 272 G C 0.915 175.950 174.900 0.226 0.000 1.134 272 G CA -0.062 45.194 45.100 0.259 0.000 0.825 272 G HN 0.896 nan 8.290 nan 0.000 0.534 273 E N 0.019 120.304 120.200 0.141 0.000 2.267 273 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 273 E C 1.640 178.286 176.600 0.076 0.000 0.998 273 E CA 0.786 57.278 56.400 0.153 0.000 0.830 273 E CB -0.163 29.636 29.700 0.163 0.000 0.751 273 E HN 0.539 nan 8.360 nan 0.000 0.491 274 Q N -0.220 119.514 119.800 -0.110 0.000 2.432 274 Q HA 0.023 4.362 4.340 -0.000 0.000 0.205 274 Q C -0.319 175.553 176.000 -0.214 0.000 0.945 274 Q CA 0.301 55.976 55.803 -0.213 0.000 0.924 274 Q CB 0.135 28.660 28.738 -0.355 0.000 1.016 274 Q HN 0.340 nan 8.270 nan 0.000 0.503 275 Y N 0.679 121.060 120.300 0.136 0.000 2.308 275 Y HA 0.189 4.738 4.550 -0.000 0.000 0.329 275 Y C 0.597 176.606 175.900 0.182 0.000 1.111 275 Y CA -1.546 56.636 58.100 0.138 0.000 1.179 275 Y CB 0.546 39.072 38.460 0.110 0.000 1.201 275 Y HN -0.194 nan 8.280 nan 0.000 0.483 276 V N -0.244 119.853 119.914 0.304 0.000 3.185 276 V HA 0.130 4.250 4.120 -0.000 0.000 0.305 276 V C -0.066 176.105 176.094 0.128 0.000 1.090 276 V CA -1.494 60.949 62.300 0.238 0.000 1.107 276 V CB 0.453 32.392 31.823 0.193 0.000 1.061 276 V HN 0.861 nan 8.190 nan 0.000 0.480 277 W N 3.017 124.140 121.300 -0.295 0.000 2.231 277 W HA 0.238 4.898 4.660 -0.000 0.000 0.341 277 W C 0.326 176.692 176.519 -0.254 0.000 1.298 277 W CA 0.313 57.313 57.345 -0.575 0.000 1.266 277 W CB -0.449 28.420 29.460 -0.984 0.000 1.172 277 W HN 0.793 nan 8.180 nan 0.000 0.568 278 Y N 2.132 121.797 120.300 -1.059 0.000 4.177 278 Y HA -0.283 4.267 4.550 -0.000 0.000 0.227 278 Y C 0.837 176.320 175.900 -0.695 0.000 1.154 278 Y CA 0.338 57.732 58.100 -1.176 0.000 1.887 278 Y CB -1.771 35.763 38.460 -1.543 0.000 1.594 278 Y HN 0.642 nan 8.280 nan 0.000 0.668 279 A N 1.214 123.886 122.820 -0.247 0.000 2.548 279 A HA 0.264 4.583 4.320 -0.000 0.000 0.247 279 A C 0.383 177.816 177.584 -0.252 0.000 1.067 279 A CA 0.643 52.603 52.037 -0.127 0.000 0.757 279 A CB 0.037 19.074 19.000 0.061 0.000 0.996 279 A HN 0.373 nan 8.150 nan 0.000 0.504 280 D N 3.611 123.857 120.400 -0.256 0.000 2.373 280 D HA 0.382 5.021 4.640 -0.000 0.000 0.227 280 D C -1.899 174.092 176.300 -0.515 0.000 1.091 280 D CA -2.059 51.734 54.000 -0.345 0.000 0.840 280 D CB 1.489 42.121 40.800 -0.280 0.000 1.060 280 D HN 0.128 nan 8.370 nan 0.000 0.502 281 P HA -0.086 nan 4.420 nan 0.000 0.218 281 P C 0.417 177.334 177.300 -0.638 0.000 1.146 281 P CA 0.892 63.318 63.100 -1.125 0.000 0.813 281 P CB 0.388 31.663 31.700 -0.708 0.000 0.778 282 D N -0.908 119.267 120.400 -0.375 0.000 2.340 282 D HA -0.012 4.628 4.640 -0.000 0.000 0.220 282 D C 0.475 176.673 176.300 -0.170 0.000 1.039 282 D CA 0.679 54.549 54.000 -0.218 0.000 0.866 282 D CB 0.064 40.766 40.800 -0.163 0.000 0.913 282 D HN 0.364 nan 8.370 nan 0.000 0.523 283 E N -0.196 119.884 120.200 -0.200 0.000 3.646 283 E HA 0.333 4.683 4.350 -0.000 0.000 0.211 283 E C 0.484 177.044 176.600 -0.066 0.000 1.034 283 E CA -0.438 55.891 56.400 -0.119 0.000 1.341 283 E CB 0.953 30.578 29.700 -0.126 0.000 1.202 283 E HN 0.065 nan 8.360 nan 0.000 0.447 284 G N 0.949 109.733 108.800 -0.026 0.000 2.187 284 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.261 284 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.261 284 G C 0.326 175.407 174.900 0.301 0.000 1.000 284 G CA 0.718 45.905 45.100 0.144 0.000 0.718 284 G HN 0.567 nan 8.290 nan 0.000 0.519 285 Y N -2.207 118.114 120.300 0.036 0.000 4.668 285 Y HA -0.265 4.285 4.550 -0.000 0.000 0.234 285 Y C 1.426 177.348 175.900 0.037 0.000 1.056 285 Y CA 1.477 59.604 58.100 0.045 0.000 2.025 285 Y CB -1.872 36.685 38.460 0.161 0.000 1.613 285 Y HN 0.703 nan 8.280 nan 0.000 0.653 286 Q N 0.776 120.629 119.800 0.089 0.000 2.318 286 Q HA 0.235 4.574 4.340 -0.000 0.000 0.222 286 Q C 0.518 176.495 176.000 -0.039 0.000 1.003 286 Q CA -0.920 54.912 55.803 0.049 0.000 0.936 286 Q CB 0.711 29.461 28.738 0.020 0.000 1.204 286 Q HN 0.222 nan 8.270 nan 0.000 0.524 287 K N 0.549 120.918 120.400 -0.052 0.000 2.489 287 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 287 K C -0.662 175.785 176.600 -0.257 0.000 1.000 287 K CA -0.148 56.041 56.287 -0.164 0.000 1.012 287 K CB 0.379 32.804 32.500 -0.125 0.000 0.903 287 K HN 0.659 nan 8.250 nan 0.000 0.485 288 A N 3.925 126.487 122.820 -0.430 0.000 2.566 288 A HA -0.009 4.310 4.320 -0.000 0.000 0.245 288 A C 1.190 178.530 177.584 -0.407 0.000 1.056 288 A CA 0.389 52.142 52.037 -0.473 0.000 0.757 288 A CB 0.112 18.657 19.000 -0.757 0.000 0.979 288 A HN 0.946 nan 8.150 nan 0.000 0.508 289 S N 1.736 117.280 115.700 -0.261 0.000 2.392 289 S HA -0.028 4.441 4.470 -0.000 0.000 0.232 289 S C 1.120 175.599 174.600 -0.202 0.000 1.041 289 S CA 1.526 59.615 58.200 -0.184 0.000 1.026 289 S CB -0.174 62.948 63.200 -0.129 0.000 0.845 289 S HN 1.297 nan 8.310 nan 0.000 0.465 290 G N -1.169 107.472 108.800 -0.265 0.000 2.725 290 G HA2 0.601 4.560 3.960 -0.000 0.000 0.288 290 G HA3 0.601 4.560 3.960 -0.000 0.000 0.288 290 G C -0.798 173.867 174.900 -0.392 0.000 1.399 290 G CA -0.341 44.614 45.100 -0.241 0.000 0.859 290 G HN 0.233 nan 8.290 nan 0.000 0.479 291 A N 0.527 123.179 122.820 -0.281 0.000 3.046 291 A HA 0.212 4.532 4.320 -0.000 0.000 0.259 291 A C 1.310 178.847 177.584 -0.078 0.000 1.843 291 A CA 0.163 52.048 52.037 -0.254 0.000 1.451 291 A CB -1.031 17.983 19.000 0.023 0.000 1.025 291 A HN 0.697 nan 8.150 nan 0.000 0.625 292 N N 0.572 119.167 118.700 -0.176 0.000 2.521 292 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 292 N C 0.481 175.993 175.510 0.004 0.000 1.146 292 N CA 0.629 53.634 53.050 -0.075 0.000 0.893 292 N CB -0.578 37.832 38.487 -0.128 0.000 0.975 292 N HN 0.532 nan 8.380 nan 0.000 0.451 293 N N -0.896 117.887 118.700 0.138 0.000 2.753 293 N HA -0.267 4.473 4.740 -0.000 0.000 0.251 293 N C -0.619 174.883 175.510 -0.014 0.000 1.097 293 N CA 1.038 54.169 53.050 0.135 0.000 0.786 293 N CB -1.857 36.675 38.487 0.075 0.000 1.137 293 N HN 0.525 nan 8.380 nan 0.000 0.566 294 N N -0.302 118.329 118.700 -0.115 0.000 2.320 294 N HA 0.303 5.043 4.740 -0.000 0.000 0.237 294 N C 0.338 175.623 175.510 -0.376 0.000 1.129 294 N CA 0.519 53.451 53.050 -0.197 0.000 0.854 294 N CB 0.002 38.387 38.487 -0.170 0.000 1.083 294 N HN 0.437 nan 8.380 nan 0.000 0.504 295 G N 0.312 108.603 108.800 -0.849 0.000 2.491 295 G HA2 0.178 4.138 3.960 -0.000 0.000 0.238 295 G HA3 0.178 4.138 3.960 -0.000 0.000 0.238 295 G C -0.192 174.442 174.900 -0.444 0.000 1.277 295 G CA -0.428 44.031 45.100 -1.069 0.000 0.851 295 G HN 0.355 nan 8.290 nan 0.000 0.573 296 L N 1.340 122.332 121.223 -0.386 0.000 2.477 296 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 296 L C 0.790 177.532 176.870 -0.213 0.000 1.157 296 L CA -0.186 54.436 54.840 -0.363 0.000 0.889 296 L CB 0.217 41.951 42.059 -0.542 0.000 1.158 296 L HN 0.433 nan 8.230 nan 0.000 0.473 297 R N 4.088 124.487 120.500 -0.168 0.000 2.531 297 R HA 0.294 4.634 4.340 -0.000 0.000 0.273 297 R C 1.045 177.239 176.300 -0.176 0.000 1.070 297 R CA -0.325 55.727 56.100 -0.080 0.000 1.112 297 R CB 0.661 30.962 30.300 0.001 0.000 1.049 297 R HN 0.613 nan 8.270 nan 0.000 0.508 298 M N 0.198 119.689 119.600 -0.181 0.000 2.349 298 M HA 0.046 4.525 4.480 -0.000 0.000 0.266 298 M C -0.399 175.528 176.300 -0.622 0.000 1.076 298 M CA 0.927 55.963 55.300 -0.440 0.000 1.126 298 M CB -0.018 32.283 32.600 -0.499 0.000 1.392 298 M HN 0.438 nan 8.290 nan 0.000 0.440 299 W N 0.570 121.913 121.300 0.071 0.000 2.619 299 W HA 0.520 5.180 4.660 -0.000 0.000 0.327 299 W C -0.149 176.372 176.519 0.004 0.000 1.027 299 W CA -0.842 56.561 57.345 0.096 0.000 1.233 299 W CB 1.197 30.837 29.460 0.300 0.000 1.370 299 W HN -0.111 nan 8.180 nan 0.000 0.453 300 R N 2.119 122.590 120.500 -0.048 0.000 2.673 300 R HA 0.870 5.209 4.340 -0.000 0.000 0.281 300 R C -0.563 175.172 176.300 -0.942 0.000 0.991 300 R CA -0.489 55.385 56.100 -0.377 0.000 0.896 300 R CB 1.763 31.938 30.300 -0.209 0.000 1.201 300 R HN 0.617 nan 8.270 nan 0.000 0.457 301 G N 0.321 108.101 108.800 -1.700 0.000 2.727 301 G HA2 0.619 4.579 3.960 -0.000 0.000 0.289 301 G HA3 0.619 4.579 3.960 -0.000 0.000 0.289 301 G C -1.455 172.732 174.900 -1.189 0.000 1.418 301 G CA -0.498 43.509 45.100 -1.822 0.000 0.818 301 G HN 0.516 nan 8.290 nan 0.000 0.486 302 T N -0.219 113.975 114.554 -0.600 0.000 2.903 302 T HA 0.647 4.997 4.350 -0.000 0.000 0.299 302 T C -1.172 173.525 174.700 -0.006 0.000 1.093 302 T CA -0.362 61.612 62.100 -0.210 0.000 1.002 302 T CB 1.855 70.645 68.868 -0.130 0.000 1.127 302 T HN 0.639 nan 8.240 nan 0.000 0.488 303 L N 1.153 122.405 121.223 0.048 0.000 2.401 303 L HA 0.854 5.193 4.340 -0.000 0.000 0.266 303 L C 0.508 177.388 176.870 0.016 0.000 0.991 303 L CA -0.314 54.560 54.840 0.057 0.000 0.818 303 L CB 1.596 43.697 42.059 0.070 0.000 1.321 303 L HN 0.785 nan 8.230 nan 0.000 0.413 304 G N 1.273 110.078 108.800 0.009 0.000 3.372 304 G HA2 0.054 4.013 3.960 -0.000 0.000 0.178 304 G HA3 0.054 4.013 3.960 -0.000 0.000 0.178 304 G C 0.347 175.246 174.900 -0.003 0.000 1.817 304 G CA 0.342 45.443 45.100 0.001 0.000 0.996 304 G HN 0.736 nan 8.290 nan 0.000 0.559 305 N N -0.280 118.418 118.700 -0.004 0.000 2.214 305 N HA 0.096 4.835 4.740 -0.000 0.000 0.214 305 N C 0.036 175.540 175.510 -0.010 0.000 1.132 305 N CA 0.267 53.313 53.050 -0.006 0.000 0.856 305 N CB 0.453 38.938 38.487 -0.004 0.000 1.020 305 N HN 0.322 nan 8.380 nan 0.000 0.509 306 S N -0.961 114.732 115.700 -0.011 0.000 2.536 306 S HA 0.569 5.039 4.470 -0.000 0.000 0.298 306 S C -0.239 174.348 174.600 -0.022 0.000 1.083 306 S CA -0.666 57.525 58.200 -0.015 0.000 0.995 306 S CB 1.662 64.855 63.200 -0.012 0.000 1.058 306 S HN 0.071 nan 8.310 nan 0.000 0.488 307 S N 1.572 117.254 115.700 -0.030 0.000 2.563 307 S HA 0.237 4.707 4.470 -0.000 0.000 0.284 307 S C -0.111 174.464 174.600 -0.042 0.000 1.331 307 S CA -0.320 57.854 58.200 -0.044 0.000 1.047 307 S CB 0.218 63.390 63.200 -0.046 0.000 0.859 307 S HN 0.779 nan 8.310 nan 0.000 0.514 308 Q N 0.842 120.608 119.800 -0.057 0.000 2.315 308 Q HA 0.421 4.761 4.340 -0.000 0.000 0.273 308 Q C -1.688 174.263 176.000 -0.081 0.000 1.053 308 Q CA -0.544 55.232 55.803 -0.046 0.000 0.817 308 Q CB 1.650 30.394 28.738 0.009 0.000 1.326 308 Q HN 0.590 nan 8.270 nan 0.000 0.423 309 T N 3.534 118.045 114.554 -0.072 0.000 2.779 309 T HA 0.397 4.747 4.350 -0.000 0.000 0.280 309 T C -1.303 173.368 174.700 -0.049 0.000 0.987 309 T CA -0.304 61.742 62.100 -0.091 0.000 0.966 309 T CB 0.353 69.159 68.868 -0.103 0.000 0.933 309 T HN 0.414 nan 8.240 nan 0.000 0.442 310 F N 5.151 124.931 119.950 -0.284 0.000 2.361 310 F HA 0.567 5.094 4.527 -0.000 0.000 0.364 310 F C -0.743 174.890 175.800 -0.279 0.000 1.120 310 F CA -1.610 56.212 58.000 -0.298 0.000 1.102 310 F CB 0.367 39.074 39.000 -0.487 0.000 1.183 310 F HN 0.224 nan 8.300 nan 0.000 0.476 311 V N 8.116 127.780 119.914 -0.416 0.000 2.364 311 V HA 0.337 4.457 4.120 -0.000 0.000 0.272 311 V C -0.699 174.931 176.094 -0.774 0.000 1.036 311 V CA -0.655 61.326 62.300 -0.533 0.000 0.880 311 V CB 1.104 32.729 31.823 -0.330 0.000 0.991 311 V HN 0.618 nan 8.190 nan 0.000 0.460 312 L N 5.816 126.485 121.223 -0.922 0.000 2.343 312 L HA 0.643 4.983 4.340 -0.000 0.000 0.278 312 L C -0.711 175.859 176.870 -0.500 0.000 0.996 312 L CA -0.002 54.297 54.840 -0.901 0.000 0.831 312 L CB 1.445 42.658 42.059 -1.410 0.000 1.232 312 L HN 0.720 nan 8.230 nan 0.000 0.413 313 N N 2.914 121.449 118.700 -0.274 0.000 2.336 313 N HA 0.622 5.362 4.740 -0.000 0.000 0.290 313 N C 0.639 176.076 175.510 -0.121 0.000 1.058 313 N CA 0.366 53.326 53.050 -0.151 0.000 0.865 313 N CB 1.817 40.252 38.487 -0.086 0.000 1.581 313 N HN 0.832 nan 8.380 nan 0.000 0.480 314 G N 0.890 109.576 108.800 -0.189 0.000 2.435 314 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.245 314 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.245 314 G C 0.135 174.837 174.900 -0.330 0.000 1.073 314 G CA 0.539 45.324 45.100 -0.526 0.000 0.638 314 G HN 0.616 nan 8.290 nan 0.000 0.521 315 V N 1.837 121.709 119.914 -0.070 0.000 2.901 315 V HA 0.381 4.501 4.120 -0.000 0.000 0.307 315 V C 0.941 177.034 176.094 -0.002 0.000 1.084 315 V CA 1.229 63.547 62.300 0.030 0.000 1.184 315 V CB 1.218 33.142 31.823 0.167 0.000 0.941 315 V HN 0.392 nan 8.190 nan 0.000 0.493 316 T N 4.301 118.811 114.554 -0.073 0.000 2.770 316 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 316 T C -0.344 174.237 174.700 -0.198 0.000 0.988 316 T CA -0.261 61.727 62.100 -0.188 0.000 0.957 316 T CB 1.333 70.178 68.868 -0.039 0.000 0.930 316 T HN 0.395 nan 8.240 nan 0.000 0.443 317 V N 3.359 123.137 119.914 -0.225 0.000 2.427 317 V HA 0.673 4.792 4.120 -0.000 0.000 0.286 317 V C 0.162 176.123 176.094 -0.222 0.000 1.034 317 V CA -0.311 61.898 62.300 -0.151 0.000 0.893 317 V CB 1.835 33.698 31.823 0.068 0.000 0.982 317 V HN 0.879 nan 8.190 nan 0.000 0.452 318 S N 3.666 119.255 115.700 -0.185 0.000 2.568 318 S HA 0.712 5.182 4.470 -0.000 0.000 0.293 318 S C 0.138 174.732 174.600 -0.009 0.000 1.089 318 S CA 0.150 58.263 58.200 -0.145 0.000 0.945 318 S CB 1.561 64.713 63.200 -0.080 0.000 1.077 318 S HN 2.218 nan 8.310 nan 0.000 0.485 319 A N 3.015 125.858 122.820 0.038 0.000 2.466 319 A HA -0.066 4.253 4.320 -0.000 0.000 0.295 319 A C -2.448 175.247 177.584 0.186 0.000 1.465 319 A CA 0.471 52.586 52.037 0.130 0.000 0.744 319 A CB -1.896 17.214 19.000 0.184 0.000 1.098 319 A HN 0.549 nan 8.150 nan 0.000 0.402 320 P HA 0.212 nan 4.420 nan 0.000 0.276 320 P C -1.965 175.533 177.300 0.329 0.000 1.230 320 P CA -1.340 61.861 63.100 0.168 0.000 0.776 320 P CB 0.702 32.463 31.700 0.100 0.000 0.888 321 P HA 0.086 nan 4.420 nan 0.000 0.245 321 P C 0.133 177.563 177.300 0.218 0.000 1.206 321 P CA 0.686 63.977 63.100 0.318 0.000 0.781 321 P CB 0.320 32.136 31.700 0.194 0.000 0.994 322 F N -0.950 118.962 119.950 -0.064 0.000 3.997 322 F HA 0.290 4.817 4.527 -0.000 0.000 0.333 322 F C -0.683 175.058 175.800 -0.098 0.000 1.122 322 F CA -1.049 56.819 58.000 -0.219 0.000 0.869 322 F CB 0.360 39.076 39.000 -0.474 0.000 1.747 322 F HN -0.440 nan 8.300 nan 0.000 0.518 323 N N 1.016 119.338 118.700 -0.630 0.000 2.407 323 N HA 0.040 4.779 4.740 -0.000 0.000 0.250 323 N C 0.544 176.003 175.510 -0.085 0.000 1.236 323 N CA 0.569 53.383 53.050 -0.394 0.000 0.879 323 N CB 1.113 39.357 38.487 -0.404 0.000 1.088 323 N HN 0.550 nan 8.380 nan 0.000 0.450 324 S N 2.597 118.294 115.700 -0.004 0.000 2.402 324 S HA -0.068 4.402 4.470 -0.000 0.000 0.229 324 S C 0.706 175.434 174.600 0.214 0.000 1.021 324 S CA 0.751 59.022 58.200 0.118 0.000 0.974 324 S CB 0.197 63.532 63.200 0.225 0.000 0.800 324 S HN 0.655 nan 8.310 nan 0.000 0.484 325 M N 0.839 120.562 119.600 0.206 0.000 2.426 325 M HA 0.450 4.930 4.480 -0.000 0.000 0.289 325 M C -2.687 173.781 176.300 0.281 0.000 1.168 325 M CA -0.141 55.353 55.300 0.323 0.000 0.933 325 M CB 2.072 34.964 32.600 0.487 0.000 1.750 325 M HN 0.102 nan 8.290 nan 0.000 0.494 326 D N 2.526 123.156 120.400 0.383 0.000 2.745 326 D HA 0.327 4.967 4.640 -0.000 0.000 0.221 326 D C -1.789 174.841 176.300 0.550 0.000 1.237 326 D CA -0.103 54.153 54.000 0.428 0.000 0.781 326 D CB 1.986 42.934 40.800 0.248 0.000 1.575 326 D HN 0.623 nan 8.370 nan 0.000 0.482 327 W N 0.638 122.065 121.300 0.212 0.000 2.509 327 W HA 0.419 5.079 4.660 -0.000 0.000 0.351 327 W C 0.454 176.982 176.519 0.015 0.000 1.107 327 W CA -0.639 56.737 57.345 0.052 0.000 1.264 327 W CB 2.157 31.556 29.460 -0.101 0.000 1.312 327 W HN 0.171 nan 8.180 nan 0.000 0.608 328 S N 0.665 116.407 115.700 0.070 0.000 2.549 328 S HA 0.864 5.334 4.470 -0.000 0.000 0.297 328 S C -0.320 174.299 174.600 0.031 0.000 1.115 328 S CA 0.016 58.234 58.200 0.030 0.000 1.059 328 S CB 1.373 64.549 63.200 -0.039 0.000 1.046 328 S HN 0.774 nan 8.310 nan 0.000 0.506 329 G N 2.851 111.667 108.800 0.027 0.000 2.352 329 G HA2 0.077 4.036 3.960 -0.000 0.000 0.305 329 G HA3 0.077 4.036 3.960 -0.000 0.000 0.305 329 G C -0.312 174.598 174.900 0.015 0.000 1.537 329 G CA -0.797 44.312 45.100 0.015 0.000 0.959 329 G HN 0.631 nan 8.290 nan 0.000 0.668 330 N N -0.861 117.844 118.700 0.009 0.000 2.376 330 N HA 0.070 4.810 4.740 -0.000 0.000 0.177 330 N C 1.066 176.586 175.510 0.015 0.000 1.024 330 N CA 0.966 54.024 53.050 0.014 0.000 0.893 330 N CB 0.170 38.663 38.487 0.010 0.000 0.980 330 N HN 0.617 nan 8.380 nan 0.000 0.439 331 S N 0.293 115.992 115.700 -0.001 0.000 2.252 331 S HA 0.303 4.773 4.470 -0.000 0.000 0.187 331 S C 0.340 174.905 174.600 -0.058 0.000 1.587 331 S CA -0.568 57.627 58.200 -0.008 0.000 1.215 331 S CB 0.700 63.894 63.200 -0.010 0.000 1.085 331 S HN -0.039 nan 8.310 nan 0.000 0.466 332 L N 1.657 122.842 121.223 -0.063 0.000 2.376 332 L HA 0.104 4.443 4.340 -0.000 0.000 0.219 332 L C 1.745 178.440 176.870 -0.292 0.000 1.133 332 L CA 1.263 55.955 54.840 -0.248 0.000 0.816 332 L CB -0.688 41.278 42.059 -0.156 0.000 0.933 332 L HN 0.557 nan 8.230 nan 0.000 0.449 333 D N -0.631 119.722 120.400 -0.078 0.000 2.350 333 D HA -0.064 4.575 4.640 -0.000 0.000 0.216 333 D C 1.963 178.213 176.300 -0.084 0.000 0.968 333 D CA 0.739 54.720 54.000 -0.032 0.000 0.894 333 D CB 0.286 41.125 40.800 0.066 0.000 0.909 333 D HN 0.336 nan 8.370 nan 0.000 0.520 334 L N 0.396 121.548 121.223 -0.118 0.000 2.592 334 L HA 0.200 4.540 4.340 -0.000 0.000 0.227 334 L C 0.821 177.598 176.870 -0.154 0.000 1.127 334 L CA 0.047 54.825 54.840 -0.104 0.000 0.884 334 L CB 0.250 42.266 42.059 -0.071 0.000 1.065 334 L HN -0.160 nan 8.230 nan 0.000 0.457 335 I N -0.876 119.531 120.570 -0.272 0.000 2.488 335 I HA 0.264 4.434 4.170 -0.000 0.000 0.299 335 I C 0.279 176.266 176.117 -0.218 0.000 0.984 335 I CA 0.010 61.103 61.300 -0.344 0.000 1.250 335 I CB 1.848 39.395 38.000 -0.754 0.000 1.389 335 I HN -0.187 nan 8.210 nan 0.000 0.488 336 T N 4.273 118.727 114.554 -0.166 0.000 2.916 336 T HA 0.523 4.872 4.350 -0.000 0.000 0.305 336 T C -1.354 173.274 174.700 -0.121 0.000 1.119 336 T CA -0.345 61.695 62.100 -0.100 0.000 1.008 336 T CB 0.891 69.707 68.868 -0.086 0.000 1.129 336 T HN 0.661 nan 8.240 nan 0.000 0.480 337 C N 4.003 123.231 119.300 -0.120 0.000 2.456 337 C HA 0.792 5.252 4.460 -0.000 0.000 0.325 337 C C -0.305 174.557 174.990 -0.214 0.000 1.217 337 C CA -1.060 57.844 59.018 -0.189 0.000 1.687 337 C CB 0.955 28.575 27.740 -0.199 0.000 2.270 337 C HN 0.735 nan 8.230 nan 0.000 0.499 338 R N 2.220 122.541 120.500 -0.298 0.000 2.407 338 R HA 0.533 4.873 4.340 -0.000 0.000 0.298 338 R C -1.439 174.648 176.300 -0.355 0.000 1.166 338 R CA -0.234 55.708 56.100 -0.263 0.000 1.006 338 R CB 1.290 31.455 30.300 -0.225 0.000 1.145 338 R HN 0.594 nan 8.270 nan 0.000 0.538 339 V N 3.077 122.802 119.914 -0.315 0.000 2.459 339 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 339 V C -0.052 175.905 176.094 -0.227 0.000 1.029 339 V CA -0.612 61.476 62.300 -0.353 0.000 0.874 339 V CB 2.222 33.818 31.823 -0.379 0.000 0.985 339 V HN 0.545 nan 8.190 nan 0.000 0.438 340 D N 2.893 123.173 120.400 -0.199 0.000 2.859 340 D HA 0.230 4.869 4.640 -0.000 0.000 0.223 340 D C -0.736 175.518 176.300 -0.077 0.000 1.218 340 D CA -0.342 53.588 54.000 -0.118 0.000 0.850 340 D CB 2.208 42.953 40.800 -0.091 0.000 1.656 340 D HN 0.692 nan 8.370 nan 0.000 0.484 341 D N 1.284 121.651 120.400 -0.055 0.000 2.689 341 D HA -0.273 4.367 4.640 -0.000 0.000 0.237 341 D C -1.385 174.877 176.300 -0.064 0.000 1.148 341 D CA 0.992 54.971 54.000 -0.036 0.000 0.656 341 D CB -1.431 39.400 40.800 0.052 0.000 1.050 341 D HN 0.349 nan 8.370 nan 0.000 0.426 342 Y N 0.253 120.402 120.300 -0.253 0.000 2.468 342 Y HA 0.627 5.176 4.550 -0.000 0.000 0.342 342 Y C -0.678 175.017 175.900 -0.341 0.000 1.021 342 Y CA -0.769 57.162 58.100 -0.282 0.000 1.079 342 Y CB 1.250 39.541 38.460 -0.281 0.000 1.226 342 Y HN -0.110 nan 8.280 nan 0.000 0.460 343 K N 3.724 123.454 120.400 -1.117 0.000 2.464 343 K HA 0.392 4.712 4.320 -0.000 0.000 0.253 343 K C -1.691 174.367 176.600 -0.904 0.000 0.933 343 K CA -0.878 54.845 56.287 -0.940 0.000 0.801 343 K CB 2.079 33.963 32.500 -1.026 0.000 1.271 343 K HN 0.614 nan 8.250 nan 0.000 0.430 344 Q N 2.059 121.603 119.800 -0.426 0.000 2.327 344 Q HA 0.602 4.942 4.340 -0.000 0.000 0.270 344 Q C -1.071 174.928 176.000 -0.002 0.000 1.022 344 Q CA -0.826 54.869 55.803 -0.181 0.000 0.773 344 Q CB 1.440 30.221 28.738 0.073 0.000 1.251 344 Q HN 0.588 nan 8.270 nan 0.000 0.457 345 V N 0.227 120.035 119.914 -0.177 0.000 3.126 345 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 345 V C 0.657 176.602 176.094 -0.248 0.000 1.138 345 V CA -0.081 62.079 62.300 -0.233 0.000 1.034 345 V CB 1.343 32.771 31.823 -0.658 0.000 1.075 345 V HN 0.971 nan 8.190 nan 0.000 0.442 346 G N 0.609 109.192 108.800 -0.361 0.000 2.321 346 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.287 346 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.287 346 G C 0.484 175.197 174.900 -0.312 0.000 1.018 346 G CA 0.548 45.418 45.100 -0.383 0.000 0.855 346 G HN 2.229 nan 8.290 nan 0.000 0.507 347 A N -0.369 122.358 122.820 -0.155 0.000 3.126 347 A HA 0.711 5.031 4.320 -0.000 0.000 0.268 347 A C 0.946 178.347 177.584 -0.305 0.000 1.605 347 A CA -0.227 51.712 52.037 -0.164 0.000 1.305 347 A CB -0.334 18.585 19.000 -0.135 0.000 1.160 347 A HN 0.452 nan 8.150 nan 0.000 0.609 348 F N -0.343 119.590 119.950 -0.028 0.000 2.661 348 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 348 F C 0.459 176.209 175.800 -0.084 0.000 1.137 348 F CA 0.285 58.238 58.000 -0.078 0.000 1.454 348 F CB -0.211 38.712 39.000 -0.128 0.000 1.103 348 F HN 0.429 nan 8.300 nan 0.000 0.577 349 Y N 0.726 121.133 120.300 0.179 0.000 2.326 349 Y HA 0.420 4.970 4.550 -0.000 0.000 0.333 349 Y C 1.120 177.052 175.900 0.052 0.000 1.240 349 Y CA -1.224 56.922 58.100 0.078 0.000 1.365 349 Y CB -0.123 38.490 38.460 0.256 0.000 1.289 349 Y HN -0.106 nan 8.280 nan 0.000 0.548 350 G N 0.113 109.001 108.800 0.147 0.000 2.606 350 G HA2 0.268 4.228 3.960 -0.000 0.000 0.252 350 G HA3 0.268 4.228 3.960 -0.000 0.000 0.252 350 G C -0.500 174.621 174.900 0.369 0.000 1.206 350 G CA -0.528 44.679 45.100 0.178 0.000 0.861 350 G HN 0.830 nan 8.290 nan 0.000 0.561 351 Q N -1.643 118.280 119.800 0.205 0.000 2.481 351 Q HA -0.195 4.145 4.340 -0.000 0.000 0.272 351 Q C 0.536 176.461 176.000 -0.125 0.000 1.157 351 Q CA 0.907 56.720 55.803 0.017 0.000 0.935 351 Q CB -2.102 26.619 28.738 -0.029 0.000 1.338 351 Q HN 0.783 nan 8.270 nan 0.000 0.494 352 T N -2.092 112.454 114.554 -0.012 0.000 3.540 352 T HA 0.313 4.663 4.350 -0.000 0.000 0.269 352 T C -0.056 174.585 174.700 -0.098 0.000 1.481 352 T CA -0.759 61.321 62.100 -0.033 0.000 1.224 352 T CB 0.170 69.060 68.868 0.035 0.000 1.192 352 T HN 0.018 nan 8.240 nan 0.000 0.756 353 D N 1.777 122.087 120.400 -0.150 0.000 2.419 353 D HA 0.368 5.008 4.640 -0.000 0.000 0.236 353 D C 1.276 177.480 176.300 -0.159 0.000 1.165 353 D CA 0.291 54.200 54.000 -0.152 0.000 0.882 353 D CB 0.301 41.014 40.800 -0.144 0.000 1.201 353 D HN 0.517 nan 8.370 nan 0.000 0.443 354 G N 0.006 108.628 108.800 -0.297 0.000 2.570 354 G HA2 0.358 4.317 3.960 -0.000 0.000 0.276 354 G HA3 0.358 4.317 3.960 -0.000 0.000 0.276 354 G C 0.102 174.936 174.900 -0.111 0.000 1.346 354 G CA -0.719 44.114 45.100 -0.445 0.000 1.034 354 G HN 0.399 nan 8.290 nan 0.000 0.512 355 L N -0.182 121.087 121.223 0.077 0.000 2.476 355 L HA 0.211 4.550 4.340 -0.000 0.000 0.264 355 L C 0.491 177.319 176.870 -0.070 0.000 1.224 355 L CA -0.391 54.507 54.840 0.096 0.000 0.821 355 L CB 0.362 42.500 42.059 0.131 0.000 1.101 355 L HN 0.356 nan 8.230 nan 0.000 0.488 356 E N 2.031 122.145 120.200 -0.144 0.000 2.249 356 E HA 0.331 4.681 4.350 -0.000 0.000 0.280 356 E C -0.707 175.600 176.600 -0.489 0.000 1.016 356 E CA -0.127 56.053 56.400 -0.366 0.000 0.830 356 E CB 1.631 30.962 29.700 -0.615 0.000 1.081 356 E HN 0.419 nan 8.360 nan 0.000 0.395 357 M N 3.621 123.004 119.600 -0.362 0.000 2.065 357 M HA 0.236 4.716 4.480 -0.000 0.000 0.332 357 M C -0.954 175.222 176.300 -0.207 0.000 0.988 357 M CA -0.628 54.533 55.300 -0.232 0.000 0.944 357 M CB 0.336 32.915 32.600 -0.035 0.000 1.357 357 M HN 0.326 nan 8.290 nan 0.000 0.388 358 Y N 1.816 121.986 120.300 -0.218 0.000 2.335 358 Y HA 0.203 4.753 4.550 -0.000 0.000 0.348 358 Y C -1.844 173.933 175.900 -0.206 0.000 1.280 358 Y CA -1.829 55.981 58.100 -0.483 0.000 1.504 358 Y CB -0.420 37.711 38.460 -0.549 0.000 1.366 358 Y HN 0.430 nan 8.280 nan 0.000 0.621 359 P HA -0.027 nan 4.420 nan 0.000 0.261 359 P C 0.592 177.905 177.300 0.022 0.000 1.165 359 P CA 2.292 65.436 63.100 0.073 0.000 0.759 359 P CB 0.105 31.845 31.700 0.068 0.000 0.772 360 G N 1.596 110.413 108.800 0.029 0.000 2.179 360 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 360 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 360 G C 0.431 175.323 174.900 -0.013 0.000 0.977 360 G CA 0.200 45.300 45.100 0.000 0.000 0.641 360 G HN 0.602 nan 8.290 nan 0.000 0.533 361 T N 0.805 115.355 114.554 -0.007 0.000 2.946 361 T HA 0.420 4.770 4.350 -0.000 0.000 0.311 361 T C 0.632 175.318 174.700 -0.023 0.000 1.063 361 T CA 0.667 62.746 62.100 -0.034 0.000 1.139 361 T CB 0.802 69.646 68.868 -0.039 0.000 0.994 361 T HN 0.354 nan 8.240 nan 0.000 0.547 362 I N 3.872 124.407 120.570 -0.059 0.000 2.439 362 I HA 0.431 4.601 4.170 -0.000 0.000 0.283 362 I C -0.580 175.486 176.117 -0.085 0.000 1.023 362 I CA -0.553 60.716 61.300 -0.051 0.000 1.100 362 I CB 1.393 39.357 38.000 -0.059 0.000 1.238 362 I HN 0.364 nan 8.210 nan 0.000 0.445 363 L N 8.128 129.311 121.223 -0.067 0.000 2.362 363 L HA 0.607 4.946 4.340 -0.000 0.000 0.275 363 L C -1.089 175.730 176.870 -0.086 0.000 0.998 363 L CA 0.023 54.801 54.840 -0.102 0.000 0.820 363 L CB 1.490 43.487 42.059 -0.102 0.000 1.270 363 L HN 0.696 nan 8.230 nan 0.000 0.415 364 Q N 3.219 122.958 119.800 -0.101 0.000 2.435 364 Q HA 0.324 4.664 4.340 -0.000 0.000 0.282 364 Q C -1.596 174.346 176.000 -0.096 0.000 1.020 364 Q CA -0.841 54.909 55.803 -0.088 0.000 0.820 364 Q CB 1.899 30.597 28.738 -0.065 0.000 1.436 364 Q HN 0.711 nan 8.270 nan 0.000 0.395 365 D N 0.039 120.384 120.400 -0.091 0.000 2.828 365 D HA -0.102 4.538 4.640 -0.000 0.000 0.241 365 D C -1.033 175.199 176.300 -0.113 0.000 1.142 365 D CA 0.635 54.584 54.000 -0.085 0.000 0.755 365 D CB -1.184 39.572 40.800 -0.073 0.000 1.014 365 D HN 0.363 nan 8.370 nan 0.000 0.420 366 V N 0.921 120.742 119.914 -0.155 0.000 2.823 366 V HA 0.659 4.779 4.120 -0.000 0.000 0.312 366 V C -0.211 175.732 176.094 -0.252 0.000 1.072 366 V CA -0.992 61.150 62.300 -0.263 0.000 0.937 366 V CB 2.460 34.040 31.823 -0.405 0.000 1.013 366 V HN 0.226 nan 8.190 nan 0.000 0.430 367 F N 3.996 123.667 119.950 -0.466 0.000 2.467 367 F HA 0.730 5.257 4.527 -0.000 0.000 0.336 367 F C -1.457 174.158 175.800 -0.308 0.000 1.123 367 F CA -0.560 57.260 58.000 -0.300 0.000 0.964 367 F CB 1.277 40.108 39.000 -0.282 0.000 1.136 367 F HN 0.398 nan 8.300 nan 0.000 0.447 368 Y N 5.005 124.845 120.300 -0.767 0.000 2.331 368 Y HA 0.293 4.843 4.550 -0.000 0.000 0.334 368 Y C -0.881 174.717 175.900 -0.504 0.000 0.960 368 Y CA -0.952 56.865 58.100 -0.471 0.000 1.130 368 Y CB 0.972 39.265 38.460 -0.277 0.000 1.164 368 Y HN 0.597 nan 8.280 nan 0.000 0.458 369 H N 1.701 120.689 119.070 -0.136 0.000 2.581 369 H HA 0.595 5.151 4.556 -0.000 0.000 0.308 369 H C -0.943 174.322 175.328 -0.105 0.000 1.040 369 H CA -0.167 55.816 56.048 -0.109 0.000 1.231 369 H CB 1.163 30.865 29.762 -0.100 0.000 1.396 369 H HN 0.603 nan 8.280 nan 0.000 0.467 370 T N 3.074 117.400 114.554 -0.379 0.000 2.916 370 T HA 0.163 4.513 4.350 -0.000 0.000 0.305 370 T C -0.471 174.057 174.700 -0.287 0.000 1.119 370 T CA -0.743 61.163 62.100 -0.324 0.000 1.008 370 T CB 1.320 70.042 68.868 -0.243 0.000 1.129 370 T HN 0.669 nan 8.240 nan 0.000 0.480 371 D N 2.390 122.669 120.400 -0.202 0.000 2.525 371 D HA 0.344 4.984 4.640 -0.000 0.000 0.229 371 D C -0.011 176.282 176.300 -0.012 0.000 1.202 371 D CA 0.003 53.944 54.000 -0.098 0.000 0.828 371 D CB 0.286 41.053 40.800 -0.055 0.000 1.008 371 D HN 0.537 nan 8.370 nan 0.000 0.493 372 D N -1.027 119.357 120.400 -0.027 0.000 3.145 372 D HA 0.016 4.656 4.640 -0.000 0.000 0.345 372 D C -1.061 175.246 176.300 0.012 0.000 1.391 372 D CA -0.444 53.577 54.000 0.034 0.000 0.930 372 D CB 0.926 41.747 40.800 0.035 0.000 1.451 372 D HN -0.198 nan 8.370 nan 0.000 0.555 373 D N 0.361 120.799 120.400 0.064 0.000 2.662 373 D HA 0.102 4.742 4.640 -0.000 0.000 0.237 373 D C 0.810 177.050 176.300 -0.099 0.000 1.154 373 D CA 0.579 54.608 54.000 0.049 0.000 0.861 373 D CB 0.848 41.741 40.800 0.155 0.000 1.146 373 D HN 0.440 nan 8.370 nan 0.000 0.518 374 G N 2.792 111.512 108.800 -0.134 0.000 2.624 374 G HA2 0.016 3.976 3.960 -0.000 0.000 0.216 374 G HA3 0.016 3.976 3.960 -0.000 0.000 0.216 374 G C 0.586 175.268 174.900 -0.363 0.000 1.274 374 G CA -0.263 44.657 45.100 -0.300 0.000 0.856 374 G HN 0.466 nan 8.290 nan 0.000 0.555 375 L N 1.700 122.786 121.223 -0.229 0.000 2.270 375 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 375 L C -0.524 176.290 176.870 -0.094 0.000 1.059 375 L CA -0.329 54.377 54.840 -0.224 0.000 0.839 375 L CB 1.329 43.202 42.059 -0.311 0.000 1.221 375 L HN 0.143 nan 8.230 nan 0.000 0.431 376 K N 4.663 124.936 120.400 -0.211 0.000 2.250 376 K HA 0.266 4.586 4.320 -0.000 0.000 0.285 376 K C -0.022 176.394 176.600 -0.307 0.000 1.097 376 K CA -0.000 56.009 56.287 -0.463 0.000 0.913 376 K CB 0.990 32.986 32.500 -0.840 0.000 1.179 376 K HN 0.537 nan 8.250 nan 0.000 0.462 377 M N 4.535 124.182 119.600 0.079 0.000 3.213 377 M HA 0.098 4.578 4.480 -0.000 0.000 0.275 377 M C -0.847 175.660 176.300 0.345 0.000 1.424 377 M CA -0.083 55.394 55.300 0.295 0.000 1.561 377 M CB 0.154 32.959 32.600 0.342 0.000 1.109 377 M HN 0.601 nan 8.290 nan 0.000 0.552 378 Y N 1.605 121.955 120.300 0.083 0.000 2.445 378 Y HA 0.282 4.832 4.550 -0.000 0.000 0.247 378 Y C -0.704 174.860 175.900 -0.560 0.000 1.129 378 Y CA -0.568 57.399 58.100 -0.221 0.000 1.251 378 Y CB -0.112 38.135 38.460 -0.355 0.000 1.176 378 Y HN 0.384 nan 8.280 nan 0.000 0.522 379 Y N -1.265 119.173 120.300 0.231 0.000 2.545 379 Y HA 0.530 5.080 4.550 -0.000 0.000 0.348 379 Y C 0.534 176.486 175.900 0.086 0.000 1.002 379 Y CA -1.619 56.575 58.100 0.156 0.000 1.039 379 Y CB 1.426 39.987 38.460 0.168 0.000 1.271 379 Y HN -0.371 nan 8.280 nan 0.000 0.467 380 S N 1.726 117.556 115.700 0.218 0.000 2.614 380 S HA 0.108 4.578 4.470 -0.000 0.000 0.265 380 S C -0.071 174.579 174.600 0.082 0.000 1.303 380 S CA -0.571 57.687 58.200 0.097 0.000 1.000 380 S CB 0.038 63.275 63.200 0.062 0.000 0.935 380 S HN 0.810 nan 8.310 nan 0.000 0.551 381 N N -0.637 118.077 118.700 0.023 0.000 2.727 381 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 381 N C -1.033 174.497 175.510 0.034 0.000 1.048 381 N CA 0.367 53.424 53.050 0.012 0.000 0.714 381 N CB -1.658 36.836 38.487 0.011 0.000 0.959 381 N HN 0.285 nan 8.380 nan 0.000 0.544 382 V N 0.243 120.191 119.914 0.055 0.000 2.547 382 V HA 0.553 4.672 4.120 -0.000 0.000 0.299 382 V C 0.670 176.842 176.094 0.130 0.000 1.040 382 V CA -0.235 62.130 62.300 0.108 0.000 0.913 382 V CB 2.303 34.243 31.823 0.194 0.000 0.992 382 V HN 0.210 nan 8.190 nan 0.000 0.449 383 T N 3.696 118.329 114.554 0.133 0.000 2.890 383 T HA 0.715 5.065 4.350 -0.000 0.000 0.295 383 T C -0.454 174.336 174.700 0.151 0.000 0.993 383 T CA -0.317 61.871 62.100 0.147 0.000 0.979 383 T CB 1.453 70.359 68.868 0.064 0.000 0.967 383 T HN 0.934 nan 8.240 nan 0.000 0.441 384 A N 4.195 127.158 122.820 0.237 0.000 2.343 384 A HA 0.907 5.227 4.320 -0.000 0.000 0.308 384 A C -0.219 177.404 177.584 0.066 0.000 1.092 384 A CA -1.046 51.034 52.037 0.072 0.000 0.751 384 A CB 1.096 20.020 19.000 -0.128 0.000 1.203 384 A HN 0.918 nan 8.150 nan 0.000 0.452 385 R N 1.233 121.729 120.500 -0.005 0.000 2.739 385 R HA 0.673 5.013 4.340 -0.000 0.000 0.271 385 R C -0.731 175.534 176.300 -0.058 0.000 1.010 385 R CA -0.710 55.383 56.100 -0.012 0.000 0.897 385 R CB 0.737 31.045 30.300 0.013 0.000 1.236 385 R HN 0.704 nan 8.270 nan 0.000 0.466 386 N N 0.659 119.321 118.700 -0.064 0.000 2.648 386 N HA -0.169 4.571 4.740 -0.000 0.000 0.265 386 N C -1.210 174.247 175.510 -0.088 0.000 1.100 386 N CA 0.500 53.510 53.050 -0.066 0.000 0.715 386 N CB -0.962 37.494 38.487 -0.052 0.000 0.881 386 N HN 0.458 nan 8.380 nan 0.000 0.548 387 I N 0.635 121.130 120.570 -0.125 0.000 2.474 387 I HA 0.447 4.617 4.170 -0.000 0.000 0.294 387 I C 0.102 176.145 176.117 -0.122 0.000 1.005 387 I CA -1.094 60.123 61.300 -0.138 0.000 1.113 387 I CB 2.028 39.928 38.000 -0.166 0.000 1.289 387 I HN -0.140 nan 8.210 nan 0.000 0.436 388 V N 6.833 126.696 119.914 -0.086 0.000 2.357 388 V HA 0.443 4.563 4.120 -0.000 0.000 0.284 388 V C -0.207 175.748 176.094 -0.231 0.000 1.018 388 V CA -0.463 61.804 62.300 -0.055 0.000 0.841 388 V CB 1.623 33.557 31.823 0.185 0.000 0.991 388 V HN 0.691 nan 8.190 nan 0.000 0.437 389 M N 5.670 125.159 119.600 -0.185 0.000 2.253 389 M HA 0.444 4.924 4.480 -0.000 0.000 0.314 389 M C -1.623 174.637 176.300 -0.067 0.000 1.019 389 M CA -0.559 54.628 55.300 -0.188 0.000 0.932 389 M CB 1.774 34.314 32.600 -0.099 0.000 1.606 389 M HN 0.809 nan 8.290 nan 0.000 0.430 390 W N 6.647 127.813 121.300 -0.224 0.000 2.175 390 W HA 0.341 5.001 4.660 -0.000 0.000 0.350 390 W C -0.736 175.776 176.519 -0.012 0.000 0.877 390 W CA -0.865 56.499 57.345 0.031 0.000 1.544 390 W CB 0.461 30.068 29.460 0.245 0.000 1.585 390 W HN 0.609 nan 8.180 nan 0.000 0.347 391 K N 3.116 123.631 120.400 0.191 0.000 2.401 391 K HA 0.053 4.373 4.320 -0.000 0.000 0.278 391 K C 0.566 177.217 176.600 0.085 0.000 1.018 391 K CA 0.724 57.036 56.287 0.042 0.000 0.981 391 K CB 1.031 33.496 32.500 -0.060 0.000 0.933 391 K HN 0.492 nan 8.250 nan 0.000 0.477 392 E N 1.389 121.568 120.200 -0.034 0.000 3.145 392 E HA 0.127 4.477 4.350 -0.000 0.000 0.412 392 E C 0.265 176.785 176.600 -0.133 0.000 0.371 392 E CA 0.300 56.704 56.400 0.007 0.000 2.392 392 E CB 0.177 29.847 29.700 -0.050 0.000 2.126 392 E HN 0.638 nan 8.360 nan 0.000 0.483 393 S N -0.278 115.375 115.700 -0.079 0.000 2.666 393 S HA 0.232 4.702 4.470 -0.000 0.000 0.239 393 S C -0.395 174.256 174.600 0.085 0.000 1.031 393 S CA -0.296 57.861 58.200 -0.072 0.000 1.015 393 S CB 1.248 64.496 63.200 0.080 0.000 0.981 393 S HN 0.010 nan 8.310 nan 0.000 0.547 394 V N 1.414 121.389 119.914 0.103 0.000 2.876 394 V HA 0.885 5.005 4.120 -0.000 0.000 0.312 394 V C -0.034 176.224 176.094 0.273 0.000 1.085 394 V CA -0.618 61.825 62.300 0.237 0.000 0.945 394 V CB 1.043 32.968 31.823 0.170 0.000 1.017 394 V HN 0.472 nan 8.190 nan 0.000 0.428 395 A N 4.352 127.346 122.820 0.289 0.000 2.490 395 A HA -0.009 4.311 4.320 -0.000 0.000 0.684 395 A C -2.672 175.044 177.584 0.221 0.000 0.174 395 A CA -0.038 52.126 52.037 0.212 0.000 0.057 395 A CB -1.760 17.355 19.000 0.191 0.000 3.963 395 A HN 0.728 nan 8.150 nan 0.000 0.547 396 P HA 0.339 nan 4.420 nan 0.000 0.274 396 P C 1.088 178.417 177.300 0.048 0.000 1.256 396 P CA 0.261 63.379 63.100 0.030 0.000 0.795 396 P CB 0.651 32.314 31.700 -0.062 0.000 1.038 397 V N 0.736 120.648 119.914 -0.004 0.000 2.307 397 V HA -0.102 4.017 4.120 -0.000 0.000 0.245 397 V C 1.241 177.307 176.094 -0.047 0.000 1.045 397 V CA 1.576 63.853 62.300 -0.039 0.000 1.024 397 V CB -0.249 31.523 31.823 -0.086 0.000 0.651 397 V HN 0.306 nan 8.190 nan 0.000 0.449 398 V N 0.531 120.412 119.914 -0.055 0.000 2.459 398 V HA 0.530 4.649 4.120 -0.000 0.000 0.295 398 V C -0.575 175.609 176.094 0.150 0.000 1.029 398 V CA -0.557 61.780 62.300 0.063 0.000 0.874 398 V CB 1.780 33.616 31.823 0.021 0.000 0.985 398 V HN 0.485 nan 8.190 nan 0.000 0.438 399 E N 3.996 124.338 120.200 0.237 0.000 2.234 399 E HA 0.629 4.979 4.350 -0.000 0.000 0.266 399 E C -0.780 176.145 176.600 0.542 0.000 0.877 399 E CA -0.540 56.032 56.400 0.287 0.000 0.758 399 E CB 1.398 31.242 29.700 0.241 0.000 1.170 399 E HN 0.537 nan 8.360 nan 0.000 0.415 400 F N 2.285 122.373 119.950 0.230 0.000 2.697 400 F HA 0.657 5.184 4.527 -0.000 0.000 0.367 400 F C 0.125 175.982 175.800 0.096 0.000 1.300 400 F CA -0.503 57.661 58.000 0.273 0.000 1.121 400 F CB 0.108 39.249 39.000 0.235 0.000 1.188 400 F HN 0.424 nan 8.300 nan 0.000 0.511 401 G N -0.311 108.386 108.800 -0.172 0.000 2.940 401 G HA2 0.432 4.392 3.960 -0.000 0.000 0.164 401 G HA3 0.432 4.392 3.960 -0.000 0.000 0.164 401 G C -0.059 174.790 174.900 -0.084 0.000 1.326 401 G CA -0.032 44.873 45.100 -0.325 0.000 1.020 401 G HN 0.510 nan 8.290 nan 0.000 0.586 402 W N -1.626 119.647 121.300 -0.045 0.000 0.688 402 W HA -0.265 4.395 4.660 -0.000 0.000 0.217 402 W C 0.484 176.993 176.519 -0.018 0.000 0.919 402 W CA 1.305 58.656 57.345 0.009 0.000 0.341 402 W CB -1.141 28.289 29.460 -0.050 0.000 1.913 402 W HN 0.680 nan 8.180 nan 0.000 1.347 403 T N 0.652 115.283 114.554 0.128 0.000 3.032 403 T HA 0.293 4.643 4.350 -0.000 0.000 0.312 403 T C -2.595 172.096 174.700 -0.015 0.000 1.078 403 T CA -1.001 61.127 62.100 0.047 0.000 1.028 403 T CB 2.872 71.727 68.868 -0.022 0.000 1.091 403 T HN -0.254 nan 8.240 nan 0.000 0.457 404 P HA 0.346 nan 4.420 nan 0.000 0.268 404 P C -0.763 176.528 177.300 -0.014 0.000 1.204 404 P CA -0.356 62.734 63.100 -0.015 0.000 0.768 404 P CB 0.923 32.631 31.700 0.013 0.000 0.842 405 R N 1.685 122.175 120.500 -0.015 0.000 2.799 405 R HA 0.441 4.781 4.340 -0.000 0.000 0.270 405 R C -0.457 175.838 176.300 -0.009 0.000 1.010 405 R CA -0.944 55.144 56.100 -0.020 0.000 0.916 405 R CB 1.294 31.566 30.300 -0.047 0.000 1.228 405 R HN 0.343 nan 8.270 nan 0.000 0.469 406 N N 1.110 119.805 118.700 -0.008 0.000 2.527 406 N HA 0.273 5.013 4.740 -0.000 0.000 0.236 406 N C -1.338 174.167 175.510 -0.008 0.000 0.999 406 N CA 0.070 53.115 53.050 -0.007 0.000 0.935 406 N CB 1.795 40.283 38.487 0.002 0.000 1.132 406 N HN 0.420 nan 8.380 nan 0.000 0.511 407 T N 1.330 115.870 114.554 -0.023 0.000 2.881 407 T HA 0.441 4.791 4.350 -0.000 0.000 0.290 407 T C -0.296 174.363 174.700 -0.070 0.000 1.000 407 T CA -0.801 61.283 62.100 -0.027 0.000 0.978 407 T CB 1.888 70.744 68.868 -0.021 0.000 0.997 407 T HN 0.525 nan 8.240 nan 0.000 0.443 408 E N 1.913 122.075 120.200 -0.065 0.000 2.413 408 E HA 0.555 4.904 4.350 -0.000 0.000 0.277 408 E C -1.188 175.348 176.600 -0.106 0.000 0.958 408 E CA -1.231 55.106 56.400 -0.105 0.000 0.779 408 E CB 1.046 30.695 29.700 -0.085 0.000 1.278 408 E HN 0.382 nan 8.360 nan 0.000 0.456 409 N N -0.370 118.241 118.700 -0.148 0.000 2.663 409 N HA -0.112 4.628 4.740 -0.000 0.000 0.263 409 N C -1.312 174.112 175.510 -0.142 0.000 1.109 409 N CA 0.805 53.772 53.050 -0.139 0.000 0.701 409 N CB -1.303 37.131 38.487 -0.087 0.000 0.879 409 N HN 0.385 nan 8.380 nan 0.000 0.550 410 V N 0.873 120.648 119.914 -0.232 0.000 2.604 410 V HA 0.656 4.775 4.120 -0.000 0.000 0.305 410 V C 0.033 175.947 176.094 -0.300 0.000 1.043 410 V CA -0.915 61.229 62.300 -0.260 0.000 0.888 410 V CB 2.285 33.868 31.823 -0.402 0.000 0.995 410 V HN 0.354 nan 8.190 nan 0.000 0.429 411 L N 5.270 126.415 121.223 -0.131 0.000 2.404 411 L HA 0.711 5.050 4.340 -0.000 0.000 0.272 411 L C -1.692 175.375 176.870 0.328 0.000 0.980 411 L CA 0.003 54.838 54.840 -0.009 0.000 0.836 411 L CB 1.321 43.391 42.059 0.018 0.000 1.238 411 L HN 0.398 nan 8.230 nan 0.000 0.408 412 F N 3.231 123.329 119.950 0.248 0.000 2.402 412 F HA 0.549 5.076 4.527 -0.000 0.000 0.355 412 F C 0.045 176.086 175.800 0.401 0.000 1.123 412 F CA -1.140 57.084 58.000 0.372 0.000 1.021 412 F CB 1.459 40.857 39.000 0.663 0.000 1.160 412 F HN 0.521 nan 8.300 nan 0.000 0.451 413 D N 1.451 122.074 120.400 0.372 0.000 2.601 413 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 413 D C -0.310 176.020 176.300 0.050 0.000 1.106 413 D CA -0.362 53.779 54.000 0.235 0.000 0.873 413 D CB 1.332 42.225 40.800 0.156 0.000 1.515 413 D HN 0.603 nan 8.370 nan 0.000 0.468 414 N N 1.890 120.601 118.700 0.019 0.000 2.641 414 N HA -0.164 4.576 4.740 -0.000 0.000 0.267 414 N C -1.492 173.887 175.510 -0.217 0.000 1.087 414 N CA -0.034 52.975 53.050 -0.068 0.000 0.731 414 N CB -0.420 38.052 38.487 -0.026 0.000 0.886 414 N HN 0.119 nan 8.380 nan 0.000 0.547 415 V N 1.982 121.610 119.914 -0.478 0.000 2.350 415 V HA 0.239 4.359 4.120 -0.000 0.000 0.285 415 V C -0.024 175.800 176.094 -0.450 0.000 1.014 415 V CA -0.589 61.326 62.300 -0.642 0.000 0.831 415 V CB 1.490 32.495 31.823 -1.363 0.000 1.000 415 V HN 0.320 nan 8.190 nan 0.000 0.433 416 D N 4.336 124.588 120.400 -0.246 0.000 2.412 416 D HA 0.253 4.893 4.640 -0.000 0.000 0.224 416 D C -0.372 175.838 176.300 -0.150 0.000 1.093 416 D CA -0.216 53.689 54.000 -0.158 0.000 0.850 416 D CB 1.973 42.714 40.800 -0.098 0.000 1.046 416 D HN 0.288 nan 8.370 nan 0.000 0.507 417 V N 7.208 127.038 119.914 -0.140 0.000 2.313 417 V HA 0.050 4.170 4.120 -0.000 0.000 0.252 417 V C 1.903 177.895 176.094 -0.170 0.000 1.112 417 V CA -0.274 61.950 62.300 -0.126 0.000 0.984 417 V CB 0.010 31.783 31.823 -0.084 0.000 1.157 417 V HN 0.542 nan 8.190 nan 0.000 0.493 418 I N 0.549 120.988 120.570 -0.219 0.000 2.756 418 I HA 0.101 4.271 4.170 -0.000 0.000 0.262 418 I C 0.719 176.386 176.117 -0.750 0.000 1.225 418 I CA 1.148 62.199 61.300 -0.416 0.000 1.472 418 I CB -0.234 37.541 38.000 -0.375 0.000 1.094 418 I HN 0.553 nan 8.210 nan 0.000 0.454 419 H N -0.145 118.709 119.070 -0.360 0.000 3.046 419 H HA 0.582 5.138 4.556 -0.000 0.000 0.361 419 H C -1.263 173.934 175.328 -0.219 0.000 1.235 419 H CA -0.686 55.108 56.048 -0.423 0.000 1.146 419 H CB 1.518 30.683 29.762 -0.996 0.000 1.859 419 H HN 0.126 nan 8.280 nan 0.000 0.548 420 Q N 0.757 120.566 119.800 0.015 0.000 2.340 420 Q HA 0.702 5.042 4.340 -0.000 0.000 0.276 420 Q C -1.345 174.637 176.000 -0.030 0.000 1.048 420 Q CA -0.876 54.894 55.803 -0.055 0.000 0.832 420 Q CB 3.005 31.758 28.738 0.024 0.000 1.373 420 Q HN 0.687 nan 8.270 nan 0.000 0.409 421 A N 1.881 124.620 122.820 -0.135 0.000 3.106 421 A HA 0.375 4.695 4.320 -0.000 0.000 0.227 421 A C -1.268 176.342 177.584 0.043 0.000 0.920 421 A CA -0.337 51.712 52.037 0.020 0.000 1.088 421 A CB 0.139 19.212 19.000 0.121 0.000 1.233 421 A HN 0.596 nan 8.150 nan 0.000 0.503 422 Y N -0.779 119.608 120.300 0.145 0.000 2.459 422 Y HA 0.273 4.823 4.550 -0.000 0.000 0.349 422 Y C 1.541 177.522 175.900 0.135 0.000 1.266 422 Y CA 1.214 59.391 58.100 0.128 0.000 1.483 422 Y CB 0.791 39.308 38.460 0.094 0.000 1.362 422 Y HN 0.386 nan 8.280 nan 0.000 0.628 423 A N 0.942 123.945 122.820 0.305 0.000 2.074 423 A HA 0.227 4.547 4.320 -0.000 0.000 0.200 423 A C 0.094 177.776 177.584 0.165 0.000 1.335 423 A CA 0.443 52.605 52.037 0.208 0.000 0.922 423 A CB 0.096 19.197 19.000 0.169 0.000 0.972 423 A HN 0.796 nan 8.150 nan 0.000 0.475 424 N N -2.872 115.925 118.700 0.161 0.000 3.227 424 N HA 0.304 5.044 4.740 -0.000 0.000 0.241 424 N C 0.582 176.149 175.510 0.095 0.000 1.480 424 N CA 0.094 53.212 53.050 0.114 0.000 0.886 424 N CB 0.819 39.366 38.487 0.100 0.000 1.406 424 N HN 0.124 nan 8.380 nan 0.000 0.514 425 A N 0.154 123.023 122.820 0.082 0.000 2.024 425 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 425 A C 1.911 179.553 177.584 0.097 0.000 1.164 425 A CA 2.230 54.319 52.037 0.086 0.000 0.643 425 A CB -1.382 17.683 19.000 0.108 0.000 0.806 425 A HN 0.836 nan 8.150 nan 0.000 0.451 426 G N -0.421 108.438 108.800 0.099 0.000 2.535 426 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 426 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 426 G C 1.181 176.156 174.900 0.124 0.000 1.122 426 G CA 0.907 46.072 45.100 0.108 0.000 0.769 426 G HN 0.746 nan 8.290 nan 0.000 0.549 427 N N 0.617 119.393 118.700 0.128 0.000 2.494 427 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 427 N C 0.072 175.659 175.510 0.130 0.000 1.076 427 N CA 0.003 53.154 53.050 0.168 0.000 0.908 427 N CB 0.082 38.723 38.487 0.257 0.000 0.967 427 N HN 0.020 nan 8.380 nan 0.000 0.449 428 N N 0.546 119.281 118.700 0.058 0.000 2.726 428 N HA -0.101 4.639 4.740 -0.000 0.000 0.253 428 N C -2.736 172.693 175.510 -0.135 0.000 1.059 428 N CA 0.486 53.533 53.050 -0.004 0.000 0.701 428 N CB -0.760 37.737 38.487 0.017 0.000 0.899 428 N HN 0.348 nan 8.380 nan 0.000 0.548 429 P HA 0.485 nan 4.420 nan 0.000 0.277 429 P C 0.607 177.574 177.300 -0.555 0.000 1.271 429 P CA 0.549 63.123 63.100 -0.876 0.000 0.795 429 P CB 1.086 32.081 31.700 -1.174 0.000 1.101 430 G N -0.849 107.625 108.800 -0.543 0.000 2.402 430 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.666 430 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.666 430 G C 0.344 175.104 174.900 -0.233 0.000 1.402 430 G CA -0.513 44.399 45.100 -0.313 0.000 0.920 430 G HN 0.336 nan 8.290 nan 0.000 0.651 431 I N -0.171 120.223 120.570 -0.293 0.000 2.193 431 I HA 0.125 4.295 4.170 -0.000 0.000 0.240 431 I C 0.764 176.413 176.117 -0.780 0.000 1.084 431 I CA 1.109 62.079 61.300 -0.549 0.000 1.365 431 I CB -0.091 37.429 38.000 -0.800 0.000 1.064 431 I HN 0.294 nan 8.210 nan 0.000 0.410 432 F N 1.042 120.861 119.950 -0.218 0.000 2.325 432 F HA 0.567 5.094 4.527 -0.000 0.000 0.369 432 F C 0.536 176.280 175.800 -0.093 0.000 1.095 432 F CA -0.704 57.104 58.000 -0.320 0.000 1.082 432 F CB 1.216 39.888 39.000 -0.548 0.000 1.289 432 F HN -0.166 nan 8.300 nan 0.000 0.462 433 G N 1.319 110.149 108.800 0.050 0.000 2.533 433 G HA2 0.778 4.738 3.960 -0.000 0.000 0.304 433 G HA3 0.778 4.738 3.960 -0.000 0.000 0.304 433 G C -1.741 172.960 174.900 -0.331 0.000 1.263 433 G CA -1.194 43.834 45.100 -0.121 0.000 0.964 433 G HN 0.760 nan 8.290 nan 0.000 0.479 434 A N 0.724 123.215 122.820 -0.548 0.000 2.679 434 A HA 0.612 4.932 4.320 -0.000 0.000 0.288 434 A C 0.173 177.464 177.584 -0.489 0.000 1.160 434 A CA -0.217 51.340 52.037 -0.801 0.000 0.763 434 A CB 0.434 18.570 19.000 -1.441 0.000 1.270 434 A HN 1.996 nan 8.150 nan 0.000 0.417 435 V N 1.171 120.777 119.914 -0.514 0.000 3.697 435 V HA 0.379 4.499 4.120 -0.000 0.000 0.285 435 V C 0.795 176.684 176.094 -0.342 0.000 1.041 435 V CA -0.249 61.777 62.300 -0.457 0.000 1.045 435 V CB 0.069 31.371 31.823 -0.867 0.000 1.227 435 V HN 0.837 nan 8.190 nan 0.000 0.448 436 N N -0.022 118.587 118.700 -0.151 0.000 2.294 436 N HA 0.119 4.858 4.740 -0.000 0.000 0.248 436 N C 0.037 175.642 175.510 0.159 0.000 1.300 436 N CA -0.065 53.056 53.050 0.119 0.000 0.925 436 N CB 0.125 38.779 38.487 0.278 0.000 1.188 436 N HN 0.953 nan 8.380 nan 0.000 0.512 437 N N 0.518 119.424 118.700 0.344 0.000 2.416 437 N HA -0.056 4.684 4.740 -0.000 0.000 0.265 437 N C 0.295 176.069 175.510 0.439 0.000 1.195 437 N CA -0.115 53.173 53.050 0.397 0.000 0.943 437 N CB 0.250 39.045 38.487 0.514 0.000 1.115 437 N HN 0.525 nan 8.380 nan 0.000 0.481 438 Y N 4.342 124.898 120.300 0.426 0.000 2.241 438 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 438 Y C 1.442 177.396 175.900 0.089 0.000 1.166 438 Y CA 1.547 59.854 58.100 0.345 0.000 1.203 438 Y CB 0.089 38.649 38.460 0.167 0.000 0.977 438 Y HN 0.654 nan 8.280 nan 0.000 0.529 439 L N -1.480 119.795 121.223 0.087 0.000 2.191 439 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 439 L C 1.216 177.722 176.870 -0.606 0.000 1.103 439 L CA 1.520 56.165 54.840 -0.325 0.000 0.769 439 L CB -0.432 41.263 42.059 -0.607 0.000 0.908 439 L HN 0.308 nan 8.230 nan 0.000 0.438 440 Y N -1.788 118.572 120.300 0.100 0.000 2.430 440 Y HA 0.440 4.990 4.550 -0.000 0.000 0.254 440 Y C 0.903 176.833 175.900 0.050 0.000 1.088 440 Y CA -0.028 58.114 58.100 0.070 0.000 1.267 440 Y CB 0.525 39.045 38.460 0.099 0.000 1.204 440 Y HN -0.047 nan 8.280 nan 0.000 0.515 441 A N 1.118 124.038 122.820 0.167 0.000 3.266 441 A HA 0.370 4.689 4.320 -0.000 0.000 0.310 441 A C -2.085 175.551 177.584 0.086 0.000 1.066 441 A CA -1.079 51.038 52.037 0.134 0.000 0.839 441 A CB 0.239 19.362 19.000 0.205 0.000 1.192 441 A HN -0.050 nan 8.150 nan 0.000 0.496 442 P HA -0.215 nan 4.420 nan 0.000 0.218 442 P C 0.509 177.859 177.300 0.084 0.000 1.146 442 P CA 1.834 64.635 63.100 -0.498 0.000 0.813 442 P CB 0.115 31.442 31.700 -0.622 0.000 0.778 443 D N -1.657 118.851 120.400 0.180 0.000 2.340 443 D HA 0.084 4.723 4.640 -0.000 0.000 0.220 443 D C 1.519 178.020 176.300 0.334 0.000 1.039 443 D CA 0.550 54.719 54.000 0.282 0.000 0.866 443 D CB -0.955 39.950 40.800 0.175 0.000 0.913 443 D HN 0.254 nan 8.370 nan 0.000 0.523 444 G N -0.165 108.828 108.800 0.322 0.000 2.184 444 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 444 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 444 G C -0.222 174.698 174.900 0.034 0.000 0.975 444 G CA 0.486 45.584 45.100 -0.003 0.000 0.642 444 G HN 0.504 nan 8.290 nan 0.000 0.536 445 L N 1.002 122.292 121.223 0.111 0.000 2.376 445 L HA 0.860 5.200 4.340 -0.000 0.000 0.275 445 L C -0.317 176.615 176.870 0.103 0.000 0.987 445 L CA -0.211 54.697 54.840 0.112 0.000 0.828 445 L CB 2.120 44.243 42.059 0.106 0.000 1.249 445 L HN 0.547 nan 8.230 nan 0.000 0.409 446 S N 1.271 117.038 115.700 0.112 0.000 2.543 446 S HA 0.369 4.838 4.470 -0.000 0.000 0.274 446 S C 0.602 175.207 174.600 0.010 0.000 1.149 446 S CA 0.071 58.309 58.200 0.062 0.000 0.866 446 S CB 1.295 64.549 63.200 0.090 0.000 1.111 446 S HN 0.774 nan 8.310 nan 0.000 0.457 447 S N 2.551 118.168 115.700 -0.137 0.000 2.481 447 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 447 S C 0.706 174.909 174.600 -0.661 0.000 0.996 447 S CA 0.250 58.217 58.200 -0.388 0.000 0.942 447 S CB -0.490 62.531 63.200 -0.298 0.000 0.768 447 S HN 0.673 nan 8.310 nan 0.000 0.520 448 N N 2.245 120.739 118.700 -0.343 0.000 2.416 448 N HA 0.001 4.741 4.740 -0.000 0.000 0.265 448 N C -0.777 174.462 175.510 -0.451 0.000 1.195 448 N CA 0.259 53.102 53.050 -0.345 0.000 0.943 448 N CB -0.021 38.365 38.487 -0.169 0.000 1.115 448 N HN 0.553 nan 8.380 nan 0.000 0.481 449 H N 1.118 119.712 119.070 -0.793 0.000 2.481 449 H HA 0.236 4.792 4.556 -0.000 0.000 0.273 449 H C -0.224 174.432 175.328 -1.119 0.000 1.145 449 H CA -0.399 54.562 56.048 -1.811 0.000 0.964 449 H CB 0.585 29.372 29.762 -1.625 0.000 1.722 449 H HN 0.347 nan 8.280 nan 0.000 0.573 450 S N 0.680 116.117 115.700 -0.439 0.000 2.668 450 S HA 0.021 4.491 4.470 -0.000 0.000 0.244 450 S C 0.996 175.597 174.600 0.002 0.000 1.140 450 S CA -0.279 57.879 58.200 -0.070 0.000 1.134 450 S CB 0.332 63.490 63.200 -0.070 0.000 0.954 450 S HN 0.563 nan 8.310 nan 0.000 0.490 451 T N -1.834 112.815 114.554 0.159 0.000 3.393 451 T HA 0.426 4.776 4.350 -0.000 0.000 0.298 451 T C 0.738 175.668 174.700 0.384 0.000 1.004 451 T CA -0.311 61.886 62.100 0.162 0.000 0.956 451 T CB 0.437 69.328 68.868 0.039 0.000 1.182 451 T HN 0.268 nan 8.240 nan 0.000 0.497 452 G N 0.966 110.050 108.800 0.472 0.000 2.543 452 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 452 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 452 G C -0.731 174.286 174.900 0.195 0.000 1.310 452 G CA -0.722 44.579 45.100 0.335 0.000 1.025 452 G HN 0.350 nan 8.290 nan 0.000 0.502 453 N N -0.742 118.030 118.700 0.120 0.000 2.531 453 N HA 0.131 4.871 4.740 -0.000 0.000 0.268 453 N C 1.009 176.560 175.510 0.068 0.000 1.023 453 N CA -0.191 52.914 53.050 0.091 0.000 0.896 453 N CB 1.768 40.297 38.487 0.070 0.000 1.233 453 N HN 0.333 nan 8.380 nan 0.000 0.512 454 S N 2.214 117.960 115.700 0.078 0.000 2.607 454 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 454 S C 0.690 175.315 174.600 0.041 0.000 0.969 454 S CA 0.258 58.495 58.200 0.062 0.000 0.927 454 S CB -0.039 63.208 63.200 0.078 0.000 0.772 454 S HN 0.493 nan 8.310 nan 0.000 0.533 455 N N 0.675 119.399 118.700 0.040 0.000 2.280 455 N HA 0.309 5.049 4.740 -0.000 0.000 0.192 455 N C -0.090 175.431 175.510 0.019 0.000 1.109 455 N CA 0.316 53.383 53.050 0.029 0.000 0.855 455 N CB 0.216 38.723 38.487 0.033 0.000 0.974 455 N HN 0.495 nan 8.380 nan 0.000 0.482 456 M N 0.038 119.647 119.600 0.015 0.000 2.598 456 M HA 0.356 4.836 4.480 -0.000 0.000 0.317 456 M C -0.641 175.653 176.300 -0.011 0.000 1.179 456 M CA -0.219 55.083 55.300 0.004 0.000 0.936 456 M CB 2.384 34.988 32.600 0.007 0.000 1.713 456 M HN -0.267 nan 8.290 nan 0.000 0.460 457 T N 1.049 115.591 114.554 -0.021 0.000 2.933 457 T HA 0.475 4.824 4.350 -0.000 0.000 0.305 457 T C -1.039 173.631 174.700 -0.050 0.000 1.092 457 T CA -0.601 61.476 62.100 -0.039 0.000 1.008 457 T CB 2.164 71.005 68.868 -0.045 0.000 1.102 457 T HN 0.373 nan 8.240 nan 0.000 0.469 458 V N 4.325 124.200 119.914 -0.065 0.000 2.347 458 V HA 0.621 4.741 4.120 -0.000 0.000 0.280 458 V C 0.239 176.242 176.094 -0.152 0.000 1.021 458 V CA -0.632 61.610 62.300 -0.096 0.000 0.847 458 V CB 0.732 32.512 31.823 -0.072 0.000 0.990 458 V HN 0.847 nan 8.190 nan 0.000 0.444 459 R N 3.173 123.571 120.500 -0.169 0.000 2.867 459 R HA 0.631 4.971 4.340 -0.000 0.000 0.268 459 R C -0.079 176.076 176.300 -0.242 0.000 1.014 459 R CA -0.915 55.069 56.100 -0.194 0.000 0.946 459 R CB 0.855 31.072 30.300 -0.139 0.000 1.208 459 R HN 0.453 nan 8.270 nan 0.000 0.477 460 N N 0.790 119.332 118.700 -0.264 0.000 2.642 460 N HA -0.137 4.603 4.740 -0.000 0.000 0.269 460 N C -1.367 173.915 175.510 -0.380 0.000 1.073 460 N CA 0.569 53.447 53.050 -0.286 0.000 0.748 460 N CB -0.464 37.899 38.487 -0.207 0.000 0.894 460 N HN 0.587 nan 8.380 nan 0.000 0.548 461 I N 1.140 121.383 120.570 -0.544 0.000 2.406 461 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 461 I C 0.417 175.979 176.117 -0.925 0.000 0.999 461 I CA -0.303 60.521 61.300 -0.793 0.000 1.124 461 I CB 1.556 38.914 38.000 -1.071 0.000 1.289 461 I HN 0.174 nan 8.210 nan 0.000 0.441 462 T N 5.922 119.990 114.554 -0.811 0.000 2.840 462 T HA 0.407 4.756 4.350 -0.000 0.000 0.287 462 T C -1.044 173.371 174.700 -0.475 0.000 0.991 462 T CA -0.370 61.355 62.100 -0.624 0.000 0.964 462 T CB 1.054 69.726 68.868 -0.326 0.000 0.954 462 T HN 0.315 nan 8.240 nan 0.000 0.438 463 W N 3.961 125.043 121.300 -0.364 0.000 2.363 463 W HA 0.496 5.156 4.660 -0.000 0.000 0.314 463 W C 0.281 176.738 176.519 -0.104 0.000 0.994 463 W CA -1.167 56.015 57.345 -0.271 0.000 1.449 463 W CB 0.465 29.417 29.460 -0.847 0.000 1.248 463 W HN 0.666 nan 8.180 nan 0.000 0.409 464 S N 1.619 117.556 115.700 0.396 0.000 2.568 464 S HA 0.411 4.880 4.470 -0.000 0.000 0.302 464 S C 0.311 175.187 174.600 0.459 0.000 1.082 464 S CA -0.651 57.742 58.200 0.322 0.000 1.009 464 S CB 1.676 64.970 63.200 0.157 0.000 1.069 464 S HN 0.438 nan 8.310 nan 0.000 0.500 465 N N 0.114 119.010 118.700 0.327 0.000 2.714 465 N HA -0.147 4.593 4.740 -0.000 0.000 0.253 465 N C -1.477 174.207 175.510 0.289 0.000 1.024 465 N CA 0.669 53.871 53.050 0.253 0.000 0.726 465 N CB -1.359 37.213 38.487 0.142 0.000 0.908 465 N HN 0.593 nan 8.380 nan 0.000 0.542 466 F N 0.801 120.837 119.950 0.143 0.000 2.385 466 F HA 0.417 4.944 4.527 -0.000 0.000 0.336 466 F C 1.289 177.129 175.800 0.068 0.000 1.100 466 F CA -0.263 57.806 58.000 0.115 0.000 1.116 466 F CB 1.083 40.189 39.000 0.177 0.000 1.166 466 F HN -0.146 nan 8.300 nan 0.000 0.511 467 R N 2.068 122.630 120.500 0.104 0.000 2.538 467 R HA 0.719 5.059 4.340 -0.000 0.000 0.292 467 R C -1.330 174.967 176.300 -0.006 0.000 1.008 467 R CA -1.024 55.106 56.100 0.050 0.000 0.896 467 R CB 1.937 32.236 30.300 -0.001 0.000 1.187 467 R HN 0.634 nan 8.270 nan 0.000 0.440 468 A N 3.311 126.126 122.820 -0.008 0.000 2.277 468 A HA 0.311 4.630 4.320 -0.000 0.000 0.318 468 A C -0.323 177.207 177.584 -0.090 0.000 1.339 468 A CA -0.621 51.384 52.037 -0.054 0.000 0.875 468 A CB 0.470 19.443 19.000 -0.045 0.000 1.158 468 A HN 0.720 nan 8.150 nan 0.000 0.514 469 E N 1.347 121.467 120.200 -0.135 0.000 2.343 469 E HA 0.500 4.850 4.350 -0.000 0.000 0.269 469 E C 0.982 177.487 176.600 -0.160 0.000 1.047 469 E CA 0.686 56.988 56.400 -0.163 0.000 0.874 469 E CB 1.078 30.637 29.700 -0.234 0.000 1.033 469 E HN 1.257 nan 8.360 nan 0.000 0.409 470 G N 1.977 110.705 108.800 -0.119 0.000 2.645 470 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.239 470 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.239 470 G C -0.172 174.701 174.900 -0.045 0.000 1.331 470 G CA -0.288 44.772 45.100 -0.067 0.000 0.890 470 G HN 0.763 nan 8.290 nan 0.000 0.572 471 S N -0.853 114.847 115.700 0.001 0.000 2.564 471 S HA 0.606 5.076 4.470 -0.000 0.000 0.278 471 S C 0.280 174.900 174.600 0.034 0.000 1.333 471 S CA 0.835 59.050 58.200 0.026 0.000 1.048 471 S CB 1.657 64.901 63.200 0.073 0.000 0.900 471 S HN 2.116 nan 8.310 nan 0.000 0.505 472 S N 1.418 117.131 115.700 0.021 0.000 2.632 472 S HA 0.732 5.201 4.470 -0.000 0.000 0.289 472 S C 0.063 174.770 174.600 0.177 0.000 1.115 472 S CA -0.446 57.786 58.200 0.053 0.000 0.889 472 S CB 1.315 64.468 63.200 -0.078 0.000 1.116 472 S HN 1.137 nan 8.310 nan 0.000 0.486 473 S N 2.328 118.141 115.700 0.189 0.000 2.646 473 S HA 0.783 5.253 4.470 -0.000 0.000 0.273 473 S C 0.646 175.342 174.600 0.159 0.000 1.168 473 S CA -0.307 57.972 58.200 0.131 0.000 1.013 473 S CB -0.049 63.074 63.200 -0.129 0.000 1.098 473 S HN 1.349 nan 8.310 nan 0.000 0.544 474 A N -0.068 122.769 122.820 0.028 0.000 2.507 474 A HA 0.279 4.599 4.320 -0.000 0.000 0.235 474 A C 1.096 178.670 177.584 -0.017 0.000 1.070 474 A CA -0.263 51.776 52.037 0.004 0.000 0.768 474 A CB -0.501 18.352 19.000 -0.246 0.000 1.011 474 A HN 1.065 nan 8.150 nan 0.000 0.502 475 L N 0.980 122.218 121.223 0.026 0.000 2.046 475 L HA 0.151 4.491 4.340 -0.000 0.000 0.208 475 L C 0.346 177.315 176.870 0.165 0.000 1.077 475 L CA 2.188 57.063 54.840 0.060 0.000 0.747 475 L CB -0.613 41.476 42.059 0.050 0.000 0.896 475 L HN 0.826 nan 8.230 nan 0.000 0.432 476 F N -2.450 117.474 119.950 -0.043 0.000 2.688 476 F HA 0.615 5.142 4.527 -0.000 0.000 0.308 476 F C -0.651 174.923 175.800 -0.377 0.000 1.117 476 F CA -1.285 56.662 58.000 -0.088 0.000 0.976 476 F CB 0.851 39.922 39.000 0.119 0.000 1.291 476 F HN -0.355 nan 8.300 nan 0.000 0.439 477 R N 3.920 124.198 120.500 -0.369 0.000 2.734 477 R HA 0.505 4.845 4.340 -0.000 0.000 0.268 477 R C -1.708 174.198 176.300 -0.657 0.000 1.785 477 R CA -0.399 55.002 56.100 -1.164 0.000 1.461 477 R CB 1.493 30.880 30.300 -1.521 0.000 1.308 477 R HN 0.717 nan 8.270 nan 0.000 0.586 478 I N 1.611 122.072 120.570 -0.182 0.000 2.354 478 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 478 I C -0.132 176.024 176.117 0.065 0.000 0.989 478 I CA -0.831 60.424 61.300 -0.075 0.000 1.188 478 I CB 1.573 39.601 38.000 0.046 0.000 1.342 478 I HN 0.227 nan 8.210 nan 0.000 0.457 479 N N 7.838 126.463 118.700 -0.125 0.000 2.457 479 N HA 0.283 5.023 4.740 -0.000 0.000 0.250 479 N C -2.477 172.624 175.510 -0.682 0.000 0.982 479 N CA -1.435 51.450 53.050 -0.275 0.000 0.941 479 N CB 1.707 40.014 38.487 -0.300 0.000 1.120 479 N HN 0.212 nan 8.380 nan 0.000 0.505 480 P HA 0.135 nan 4.420 nan 0.000 0.249 480 P C 1.189 178.040 177.300 -0.749 0.000 1.737 480 P CA -0.087 62.708 63.100 -0.507 0.000 1.128 480 P CB -0.384 31.143 31.700 -0.288 0.000 1.942 481 I N -1.257 118.795 120.570 -0.863 0.000 2.916 481 I HA -0.087 4.082 4.170 -0.000 0.000 0.267 481 I C 0.669 176.627 176.117 -0.265 0.000 1.263 481 I CA 0.698 61.541 61.300 -0.763 0.000 1.471 481 I CB -0.438 37.204 38.000 -0.598 0.000 1.089 481 I HN 0.177 nan 8.210 nan 0.000 0.468 482 Q N 1.219 120.901 119.800 -0.197 0.000 2.590 482 Q HA 0.331 4.671 4.340 -0.000 0.000 0.295 482 Q C -1.532 174.418 176.000 -0.085 0.000 0.973 482 Q CA -0.827 54.929 55.803 -0.079 0.000 0.768 482 Q CB 0.656 29.368 28.738 -0.044 0.000 1.479 482 Q HN 0.159 nan 8.270 nan 0.000 0.419 483 N N 0.904 119.571 118.700 -0.055 0.000 2.407 483 N HA 0.227 4.967 4.740 -0.000 0.000 0.250 483 N C -0.409 175.047 175.510 -0.090 0.000 1.236 483 N CA 0.392 53.397 53.050 -0.074 0.000 0.879 483 N CB 0.388 38.847 38.487 -0.047 0.000 1.088 483 N HN 0.419 nan 8.380 nan 0.000 0.450 484 L N 1.168 122.314 121.223 -0.127 0.000 2.341 484 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 484 L C -0.348 176.450 176.870 -0.120 0.000 1.005 484 L CA -0.802 53.965 54.840 -0.120 0.000 0.818 484 L CB 1.734 43.715 42.059 -0.129 0.000 1.259 484 L HN 0.450 nan 8.230 nan 0.000 0.418 485 D N 2.676 122.997 120.400 -0.130 0.000 2.990 485 D HA 0.179 4.819 4.640 -0.000 0.000 0.227 485 D C -0.204 175.988 176.300 -0.179 0.000 1.249 485 D CA -0.326 53.597 54.000 -0.128 0.000 0.891 485 D CB 1.325 42.062 40.800 -0.106 0.000 1.647 485 D HN 0.584 nan 8.370 nan 0.000 0.530 486 N N 3.050 121.641 118.700 -0.182 0.000 2.708 486 N HA -0.180 4.560 4.740 -0.000 0.000 0.255 486 N C -1.034 174.257 175.510 -0.366 0.000 1.046 486 N CA 0.149 53.051 53.050 -0.245 0.000 0.715 486 N CB -0.654 37.703 38.487 -0.217 0.000 0.895 486 N HN 0.442 nan 8.380 nan 0.000 0.545 487 I N 1.617 121.926 120.570 -0.436 0.000 2.339 487 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 487 I C 0.028 175.618 176.117 -0.878 0.000 0.994 487 I CA -0.459 60.409 61.300 -0.721 0.000 1.191 487 I CB 1.730 39.329 38.000 -0.668 0.000 1.343 487 I HN 0.106 nan 8.210 nan 0.000 0.458 488 S N 7.052 122.245 115.700 -0.845 0.000 2.503 488 S HA 0.643 5.113 4.470 -0.000 0.000 0.301 488 S C -0.353 173.842 174.600 -0.675 0.000 1.087 488 S CA -0.574 57.209 58.200 -0.695 0.000 1.042 488 S CB 2.010 64.936 63.200 -0.457 0.000 1.043 488 S HN 0.373 nan 8.310 nan 0.000 0.489 489 I N 2.896 123.133 120.570 -0.555 0.000 2.411 489 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 489 I C -0.587 175.412 176.117 -0.197 0.000 1.012 489 I CA -0.393 60.673 61.300 -0.391 0.000 1.119 489 I CB 1.280 39.017 38.000 -0.438 0.000 1.261 489 I HN 0.356 nan 8.210 nan 0.000 0.448 490 K N 6.149 126.495 120.400 -0.090 0.000 2.450 490 K HA 0.420 4.740 4.320 -0.000 0.000 0.257 490 K C -1.006 175.645 176.600 0.086 0.000 0.953 490 K CA -0.917 55.365 56.287 -0.008 0.000 0.844 490 K CB 1.337 33.821 32.500 -0.026 0.000 1.103 490 K HN 0.496 nan 8.250 nan 0.000 0.429 491 N N 1.142 119.912 118.700 0.118 0.000 2.394 491 N HA -0.165 4.575 4.740 -0.000 0.000 0.288 491 N C -1.467 174.182 175.510 0.231 0.000 1.501 491 N CA 0.399 53.548 53.050 0.164 0.000 0.707 491 N CB -0.333 38.235 38.487 0.135 0.000 0.936 491 N HN 0.415 nan 8.380 nan 0.000 0.475 492 V N 1.721 121.803 119.914 0.282 0.000 2.624 492 V HA 0.633 4.753 4.120 -0.000 0.000 0.294 492 V C -0.565 175.764 176.094 0.392 0.000 1.077 492 V CA -0.163 62.337 62.300 0.334 0.000 0.905 492 V CB 1.744 33.737 31.823 0.283 0.000 1.025 492 V HN 0.688 nan 8.190 nan 0.000 0.440 493 S N 7.370 123.226 115.700 0.261 0.000 2.454 493 S HA 0.788 5.258 4.470 -0.000 0.000 0.306 493 S C -0.677 173.990 174.600 0.112 0.000 1.100 493 S CA -0.704 57.606 58.200 0.182 0.000 1.087 493 S CB 1.615 64.870 63.200 0.092 0.000 1.019 493 S HN 0.681 nan 8.310 nan 0.000 0.480 494 I N 2.809 123.414 120.570 0.058 0.000 2.382 494 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 494 I C 1.392 177.413 176.117 -0.161 0.000 1.007 494 I CA -0.523 60.719 61.300 -0.096 0.000 1.142 494 I CB 1.578 39.426 38.000 -0.252 0.000 1.289 494 I HN 0.938 nan 8.210 nan 0.000 0.453 495 E N 4.926 125.051 120.200 -0.125 0.000 2.033 495 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 495 E C 0.424 176.950 176.600 -0.123 0.000 1.011 495 E CA 1.538 57.877 56.400 -0.103 0.000 0.815 495 E CB 0.342 29.991 29.700 -0.084 0.000 0.755 495 E HN 0.711 nan 8.360 nan 0.000 0.451 496 S N -2.097 113.508 115.700 -0.157 0.000 2.596 496 S HA 0.500 4.970 4.470 -0.000 0.000 0.270 496 S C -0.828 173.664 174.600 -0.179 0.000 1.155 496 S CA -1.090 57.040 58.200 -0.118 0.000 0.827 496 S CB 0.853 64.045 63.200 -0.014 0.000 1.130 496 S HN 0.140 nan 8.310 nan 0.000 0.467 497 F N 1.296 121.273 119.950 0.045 0.000 2.432 497 F HA 0.487 5.014 4.527 -0.000 0.000 0.329 497 F C 1.171 177.003 175.800 0.053 0.000 1.076 497 F CA -0.646 57.385 58.000 0.052 0.000 1.018 497 F CB 1.205 40.234 39.000 0.048 0.000 1.201 497 F HN 0.667 nan 8.300 nan 0.000 0.489 498 E N 2.827 123.210 120.200 0.305 0.000 2.391 498 E HA 0.107 4.457 4.350 -0.000 0.000 0.255 498 E C -2.204 174.495 176.600 0.165 0.000 1.187 498 E CA -1.630 54.889 56.400 0.199 0.000 0.941 498 E CB 0.010 29.829 29.700 0.199 0.000 1.010 498 E HN 0.212 nan 8.360 nan 0.000 0.458 499 P HA -0.106 nan 4.420 nan 0.000 0.264 499 P C 0.354 177.696 177.300 0.070 0.000 1.193 499 P CA 0.225 63.379 63.100 0.089 0.000 0.763 499 P CB 0.620 32.368 31.700 0.080 0.000 0.810 500 L N 4.232 125.481 121.223 0.044 0.000 2.353 500 L HA -0.167 4.173 4.340 -0.000 0.000 0.220 500 L C 2.318 179.201 176.870 0.023 0.000 1.133 500 L CA 2.130 56.977 54.840 0.013 0.000 0.798 500 L CB -1.083 40.971 42.059 -0.007 0.000 0.922 500 L HN 0.432 nan 8.230 nan 0.000 0.445 501 S N -0.625 115.097 115.700 0.036 0.000 2.436 501 S HA -0.109 4.360 4.470 -0.000 0.000 0.228 501 S C 1.822 176.450 174.600 0.047 0.000 1.014 501 S CA 0.873 59.096 58.200 0.037 0.000 0.950 501 S CB -0.841 62.383 63.200 0.039 0.000 0.784 501 S HN 0.627 nan 8.310 nan 0.000 0.504 502 I N -1.353 119.253 120.570 0.059 0.000 3.684 502 I HA 0.224 4.394 4.170 -0.000 0.000 0.304 502 I C -0.725 175.432 176.117 0.066 0.000 1.278 502 I CA -0.346 60.997 61.300 0.071 0.000 1.272 502 I CB -0.878 37.179 38.000 0.095 0.000 1.029 502 I HN -0.055 nan 8.210 nan 0.000 0.458 503 N N 2.936 121.667 118.700 0.051 0.000 2.614 503 N HA -0.171 4.569 4.740 -0.000 0.000 0.276 503 N C 0.631 176.167 175.510 0.044 0.000 1.119 503 N CA 1.353 54.430 53.050 0.046 0.000 0.742 503 N CB -1.180 37.340 38.487 0.055 0.000 0.900 503 N HN 0.832 nan 8.380 nan 0.000 0.549 504 T N -5.742 108.826 114.554 0.024 0.000 3.186 504 T HA 0.095 4.444 4.350 -0.000 0.000 0.292 504 T C 1.174 175.851 174.700 -0.038 0.000 0.915 504 T CA 0.513 62.600 62.100 -0.021 0.000 0.902 504 T CB 0.145 69.017 68.868 0.006 0.000 1.192 504 T HN 0.301 nan 8.240 nan 0.000 0.563 505 T N -0.837 113.702 114.554 -0.026 0.000 3.001 505 T HA 0.314 4.664 4.350 -0.000 0.000 0.251 505 T C 0.369 174.951 174.700 -0.196 0.000 1.040 505 T CA -0.224 61.842 62.100 -0.056 0.000 0.985 505 T CB -0.085 68.714 68.868 -0.115 0.000 1.011 505 T HN 0.393 nan 8.240 nan 0.000 0.509 506 E N 2.381 122.491 120.200 -0.149 0.000 2.223 506 E HA 0.391 4.741 4.350 -0.000 0.000 0.282 506 E C -0.668 175.805 176.600 -0.212 0.000 1.046 506 E CA -0.294 56.022 56.400 -0.141 0.000 0.857 506 E CB 0.950 30.638 29.700 -0.020 0.000 1.055 506 E HN 0.241 nan 8.360 nan 0.000 0.409 507 S N 4.448 119.943 115.700 -0.341 0.000 2.537 507 S HA 0.433 4.903 4.470 -0.000 0.000 0.275 507 S C -0.534 173.805 174.600 -0.434 0.000 1.272 507 S CA -0.793 56.979 58.200 -0.714 0.000 1.050 507 S CB 0.490 62.936 63.200 -1.256 0.000 0.961 507 S HN 0.456 nan 8.310 nan 0.000 0.496 508 W N 1.682 122.811 121.300 -0.285 0.000 3.062 508 W HA 0.705 5.364 4.660 -0.000 0.000 0.336 508 W C -1.373 175.259 176.519 0.189 0.000 1.224 508 W CA -1.201 56.138 57.345 -0.010 0.000 1.159 508 W CB 1.649 31.112 29.460 0.005 0.000 1.454 508 W HN 0.555 nan 8.180 nan 0.000 0.569 509 M N 4.289 124.292 119.600 0.671 0.000 2.302 509 M HA 0.182 4.662 4.480 -0.000 0.000 0.207 509 M C -2.925 173.642 176.300 0.445 0.000 1.016 509 M CA -1.304 54.311 55.300 0.524 0.000 0.941 509 M CB 1.664 34.444 32.600 0.301 0.000 2.701 509 M HN 0.033 nan 8.290 nan 0.000 0.377 510 P HA 0.093 nan 4.420 nan 0.000 0.274 510 P C -0.357 177.134 177.300 0.320 0.000 1.231 510 P CA -0.184 63.043 63.100 0.211 0.000 0.790 510 P CB 1.596 33.329 31.700 0.054 0.000 0.951 511 V N 3.416 123.345 119.914 0.026 0.000 2.637 511 V HA 0.127 4.247 4.120 -0.000 0.000 0.296 511 V C -0.681 175.430 176.094 0.028 0.000 1.046 511 V CA 0.241 62.457 62.300 -0.139 0.000 1.066 511 V CB -0.603 30.951 31.823 -0.447 0.000 0.968 511 V HN 0.484 nan 8.190 nan 0.000 0.483 512 W N 4.917 126.116 121.300 -0.169 0.000 2.736 512 W HA 0.696 5.356 4.660 -0.000 0.000 0.355 512 W C -1.059 175.145 176.519 -0.525 0.000 1.102 512 W CA -0.370 56.863 57.345 -0.186 0.000 1.164 512 W CB 1.649 31.085 29.460 -0.039 0.000 1.422 512 W HN 0.474 nan 8.180 nan 0.000 0.572 513 Y N 0.500 120.964 120.300 0.272 0.000 2.545 513 Y HA 0.178 4.728 4.550 -0.000 0.000 0.348 513 Y C 0.128 176.137 175.900 0.182 0.000 1.002 513 Y CA -1.372 56.826 58.100 0.164 0.000 1.039 513 Y CB 1.317 39.802 38.460 0.042 0.000 1.271 513 Y HN 0.190 nan 8.280 nan 0.000 0.467 514 D N 1.899 122.474 120.400 0.292 0.000 2.425 514 D HA -0.036 4.604 4.640 -0.000 0.000 0.247 514 D C 0.921 177.313 176.300 0.154 0.000 1.147 514 D CA 0.104 54.223 54.000 0.198 0.000 0.879 514 D CB 1.362 42.250 40.800 0.147 0.000 1.179 514 D HN 0.686 nan 8.370 nan 0.000 0.456 515 L N 5.364 126.663 121.223 0.128 0.000 2.079 515 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 515 L C 1.412 178.301 176.870 0.032 0.000 1.081 515 L CA 1.720 56.593 54.840 0.057 0.000 0.752 515 L CB -0.242 41.846 42.059 0.049 0.000 0.896 515 L HN 0.423 nan 8.230 nan 0.000 0.433 516 N N -0.533 118.199 118.700 0.053 0.000 2.482 516 N HA -0.008 4.732 4.740 -0.000 0.000 0.179 516 N C 0.848 176.378 175.510 0.034 0.000 1.039 516 N CA 1.040 54.112 53.050 0.038 0.000 0.884 516 N CB -0.165 38.349 38.487 0.046 0.000 1.113 516 N HN 0.597 nan 8.380 nan 0.000 0.440 517 N N -0.765 117.964 118.700 0.049 0.000 2.171 517 N HA 0.183 4.923 4.740 -0.000 0.000 0.212 517 N C 0.972 176.511 175.510 0.048 0.000 1.184 517 N CA 0.459 53.535 53.050 0.042 0.000 0.888 517 N CB 0.392 38.906 38.487 0.046 0.000 1.038 517 N HN 0.070 nan 8.380 nan 0.000 0.517 518 G N 0.462 109.302 108.800 0.066 0.000 2.175 518 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.265 518 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.265 518 G C -0.043 174.965 174.900 0.180 0.000 0.979 518 G CA 0.600 45.745 45.100 0.075 0.000 0.663 518 G HN 0.684 nan 8.290 nan 0.000 0.533 519 K N 0.599 121.103 120.400 0.175 0.000 2.401 519 K HA 0.301 4.621 4.320 -0.000 0.000 0.278 519 K C 0.728 177.489 176.600 0.268 0.000 1.018 519 K CA -0.303 56.096 56.287 0.187 0.000 0.981 519 K CB 0.300 32.871 32.500 0.120 0.000 0.933 519 K HN 0.361 nan 8.250 nan 0.000 0.477 520 Q N 4.485 124.437 119.800 0.253 0.000 2.313 520 Q HA 0.072 4.412 4.340 -0.000 0.000 0.266 520 Q C -0.233 175.798 176.000 0.052 0.000 0.989 520 Q CA -0.661 55.189 55.803 0.079 0.000 0.890 520 Q CB 0.617 29.401 28.738 0.077 0.000 1.200 520 Q HN 0.479 nan 8.270 nan 0.000 0.396 521 I N 3.840 124.424 120.570 0.025 0.000 2.648 521 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 521 I C 0.895 177.072 176.117 0.101 0.000 1.153 521 I CA 0.436 61.782 61.300 0.076 0.000 1.426 521 I CB 0.334 38.395 38.000 0.103 0.000 1.381 521 I HN 0.698 nan 8.210 nan 0.000 0.571 522 T N 3.574 118.141 114.554 0.022 0.000 2.943 522 T HA 0.728 5.078 4.350 -0.000 0.000 0.284 522 T C -0.327 174.251 174.700 -0.203 0.000 1.015 522 T CA -0.716 61.379 62.100 -0.008 0.000 1.042 522 T CB 2.032 70.908 68.868 0.013 0.000 1.055 522 T HN 0.253 nan 8.240 nan 0.000 0.500 523 V N 1.987 121.741 119.914 -0.267 0.000 2.525 523 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 523 V C -0.347 175.677 176.094 -0.116 0.000 1.034 523 V CA -0.645 61.453 62.300 -0.338 0.000 0.863 523 V CB 1.962 33.362 31.823 -0.705 0.000 0.999 523 V HN 1.208 nan 8.190 nan 0.000 0.423 524 T N 2.854 117.367 114.554 -0.068 0.000 2.886 524 T HA 0.419 4.769 4.350 -0.000 0.000 0.292 524 T C -0.666 174.033 174.700 -0.001 0.000 1.012 524 T CA -0.469 61.627 62.100 -0.006 0.000 0.982 524 T CB 1.311 70.165 68.868 -0.025 0.000 1.018 524 T HN 0.757 nan 8.240 nan 0.000 0.451 525 D N 1.416 121.846 120.400 0.050 0.000 2.737 525 D HA -0.179 4.461 4.640 -0.000 0.000 0.238 525 D C -0.778 175.502 176.300 -0.034 0.000 1.157 525 D CA 0.653 54.629 54.000 -0.040 0.000 0.694 525 D CB -0.800 39.908 40.800 -0.153 0.000 1.021 525 D HN 0.499 nan 8.370 nan 0.000 0.420 526 F N 1.953 121.858 119.950 -0.074 0.000 2.334 526 F HA 0.239 4.766 4.527 -0.000 0.000 0.365 526 F C 0.576 176.277 175.800 -0.165 0.000 1.124 526 F CA -0.633 57.249 58.000 -0.197 0.000 1.166 526 F CB 0.423 39.282 39.000 -0.236 0.000 1.355 526 F HN -0.064 nan 8.300 nan 0.000 0.532 527 S N 5.899 121.335 115.700 -0.440 0.000 2.578 527 S HA 0.780 5.250 4.470 -0.000 0.000 0.283 527 S C -0.618 173.697 174.600 -0.475 0.000 1.195 527 S CA -0.734 57.264 58.200 -0.338 0.000 1.050 527 S CB 1.847 64.896 63.200 -0.251 0.000 1.012 527 S HN 0.511 nan 8.310 nan 0.000 0.511 528 I N 1.307 121.676 120.570 -0.334 0.000 2.478 528 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 528 I C -0.398 175.685 176.117 -0.056 0.000 1.042 528 I CA -0.251 60.893 61.300 -0.259 0.000 1.067 528 I CB 1.903 39.712 38.000 -0.318 0.000 1.233 528 I HN 0.828 nan 8.210 nan 0.000 0.431 529 E N 4.243 124.441 120.200 -0.003 0.000 2.356 529 E HA 0.523 4.873 4.350 -0.000 0.000 0.275 529 E C 0.292 176.966 176.600 0.123 0.000 0.904 529 E CA -0.432 56.011 56.400 0.072 0.000 0.757 529 E CB 2.166 31.875 29.700 0.015 0.000 1.232 529 E HN 0.802 nan 8.360 nan 0.000 0.442 530 G N 3.089 111.980 108.800 0.152 0.000 2.249 530 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 530 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 530 G C -0.553 174.501 174.900 0.257 0.000 1.036 530 G CA 0.534 45.731 45.100 0.161 0.000 0.824 530 G HN 0.337 nan 8.290 nan 0.000 0.504 531 F N 2.792 122.811 119.950 0.115 0.000 2.411 531 F HA 0.672 5.199 4.527 -0.000 0.000 0.355 531 F C 0.604 176.482 175.800 0.129 0.000 1.117 531 F CA -0.812 57.272 58.000 0.141 0.000 1.139 531 F CB 1.156 40.270 39.000 0.191 0.000 1.120 531 F HN 0.385 nan 8.300 nan 0.000 0.493 532 T N 3.189 117.732 114.554 -0.018 0.000 2.893 532 T HA 0.728 5.078 4.350 -0.000 0.000 0.291 532 T C -1.363 173.172 174.700 -0.275 0.000 1.028 532 T CA -0.841 61.129 62.100 -0.218 0.000 0.995 532 T CB 1.542 70.386 68.868 -0.041 0.000 1.051 532 T HN 0.365 nan 8.240 nan 0.000 0.470 533 V N 3.096 122.840 119.914 -0.283 0.000 2.340 533 V HA 0.697 4.817 4.120 -0.000 0.000 0.277 533 V C 1.163 177.199 176.094 -0.096 0.000 1.017 533 V CA 0.471 62.661 62.300 -0.184 0.000 0.820 533 V CB 0.043 31.798 31.823 -0.114 0.000 1.028 533 V HN 1.608 nan 8.190 nan 0.000 0.436 534 G N 5.198 113.950 108.800 -0.080 0.000 2.523 534 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.271 534 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.271 534 G C 0.475 175.352 174.900 -0.039 0.000 1.146 534 G CA 0.375 45.446 45.100 -0.047 0.000 0.961 534 G HN 0.991 nan 8.290 nan 0.000 0.549 535 N N 1.633 120.317 118.700 -0.027 0.000 2.279 535 N HA 0.224 4.964 4.740 -0.000 0.000 0.226 535 N C 0.447 175.942 175.510 -0.025 0.000 1.126 535 N CA 1.136 54.173 53.050 -0.022 0.000 0.846 535 N CB 0.320 38.799 38.487 -0.013 0.000 1.050 535 N HN 1.205 nan 8.380 nan 0.000 0.502 536 T N -2.235 112.294 114.554 -0.042 0.000 2.792 536 T HA 0.346 4.696 4.350 -0.000 0.000 0.280 536 T C -0.269 174.383 174.700 -0.080 0.000 0.990 536 T CA -0.492 61.579 62.100 -0.048 0.000 0.960 536 T CB 1.484 70.326 68.868 -0.043 0.000 0.939 536 T HN -0.053 nan 8.240 nan 0.000 0.439 537 T N 5.360 119.882 114.554 -0.053 0.000 2.794 537 T HA 0.347 4.696 4.350 -0.000 0.000 0.296 537 T C 0.474 175.135 174.700 -0.065 0.000 0.949 537 T CA -0.585 61.486 62.100 -0.050 0.000 1.101 537 T CB 0.016 68.883 68.868 -0.001 0.000 0.905 537 T HN 0.517 nan 8.240 nan 0.000 0.516 538 I N 4.685 125.188 120.570 -0.113 0.000 2.428 538 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 538 I C 1.154 177.334 176.117 0.106 0.000 1.019 538 I CA -0.225 61.035 61.300 -0.066 0.000 1.351 538 I CB 0.611 38.460 38.000 -0.250 0.000 1.412 538 I HN 0.777 nan 8.210 nan 0.000 0.513 539 T N 1.363 115.937 114.554 0.033 0.000 2.778 539 T HA 0.620 4.970 4.350 -0.000 0.000 0.293 539 T C 0.841 175.333 174.700 -0.348 0.000 1.144 539 T CA -0.191 61.903 62.100 -0.010 0.000 1.010 539 T CB 1.584 70.451 68.868 -0.001 0.000 1.325 539 T HN 0.449 nan 8.240 nan 0.000 0.515 540 A N 0.820 123.355 122.820 -0.475 0.000 2.019 540 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 540 A C 2.431 179.834 177.584 -0.302 0.000 1.164 540 A CA 2.205 53.852 52.037 -0.650 0.000 0.644 540 A CB -1.458 17.369 19.000 -0.288 0.000 0.805 540 A HN 1.284 nan 8.150 nan 0.000 0.449 541 S N 0.461 116.061 115.700 -0.167 0.000 2.453 541 S HA -0.133 4.336 4.470 -0.000 0.000 0.231 541 S C 0.905 175.457 174.600 -0.079 0.000 1.005 541 S CA 0.976 59.122 58.200 -0.091 0.000 0.949 541 S CB -0.659 62.511 63.200 -0.050 0.000 0.774 541 S HN 0.917 nan 8.310 nan 0.000 0.510 542 N N -0.642 118.001 118.700 -0.095 0.000 2.387 542 N HA 0.494 5.234 4.740 -0.000 0.000 0.259 542 N C 1.068 176.556 175.510 -0.037 0.000 1.369 542 N CA 0.205 53.223 53.050 -0.054 0.000 0.867 542 N CB 0.622 39.088 38.487 -0.036 0.000 1.341 542 N HN 0.284 nan 8.380 nan 0.000 0.495 543 A N 1.023 123.795 122.820 -0.080 0.000 1.872 543 A HA 0.192 4.511 4.320 -0.000 0.000 0.214 543 A C 2.421 180.073 177.584 0.112 0.000 1.187 543 A CA 1.532 53.595 52.037 0.043 0.000 0.614 543 A CB -0.617 18.318 19.000 -0.109 0.000 0.826 543 A HN 0.443 nan 8.150 nan 0.000 0.442 544 A N 0.030 122.881 122.820 0.052 0.000 2.014 544 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 544 A C 2.382 179.977 177.584 0.018 0.000 1.163 544 A CA 1.898 53.965 52.037 0.051 0.000 0.652 544 A CB -0.590 18.433 19.000 0.039 0.000 0.808 544 A HN 0.741 nan 8.150 nan 0.000 0.449 545 S N -0.582 115.123 115.700 0.009 0.000 2.315 545 S HA -0.036 4.434 4.470 -0.000 0.000 0.211 545 S C 1.715 176.312 174.600 -0.004 0.000 1.029 545 S CA 1.193 59.390 58.200 -0.004 0.000 0.956 545 S CB -0.996 62.200 63.200 -0.005 0.000 0.918 545 S HN 0.193 nan 8.310 nan 0.000 0.470 546 V N 2.405 122.328 119.914 0.015 0.000 2.302 546 V HA 0.112 4.232 4.120 -0.000 0.000 0.243 546 V C 2.849 179.006 176.094 0.104 0.000 1.036 546 V CA 1.740 64.065 62.300 0.042 0.000 1.020 546 V CB -1.620 30.216 31.823 0.022 0.000 0.657 546 V HN 0.667 nan 8.190 nan 0.000 0.453 547 G N -0.812 108.068 108.800 0.134 0.000 2.559 547 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 547 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 547 G C 0.975 175.998 174.900 0.205 0.000 1.126 547 G CA 0.320 45.619 45.100 0.332 0.000 0.778 547 G HN 0.530 nan 8.290 nan 0.000 0.543 548 R N -1.349 119.142 120.500 -0.015 0.000 3.758 548 R HA -0.160 4.180 4.340 -0.000 0.000 0.299 548 R C -0.263 175.996 176.300 -0.068 0.000 1.182 548 R CA 0.636 56.645 56.100 -0.153 0.000 0.809 548 R CB -2.308 27.694 30.300 -0.497 0.000 1.249 548 R HN 0.429 nan 8.270 nan 0.000 0.497 549 I N 2.450 123.058 120.570 0.063 0.000 2.241 549 I HA 0.037 4.207 4.170 -0.000 0.000 0.294 549 I C 0.854 177.033 176.117 0.103 0.000 1.145 549 I CA 0.203 61.547 61.300 0.074 0.000 1.261 549 I CB 0.251 38.434 38.000 0.304 0.000 1.475 549 I HN 0.135 nan 8.210 nan 0.000 0.533 550 D N 3.415 123.846 120.400 0.052 0.000 2.673 550 D HA 0.114 4.753 4.640 -0.000 0.000 0.278 550 D C 0.942 177.303 176.300 0.102 0.000 1.393 550 D CA -0.117 53.929 54.000 0.076 0.000 0.805 550 D CB 0.833 41.656 40.800 0.039 0.000 1.110 550 D HN 0.488 nan 8.370 nan 0.000 0.476 551 G N 0.052 108.940 108.800 0.146 0.000 3.441 551 G HA2 0.250 4.210 3.960 -0.000 0.000 0.263 551 G HA3 0.250 4.210 3.960 -0.000 0.000 0.263 551 G C 0.333 175.391 174.900 0.263 0.000 1.014 551 G CA -0.059 45.174 45.100 0.221 0.000 0.833 551 G HN 0.134 nan 8.290 nan 0.000 0.514 552 V N 1.566 121.634 119.914 0.256 0.000 2.529 552 V HA 0.079 4.199 4.120 -0.000 0.000 0.292 552 V C 0.390 176.586 176.094 0.171 0.000 1.028 552 V CA -0.628 61.833 62.300 0.268 0.000 1.074 552 V CB 0.981 32.967 31.823 0.272 0.000 0.958 552 V HN 0.362 nan 8.190 nan 0.000 0.481 553 D N 7.422 127.907 120.400 0.142 0.000 2.472 553 D HA 0.059 4.699 4.640 -0.000 0.000 0.237 553 D C -0.965 175.312 176.300 -0.039 0.000 1.141 553 D CA -0.895 53.094 54.000 -0.017 0.000 0.875 553 D CB 1.105 41.764 40.800 -0.234 0.000 1.192 553 D HN 0.338 nan 8.370 nan 0.000 0.450 554 P HA -0.205 nan 4.420 nan 0.000 0.219 554 P C 0.705 177.974 177.300 -0.052 0.000 1.146 554 P CA 1.006 64.091 63.100 -0.025 0.000 0.808 554 P CB 0.064 31.750 31.700 -0.023 0.000 0.779 555 A N -1.058 121.664 122.820 -0.164 0.000 2.014 555 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 555 A C 1.905 179.457 177.584 -0.053 0.000 1.163 555 A CA 0.913 52.835 52.037 -0.190 0.000 0.652 555 A CB -1.431 17.336 19.000 -0.389 0.000 0.808 555 A HN 0.265 nan 8.150 nan 0.000 0.449 556 Y N -1.638 118.666 120.300 0.005 0.000 2.458 556 Y HA 0.272 4.822 4.550 -0.000 0.000 0.254 556 Y C 2.605 178.497 175.900 -0.013 0.000 1.120 556 Y CA -0.149 57.943 58.100 -0.013 0.000 1.282 556 Y CB 0.078 38.516 38.460 -0.036 0.000 1.109 556 Y HN 0.324 nan 8.280 nan 0.000 0.526 557 A N 0.982 123.883 122.820 0.134 0.000 1.903 557 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 557 A C 2.412 180.016 177.584 0.033 0.000 1.191 557 A CA 2.187 54.279 52.037 0.092 0.000 0.638 557 A CB -1.419 17.623 19.000 0.070 0.000 0.823 557 A HN 0.490 nan 8.150 nan 0.000 0.451 558 G N -1.738 107.074 108.800 0.019 0.000 2.679 558 G HA2 0.081 4.041 3.960 -0.000 0.000 0.212 558 G HA3 0.081 4.041 3.960 -0.000 0.000 0.212 558 G C 1.413 176.231 174.900 -0.136 0.000 1.137 558 G CA 1.087 46.161 45.100 -0.044 0.000 0.787 558 G HN 0.510 nan 8.290 nan 0.000 0.534 559 S N -0.699 114.975 115.700 -0.043 0.000 2.503 559 S HA 0.156 4.626 4.470 -0.000 0.000 0.217 559 S C 0.662 175.267 174.600 0.007 0.000 0.999 559 S CA -0.225 57.999 58.200 0.040 0.000 0.914 559 S CB 0.679 63.930 63.200 0.085 0.000 0.782 559 S HN 0.062 nan 8.310 nan 0.000 0.520 560 V N 3.915 123.773 119.914 -0.093 0.000 2.334 560 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 560 V C -0.721 175.289 176.094 -0.140 0.000 1.040 560 V CA -0.530 61.780 62.300 0.016 0.000 0.866 560 V CB -0.012 31.853 31.823 0.071 0.000 1.019 560 V HN 0.357 nan 8.190 nan 0.000 0.468 561 H N 3.625 122.690 119.070 -0.007 0.000 2.472 561 H HA 0.561 5.117 4.556 -0.000 0.000 0.338 561 H C -1.163 174.106 175.328 -0.097 0.000 1.133 561 H CA -0.692 55.372 56.048 0.027 0.000 1.216 561 H CB 0.927 30.697 29.762 0.014 0.000 1.497 561 H HN 0.546 nan 8.280 nan 0.000 0.500 562 Y N 2.375 122.776 120.300 0.168 0.000 2.593 562 Y HA 0.180 4.730 4.550 -0.000 0.000 0.331 562 Y C -0.135 175.828 175.900 0.105 0.000 0.986 562 Y CA -0.801 57.380 58.100 0.134 0.000 1.262 562 Y CB 0.372 38.915 38.460 0.137 0.000 1.098 562 Y HN 0.500 nan 8.280 nan 0.000 0.506 563 I N 4.948 125.607 120.570 0.148 0.000 2.573 563 I HA 0.001 4.170 4.170 -0.000 0.000 0.295 563 I C 0.145 176.331 176.117 0.115 0.000 1.141 563 I CA 0.357 61.715 61.300 0.097 0.000 1.364 563 I CB -0.848 37.166 38.000 0.023 0.000 1.447 563 I HN 0.572 nan 8.210 nan 0.000 0.571 564 D N 0.000 120.471 120.400 0.118 0.000 6.856 564 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 564 D CA 0.000 54.060 54.000 0.101 0.000 0.868 564 D CB 0.000 40.867 40.800 0.112 0.000 0.688 564 D HN 0.000 nan 8.370 nan 0.000 0.683