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_A 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 0.000 176.141 176.300 -0.265 0.000 0.893 16 R CA 0.000 56.004 56.100 -0.159 0.000 0.921 16 R CB 0.000 30.240 30.300 -0.100 0.000 0.687 17 E N 1.001 121.079 120.200 -0.202 0.000 2.415 17 E HA 0.091 4.516 4.350 0.126 0.000 0.262 17 E C -0.584 175.895 176.600 -0.202 0.000 1.038 17 E CA 0.073 56.333 56.400 -0.233 0.000 0.921 17 E CB 0.420 30.065 29.700 -0.092 0.000 0.950 17 E HN 0.199 nan 8.360 nan 0.000 0.438 18 F N 1.779 121.710 119.950 -0.032 0.000 2.518 18 F HA 0.104 4.707 4.527 0.126 0.000 0.359 18 F C 0.906 176.669 175.800 -0.062 0.000 1.118 18 F CA 0.410 58.380 58.000 -0.051 0.000 1.287 18 F CB 0.394 39.362 39.000 -0.054 0.000 1.132 18 F HN 0.128 nan 8.300 nan 0.000 0.587 19 M N 2.115 121.783 119.600 0.114 0.000 2.470 19 M HA 0.453 5.009 4.480 0.126 0.000 0.285 19 M C -0.682 175.519 176.300 -0.165 0.000 1.213 19 M CA -0.980 54.304 55.300 -0.026 0.000 0.901 19 M CB 2.278 34.864 32.600 -0.023 0.000 1.718 19 M HN 0.605 nan 8.290 nan 0.000 0.469 20 A N 1.829 124.407 122.820 -0.404 0.000 2.498 20 A HA 0.499 4.895 4.320 0.126 0.000 0.239 20 A C -0.438 176.927 177.584 -0.366 0.000 1.068 20 A CA -0.168 51.463 52.037 -0.676 0.000 0.766 20 A CB 0.094 18.061 19.000 -1.720 0.000 1.003 20 A HN 0.583 nan 8.150 nan 0.000 0.497 21 V N 3.120 122.888 119.914 -0.245 0.000 2.407 21 V HA 0.472 4.667 4.120 0.126 0.000 0.291 21 V C 0.440 176.599 176.094 0.109 0.000 1.018 21 V CA -0.068 62.205 62.300 -0.044 0.000 0.842 21 V CB 1.387 33.191 31.823 -0.032 0.000 0.996 21 V HN 1.128 nan 8.190 nan 0.000 0.426 22 T N 2.132 116.777 114.554 0.152 0.000 2.943 22 T HA 0.853 5.279 4.350 0.126 0.000 0.284 22 T C 0.025 174.773 174.700 0.080 0.000 1.015 22 T CA -0.445 61.766 62.100 0.185 0.000 1.042 22 T CB 2.000 70.966 68.868 0.163 0.000 1.055 22 T HN 0.925 nan 8.240 nan 0.000 0.500 23 A N 1.773 124.467 122.820 -0.209 0.000 2.310 23 A HA 0.678 5.074 4.320 0.126 0.000 0.299 23 A C 0.258 177.719 177.584 -0.206 0.000 1.147 23 A CA -0.784 50.852 52.037 -0.669 0.000 0.818 23 A CB 0.227 18.657 19.000 -0.950 0.000 1.096 23 A HN 0.830 nan 8.150 nan 0.000 0.495 24 N N 1.247 119.845 118.700 -0.170 0.000 2.751 24 N HA 0.160 4.976 4.740 0.126 0.000 0.234 24 N C -1.387 174.126 175.510 0.006 0.000 1.403 24 N CA -0.302 52.737 53.050 -0.018 0.000 0.747 24 N CB 0.402 38.904 38.487 0.025 0.000 1.326 24 N HN 0.903 nan 8.380 nan 0.000 0.532 25 N N -1.899 116.827 118.700 0.045 0.000 3.102 25 N HA 0.314 5.130 4.740 0.126 0.000 0.299 25 N C 0.864 176.511 175.510 0.228 0.000 1.482 25 N CA -0.483 52.616 53.050 0.083 0.000 0.785 25 N CB 0.194 38.683 38.487 0.004 0.000 1.680 25 N HN -0.090 nan 8.380 nan 0.000 0.594 26 S N -1.609 114.173 115.700 0.138 0.000 2.474 26 S HA -0.133 4.412 4.470 0.126 0.000 0.235 26 S C 0.951 175.474 174.600 -0.128 0.000 0.997 26 S CA 0.857 59.102 58.200 0.076 0.000 0.949 26 S CB -0.529 62.654 63.200 -0.029 0.000 0.766 26 S HN 0.637 nan 8.310 nan 0.000 0.517 27 Q N -0.468 119.334 119.800 0.003 0.000 2.396 27 Q HA 0.484 4.899 4.340 0.126 0.000 0.220 27 Q C -0.526 175.609 176.000 0.226 0.000 0.900 27 Q CA 0.077 55.857 55.803 -0.039 0.000 0.925 27 Q CB 0.572 29.263 28.738 -0.078 0.000 1.065 27 Q HN 0.496 nan 8.270 nan 0.000 0.535 28 L N 0.396 121.826 121.223 0.345 0.000 2.505 28 L HA 0.513 4.929 4.340 0.126 0.000 0.259 28 L C -2.240 174.773 176.870 0.238 0.000 0.952 28 L CA -0.882 54.169 54.840 0.352 0.000 0.840 28 L CB 2.225 44.355 42.059 0.117 0.000 1.358 28 L HN -0.051 nan 8.230 nan 0.000 0.409 29 L N 3.997 125.366 121.223 0.245 0.000 2.406 29 L HA 0.893 5.309 4.340 0.126 0.000 0.272 29 L C -0.683 176.346 176.870 0.265 0.000 0.980 29 L CA 0.417 55.364 54.840 0.178 0.000 0.831 29 L CB 2.004 44.108 42.059 0.076 0.000 1.253 29 L HN 0.869 nan 8.230 nan 0.000 0.406 30 T N 0.338 115.003 114.554 0.185 0.000 2.916 30 T HA 0.864 5.289 4.350 0.126 0.000 0.292 30 T C -0.948 173.935 174.700 0.306 0.000 1.064 30 T CA -0.605 61.509 62.100 0.023 0.000 1.011 30 T CB 1.480 70.316 68.868 -0.054 0.000 1.152 30 T HN 0.736 nan 8.240 nan 0.000 0.510 31 W N -0.933 120.490 121.300 0.204 0.000 3.038 31 W HA 0.842 5.577 4.660 0.125 0.000 0.347 31 W C -1.738 174.946 176.519 0.274 0.000 1.219 31 W CA -1.331 56.115 57.345 0.168 0.000 1.142 31 W CB 0.972 30.479 29.460 0.078 0.000 1.484 31 W HN 0.856 nan 8.180 nan 0.000 0.586 32 W N 0.615 121.972 121.300 0.096 0.000 3.038 32 W HA 0.474 5.210 4.660 0.128 0.000 0.347 32 W C -1.337 174.929 176.519 -0.421 0.000 1.219 32 W CA -0.836 56.493 57.345 -0.027 0.000 1.142 32 W CB 2.208 31.719 29.460 0.085 0.000 1.484 32 W HN 0.381 nan 8.180 nan 0.000 0.586 33 H N 2.826 121.563 119.070 -0.555 0.000 2.840 33 H HA 0.153 4.785 4.556 0.127 0.000 0.340 33 H C 0.426 175.624 175.328 -0.217 0.000 1.004 33 H CA -0.448 55.309 56.048 -0.485 0.000 1.288 33 H CB 1.691 30.845 29.762 -1.013 0.000 1.607 33 H HN 0.349 nan 8.280 nan 0.000 0.522 34 N N 1.013 119.795 118.700 0.136 0.000 2.515 34 N HA -0.070 4.746 4.740 0.126 0.000 0.185 34 N C 1.066 176.637 175.510 0.102 0.000 1.109 34 N CA 0.684 53.849 53.050 0.193 0.000 0.903 34 N CB 0.354 38.948 38.487 0.177 0.000 0.969 34 N HN 0.568 nan 8.380 nan 0.000 0.450 35 T N -2.466 112.106 114.554 0.030 0.000 3.258 35 T HA 0.337 4.762 4.350 0.126 0.000 0.263 35 T C 0.810 175.483 174.700 -0.044 0.000 0.983 35 T CA -0.798 61.296 62.100 -0.009 0.000 0.907 35 T CB -0.021 68.825 68.868 -0.036 0.000 1.096 35 T HN 0.000 nan 8.240 nan 0.000 0.556 36 G N 0.815 109.615 108.800 0.001 0.000 2.441 36 G HA2 0.399 4.435 3.960 0.126 0.000 0.243 36 G HA3 0.399 4.435 3.960 0.126 0.000 0.243 36 G C -0.721 174.181 174.900 0.002 0.000 1.281 36 G CA -0.468 44.666 45.100 0.057 0.000 0.854 36 G HN 0.567 nan 8.290 nan 0.000 0.560 37 E N 1.660 121.842 120.200 -0.029 0.000 2.241 37 E HA 0.264 4.690 4.350 0.126 0.000 0.263 37 E C -0.472 176.090 176.600 -0.063 0.000 0.882 37 E CA -0.920 55.454 56.400 -0.044 0.000 0.769 37 E CB 1.129 30.799 29.700 -0.050 0.000 1.185 37 E HN 0.189 nan 8.360 nan 0.000 0.415 38 I N 4.487 125.019 120.570 -0.063 0.000 2.363 38 I HA 0.237 4.482 4.170 0.126 0.000 0.292 38 I C -0.086 175.994 176.117 -0.062 0.000 1.075 38 I CA 0.050 61.303 61.300 -0.078 0.000 1.333 38 I CB -0.076 37.880 38.000 -0.074 0.000 1.415 38 I HN 0.484 nan 8.210 nan 0.000 0.502 39 N N 4.594 123.257 118.700 -0.062 0.000 2.600 39 N HA 0.169 4.985 4.740 0.126 0.000 0.272 39 N C -0.120 175.363 175.510 -0.045 0.000 1.095 39 N CA -0.231 52.791 53.050 -0.048 0.000 0.993 39 N CB 1.755 40.219 38.487 -0.038 0.000 1.603 39 N HN 0.541 nan 8.380 nan 0.000 0.526 40 T N -0.081 114.445 114.554 -0.047 0.000 3.200 40 T HA 0.152 4.577 4.350 0.126 0.000 0.284 40 T C 0.695 175.367 174.700 -0.046 0.000 1.009 40 T CA 0.018 62.088 62.100 -0.049 0.000 0.907 40 T CB -0.081 68.750 68.868 -0.062 0.000 1.120 40 T HN 0.653 nan 8.240 nan 0.000 0.534 41 Q N 0.151 119.929 119.800 -0.036 0.000 2.063 41 Q HA 0.225 4.641 4.340 0.126 0.000 0.234 41 Q C 0.390 176.380 176.000 -0.017 0.000 0.748 41 Q CA -0.122 55.663 55.803 -0.031 0.000 0.915 41 Q CB 0.536 29.256 28.738 -0.031 0.000 1.188 41 Q HN 0.430 nan 8.270 nan 0.000 0.456 42 T N -1.314 113.232 114.554 -0.013 0.000 2.887 42 T HA 0.661 5.086 4.350 0.126 0.000 0.292 42 T C -3.027 171.674 174.700 0.001 0.000 1.087 42 T CA -2.259 59.839 62.100 -0.003 0.000 1.009 42 T CB 1.933 70.797 68.868 -0.008 0.000 1.203 42 T HN -0.224 nan 8.240 nan 0.000 0.518 43 P HA 0.306 nan 4.420 nan 0.000 0.271 43 P C 0.023 177.314 177.300 -0.015 0.000 1.218 43 P CA -0.603 62.502 63.100 0.007 0.000 0.780 43 P CB 0.402 32.107 31.700 0.008 0.000 0.901 44 V N -0.198 119.703 119.914 -0.021 0.000 3.170 44 V HA 0.703 4.898 4.120 0.126 0.000 0.309 44 V C 0.334 176.387 176.094 -0.068 0.000 1.071 44 V CA -1.147 61.127 62.300 -0.044 0.000 1.063 44 V CB 0.152 31.944 31.823 -0.053 0.000 1.123 44 V HN 0.627 nan 8.190 nan 0.000 0.464 45 A N 1.018 123.790 122.820 -0.080 0.000 2.466 45 A HA 0.198 4.594 4.320 0.126 0.000 0.238 45 A C 1.100 178.583 177.584 -0.167 0.000 1.074 45 A CA 0.291 52.263 52.037 -0.108 0.000 0.774 45 A CB -0.320 18.628 19.000 -0.086 0.000 1.015 45 A HN 1.013 nan 8.150 nan 0.000 0.498 46 D N 2.012 122.247 120.400 -0.277 0.000 2.133 46 D HA -0.161 4.554 4.640 0.126 0.000 0.192 46 D C 1.830 177.917 176.300 -0.356 0.000 1.001 46 D CA 2.265 55.937 54.000 -0.545 0.000 0.844 46 D CB -0.358 39.807 40.800 -1.058 0.000 0.944 46 D HN 0.708 nan 8.370 nan 0.000 0.447 47 G N -0.385 108.311 108.800 -0.173 0.000 3.088 47 G HA2 -0.052 3.983 3.960 0.126 0.000 0.212 47 G HA3 -0.052 3.983 3.960 0.126 0.000 0.212 47 G C 0.528 175.392 174.900 -0.060 0.000 1.173 47 G CA -0.205 44.889 45.100 -0.012 0.000 0.779 47 G HN 0.100 nan 8.290 nan 0.000 0.540 48 N N -0.458 118.181 118.700 -0.101 0.000 2.482 48 N HA 0.568 5.384 4.740 0.126 0.000 0.279 48 N C -0.819 174.561 175.510 -0.216 0.000 1.182 48 N CA -0.443 52.530 53.050 -0.128 0.000 0.969 48 N CB 2.164 40.594 38.487 -0.095 0.000 1.201 48 N HN -0.182 nan 8.380 nan 0.000 0.523 49 V N 1.022 120.765 119.914 -0.284 0.000 2.407 49 V HA 0.353 4.548 4.120 0.126 0.000 0.291 49 V C 0.389 176.364 176.094 -0.198 0.000 1.018 49 V CA -0.869 61.149 62.300 -0.469 0.000 0.842 49 V CB 1.404 32.731 31.823 -0.827 0.000 0.996 49 V HN 0.529 nan 8.190 nan 0.000 0.426 50 R N 3.561 123.974 120.500 -0.145 0.000 2.502 50 R HA 0.145 4.560 4.340 0.126 0.000 0.292 50 R C -0.158 176.109 176.300 -0.056 0.000 0.998 50 R CA 0.291 56.357 56.100 -0.056 0.000 1.056 50 R CB 0.450 30.751 30.300 0.002 0.000 0.939 50 R HN 0.809 nan 8.270 nan 0.000 0.411 51 Q N 2.325 122.046 119.800 -0.132 0.000 2.345 51 Q HA 0.191 4.607 4.340 0.126 0.000 0.268 51 Q C -1.071 174.747 176.000 -0.304 0.000 1.054 51 Q CA -0.561 55.029 55.803 -0.355 0.000 0.835 51 Q CB 2.052 30.507 28.738 -0.472 0.000 1.339 51 Q HN 0.626 nan 8.270 nan 0.000 0.447 52 S N 1.344 116.824 115.700 -0.367 0.000 2.533 52 S HA 0.273 4.819 4.470 0.126 0.000 0.282 52 S C 0.775 175.231 174.600 -0.241 0.000 1.304 52 S CA 0.381 58.440 58.200 -0.234 0.000 1.063 52 S CB 0.522 63.626 63.200 -0.160 0.000 0.881 52 S HN 0.790 nan 8.310 nan 0.000 0.493 53 G N 3.491 112.167 108.800 -0.207 0.000 3.020 53 G HA2 0.132 4.168 3.960 0.126 0.000 0.217 53 G HA3 0.132 4.168 3.960 0.126 0.000 0.217 53 G C 0.877 175.629 174.900 -0.247 0.000 1.144 53 G CA 0.000 44.982 45.100 -0.196 0.000 0.760 53 G HN 0.639 nan 8.290 nan 0.000 0.548 54 L N -0.820 120.191 121.223 -0.352 0.000 2.316 54 L HA 0.500 4.915 4.340 0.126 0.000 0.207 54 L C -0.349 176.117 176.870 -0.673 0.000 1.070 54 L CA 0.292 54.784 54.840 -0.581 0.000 0.820 54 L CB 0.211 41.765 42.059 -0.841 0.000 0.992 54 L HN 0.099 nan 8.230 nan 0.000 0.466 55 Y N -0.800 119.397 120.300 -0.171 0.000 2.364 55 Y HA 0.584 5.209 4.550 0.125 0.000 0.340 55 Y C 0.173 175.977 175.900 -0.160 0.000 0.975 55 Y CA -1.012 56.994 58.100 -0.157 0.000 1.089 55 Y CB 1.622 40.011 38.460 -0.119 0.000 1.192 55 Y HN -0.142 nan 8.280 nan 0.000 0.454 56 S N 2.571 118.290 115.700 0.031 0.000 2.454 56 S HA 0.843 5.389 4.470 0.126 0.000 0.306 56 S C -1.424 173.166 174.600 -0.016 0.000 1.100 56 S CA -0.476 57.711 58.200 -0.021 0.000 1.087 56 S CB 0.639 63.809 63.200 -0.050 0.000 1.019 56 S HN 0.422 nan 8.310 nan 0.000 0.480 57 V N 5.340 125.239 119.914 -0.024 0.000 2.588 57 V HA 0.595 4.790 4.120 0.126 0.000 0.304 57 V C -0.488 175.596 176.094 -0.018 0.000 1.042 57 V CA -0.758 61.523 62.300 -0.032 0.000 0.877 57 V CB 1.959 33.757 31.823 -0.042 0.000 0.996 57 V HN 0.889 nan 8.190 nan 0.000 0.425 58 K N 2.726 123.115 120.400 -0.018 0.000 2.435 58 K HA 0.882 5.278 4.320 0.126 0.000 0.251 58 K C -1.678 175.000 176.600 0.131 0.000 0.954 58 K CA -0.810 55.512 56.287 0.057 0.000 0.820 58 K CB 2.888 35.430 32.500 0.070 0.000 1.292 58 K HN 0.413 nan 8.250 nan 0.000 0.436 59 V N 1.582 121.544 119.914 0.080 0.000 2.709 59 V HA 0.382 4.578 4.120 0.126 0.000 0.308 59 V C -0.919 175.084 176.094 -0.153 0.000 1.062 59 V CA -0.863 61.380 62.300 -0.095 0.000 0.901 59 V CB 1.805 33.316 31.823 -0.520 0.000 1.003 59 V HN 0.732 nan 8.190 nan 0.000 0.425 60 Q N 1.576 121.169 119.800 -0.346 0.000 2.323 60 Q HA 0.471 4.887 4.340 0.126 0.000 0.271 60 Q C -0.912 174.969 176.000 -0.198 0.000 1.048 60 Q CA -0.488 55.031 55.803 -0.474 0.000 0.792 60 Q CB 2.289 30.275 28.738 -1.253 0.000 1.280 60 Q HN 0.801 nan 8.270 nan 0.000 0.441 61 T N 3.035 117.537 114.554 -0.086 0.000 2.901 61 T HA 0.147 4.572 4.350 0.126 0.000 0.301 61 T C 0.325 175.015 174.700 -0.018 0.000 1.012 61 T CA 0.038 62.137 62.100 -0.002 0.000 1.135 61 T CB 0.614 69.447 68.868 -0.059 0.000 0.936 61 T HN 0.725 nan 8.240 nan 0.000 0.539 62 T N 2.191 116.815 114.554 0.116 0.000 2.813 62 T HA 0.331 4.757 4.350 0.126 0.000 0.297 62 T C -2.322 172.424 174.700 0.078 0.000 1.036 62 T CA -1.572 60.595 62.100 0.113 0.000 1.044 62 T CB 0.125 69.103 68.868 0.182 0.000 0.993 62 T HN 0.327 nan 8.240 nan 0.000 0.535 63 P HA 0.315 nan 4.420 nan 0.000 0.271 63 P C -0.359 176.944 177.300 0.004 0.000 1.218 63 P CA -0.469 62.655 63.100 0.041 0.000 0.780 63 P CB 0.325 32.041 31.700 0.028 0.000 0.901 64 A N 2.986 125.811 122.820 0.008 0.000 2.511 64 A HA 0.468 4.863 4.320 0.126 0.000 0.242 64 A C 0.666 178.248 177.584 -0.004 0.000 1.069 64 A CA 0.495 52.533 52.037 0.001 0.000 0.763 64 A CB -0.567 18.443 19.000 0.017 0.000 1.001 64 A HN 0.748 nan 8.150 nan 0.000 0.498 65 S N -0.259 115.444 115.700 0.004 0.000 2.661 65 S HA 0.453 4.999 4.470 0.126 0.000 0.268 65 S C 0.509 175.132 174.600 0.039 0.000 1.162 65 S CA 0.076 58.280 58.200 0.007 0.000 0.817 65 S CB 0.597 63.791 63.200 -0.010 0.000 1.141 65 S HN 1.701 nan 8.310 nan 0.000 0.477 66 S N 0.135 115.850 115.700 0.025 0.000 2.595 66 S HA 0.114 4.660 4.470 0.126 0.000 0.235 66 S C 0.948 175.570 174.600 0.037 0.000 0.974 66 S CA 0.545 58.768 58.200 0.037 0.000 0.942 66 S CB -0.717 62.492 63.200 0.014 0.000 0.766 66 S HN 0.940 nan 8.310 nan 0.000 0.536 67 S N 0.698 116.406 115.700 0.014 0.000 2.592 67 S HA 0.284 4.830 4.470 0.126 0.000 0.256 67 S C 0.127 174.714 174.600 -0.022 0.000 1.369 67 S CA -0.672 57.515 58.200 -0.022 0.000 0.984 67 S CB -0.023 63.145 63.200 -0.053 0.000 0.919 67 S HN 0.513 nan 8.310 nan 0.000 0.576 68 L N 2.117 123.276 121.223 -0.106 0.000 2.439 68 L HA 0.404 4.819 4.340 0.126 0.000 0.269 68 L C -1.176 175.525 176.870 -0.282 0.000 1.179 68 L CA 0.261 54.989 54.840 -0.185 0.000 0.828 68 L CB 0.111 41.968 42.059 -0.336 0.000 1.106 68 L HN 0.639 nan 8.230 nan 0.000 0.467 69 Y N 3.228 123.337 120.300 -0.318 0.000 2.387 69 Y HA 0.448 5.073 4.550 0.126 0.000 0.336 69 Y C -0.863 174.817 175.900 -0.367 0.000 1.067 69 Y CA 0.004 57.961 58.100 -0.238 0.000 1.114 69 Y CB 1.361 39.751 38.460 -0.117 0.000 1.208 69 Y HN 0.451 nan 8.280 nan 0.000 0.458 70 Y N 2.158 122.464 120.300 0.010 0.000 2.330 70 Y HA 0.209 4.835 4.550 0.126 0.000 0.336 70 Y C 0.198 176.070 175.900 -0.047 0.000 1.036 70 Y CA -1.032 57.047 58.100 -0.035 0.000 1.125 70 Y CB 0.748 39.174 38.460 -0.055 0.000 1.194 70 Y HN 0.517 nan 8.280 nan 0.000 0.469 71 D N 1.677 122.109 120.400 0.053 0.000 2.455 71 D HA 0.020 4.735 4.640 0.126 0.000 0.241 71 D C -0.420 175.945 176.300 0.109 0.000 1.138 71 D CA 0.489 54.483 54.000 -0.010 0.000 0.877 71 D CB 1.455 42.066 40.800 -0.316 0.000 1.187 71 D HN 0.356 nan 8.370 nan 0.000 0.451 72 S N 2.295 118.078 115.700 0.139 0.000 2.659 72 S HA 0.253 4.799 4.470 0.126 0.000 0.312 72 S C -0.644 174.009 174.600 0.088 0.000 1.114 72 S CA -0.784 57.439 58.200 0.038 0.000 1.063 72 S CB 0.301 63.449 63.200 -0.088 0.000 0.996 72 S HN 0.300 nan 8.310 nan 0.000 0.478 73 F N 5.259 125.121 119.950 -0.148 0.000 2.608 73 F HA 0.275 4.877 4.527 0.125 0.000 0.380 73 F C -0.083 175.324 175.800 -0.655 0.000 1.083 73 F CA 0.473 58.157 58.000 -0.526 0.000 1.266 73 F CB 0.565 39.146 39.000 -0.698 0.000 1.076 73 F HN 0.305 nan 8.300 nan 0.000 0.574 74 V N 8.049 127.313 119.914 -1.084 0.000 2.311 74 V HA 0.164 4.359 4.120 0.126 0.000 0.275 74 V C -0.440 175.055 176.094 -0.997 0.000 1.022 74 V CA -0.736 61.084 62.300 -0.800 0.000 0.830 74 V CB -0.001 31.539 31.823 -0.471 0.000 1.012 74 V HN 0.541 nan 8.190 nan 0.000 0.452 75 Y N 4.664 124.521 120.300 -0.738 0.000 2.299 75 Y HA 0.572 5.197 4.550 0.126 0.000 0.335 75 Y C 0.089 175.593 175.900 -0.660 0.000 1.287 75 Y CA -0.607 57.012 58.100 -0.802 0.000 1.424 75 Y CB 0.797 38.294 38.460 -1.605 0.000 1.326 75 Y HN 0.496 nan 8.280 nan 0.000 0.567 76 L N 1.539 122.662 121.223 -0.167 0.000 2.436 76 L HA 0.832 5.248 4.340 0.126 0.000 0.268 76 L C -1.155 175.872 176.870 0.262 0.000 0.974 76 L CA -0.738 54.135 54.840 0.055 0.000 0.826 76 L CB 1.553 43.605 42.059 -0.012 0.000 1.291 76 L HN 0.660 nan 8.230 nan 0.000 0.406 77 A N 5.947 129.021 122.820 0.422 0.000 2.342 77 A HA 0.884 5.279 4.320 0.126 0.000 0.323 77 A C -0.817 176.984 177.584 0.362 0.000 1.125 77 A CA -0.545 51.756 52.037 0.439 0.000 0.785 77 A CB 0.954 20.259 19.000 0.508 0.000 1.221 77 A HN 0.876 nan 8.150 nan 0.000 0.463 78 I N -0.404 120.295 120.570 0.216 0.000 2.785 78 I HA 0.692 4.937 4.170 0.126 0.000 0.302 78 I C -2.747 173.220 176.117 -0.250 0.000 1.069 78 I CA -3.001 58.251 61.300 -0.078 0.000 1.045 78 I CB 2.658 40.608 38.000 -0.082 0.000 1.236 78 I HN 0.332 nan 8.210 nan 0.000 0.429 79 P HA 0.105 nan 4.420 nan 0.000 0.267 79 P C 0.775 177.932 177.300 -0.239 0.000 1.205 79 P CA 1.055 63.804 63.100 -0.585 0.000 0.765 79 P CB 0.984 32.268 31.700 -0.693 0.000 0.828 80 G N 3.816 112.487 108.800 -0.215 0.000 2.205 80 G HA2 -0.349 3.686 3.960 0.126 0.000 0.261 80 G HA3 -0.349 3.686 3.960 0.126 0.000 0.261 80 G C 0.544 175.496 174.900 0.087 0.000 0.980 80 G CA 0.346 45.452 45.100 0.010 0.000 0.632 80 G HN 0.657 nan 8.290 nan 0.000 0.533 81 N N -1.547 117.173 118.700 0.033 0.000 2.714 81 N HA -0.106 4.710 4.740 0.126 0.000 0.250 81 N C 1.554 177.109 175.510 0.076 0.000 1.117 81 N CA 1.553 54.658 53.050 0.092 0.000 0.719 81 N CB -1.104 37.478 38.487 0.158 0.000 1.081 81 N HN 2.197 nan 8.380 nan 0.000 0.557 82 G N -1.287 107.538 108.800 0.042 0.000 2.175 82 G HA2 -0.334 3.701 3.960 0.126 0.000 0.244 82 G HA3 -0.334 3.701 3.960 0.126 0.000 0.244 82 G C 0.057 174.985 174.900 0.047 0.000 0.982 82 G CA 0.352 45.471 45.100 0.031 0.000 0.641 82 G HN 0.344 nan 8.290 nan 0.000 0.527 83 M N 2.561 122.212 119.600 0.085 0.000 2.289 83 M HA 0.348 4.903 4.480 0.126 0.000 0.354 83 M C 1.789 178.143 176.300 0.090 0.000 1.210 83 M CA 0.250 55.612 55.300 0.103 0.000 1.174 83 M CB 1.239 33.939 32.600 0.167 0.000 1.297 83 M HN 0.366 nan 8.290 nan 0.000 0.423 84 S N 0.915 116.643 115.700 0.047 0.000 2.402 84 S HA -0.211 4.335 4.470 0.126 0.000 0.233 84 S C 1.290 175.900 174.600 0.017 0.000 1.030 84 S CA 1.866 60.078 58.200 0.020 0.000 1.003 84 S CB -0.414 62.789 63.200 0.004 0.000 0.813 84 S HN 0.786 nan 8.310 nan 0.000 0.477 85 D N 0.530 120.952 120.400 0.037 0.000 2.378 85 D HA -0.062 4.653 4.640 0.126 0.000 0.227 85 D C 1.562 177.868 176.300 0.010 0.000 1.012 85 D CA 0.459 54.469 54.000 0.018 0.000 0.905 85 D CB -0.376 40.453 40.800 0.049 0.000 0.895 85 D HN 0.407 nan 8.370 nan 0.000 0.532 86 Q N -0.212 119.648 119.800 0.099 0.000 2.319 86 Q HA 0.230 4.646 4.340 0.126 0.000 0.209 86 Q C 2.257 178.339 176.000 0.136 0.000 0.884 86 Q CA -0.104 55.836 55.803 0.230 0.000 0.938 86 Q CB 0.480 29.516 28.738 0.496 0.000 1.098 86 Q HN 0.389 nan 8.270 nan 0.000 0.517 87 L N 1.406 122.638 121.223 0.015 0.000 2.187 87 L HA -0.239 4.176 4.340 0.126 0.000 0.213 87 L C 2.536 179.329 176.870 -0.128 0.000 1.100 87 L CA 1.489 56.310 54.840 -0.031 0.000 0.765 87 L CB -0.471 41.554 42.059 -0.058 0.000 0.904 87 L HN 0.330 nan 8.230 nan 0.000 0.437 88 Q N -0.461 119.160 119.800 -0.298 0.000 2.364 88 Q HA -0.216 4.200 4.340 0.126 0.000 0.209 88 Q C 1.353 177.113 176.000 -0.400 0.000 0.977 88 Q CA 1.653 57.226 55.803 -0.384 0.000 0.885 88 Q CB -0.451 27.977 28.738 -0.517 0.000 0.941 88 Q HN 0.579 nan 8.270 nan 0.000 0.464 89 Y N 1.922 122.142 120.300 -0.134 0.000 2.466 89 Y HA 0.124 4.698 4.550 0.039 0.000 0.272 89 Y C 1.240 176.981 175.900 -0.265 0.000 1.169 89 Y CA -0.019 57.822 58.100 -0.430 0.000 1.285 89 Y CB 0.535 38.535 38.460 -0.766 0.000 1.078 89 Y HN 0.226 nan 8.280 nan 0.000 0.523 90 T N -3.504 111.061 114.554 0.019 0.000 2.889 90 T HA 0.144 4.569 4.350 0.126 0.000 0.278 90 T C 0.928 175.585 174.700 -0.071 0.000 0.995 90 T CA -0.758 61.356 62.100 0.025 0.000 0.966 90 T CB 1.296 70.175 68.868 0.018 0.000 1.237 90 T HN -0.125 nan 8.240 nan 0.000 0.591 91 Q N -0.194 119.547 119.800 -0.099 0.000 2.435 91 Q HA 0.185 4.601 4.340 0.126 0.000 0.207 91 Q C 1.636 177.400 176.000 -0.394 0.000 0.956 91 Q CA 1.194 56.840 55.803 -0.260 0.000 0.917 91 Q CB -0.274 28.253 28.738 -0.352 0.000 0.997 91 Q HN 1.222 nan 8.270 nan 0.000 0.497 92 G N -0.145 108.506 108.800 -0.250 0.000 2.141 92 G HA2 -0.277 3.758 3.960 0.126 0.000 0.242 92 G HA3 -0.277 3.758 3.960 0.126 0.000 0.242 92 G C -0.160 174.670 174.900 -0.117 0.000 0.982 92 G CA -0.105 44.880 45.100 -0.191 0.000 0.662 92 G HN 0.362 nan 8.290 nan 0.000 0.527 93 Y N 0.261 120.551 120.300 -0.016 0.000 2.316 93 Y HA 0.371 5.006 4.550 0.143 0.000 0.324 93 Y C 1.532 177.388 175.900 -0.073 0.000 1.267 93 Y CA -0.385 57.706 58.100 -0.014 0.000 1.311 93 Y CB 0.777 39.256 38.460 0.032 0.000 1.267 93 Y HN 0.202 nan 8.280 nan 0.000 0.516 94 N N -0.568 118.204 118.700 0.119 0.000 2.268 94 N HA 0.019 4.835 4.740 0.126 0.000 0.204 94 N C -0.676 174.802 175.510 -0.054 0.000 1.124 94 N CA -0.133 52.910 53.050 -0.011 0.000 0.838 94 N CB -0.026 38.458 38.487 -0.005 0.000 0.994 94 N HN 0.583 nan 8.380 nan 0.000 0.489 95 Q N 0.478 120.269 119.800 -0.016 0.000 2.364 95 Q HA 0.176 4.592 4.340 0.126 0.000 0.267 95 Q C 0.068 175.991 176.000 -0.127 0.000 0.999 95 Q CA 0.325 56.124 55.803 -0.006 0.000 0.886 95 Q CB 0.659 29.461 28.738 0.108 0.000 1.243 95 Q HN 0.495 nan 8.270 nan 0.000 0.415 96 T N -0.638 113.906 114.554 -0.017 0.000 2.942 96 T HA 0.490 4.916 4.350 0.126 0.000 0.289 96 T C -0.758 174.048 174.700 0.178 0.000 1.044 96 T CA -0.984 61.135 62.100 0.031 0.000 1.023 96 T CB 1.857 70.727 68.868 0.004 0.000 1.123 96 T HN 0.566 nan 8.240 nan 0.000 0.512 97 Q N 0.398 120.359 119.800 0.268 0.000 2.294 97 Q HA 0.621 5.037 4.340 0.126 0.000 0.264 97 Q C -1.304 174.848 176.000 0.253 0.000 0.992 97 Q CA -0.809 55.073 55.803 0.132 0.000 0.747 97 Q CB 1.559 30.232 28.738 -0.109 0.000 1.262 97 Q HN 1.072 nan 8.270 nan 0.000 0.452 98 A N 3.440 126.380 122.820 0.199 0.000 2.294 98 A HA 0.892 5.288 4.320 0.126 0.000 0.330 98 A C -1.501 176.206 177.584 0.206 0.000 1.133 98 A CA -0.430 51.722 52.037 0.192 0.000 0.836 98 A CB 0.590 19.673 19.000 0.137 0.000 1.190 98 A HN 0.821 nan 8.150 nan 0.000 0.492 99 W N -0.504 120.733 121.300 -0.105 0.000 3.153 99 W HA 0.663 5.399 4.660 0.125 0.000 0.316 99 W C -1.250 175.201 176.519 -0.113 0.000 1.255 99 W CA -0.195 56.980 57.345 -0.283 0.000 1.192 99 W CB 0.816 30.005 29.460 -0.453 0.000 1.400 99 W HN 0.822 nan 8.180 nan 0.000 0.568 100 T N 1.656 116.131 114.554 -0.133 0.000 2.916 100 T HA 0.707 5.132 4.350 0.126 0.000 0.305 100 T C -1.439 173.317 174.700 0.094 0.000 1.119 100 T CA -0.376 61.687 62.100 -0.062 0.000 1.008 100 T CB 1.556 70.349 68.868 -0.124 0.000 1.129 100 T HN 0.573 nan 8.240 nan 0.000 0.480 101 S N 2.438 118.268 115.700 0.217 0.000 2.542 101 S HA 0.935 5.481 4.470 0.126 0.000 0.293 101 S C -1.437 173.126 174.600 -0.063 0.000 1.089 101 S CA -0.665 57.696 58.200 0.268 0.000 0.961 101 S CB 0.962 64.602 63.200 0.733 0.000 1.062 101 S HN 0.683 nan 8.310 nan 0.000 0.483 102 F N -0.112 119.827 119.950 -0.018 0.000 2.668 102 F HA 0.725 5.327 4.527 0.126 0.000 0.309 102 F C -2.036 173.871 175.800 0.178 0.000 1.117 102 F CA -1.362 56.566 58.000 -0.120 0.000 0.951 102 F CB 0.688 39.584 39.000 -0.174 0.000 1.323 102 F HN 0.339 nan 8.300 nan 0.000 0.451 103 L N 3.165 124.682 121.223 0.490 0.000 2.325 103 L HA 0.639 5.054 4.340 0.126 0.000 0.278 103 L C -1.060 176.318 176.870 0.847 0.000 1.023 103 L CA -1.115 53.989 54.840 0.441 0.000 0.811 103 L CB 1.754 43.837 42.059 0.040 0.000 1.249 103 L HN 0.835 nan 8.230 nan 0.000 0.431 104 Y N 0.124 120.853 120.300 0.714 0.000 2.638 104 Y HA 0.558 5.184 4.550 0.126 0.000 0.335 104 Y C -0.230 175.840 175.900 0.283 0.000 1.155 104 Y CA -1.997 56.487 58.100 0.641 0.000 1.046 104 Y CB 1.369 40.201 38.460 0.619 0.000 1.303 104 Y HN 0.445 nan 8.280 nan 0.000 0.460 105 S N -0.419 115.080 115.700 -0.335 0.000 2.960 105 S HA 0.371 4.917 4.470 0.126 0.000 0.256 105 S C -0.805 173.196 174.600 -0.997 0.000 1.017 105 S CA 0.193 57.711 58.200 -1.137 0.000 1.144 105 S CB -0.639 61.964 63.200 -0.995 0.000 1.109 105 S HN 1.114 nan 8.310 nan 0.000 0.638 106 H N 0.446 119.191 119.070 -0.541 0.000 3.046 106 H HA 0.498 5.129 4.556 0.126 0.000 0.361 106 H C -1.550 173.847 175.328 0.114 0.000 1.235 106 H CA -0.396 55.532 56.048 -0.201 0.000 1.146 106 H CB 1.169 30.857 29.762 -0.124 0.000 1.859 106 H HN 0.039 nan 8.280 nan 0.000 0.548 107 D N 1.421 121.759 120.400 -0.104 0.000 2.515 107 D HA 0.365 5.081 4.640 0.126 0.000 0.232 107 D C -0.447 176.068 176.300 0.358 0.000 1.157 107 D CA 1.358 55.454 54.000 0.160 0.000 0.871 107 D CB 0.668 41.447 40.800 -0.035 0.000 1.200 107 D HN 0.672 nan 8.370 nan 0.000 0.466 108 A N 1.260 124.263 122.820 0.304 0.000 2.572 108 A HA 0.626 5.022 4.320 0.126 0.000 0.295 108 A C -0.615 177.029 177.584 0.100 0.000 1.072 108 A CA -0.755 51.400 52.037 0.197 0.000 0.691 108 A CB 1.658 20.778 19.000 0.200 0.000 1.291 108 A HN 0.334 nan 8.150 nan 0.000 0.404 109 T N 1.397 115.988 114.554 0.062 0.000 2.749 109 T HA 0.503 4.929 4.350 0.126 0.000 0.287 109 T C -0.469 174.330 174.700 0.165 0.000 0.970 109 T CA -0.218 61.962 62.100 0.134 0.000 0.980 109 T CB 0.951 69.954 68.868 0.226 0.000 0.924 109 T HN 0.500 nan 8.240 nan 0.000 0.456 110 V N 4.615 124.621 119.914 0.154 0.000 2.364 110 V HA 0.373 4.569 4.120 0.126 0.000 0.272 110 V C 0.350 176.494 176.094 0.084 0.000 1.036 110 V CA -0.702 61.666 62.300 0.114 0.000 0.880 110 V CB 1.163 33.086 31.823 0.167 0.000 0.991 110 V HN 0.706 nan 8.190 nan 0.000 0.460 111 K N 6.183 126.592 120.400 0.015 0.000 2.281 111 K HA 0.572 4.968 4.320 0.126 0.000 0.272 111 K C -0.985 175.477 176.600 -0.229 0.000 1.048 111 K CA -0.472 55.627 56.287 -0.313 0.000 0.898 111 K CB 0.733 32.862 32.500 -0.618 0.000 1.128 111 K HN 0.628 nan 8.250 nan 0.000 0.460 112 I N 3.050 123.507 120.570 -0.189 0.000 2.354 112 I HA 0.196 4.441 4.170 0.126 0.000 0.292 112 I C -0.441 175.664 176.117 -0.019 0.000 0.989 112 I CA -0.561 60.720 61.300 -0.032 0.000 1.188 112 I CB 1.961 40.024 38.000 0.105 0.000 1.342 112 I HN 0.518 nan 8.210 nan 0.000 0.457 113 S N 6.130 121.822 115.700 -0.014 0.000 2.521 113 S HA 0.606 5.152 4.470 0.126 0.000 0.295 113 S C -0.335 174.253 174.600 -0.021 0.000 1.098 113 S CA -0.904 57.275 58.200 -0.035 0.000 0.999 113 S CB 2.042 65.178 63.200 -0.106 0.000 1.034 113 S HN 0.500 nan 8.310 nan 0.000 0.483 114 R N 1.173 121.634 120.500 -0.065 0.000 2.810 114 R HA 0.419 4.834 4.340 0.126 0.000 0.245 114 R C -0.030 176.183 176.300 -0.146 0.000 1.168 114 R CA -1.016 54.984 56.100 -0.167 0.000 1.096 114 R CB 0.414 30.551 30.300 -0.273 0.000 1.259 114 R HN 0.776 nan 8.270 nan 0.000 0.518 115 N N -0.789 117.808 118.700 -0.172 0.000 2.267 115 N HA -0.061 4.754 4.740 0.126 0.000 0.226 115 N C 1.088 176.538 175.510 -0.101 0.000 1.314 115 N CA 0.341 53.312 53.050 -0.131 0.000 0.887 115 N CB 0.078 38.485 38.487 -0.133 0.000 1.120 115 N HN 0.663 nan 8.380 nan 0.000 0.440 116 G N -1.291 107.460 108.800 -0.083 0.000 2.448 116 G HA2 -0.244 3.791 3.960 0.126 0.000 0.219 116 G HA3 -0.244 3.791 3.960 0.126 0.000 0.219 116 G C 1.174 176.041 174.900 -0.055 0.000 1.127 116 G CA 0.986 46.047 45.100 -0.064 0.000 0.766 116 G HN 0.738 nan 8.290 nan 0.000 0.552 117 S N 0.289 115.951 115.700 -0.062 0.000 2.528 117 S HA 0.151 4.697 4.470 0.126 0.000 0.219 117 S C 1.309 175.874 174.600 -0.058 0.000 0.985 117 S CA 0.423 58.591 58.200 -0.054 0.000 0.914 117 S CB -0.170 62.998 63.200 -0.054 0.000 0.776 117 S HN 0.464 nan 8.310 nan 0.000 0.526 118 S N 1.813 117.469 115.700 -0.074 0.000 2.549 118 S HA 0.653 5.198 4.470 0.126 0.000 0.283 118 S C 0.272 174.844 174.600 -0.046 0.000 1.320 118 S CA -0.456 57.697 58.200 -0.079 0.000 1.058 118 S CB 0.720 63.846 63.200 -0.123 0.000 0.882 118 S HN 0.643 nan 8.310 nan 0.000 0.498 119 A N 3.223 126.023 122.820 -0.033 0.000 2.304 119 A HA 0.483 4.879 4.320 0.126 0.000 0.271 119 A C 0.327 177.916 177.584 0.007 0.000 1.091 119 A CA -0.849 51.180 52.037 -0.013 0.000 0.812 119 A CB -0.231 18.762 19.000 -0.012 0.000 1.056 119 A HN 0.904 nan 8.150 nan 0.000 0.489 120 N N 0.257 118.963 118.700 0.010 0.000 2.479 120 N HA 0.411 5.227 4.740 0.126 0.000 0.257 120 N C -0.376 175.138 175.510 0.005 0.000 1.232 120 N CA 0.669 53.729 53.050 0.018 0.000 0.920 120 N CB 0.888 39.367 38.487 -0.014 0.000 1.105 120 N HN 0.600 nan 8.380 nan 0.000 0.444 121 S N 0.660 116.377 115.700 0.028 0.000 2.543 121 S HA 0.357 4.902 4.470 0.126 0.000 0.271 121 S C -1.113 173.420 174.600 -0.112 0.000 1.148 121 S CA -0.946 57.267 58.200 0.022 0.000 0.914 121 S CB 0.509 63.830 63.200 0.200 0.000 1.096 121 S HN 0.610 nan 8.310 nan 0.000 0.471 122 N N 1.025 119.589 118.700 -0.226 0.000 2.399 122 N HA 0.506 5.322 4.740 0.126 0.000 0.250 122 N C -0.332 175.139 175.510 -0.066 0.000 1.272 122 N CA -0.296 52.583 53.050 -0.284 0.000 0.928 122 N CB 0.993 39.380 38.487 -0.167 0.000 1.158 122 N HN 0.541 nan 8.380 nan 0.000 0.463 123 V N -1.908 118.026 119.914 0.033 0.000 3.074 123 V HA 0.721 4.917 4.120 0.126 0.000 0.314 123 V C -0.553 175.520 176.094 -0.034 0.000 1.117 123 V CA -0.760 61.459 62.300 -0.134 0.000 1.014 123 V CB 1.844 33.436 31.823 -0.384 0.000 1.057 123 V HN 0.244 nan 8.190 nan 0.000 0.438 124 V N 3.353 123.235 119.914 -0.052 0.000 2.540 124 V HA 0.562 4.757 4.120 0.126 0.000 0.302 124 V C -0.652 175.424 176.094 -0.029 0.000 1.035 124 V CA -0.322 61.961 62.300 -0.029 0.000 0.873 124 V CB 1.523 33.336 31.823 -0.016 0.000 0.992 124 V HN 0.786 nan 8.190 nan 0.000 0.428 125 I N 5.474 126.016 120.570 -0.046 0.000 2.336 125 I HA 0.535 4.780 4.170 0.126 0.000 0.292 125 I C 0.356 176.435 176.117 -0.063 0.000 0.991 125 I CA -0.074 61.210 61.300 -0.027 0.000 1.227 125 I CB 1.234 39.163 38.000 -0.118 0.000 1.366 125 I HN 0.461 nan 8.210 nan 0.000 0.466 126 R N 7.050 127.555 120.500 0.008 0.000 2.599 126 R HA 0.499 4.915 4.340 0.126 0.000 0.295 126 R C -2.558 173.776 176.300 0.058 0.000 0.963 126 R CA -1.817 54.258 56.100 -0.042 0.000 0.883 126 R CB 1.673 31.899 30.300 -0.125 0.000 1.171 126 R HN 0.324 nan 8.270 nan 0.000 0.450 127 P HA -0.057 nan 4.420 nan 0.000 0.268 127 P C 0.685 177.887 177.300 -0.163 0.000 1.205 127 P CA 0.127 63.172 63.100 -0.090 0.000 0.771 127 P CB 0.837 32.498 31.700 -0.064 0.000 0.858 128 T N -1.638 112.826 114.554 -0.150 0.000 3.051 128 T HA -0.111 4.315 4.350 0.126 0.000 0.269 128 T C 1.588 176.185 174.700 -0.171 0.000 1.127 128 T CA 1.228 63.234 62.100 -0.158 0.000 1.107 128 T CB -0.952 67.845 68.868 -0.118 0.000 0.898 128 T HN 0.454 nan 8.240 nan 0.000 0.517 129 S N 1.245 116.851 115.700 -0.158 0.000 2.515 129 S HA 0.131 4.677 4.470 0.126 0.000 0.231 129 S C 1.885 176.360 174.600 -0.207 0.000 0.987 129 S CA 0.147 58.264 58.200 -0.138 0.000 0.936 129 S CB -0.833 62.314 63.200 -0.088 0.000 0.766 129 S HN 0.538 nan 8.310 nan 0.000 0.528 130 L N 1.558 122.557 121.223 -0.373 0.000 2.056 130 L HA 0.007 4.423 4.340 0.126 0.000 0.207 130 L C 1.493 178.022 176.870 -0.570 0.000 1.078 130 L CA 1.148 55.573 54.840 -0.693 0.000 0.749 130 L CB -1.053 40.151 42.059 -1.424 0.000 0.901 130 L HN 0.523 nan 8.230 nan 0.000 0.433 131 N N -0.306 118.147 118.700 -0.412 0.000 2.740 131 N HA -0.229 4.587 4.740 0.126 0.000 0.248 131 N C -0.289 175.188 175.510 -0.055 0.000 1.062 131 N CA -0.343 52.592 53.050 -0.191 0.000 0.704 131 N CB -0.845 37.584 38.487 -0.098 0.000 0.968 131 N HN 0.182 nan 8.380 nan 0.000 0.547 132 F N 0.414 120.231 119.950 -0.222 0.000 2.484 132 F HA 0.248 4.851 4.527 0.126 0.000 0.360 132 F C -1.315 174.389 175.800 -0.159 0.000 1.101 132 F CA -2.042 55.821 58.000 -0.230 0.000 1.251 132 F CB 0.527 39.311 39.000 -0.359 0.000 1.132 132 F HN 0.047 nan 8.300 nan 0.000 0.570 133 P HA 0.045 nan 4.420 nan 0.000 0.265 133 P C -1.072 176.215 177.300 -0.022 0.000 1.193 133 P CA 0.127 63.230 63.100 0.005 0.000 0.765 133 P CB 0.773 32.469 31.700 -0.007 0.000 0.823 134 V N 4.630 124.500 119.914 -0.073 0.000 2.638 134 V HA 0.565 4.760 4.120 0.126 0.000 0.306 134 V C 0.058 175.983 176.094 -0.281 0.000 1.052 134 V CA -0.582 61.613 62.300 -0.174 0.000 0.885 134 V CB 1.915 33.605 31.823 -0.222 0.000 0.999 134 V HN 0.578 nan 8.190 nan 0.000 0.424 135 R N 3.210 123.528 120.500 -0.303 0.000 2.744 135 R HA 0.714 5.130 4.340 0.126 0.000 0.279 135 R C -2.119 174.001 176.300 -0.300 0.000 0.977 135 R CA -0.809 55.130 56.100 -0.268 0.000 0.906 135 R CB 1.792 32.035 30.300 -0.094 0.000 1.197 135 R HN 0.490 nan 8.270 nan 0.000 0.463 136 Y N 0.669 121.045 120.300 0.126 0.000 2.335 136 Y HA 0.524 5.149 4.550 0.125 0.000 0.338 136 Y C -0.546 175.440 175.900 0.143 0.000 0.977 136 Y CA -0.526 57.661 58.100 0.145 0.000 1.114 136 Y CB 2.053 40.566 38.460 0.087 0.000 1.182 136 Y HN 0.808 nan 8.280 nan 0.000 0.463 137 D N 0.949 121.555 120.400 0.344 0.000 2.706 137 D HA 0.227 4.942 4.640 0.126 0.000 0.227 137 D C -1.288 175.162 176.300 0.249 0.000 1.233 137 D CA -0.781 53.361 54.000 0.236 0.000 0.768 137 D CB 0.804 41.674 40.800 0.116 0.000 1.490 137 D HN 0.507 nan 8.370 nan 0.000 0.458 138 N N 2.276 121.060 118.700 0.139 0.000 2.725 138 N HA -0.199 4.616 4.740 0.126 0.000 0.251 138 N C -0.653 174.899 175.510 0.071 0.000 1.031 138 N CA 1.116 54.220 53.050 0.091 0.000 0.720 138 N CB -0.729 37.813 38.487 0.091 0.000 0.930 138 N HN 0.501 nan 8.380 nan 0.000 0.543 139 Q N -2.945 116.902 119.800 0.079 0.000 2.461 139 Q HA -0.216 4.200 4.340 0.126 0.000 0.264 139 Q C -0.729 175.305 176.000 0.058 0.000 1.085 139 Q CA 1.667 57.507 55.803 0.060 0.000 1.006 139 Q CB -1.482 27.265 28.738 0.015 0.000 1.437 139 Q HN 0.664 nan 8.270 nan 0.000 0.514 140 S N -1.871 113.877 115.700 0.080 0.000 2.667 140 S HA 0.841 5.387 4.470 0.126 0.000 0.292 140 S C -0.663 173.954 174.600 0.028 0.000 1.126 140 S CA -0.650 57.531 58.200 -0.032 0.000 0.881 140 S CB 2.510 65.535 63.200 -0.293 0.000 1.132 140 S HN -0.009 nan 8.310 nan 0.000 0.492 141 V N 2.123 121.980 119.914 -0.095 0.000 2.487 141 V HA 0.448 4.644 4.120 0.126 0.000 0.298 141 V C -1.726 174.210 176.094 -0.264 0.000 1.028 141 V CA -0.567 61.703 62.300 -0.050 0.000 0.860 141 V CB 0.873 32.732 31.823 0.060 0.000 0.991 141 V HN 0.840 nan 8.190 nan 0.000 0.427 142 Y N 4.915 125.157 120.300 -0.096 0.000 2.342 142 Y HA 0.643 5.269 4.550 0.126 0.000 0.338 142 Y C 0.151 176.012 175.900 -0.065 0.000 0.965 142 Y CA -0.547 57.523 58.100 -0.051 0.000 1.159 142 Y CB 1.462 39.898 38.460 -0.039 0.000 1.157 142 Y HN 0.457 nan 8.280 nan 0.000 0.486 143 I N 3.330 123.966 120.570 0.109 0.000 2.362 143 I HA 0.268 4.514 4.170 0.126 0.000 0.289 143 I C -0.372 175.775 176.117 0.049 0.000 0.994 143 I CA -0.652 60.690 61.300 0.069 0.000 1.158 143 I CB 1.770 39.843 38.000 0.123 0.000 1.315 143 I HN 0.535 nan 8.210 nan 0.000 0.451 144 T N 5.935 120.475 114.554 -0.024 0.000 2.782 144 T HA 0.254 4.679 4.350 0.126 0.000 0.298 144 T C 0.060 174.561 174.700 -0.332 0.000 0.944 144 T CA -0.333 61.717 62.100 -0.083 0.000 1.001 144 T CB 0.436 69.270 68.868 -0.056 0.000 0.932 144 T HN 0.190 nan 8.240 nan 0.000 0.524 145 V N 7.861 127.601 119.914 -0.291 0.000 2.348 145 V HA 0.271 4.467 4.120 0.126 0.000 0.270 145 V C -2.081 173.895 176.094 -0.196 0.000 1.037 145 V CA -2.126 59.839 62.300 -0.560 0.000 0.872 145 V CB 0.734 32.471 31.823 -0.143 0.000 1.002 145 V HN 0.618 nan 8.190 nan 0.000 0.464 146 P HA 0.147 nan 4.420 nan 0.000 0.274 146 P C -0.894 176.614 177.300 0.345 0.000 1.231 146 P CA -0.286 62.824 63.100 0.017 0.000 0.790 146 P CB 0.414 32.090 31.700 -0.041 0.000 0.951 147 Y N 1.926 122.300 120.300 0.122 0.000 2.346 147 Y HA 0.444 5.070 4.550 0.126 0.000 0.330 147 Y C 0.107 176.017 175.900 0.015 0.000 1.178 147 Y CA 0.413 58.449 58.100 -0.107 0.000 1.331 147 Y CB 0.663 38.892 38.460 -0.385 0.000 1.253 147 Y HN 0.291 nan 8.280 nan 0.000 0.529 148 S N 6.937 122.001 115.700 -1.060 0.000 2.572 148 S HA 0.378 4.923 4.470 0.126 0.000 0.274 148 S C -2.242 171.722 174.600 -1.060 0.000 1.150 148 S CA -1.418 56.295 58.200 -0.812 0.000 0.944 148 S CB 1.686 64.633 63.200 -0.422 0.000 1.071 148 S HN 0.574 nan 8.310 nan 0.000 0.479 149 P HA -0.062 nan 4.420 nan 0.000 0.223 149 P C 1.066 178.260 177.300 -0.177 0.000 1.144 149 P CA 1.276 64.186 63.100 -0.318 0.000 0.783 149 P CB -0.371 31.260 31.700 -0.114 0.000 0.771 150 T N -5.231 109.178 114.554 -0.242 0.000 3.060 150 T HA 0.417 4.843 4.350 0.126 0.000 0.249 150 T C 1.100 175.697 174.700 -0.173 0.000 1.079 150 T CA 0.308 62.307 62.100 -0.168 0.000 1.013 150 T CB -0.511 68.245 68.868 -0.187 0.000 0.975 150 T HN 0.318 nan 8.240 nan 0.000 0.518 151 G N 0.925 109.593 108.800 -0.220 0.000 2.749 151 G HA2 -0.098 3.938 3.960 0.126 0.000 0.242 151 G HA3 -0.098 3.938 3.960 0.126 0.000 0.242 151 G C -0.920 173.793 174.900 -0.311 0.000 1.364 151 G CA -0.298 44.780 45.100 -0.037 0.000 0.888 151 G HN 0.588 nan 8.290 nan 0.000 0.566 152 Y N -0.960 119.496 120.300 0.260 0.000 2.562 152 Y HA 0.748 5.373 4.550 0.125 0.000 0.345 152 Y C 0.508 176.618 175.900 0.349 0.000 1.045 152 Y CA -0.950 57.352 58.100 0.336 0.000 1.028 152 Y CB 2.446 41.225 38.460 0.531 0.000 1.297 152 Y HN 0.637 nan 8.280 nan 0.000 0.463 153 R N 2.671 123.503 120.500 0.553 0.000 2.500 153 R HA 0.578 4.994 4.340 0.126 0.000 0.299 153 R C -1.763 174.851 176.300 0.525 0.000 1.038 153 R CA -0.495 55.888 56.100 0.472 0.000 0.903 153 R CB 1.200 31.662 30.300 0.270 0.000 1.177 153 R HN 0.559 nan 8.270 nan 0.000 0.455 154 F N -1.270 118.832 119.950 0.253 0.000 2.643 154 F HA 0.725 5.328 4.527 0.126 0.000 0.314 154 F C -0.561 175.295 175.800 0.094 0.000 1.096 154 F CA -1.281 56.818 58.000 0.165 0.000 0.953 154 F CB 1.910 40.976 39.000 0.109 0.000 1.345 154 F HN 0.224 nan 8.300 nan 0.000 0.468 155 S N 1.054 116.939 115.700 0.308 0.000 2.451 155 S HA 0.713 5.258 4.470 0.126 0.000 0.301 155 S C -1.338 173.393 174.600 0.219 0.000 1.116 155 S CA -0.505 57.822 58.200 0.211 0.000 1.093 155 S CB 1.207 64.594 63.200 0.311 0.000 1.017 155 S HN 0.634 nan 8.310 nan 0.000 0.482 156 V N 5.982 125.966 119.914 0.117 0.000 2.328 156 V HA 0.416 4.612 4.120 0.126 0.000 0.278 156 V C -0.328 175.785 176.094 0.032 0.000 1.021 156 V CA -0.518 61.817 62.300 0.058 0.000 0.838 156 V CB 1.074 32.897 31.823 -0.000 0.000 0.999 156 V HN 0.880 nan 8.190 nan 0.000 0.447 157 E N 4.894 125.103 120.200 0.015 0.000 2.114 157 E HA 0.428 4.853 4.350 0.126 0.000 0.266 157 E C -1.261 175.356 176.600 0.028 0.000 0.896 157 E CA -0.579 55.882 56.400 0.103 0.000 0.750 157 E CB 1.617 31.399 29.700 0.138 0.000 1.121 157 E HN 0.469 nan 8.360 nan 0.000 0.413 158 F N 2.420 122.439 119.950 0.115 0.000 2.467 158 F HA 0.032 4.634 4.527 0.125 0.000 0.362 158 F C 1.496 177.347 175.800 0.084 0.000 1.090 158 F CA -0.121 57.945 58.000 0.110 0.000 1.202 158 F CB 0.567 39.651 39.000 0.140 0.000 1.113 158 F HN 0.431 nan 8.300 nan 0.000 0.541 159 D N 1.416 121.920 120.400 0.173 0.000 2.133 159 D HA -0.212 4.504 4.640 0.126 0.000 0.195 159 D C 1.693 178.065 176.300 0.121 0.000 0.997 159 D CA 1.753 55.821 54.000 0.113 0.000 0.840 159 D CB -0.289 40.545 40.800 0.058 0.000 0.947 159 D HN 0.618 nan 8.370 nan 0.000 0.452 160 D N -0.379 120.108 120.400 0.145 0.000 2.363 160 D HA -0.099 4.616 4.640 0.126 0.000 0.226 160 D C 0.824 177.183 176.300 0.098 0.000 1.020 160 D CA 0.338 54.397 54.000 0.098 0.000 0.892 160 D CB -0.163 40.681 40.800 0.073 0.000 0.900 160 D HN 0.125 nan 8.370 nan 0.000 0.531 161 D N -0.608 119.883 120.400 0.152 0.000 2.398 161 D HA 0.106 4.821 4.640 0.126 0.000 0.210 161 D C 0.226 176.598 176.300 0.120 0.000 1.094 161 D CA -0.248 53.833 54.000 0.135 0.000 0.839 161 D CB 0.207 41.134 40.800 0.211 0.000 0.963 161 D HN 0.114 nan 8.370 nan 0.000 0.506 162 L N 1.856 123.145 121.223 0.110 0.000 2.426 162 L HA 0.319 4.735 4.340 0.126 0.000 0.271 162 L C 0.535 177.435 176.870 0.051 0.000 1.169 162 L CA -0.299 54.591 54.840 0.083 0.000 0.836 162 L CB 0.855 42.960 42.059 0.076 0.000 1.112 162 L HN 0.109 nan 8.230 nan 0.000 0.465 163 I N -1.610 118.979 120.570 0.032 0.000 3.145 163 I HA 0.563 4.808 4.170 0.126 0.000 0.313 163 I C -0.567 175.544 176.117 -0.011 0.000 1.122 163 I CA -0.740 60.566 61.300 0.010 0.000 0.987 163 I CB 2.325 40.325 38.000 -0.000 0.000 1.236 163 I HN 0.315 nan 8.210 nan 0.000 0.453 164 S N 3.179 118.870 115.700 -0.015 0.000 2.442 164 S HA 0.607 5.153 4.470 0.126 0.000 0.297 164 S C -0.375 174.188 174.600 -0.063 0.000 1.131 164 S CA -0.636 57.551 58.200 -0.022 0.000 1.092 164 S CB 1.067 64.271 63.200 0.007 0.000 0.998 164 S HN 0.370 nan 8.310 nan 0.000 0.478 165 L N 3.119 124.270 121.223 -0.120 0.000 2.257 165 L HA 0.536 4.951 4.340 0.126 0.000 0.290 165 L C 0.550 177.416 176.870 -0.006 0.000 1.044 165 L CA -0.669 54.018 54.840 -0.254 0.000 0.810 165 L CB 0.734 42.443 42.059 -0.583 0.000 1.193 165 L HN 0.666 nan 8.230 nan 0.000 0.425 166 A N 5.952 128.852 122.820 0.134 0.000 2.371 166 A HA 0.506 4.902 4.320 0.126 0.000 0.257 166 A C -1.469 176.275 177.584 0.268 0.000 1.089 166 A CA -0.956 51.188 52.037 0.178 0.000 0.794 166 A CB 0.110 19.202 19.000 0.154 0.000 1.029 166 A HN 0.662 nan 8.150 nan 0.000 0.488 167 P HA 0.021 nan 4.420 nan 0.000 0.261 167 P C 0.936 178.310 177.300 0.124 0.000 1.268 167 P CA 0.791 63.972 63.100 0.135 0.000 0.833 167 P CB 0.338 32.108 31.700 0.116 0.000 1.231 168 S N -0.350 115.435 115.700 0.142 0.000 2.406 168 S HA 0.123 4.669 4.470 0.126 0.000 0.228 168 S C 1.845 176.503 174.600 0.096 0.000 1.020 168 S CA 1.122 59.400 58.200 0.129 0.000 0.965 168 S CB -1.481 61.811 63.200 0.153 0.000 0.798 168 S HN 0.273 nan 8.310 nan 0.000 0.488 169 G N 1.127 109.972 108.800 0.075 0.000 2.159 169 G HA2 -0.107 3.929 3.960 0.126 0.000 0.256 169 G HA3 -0.107 3.929 3.960 0.126 0.000 0.256 169 G C 0.267 175.191 174.900 0.040 0.000 0.977 169 G CA 0.095 45.226 45.100 0.052 0.000 0.652 169 G HN 1.410 nan 8.290 nan 0.000 0.531 170 A N 0.476 123.321 122.820 0.040 0.000 2.567 170 A HA 0.495 4.890 4.320 0.126 0.000 0.240 170 A C 0.878 178.467 177.584 0.009 0.000 1.053 170 A CA 0.359 52.418 52.037 0.037 0.000 0.755 170 A CB 0.205 19.232 19.000 0.045 0.000 0.978 170 A HN 0.372 nan 8.150 nan 0.000 0.507 171 R N 2.737 123.255 120.500 0.030 0.000 2.196 171 R HA 0.319 4.735 4.340 0.126 0.000 0.340 171 R C -0.334 175.983 176.300 0.027 0.000 1.043 171 R CA 0.186 56.302 56.100 0.027 0.000 0.883 171 R CB 0.585 30.909 30.300 0.040 0.000 1.078 171 R HN 0.886 nan 8.270 nan 0.000 0.462 172 Q N 2.521 122.314 119.800 -0.011 0.000 2.501 172 Q HA 0.457 4.872 4.340 0.126 0.000 0.288 172 Q C -2.624 173.407 176.000 0.052 0.000 1.051 172 Q CA -2.294 53.473 55.803 -0.060 0.000 0.788 172 Q CB 2.663 31.301 28.738 -0.167 0.000 1.469 172 Q HN 0.216 nan 8.270 nan 0.000 0.416 173 P HA -0.070 nan 4.420 nan 0.000 0.268 173 P C -0.073 177.328 177.300 0.168 0.000 1.205 173 P CA 0.389 63.613 63.100 0.206 0.000 0.771 173 P CB 0.658 32.551 31.700 0.321 0.000 0.858 174 E N 2.789 123.065 120.200 0.127 0.000 2.158 174 E HA -0.066 4.359 4.350 0.126 0.000 0.191 174 E C -0.129 176.527 176.600 0.094 0.000 0.982 174 E CA 0.680 57.128 56.400 0.079 0.000 0.823 174 E CB 0.123 29.850 29.700 0.045 0.000 0.766 174 E HN 0.383 nan 8.360 nan 0.000 0.468 175 N N 1.056 119.845 118.700 0.150 0.000 2.682 175 N HA 0.248 5.063 4.740 0.126 0.000 0.252 175 N C -1.195 174.497 175.510 0.303 0.000 1.081 175 N CA -0.109 53.056 53.050 0.193 0.000 0.844 175 N CB 1.654 40.230 38.487 0.148 0.000 1.167 175 N HN 0.085 nan 8.380 nan 0.000 0.523 176 A N 1.628 124.569 122.820 0.201 0.000 2.386 176 A HA 0.441 4.837 4.320 0.126 0.000 0.248 176 A C -0.117 177.512 177.584 0.075 0.000 1.082 176 A CA -0.055 52.090 52.037 0.180 0.000 0.789 176 A CB 0.367 19.394 19.000 0.044 0.000 1.025 176 A HN 0.565 nan 8.150 nan 0.000 0.490 177 L N 2.274 123.472 121.223 -0.042 0.000 2.441 177 L HA 0.599 5.014 4.340 0.126 0.000 0.270 177 L C -1.205 175.552 176.870 -0.188 0.000 0.973 177 L CA -0.031 54.669 54.840 -0.234 0.000 0.842 177 L CB 1.245 42.924 42.059 -0.633 0.000 1.239 177 L HN 0.607 nan 8.230 nan 0.000 0.406 178 L N 5.581 126.642 121.223 -0.270 0.000 2.334 178 L HA 0.626 5.042 4.340 0.126 0.000 0.276 178 L C -0.737 175.699 176.870 -0.724 0.000 1.014 178 L CA -0.817 53.718 54.840 -0.508 0.000 0.815 178 L CB 1.920 43.539 42.059 -0.733 0.000 1.268 178 L HN 0.407 nan 8.230 nan 0.000 0.428 179 I N 2.904 122.947 120.570 -0.878 0.000 2.389 179 I HA 0.340 4.586 4.170 0.126 0.000 0.288 179 I C -0.606 175.176 176.117 -0.557 0.000 0.999 179 I CA -0.242 60.574 61.300 -0.806 0.000 1.129 179 I CB 1.167 38.501 38.000 -1.111 0.000 1.288 179 I HN 0.451 nan 8.210 nan 0.000 0.444 180 F N 5.008 124.802 119.950 -0.260 0.000 2.311 180 F HA 0.573 5.174 4.527 0.124 0.000 0.371 180 F C 0.620 176.194 175.800 -0.376 0.000 1.083 180 F CA -0.978 56.908 58.000 -0.190 0.000 1.113 180 F CB 1.476 40.456 39.000 -0.034 0.000 1.349 180 F HN 0.533 nan 8.300 nan 0.000 0.470 181 A N 2.766 125.428 122.820 -0.263 0.000 2.252 181 A HA 0.695 5.090 4.320 0.126 0.000 0.309 181 A C -0.261 177.257 177.584 -0.109 0.000 1.285 181 A CA -0.277 51.296 52.037 -0.773 0.000 0.900 181 A CB 0.542 19.063 19.000 -0.799 0.000 1.157 181 A HN 0.576 nan 8.150 nan 0.000 0.536 182 S N 3.533 119.246 115.700 0.021 0.000 2.600 182 S HA 0.761 5.306 4.470 0.126 0.000 0.300 182 S C -2.764 172.117 174.600 0.467 0.000 1.087 182 S CA -1.167 57.198 58.200 0.274 0.000 0.965 182 S CB 1.899 65.238 63.200 0.231 0.000 1.089 182 S HN 0.686 nan 8.310 nan 0.000 0.496 183 P HA 0.254 nan 4.420 nan 0.000 0.274 183 P C -0.614 176.968 177.300 0.469 0.000 1.246 183 P CA -0.485 62.916 63.100 0.501 0.000 0.795 183 P CB 0.378 32.295 31.700 0.362 0.000 1.006 184 F N -0.185 119.879 119.950 0.191 0.000 2.539 184 F HA 0.020 4.623 4.527 0.126 0.000 0.340 184 F C 1.593 177.500 175.800 0.179 0.000 1.185 184 F CA -0.094 57.997 58.000 0.152 0.000 1.333 184 F CB 0.343 39.414 39.000 0.119 0.000 1.152 184 F HN 0.230 nan 8.300 nan 0.000 0.602 185 E N 1.559 121.940 120.200 0.301 0.000 2.229 185 E HA 0.099 4.524 4.350 0.126 0.000 0.283 185 E C -0.646 176.105 176.600 0.251 0.000 1.030 185 E CA -0.732 55.851 56.400 0.304 0.000 0.836 185 E CB 0.694 30.592 29.700 0.330 0.000 1.068 185 E HN 0.443 nan 8.360 nan 0.000 0.401 186 N N 0.447 119.277 118.700 0.215 0.000 2.405 186 N HA -0.009 4.806 4.740 0.126 0.000 0.269 186 N C 0.720 176.315 175.510 0.141 0.000 1.249 186 N CA -0.430 52.715 53.050 0.159 0.000 0.974 186 N CB 0.381 38.941 38.487 0.122 0.000 1.204 186 N HN 0.297 nan 8.380 nan 0.000 0.565 187 S N -1.756 114.008 115.700 0.107 0.000 2.500 187 S HA -0.109 4.436 4.470 0.126 0.000 0.239 187 S C 1.186 175.849 174.600 0.106 0.000 0.989 187 S CA 0.761 59.025 58.200 0.107 0.000 0.951 187 S CB -0.746 62.499 63.200 0.076 0.000 0.759 187 S HN 0.505 nan 8.310 nan 0.000 0.523 188 S N 1.301 117.033 115.700 0.053 0.000 2.501 188 S HA 0.046 4.591 4.470 0.126 0.000 0.220 188 S C 1.845 176.411 174.600 -0.057 0.000 0.997 188 S CA 0.992 59.159 58.200 -0.056 0.000 0.919 188 S CB -0.042 63.117 63.200 -0.069 0.000 0.778 188 S HN 0.936 nan 8.310 nan 0.000 0.523 189 T N -1.266 113.377 114.554 0.147 0.000 3.040 189 T HA 0.341 4.767 4.350 0.126 0.000 0.266 189 T C 0.083 175.099 174.700 0.527 0.000 1.005 189 T CA -0.345 61.937 62.100 0.303 0.000 0.906 189 T CB 0.117 69.141 68.868 0.260 0.000 1.082 189 T HN 0.116 nan 8.240 nan 0.000 0.531 190 K N 1.864 122.486 120.400 0.371 0.000 2.541 190 K HA 0.518 4.914 4.320 0.126 0.000 0.250 190 K C -3.323 173.224 176.600 -0.089 0.000 0.950 190 K CA -2.320 53.933 56.287 -0.056 0.000 0.805 190 K CB 2.024 34.511 32.500 -0.022 0.000 1.166 190 K HN -0.140 nan 8.250 nan 0.000 0.430 191 P HA -0.043 nan 4.420 nan 0.000 0.262 191 P C -0.815 176.352 177.300 -0.222 0.000 1.199 191 P CA 0.035 62.841 63.100 -0.489 0.000 0.763 191 P CB 0.625 31.816 31.700 -0.847 0.000 0.790 192 Q N 4.947 124.718 119.800 -0.048 0.000 2.396 192 Q HA 0.268 4.683 4.340 0.126 0.000 0.221 192 Q C -1.908 174.068 176.000 -0.040 0.000 1.025 192 Q CA -1.825 53.965 55.803 -0.022 0.000 0.946 192 Q CB -0.529 28.228 28.738 0.031 0.000 1.224 192 Q HN 0.386 nan 8.270 nan 0.000 0.539 193 P HA -0.002 nan 4.420 nan 0.000 0.264 193 P C 0.267 177.558 177.300 -0.016 0.000 1.193 193 P CA 0.713 63.800 63.100 -0.022 0.000 0.763 193 P CB 0.301 31.997 31.700 -0.006 0.000 0.810 194 G N 1.686 110.472 108.800 -0.023 0.000 2.143 194 G HA2 -0.259 3.776 3.960 0.126 0.000 0.248 194 G HA3 -0.259 3.776 3.960 0.126 0.000 0.248 194 G C 0.392 175.285 174.900 -0.012 0.000 0.991 194 G CA 0.199 45.291 45.100 -0.015 0.000 0.689 194 G HN 0.788 nan 8.290 nan 0.000 0.522 195 S N 2.002 117.686 115.700 -0.027 0.000 2.544 195 S HA 0.422 4.967 4.470 0.126 0.000 0.290 195 S C -0.769 173.824 174.600 -0.012 0.000 1.276 195 S CA -0.136 58.056 58.200 -0.014 0.000 1.075 195 S CB 0.558 63.715 63.200 -0.073 0.000 0.849 195 S HN 0.476 nan 8.310 nan 0.000 0.494 196 P HA 0.079 nan 4.420 nan 0.000 0.268 196 P C -0.259 177.046 177.300 0.009 0.000 1.205 196 P CA -0.139 62.970 63.100 0.015 0.000 0.771 196 P CB 0.085 31.804 31.700 0.031 0.000 0.858 197 N N 0.652 119.351 118.700 -0.001 0.000 2.678 197 N HA -0.179 4.636 4.740 0.126 0.000 0.268 197 N C -0.643 174.854 175.510 -0.023 0.000 1.010 197 N CA 1.023 54.069 53.050 -0.007 0.000 0.784 197 N CB -1.151 37.342 38.487 0.010 0.000 0.905 197 N HN 0.570 nan 8.380 nan 0.000 0.552 198 S N 0.401 116.070 115.700 -0.052 0.000 2.704 198 S HA 0.806 5.352 4.470 0.126 0.000 0.305 198 S C -0.042 174.496 174.600 -0.103 0.000 1.107 198 S CA -1.008 57.136 58.200 -0.093 0.000 0.993 198 S CB 2.471 65.588 63.200 -0.138 0.000 1.110 198 S HN 0.411 nan 8.310 nan 0.000 0.534 199 I N 0.234 120.717 120.570 -0.145 0.000 2.607 199 I HA 0.666 4.911 4.170 0.126 0.000 0.290 199 I C -1.318 174.665 176.117 -0.224 0.000 1.129 199 I CA -0.986 60.224 61.300 -0.151 0.000 1.042 199 I CB 1.858 39.778 38.000 -0.133 0.000 1.242 199 I HN 0.963 nan 8.210 nan 0.000 0.421 200 A N 8.897 131.605 122.820 -0.186 0.000 2.536 200 A HA 0.664 5.059 4.320 0.126 0.000 0.329 200 A C -2.540 174.950 177.584 -0.156 0.000 1.321 200 A CA -1.262 50.648 52.037 -0.212 0.000 0.804 200 A CB -0.048 18.877 19.000 -0.125 0.000 1.126 200 A HN 0.508 nan 8.150 nan 0.000 0.480 201 P HA 0.318 nan 4.420 nan 0.000 0.269 201 P C 0.186 177.572 177.300 0.143 0.000 1.209 201 P CA 0.123 63.181 63.100 -0.071 0.000 0.776 201 P CB 0.965 32.592 31.700 -0.121 0.000 0.876 202 A N 4.528 127.416 122.820 0.114 0.000 2.332 202 A HA 0.508 4.903 4.320 0.126 0.000 0.258 202 A C -2.096 175.560 177.584 0.119 0.000 1.087 202 A CA -1.406 50.699 52.037 0.114 0.000 0.802 202 A CB -1.182 17.831 19.000 0.022 0.000 1.042 202 A HN 0.413 nan 8.150 nan 0.000 0.489 203 P HA 0.409 nan 4.420 nan 0.000 0.268 203 P C 0.726 177.868 177.300 -0.263 0.000 1.208 203 P CA 1.626 64.451 63.100 -0.458 0.000 0.777 203 P CB 0.483 31.967 31.700 -0.360 0.000 0.875 204 G N 0.351 108.953 108.800 -0.331 0.000 2.416 204 G HA2 -0.090 3.946 3.960 0.126 0.000 0.203 204 G HA3 -0.090 3.946 3.960 0.126 0.000 0.203 204 G C -0.801 173.561 174.900 -0.897 0.000 1.227 204 G CA -0.760 44.116 45.100 -0.373 0.000 1.041 204 G HN 0.704 nan 8.290 nan 0.000 0.546 205 R N -0.234 119.656 120.500 -1.017 0.000 2.522 205 R HA 0.476 4.891 4.340 0.126 0.000 0.284 205 R C 0.059 176.019 176.300 -0.568 0.000 1.032 205 R CA 0.252 55.766 56.100 -0.977 0.000 1.049 205 R CB 0.464 30.497 30.300 -0.446 0.000 0.956 205 R HN 0.806 nan 8.270 nan 0.000 0.422 206 V N 7.338 126.836 119.914 -0.694 0.000 2.350 206 V HA 0.378 4.574 4.120 0.126 0.000 0.276 206 V C 0.067 175.928 176.094 -0.389 0.000 1.028 206 V CA -0.530 61.453 62.300 -0.528 0.000 0.860 206 V CB 0.852 32.246 31.823 -0.714 0.000 0.990 206 V HN 0.612 nan 8.190 nan 0.000 0.453 207 L N 3.327 124.444 121.223 -0.176 0.000 2.323 207 L HA 0.837 5.253 4.340 0.126 0.000 0.265 207 L C 1.211 178.064 176.870 -0.028 0.000 1.012 207 L CA -0.233 54.561 54.840 -0.076 0.000 0.820 207 L CB 1.913 43.933 42.059 -0.066 0.000 1.334 207 L HN 0.759 nan 8.230 nan 0.000 0.427 208 G N 0.613 109.414 108.800 0.002 0.000 2.199 208 G HA2 -0.271 3.764 3.960 0.126 0.000 0.254 208 G HA3 -0.271 3.764 3.960 0.126 0.000 0.254 208 G C 0.716 175.622 174.900 0.011 0.000 0.982 208 G CA 0.454 45.555 45.100 0.002 0.000 0.632 208 G HN 0.498 nan 8.290 nan 0.000 0.529 209 L N 1.385 122.631 121.223 0.037 0.000 2.265 209 L HA -0.044 4.372 4.340 0.126 0.000 0.215 209 L C 2.609 179.491 176.870 0.020 0.000 1.117 209 L CA 1.546 56.407 54.840 0.035 0.000 0.782 209 L CB -0.474 41.642 42.059 0.095 0.000 0.914 209 L HN 0.597 nan 8.230 nan 0.000 0.441 210 N N -0.775 117.935 118.700 0.016 0.000 2.467 210 N HA -0.106 4.710 4.740 0.126 0.000 0.184 210 N C 1.259 176.771 175.510 0.002 0.000 1.106 210 N CA 1.396 54.443 53.050 -0.005 0.000 0.892 210 N CB -0.307 38.169 38.487 -0.018 0.000 0.969 210 N HN 0.362 nan 8.380 nan 0.000 0.454 211 T N -5.191 109.366 114.554 0.006 0.000 3.058 211 T HA 0.112 4.538 4.350 0.126 0.000 0.278 211 T C 0.529 175.231 174.700 0.004 0.000 0.974 211 T CA -0.384 61.719 62.100 0.005 0.000 0.893 211 T CB -0.229 68.642 68.868 0.005 0.000 1.138 211 T HN 0.043 nan 8.240 nan 0.000 0.529 212 T N 2.321 116.876 114.554 0.002 0.000 2.900 212 T HA 0.258 4.684 4.350 0.126 0.000 0.307 212 T C 1.398 176.101 174.700 0.004 0.000 1.065 212 T CA 0.434 62.532 62.100 -0.004 0.000 1.105 212 T CB 0.705 69.564 68.868 -0.015 0.000 0.979 212 T HN 0.438 nan 8.240 nan 0.000 0.544 213 S N 2.380 118.081 115.700 0.000 0.000 2.556 213 S HA 0.439 4.984 4.470 0.126 0.000 0.216 213 S C 0.895 175.500 174.600 0.009 0.000 0.970 213 S CA -0.163 58.041 58.200 0.007 0.000 0.912 213 S CB -0.083 63.120 63.200 0.004 0.000 0.790 213 S HN 0.935 nan 8.310 nan 0.000 0.504 214 A N 1.334 124.154 122.820 0.001 0.000 2.406 214 A HA 0.583 4.979 4.320 0.126 0.000 0.243 214 A C 1.118 178.718 177.584 0.026 0.000 1.082 214 A CA -0.137 51.898 52.037 -0.002 0.000 0.786 214 A CB 0.261 19.241 19.000 -0.032 0.000 1.029 214 A HN 0.351 nan 8.150 nan 0.000 0.495 215 S N -0.582 115.141 115.700 0.038 0.000 2.497 215 S HA 0.147 4.693 4.470 0.126 0.000 0.218 215 S C 0.328 175.001 174.600 0.121 0.000 1.023 215 S CA 0.635 58.886 58.200 0.085 0.000 0.913 215 S CB 0.334 63.588 63.200 0.090 0.000 0.800 215 S HN 0.790 nan 8.310 nan 0.000 0.505 216 T N 1.940 116.523 114.554 0.047 0.000 2.881 216 T HA 0.538 4.964 4.350 0.126 0.000 0.290 216 T C -0.953 173.660 174.700 -0.144 0.000 1.000 216 T CA -0.393 61.698 62.100 -0.014 0.000 0.978 216 T CB 2.242 71.054 68.868 -0.094 0.000 0.997 216 T HN -0.144 nan 8.240 nan 0.000 0.443 217 V N 3.715 123.514 119.914 -0.192 0.000 2.370 217 V HA 0.495 4.690 4.120 0.126 0.000 0.283 217 V C -0.270 175.543 176.094 -0.467 0.000 1.023 217 V CA -0.672 61.427 62.300 -0.336 0.000 0.857 217 V CB 1.648 33.282 31.823 -0.314 0.000 0.985 217 V HN 0.722 nan 8.190 nan 0.000 0.443 218 V N 5.770 125.379 119.914 -0.508 0.000 2.384 218 V HA 0.468 4.664 4.120 0.126 0.000 0.287 218 V C -0.694 175.087 176.094 -0.521 0.000 1.020 218 V CA -0.431 61.644 62.300 -0.376 0.000 0.850 218 V CB 1.386 33.065 31.823 -0.240 0.000 0.987 218 V HN 0.674 nan 8.190 nan 0.000 0.436 219 F N 4.251 124.030 119.950 -0.285 0.000 2.303 219 F HA 0.456 5.060 4.527 0.127 0.000 0.368 219 F C 0.904 176.609 175.800 -0.158 0.000 1.105 219 F CA -0.539 57.199 58.000 -0.436 0.000 1.153 219 F CB 0.567 39.165 39.000 -0.671 0.000 1.362 219 F HN 0.453 nan 8.300 nan 0.000 0.511 220 N N 3.665 122.458 118.700 0.154 0.000 2.347 220 N HA 0.244 5.059 4.740 0.126 0.000 0.253 220 N C -2.507 173.180 175.510 0.294 0.000 1.274 220 N CA -1.506 51.663 53.050 0.198 0.000 0.941 220 N CB 0.305 38.884 38.487 0.155 0.000 1.200 220 N HN 0.126 nan 8.380 nan 0.000 0.514 221 P HA 0.074 nan 4.420 nan 0.000 0.261 221 P C 0.099 177.531 177.300 0.220 0.000 1.173 221 P CA 0.876 64.077 63.100 0.168 0.000 0.760 221 P CB 0.097 31.846 31.700 0.082 0.000 0.783 222 G N 0.725 109.676 108.800 0.251 0.000 2.369 222 G HA2 0.233 4.268 3.960 0.126 0.000 0.293 222 G HA3 0.233 4.268 3.960 0.126 0.000 0.293 222 G C -1.816 173.104 174.900 0.032 0.000 1.301 222 G CA -0.760 44.382 45.100 0.070 0.000 0.913 222 G HN 0.355 nan 8.290 nan 0.000 0.540 223 V N 0.667 120.441 119.914 -0.234 0.000 2.459 223 V HA 0.748 4.943 4.120 0.126 0.000 0.295 223 V C -0.908 174.974 176.094 -0.353 0.000 1.029 223 V CA -0.562 61.678 62.300 -0.101 0.000 0.874 223 V CB 0.926 32.734 31.823 -0.025 0.000 0.985 223 V HN 0.660 nan 8.190 nan 0.000 0.438 224 Y N 4.263 124.644 120.300 0.135 0.000 2.536 224 Y HA 0.810 5.435 4.550 0.125 0.000 0.347 224 Y C -0.404 175.545 175.900 0.081 0.000 1.000 224 Y CA -1.211 56.891 58.100 0.003 0.000 1.051 224 Y CB 2.020 40.453 38.460 -0.044 0.000 1.259 224 Y HN 0.715 nan 8.280 nan 0.000 0.468 225 Y N -1.898 118.420 120.300 0.030 0.000 2.581 225 Y HA 0.626 5.252 4.550 0.126 0.000 0.337 225 Y C -1.438 174.345 175.900 -0.195 0.000 1.108 225 Y CA -2.105 56.001 58.100 0.010 0.000 1.033 225 Y CB 0.749 39.207 38.460 -0.002 0.000 1.318 225 Y HN 0.469 nan 8.280 nan 0.000 0.459 226 F N 1.377 121.389 119.950 0.105 0.000 2.682 226 F HA 0.271 4.874 4.527 0.126 0.000 0.308 226 F C 0.664 176.404 175.800 -0.101 0.000 1.093 226 F CA 0.611 58.607 58.000 -0.005 0.000 1.244 226 F CB 0.718 39.729 39.000 0.019 0.000 1.052 226 F HN 0.979 nan 8.300 nan 0.000 0.573 227 T N -2.578 112.027 114.554 0.086 0.000 0.541 227 T HA -0.181 4.245 4.350 0.126 0.000 0.774 227 T C 0.888 175.401 174.700 -0.311 0.000 0.992 227 T CA -0.095 61.923 62.100 -0.135 0.000 4.077 227 T CB -1.123 67.525 68.868 -0.367 0.000 2.303 227 T HN 0.423 nan 8.240 nan 0.000 0.398 228 G N 0.723 109.382 108.800 -0.235 0.000 3.026 228 G HA2 0.228 4.263 3.960 0.126 0.000 0.208 228 G HA3 0.228 4.263 3.960 0.126 0.000 0.208 228 G C 1.025 175.897 174.900 -0.048 0.000 1.169 228 G CA 0.647 45.622 45.100 -0.209 0.000 0.788 228 G HN 1.494 nan 8.290 nan 0.000 0.533 229 H N -1.542 117.376 119.070 -0.254 0.000 2.549 229 H HA 0.405 5.035 4.556 0.125 0.000 0.253 229 H C -1.260 173.626 175.328 -0.737 0.000 1.170 229 H CA -0.365 55.391 56.048 -0.486 0.000 0.943 229 H CB 0.684 30.410 29.762 -0.060 0.000 1.849 229 H HN 0.175 nan 8.280 nan 0.000 0.603 230 D N 0.952 120.801 120.400 -0.918 0.000 2.694 230 D HA 0.198 4.913 4.640 0.126 0.000 0.260 230 D C -1.068 175.265 176.300 0.055 0.000 1.250 230 D CA -0.296 53.520 54.000 -0.306 0.000 0.763 230 D CB 1.762 42.501 40.800 -0.101 0.000 1.311 230 D HN 0.439 nan 8.370 nan 0.000 0.420 231 H N -0.091 119.026 119.070 0.077 0.000 2.942 231 H HA 0.345 4.978 4.556 0.128 0.000 0.316 231 H C -0.942 174.172 175.328 -0.357 0.000 1.323 231 H CA -1.019 54.984 56.048 -0.075 0.000 1.144 231 H CB 0.686 30.425 29.762 -0.038 0.000 1.866 231 H HN 0.404 nan 8.280 nan 0.000 0.545 232 M N 2.838 121.939 119.600 -0.832 0.000 3.254 232 M HA 0.178 4.733 4.480 0.126 0.000 0.257 232 M C -1.075 174.948 176.300 -0.462 0.000 1.490 232 M CA -0.411 54.394 55.300 -0.824 0.000 1.620 232 M CB -0.718 31.375 32.600 -0.846 0.000 1.157 232 M HN 0.288 nan 8.290 nan 0.000 0.541 233 V N 5.752 125.387 119.914 -0.465 0.000 2.427 233 V HA 0.167 4.363 4.120 0.126 0.000 0.268 233 V C 0.222 176.218 176.094 -0.163 0.000 1.046 233 V CA -0.230 61.864 62.300 -0.344 0.000 0.970 233 V CB 0.626 32.254 31.823 -0.324 0.000 1.001 233 V HN 0.634 nan 8.190 nan 0.000 0.476 234 L N 5.360 126.500 121.223 -0.138 0.000 2.275 234 L HA 0.404 4.820 4.340 0.126 0.000 0.288 234 L C 0.967 177.842 176.870 0.009 0.000 1.046 234 L CA -0.155 54.655 54.840 -0.050 0.000 0.805 234 L CB 1.627 43.651 42.059 -0.059 0.000 1.193 234 L HN 0.813 nan 8.230 nan 0.000 0.426 235 S N 1.212 116.925 115.700 0.021 0.000 2.563 235 S HA -0.070 4.475 4.470 0.126 0.000 0.269 235 S C 1.366 176.002 174.600 0.061 0.000 1.364 235 S CA -0.022 58.196 58.200 0.031 0.000 1.010 235 S CB 0.870 64.085 63.200 0.026 0.000 0.877 235 S HN 0.781 nan 8.310 nan 0.000 0.549 236 S N 0.928 116.658 115.700 0.050 0.000 2.469 236 S HA -0.128 4.418 4.470 0.126 0.000 0.238 236 S C 1.743 176.386 174.600 0.071 0.000 0.998 236 S CA 0.950 59.187 58.200 0.060 0.000 0.957 236 S CB -1.107 62.117 63.200 0.039 0.000 0.764 236 S HN 1.138 nan 8.310 nan 0.000 0.514 237 S N 0.406 116.146 115.700 0.066 0.000 2.501 237 S HA 0.214 4.760 4.470 0.126 0.000 0.220 237 S C 0.502 175.161 174.600 0.098 0.000 0.997 237 S CA -0.235 58.006 58.200 0.068 0.000 0.919 237 S CB -0.496 62.733 63.200 0.047 0.000 0.778 237 S HN 0.296 nan 8.310 nan 0.000 0.523 238 V N 3.856 123.846 119.914 0.127 0.000 2.439 238 V HA 0.264 4.460 4.120 0.126 0.000 0.271 238 V C 1.314 177.573 176.094 0.276 0.000 1.040 238 V CA 0.590 63.001 62.300 0.185 0.000 1.002 238 V CB 0.461 32.391 31.823 0.178 0.000 1.000 238 V HN 0.693 nan 8.190 nan 0.000 0.477 239 T N 0.019 114.733 114.554 0.267 0.000 3.040 239 T HA 0.162 4.588 4.350 0.126 0.000 0.266 239 T C -0.331 174.586 174.700 0.361 0.000 1.005 239 T CA -0.231 62.012 62.100 0.239 0.000 0.906 239 T CB 0.184 69.131 68.868 0.132 0.000 1.082 239 T HN 0.533 nan 8.240 nan 0.000 0.531 240 W N 1.190 122.623 121.300 0.221 0.000 3.326 240 W HA 0.666 5.401 4.660 0.125 0.000 0.333 240 W C -2.458 174.206 176.519 0.242 0.000 1.108 240 W CA -1.995 55.489 57.345 0.232 0.000 1.245 240 W CB 1.441 30.976 29.460 0.125 0.000 1.331 240 W HN -0.041 nan 8.180 nan 0.000 0.464 241 V N 8.536 128.847 119.914 0.662 0.000 2.487 241 V HA 0.562 4.758 4.120 0.126 0.000 0.298 241 V C -2.001 174.234 176.094 0.234 0.000 1.028 241 V CA -0.638 61.815 62.300 0.255 0.000 0.860 241 V CB 1.649 33.629 31.823 0.261 0.000 0.991 241 V HN 0.363 nan 8.190 nan 0.000 0.427 242 Y N 6.974 127.112 120.300 -0.269 0.000 2.364 242 Y HA 0.705 5.331 4.550 0.127 0.000 0.340 242 Y C -1.329 174.456 175.900 -0.191 0.000 0.975 242 Y CA -1.420 56.586 58.100 -0.155 0.000 1.089 242 Y CB 1.788 40.014 38.460 -0.389 0.000 1.192 242 Y HN 0.599 nan 8.280 nan 0.000 0.454 243 F N 5.686 125.368 119.950 -0.448 0.000 2.325 243 F HA 0.656 5.259 4.527 0.127 0.000 0.369 243 F C 0.581 175.904 175.800 -0.796 0.000 1.095 243 F CA -0.743 57.018 58.000 -0.398 0.000 1.082 243 F CB 0.605 39.519 39.000 -0.143 0.000 1.289 243 F HN 0.714 nan 8.300 nan 0.000 0.462 244 A N 4.558 126.972 122.820 -0.675 0.000 2.466 244 A HA 0.445 4.841 4.320 0.126 0.000 0.238 244 A C -2.460 174.953 177.584 -0.284 0.000 1.074 244 A CA -1.322 50.444 52.037 -0.452 0.000 0.774 244 A CB -0.198 18.779 19.000 -0.039 0.000 1.015 244 A HN 0.418 nan 8.150 nan 0.000 0.498 245 P HA 0.306 nan 4.420 nan 0.000 0.267 245 P C 0.887 177.571 177.300 -1.028 0.000 1.209 245 P CA 1.833 64.362 63.100 -0.953 0.000 0.763 245 P CB 0.788 31.878 31.700 -1.016 0.000 0.816 246 G N 2.204 110.280 108.800 -1.207 0.000 2.179 246 G HA2 -0.099 3.936 3.960 0.126 0.000 0.220 246 G HA3 -0.099 3.936 3.960 0.126 0.000 0.220 246 G C 0.254 175.182 174.900 0.046 0.000 0.990 246 G CA -0.050 44.715 45.100 -0.557 0.000 0.646 246 G HN 0.815 nan 8.290 nan 0.000 0.517 247 A N -0.241 122.635 122.820 0.093 0.000 2.301 247 A HA 0.752 5.148 4.320 0.126 0.000 0.312 247 A C -0.863 176.942 177.584 0.368 0.000 1.182 247 A CA -0.448 51.778 52.037 0.315 0.000 0.826 247 A CB 0.993 20.130 19.000 0.230 0.000 1.134 247 A HN 1.285 nan 8.150 nan 0.000 0.501 248 Y N 2.594 123.064 120.300 0.283 0.000 2.363 248 Y HA 0.499 5.124 4.550 0.125 0.000 0.325 248 Y C -1.032 174.973 175.900 0.175 0.000 0.984 248 Y CA -0.544 57.634 58.100 0.130 0.000 1.248 248 Y CB 1.642 40.066 38.460 -0.060 0.000 1.116 248 Y HN 0.432 nan 8.280 nan 0.000 0.470 249 V N 6.739 126.604 119.914 -0.082 0.000 2.357 249 V HA 0.359 4.555 4.120 0.126 0.000 0.284 249 V C -0.597 175.464 176.094 -0.056 0.000 1.018 249 V CA -1.052 61.242 62.300 -0.010 0.000 0.841 249 V CB 1.344 33.068 31.823 -0.165 0.000 0.991 249 V HN 0.599 nan 8.190 nan 0.000 0.437 250 K N 4.093 124.581 120.400 0.148 0.000 2.267 250 K HA 0.697 5.093 4.320 0.126 0.000 0.282 250 K C 0.441 177.177 176.600 0.227 0.000 1.078 250 K CA 0.012 56.381 56.287 0.137 0.000 0.903 250 K CB 1.367 33.987 32.500 0.200 0.000 1.111 250 K HN 0.981 nan 8.250 nan 0.000 0.475 251 G N 0.965 109.842 108.800 0.129 0.000 2.323 251 G HA2 0.529 4.564 3.960 0.126 0.000 0.291 251 G HA3 0.529 4.564 3.960 0.126 0.000 0.291 251 G C -1.944 173.009 174.900 0.089 0.000 1.278 251 G CA -0.480 44.717 45.100 0.162 0.000 0.860 251 G HN 0.579 nan 8.290 nan 0.000 0.504 252 A N -1.094 121.683 122.820 -0.071 0.000 2.486 252 A HA 0.790 5.185 4.320 0.126 0.000 0.300 252 A C -0.990 176.451 177.584 -0.239 0.000 1.048 252 A CA -0.484 51.422 52.037 -0.218 0.000 0.696 252 A CB 1.961 20.781 19.000 -0.299 0.000 1.278 252 A HN 1.589 nan 8.150 nan 0.000 0.405 253 V N 1.678 121.409 119.914 -0.306 0.000 2.439 253 V HA 0.545 4.740 4.120 0.126 0.000 0.282 253 V C 0.122 176.095 176.094 -0.202 0.000 1.039 253 V CA -0.181 61.976 62.300 -0.238 0.000 0.913 253 V CB 1.345 33.093 31.823 -0.125 0.000 0.983 253 V HN 0.926 nan 8.190 nan 0.000 0.460 254 E N 4.174 124.223 120.200 -0.251 0.000 2.283 254 E HA 0.441 4.867 4.350 0.126 0.000 0.258 254 E C -1.592 174.841 176.600 -0.279 0.000 0.893 254 E CA -0.569 55.701 56.400 -0.216 0.000 0.798 254 E CB 1.081 30.777 29.700 -0.006 0.000 1.242 254 E HN 0.492 nan 8.360 nan 0.000 0.414 255 F N 4.023 123.882 119.950 -0.151 0.000 2.396 255 F HA 0.251 4.854 4.527 0.126 0.000 0.343 255 F C 1.151 176.877 175.800 -0.124 0.000 1.104 255 F CA -0.408 57.539 58.000 -0.088 0.000 1.161 255 F CB 0.944 39.915 39.000 -0.048 0.000 1.146 255 F HN 0.521 nan 8.300 nan 0.000 0.522 256 L N 1.050 122.348 121.223 0.124 0.000 2.590 256 L HA 0.119 4.535 4.340 0.126 0.000 0.227 256 L C 1.024 177.935 176.870 0.068 0.000 1.099 256 L CA 0.092 54.961 54.840 0.048 0.000 0.872 256 L CB 0.093 42.166 42.059 0.024 0.000 1.088 256 L HN 0.573 nan 8.230 nan 0.000 0.479 257 S N 0.428 116.204 115.700 0.127 0.000 2.549 257 S HA 0.033 4.579 4.470 0.126 0.000 0.283 257 S C 1.162 175.800 174.600 0.064 0.000 1.320 257 S CA -0.028 58.229 58.200 0.095 0.000 1.058 257 S CB 0.644 63.915 63.200 0.119 0.000 0.882 257 S HN 0.378 nan 8.310 nan 0.000 0.498 258 T N 2.314 116.895 114.554 0.045 0.000 3.176 258 T HA 0.565 4.991 4.350 0.126 0.000 0.263 258 T C 0.560 175.277 174.700 0.027 0.000 1.021 258 T CA -0.036 62.087 62.100 0.038 0.000 0.905 258 T CB -0.049 68.835 68.868 0.026 0.000 1.057 258 T HN 0.734 nan 8.240 nan 0.000 0.558 259 A N 1.176 124.011 122.820 0.024 0.000 2.366 259 A HA 0.539 4.934 4.320 0.126 0.000 0.250 259 A C 1.776 179.357 177.584 -0.005 0.000 1.099 259 A CA -0.133 51.910 52.037 0.010 0.000 0.794 259 A CB -0.053 18.956 19.000 0.015 0.000 1.056 259 A HN 0.321 nan 8.150 nan 0.000 0.499 260 S N -0.695 114.995 115.700 -0.016 0.000 2.419 260 S HA -0.078 4.467 4.470 0.126 0.000 0.235 260 S C 0.724 175.295 174.600 -0.048 0.000 1.019 260 S CA 1.786 59.967 58.200 -0.032 0.000 0.982 260 S CB -0.148 63.032 63.200 -0.034 0.000 0.789 260 S HN 0.737 nan 8.310 nan 0.000 0.490 261 E N 0.157 120.326 120.200 -0.052 0.000 2.321 261 E HA 0.446 4.872 4.350 0.126 0.000 0.278 261 E C -1.642 174.903 176.600 -0.092 0.000 0.902 261 E CA -0.672 55.680 56.400 -0.079 0.000 0.758 261 E CB 1.987 31.625 29.700 -0.103 0.000 1.213 261 E HN 0.056 nan 8.360 nan 0.000 0.426 262 V N 1.025 120.857 119.914 -0.138 0.000 2.588 262 V HA 0.734 4.930 4.120 0.126 0.000 0.304 262 V C -0.773 175.219 176.094 -0.169 0.000 1.042 262 V CA -0.853 61.261 62.300 -0.310 0.000 0.877 262 V CB 1.552 32.884 31.823 -0.819 0.000 0.996 262 V HN 0.697 nan 8.190 nan 0.000 0.425 263 K N 3.045 123.433 120.400 -0.020 0.000 2.422 263 K HA 0.899 5.295 4.320 0.126 0.000 0.251 263 K C -1.096 175.815 176.600 0.518 0.000 0.933 263 K CA -0.421 55.928 56.287 0.103 0.000 0.798 263 K CB 2.396 34.760 32.500 -0.227 0.000 1.238 263 K HN 1.270 nan 8.250 nan 0.000 0.428 264 A N 2.185 125.270 122.820 0.441 0.000 2.353 264 A HA 0.633 5.028 4.320 0.126 0.000 0.299 264 A C -1.034 176.786 177.584 0.394 0.000 1.089 264 A CA -0.492 51.917 52.037 0.621 0.000 0.736 264 A CB 1.123 20.488 19.000 0.608 0.000 1.195 264 A HN 0.820 nan 8.150 nan 0.000 0.447 265 S N 1.130 117.197 115.700 0.612 0.000 2.705 265 S HA 0.987 5.532 4.470 0.126 0.000 0.280 265 S C 0.015 174.914 174.600 0.499 0.000 1.174 265 S CA -0.210 58.272 58.200 0.470 0.000 0.823 265 S CB 1.065 64.565 63.200 0.500 0.000 1.162 265 S HN 2.710 nan 8.310 nan 0.000 0.487 266 G N 0.080 109.077 108.800 0.329 0.000 2.587 266 G HA2 0.117 4.153 3.960 0.126 0.000 0.686 266 G HA3 0.117 4.153 3.960 0.126 0.000 0.686 266 G C -0.807 174.083 174.900 -0.018 0.000 1.236 266 G CA -0.446 44.749 45.100 0.158 0.000 0.820 266 G HN 1.046 nan 8.290 nan 0.000 0.645 267 H N 0.292 119.401 119.070 0.065 0.000 2.537 267 H HA 0.435 5.067 4.556 0.126 0.000 0.295 267 H C 1.705 177.077 175.328 0.074 0.000 1.054 267 H CA 0.812 56.925 56.048 0.110 0.000 1.156 267 H CB 0.309 30.185 29.762 0.190 0.000 1.468 267 H HN 0.808 nan 8.280 nan 0.000 0.551 268 G N -0.095 108.743 108.800 0.064 0.000 2.553 268 G HA2 0.355 4.391 3.960 0.126 0.000 0.278 268 G HA3 0.355 4.391 3.960 0.126 0.000 0.278 268 G C -0.587 174.320 174.900 0.012 0.000 1.349 268 G CA -0.386 44.751 45.100 0.061 0.000 1.037 268 G HN 0.144 nan 8.290 nan 0.000 0.508 269 V N 0.017 119.887 119.914 -0.073 0.000 2.555 269 V HA 0.450 4.646 4.120 0.126 0.000 0.302 269 V C -0.623 175.173 176.094 -0.496 0.000 1.038 269 V CA -0.641 61.492 62.300 -0.278 0.000 0.887 269 V CB 1.522 33.128 31.823 -0.362 0.000 0.991 269 V HN 0.571 nan 8.190 nan 0.000 0.434 270 L N 4.356 125.257 121.223 -0.538 0.000 2.316 270 L HA 0.705 5.120 4.340 0.126 0.000 0.280 270 L C -0.103 176.537 176.870 -0.384 0.000 1.006 270 L CA 0.434 54.951 54.840 -0.539 0.000 0.836 270 L CB 1.591 43.212 42.059 -0.730 0.000 1.221 270 L HN 0.682 nan 8.230 nan 0.000 0.418 271 S N 2.704 118.208 115.700 -0.327 0.000 2.473 271 S HA 0.690 5.235 4.470 0.126 0.000 0.307 271 S C 0.735 175.332 174.600 -0.006 0.000 1.094 271 S CA -0.111 57.995 58.200 -0.157 0.000 1.070 271 S CB 1.360 64.475 63.200 -0.143 0.000 1.019 271 S HN 0.856 nan 8.310 nan 0.000 0.480 272 G N 2.838 111.689 108.800 0.084 0.000 3.448 272 G HA2 0.117 4.153 3.960 0.126 0.000 0.261 272 G HA3 0.117 4.153 3.960 0.126 0.000 0.261 272 G C 0.945 175.989 174.900 0.239 0.000 1.173 272 G CA 0.028 45.285 45.100 0.261 0.000 0.835 272 G HN 0.903 nan 8.290 nan 0.000 0.534 273 E N 0.115 120.405 120.200 0.151 0.000 2.267 273 E HA -0.233 4.193 4.350 0.126 0.000 0.197 273 E C 1.648 178.297 176.600 0.081 0.000 0.998 273 E CA 0.831 57.325 56.400 0.157 0.000 0.830 273 E CB -0.185 29.615 29.700 0.167 0.000 0.751 273 E HN 0.542 nan 8.360 nan 0.000 0.491 274 Q N -0.260 119.479 119.800 -0.101 0.000 2.432 274 Q HA 0.030 4.446 4.340 0.126 0.000 0.205 274 Q C -0.342 175.532 176.000 -0.211 0.000 0.945 274 Q CA 0.272 55.951 55.803 -0.207 0.000 0.924 274 Q CB 0.153 28.681 28.738 -0.350 0.000 1.016 274 Q HN 0.341 nan 8.270 nan 0.000 0.503 275 Y N 0.544 120.934 120.300 0.149 0.000 2.308 275 Y HA 0.209 4.833 4.550 0.123 0.000 0.329 275 Y C 0.557 176.576 175.900 0.197 0.000 1.111 275 Y CA -1.585 56.607 58.100 0.153 0.000 1.179 275 Y CB 0.644 39.181 38.460 0.129 0.000 1.201 275 Y HN -0.199 nan 8.280 nan 0.000 0.483 276 V N -0.364 119.743 119.914 0.321 0.000 3.133 276 V HA 0.169 4.365 4.120 0.126 0.000 0.305 276 V C -0.124 176.056 176.094 0.144 0.000 1.084 276 V CA -1.470 60.981 62.300 0.251 0.000 1.089 276 V CB 0.505 32.447 31.823 0.199 0.000 1.073 276 V HN 0.862 nan 8.190 nan 0.000 0.477 277 W N 3.491 124.632 121.300 -0.263 0.000 2.257 277 W HA 0.202 4.939 4.660 0.128 0.000 0.337 277 W C 0.342 176.719 176.519 -0.237 0.000 1.321 277 W CA 0.440 57.458 57.345 -0.545 0.000 1.267 277 W CB -0.526 28.367 29.460 -0.944 0.000 1.187 277 W HN 0.811 nan 8.180 nan 0.000 0.565 278 Y N 2.072 121.733 120.300 -1.065 0.000 4.177 278 Y HA -0.289 4.329 4.550 0.114 0.000 0.227 278 Y C 0.959 176.435 175.900 -0.706 0.000 1.154 278 Y CA 0.360 57.742 58.100 -1.195 0.000 1.887 278 Y CB -1.791 35.699 38.460 -1.616 0.000 1.594 278 Y HN 0.658 nan 8.280 nan 0.000 0.668 279 A N 1.204 123.880 122.820 -0.240 0.000 2.566 279 A HA 0.225 4.620 4.320 0.126 0.000 0.245 279 A C 0.430 177.864 177.584 -0.251 0.000 1.056 279 A CA 0.729 52.692 52.037 -0.123 0.000 0.757 279 A CB 0.022 19.063 19.000 0.070 0.000 0.979 279 A HN 0.375 nan 8.150 nan 0.000 0.508 280 D N 3.548 123.792 120.400 -0.260 0.000 2.412 280 D HA 0.385 5.101 4.640 0.126 0.000 0.224 280 D C -1.926 174.066 176.300 -0.513 0.000 1.093 280 D CA -2.056 51.737 54.000 -0.346 0.000 0.850 280 D CB 1.452 42.080 40.800 -0.286 0.000 1.046 280 D HN 0.135 nan 8.370 nan 0.000 0.507 281 P HA -0.049 nan 4.420 nan 0.000 0.222 281 P C 0.392 177.343 177.300 -0.581 0.000 1.147 281 P CA 0.779 63.249 63.100 -1.050 0.000 0.790 281 P CB 0.411 31.686 31.700 -0.707 0.000 0.780 282 D N -0.903 119.285 120.400 -0.354 0.000 2.340 282 D HA -0.006 4.709 4.640 0.126 0.000 0.220 282 D C 0.387 176.590 176.300 -0.161 0.000 1.039 282 D CA 0.785 54.662 54.000 -0.205 0.000 0.866 282 D CB 0.214 40.920 40.800 -0.157 0.000 0.913 282 D HN 0.207 nan 8.370 nan 0.000 0.523 283 E N -0.151 119.933 120.200 -0.192 0.000 4.044 283 E HA 0.281 4.707 4.350 0.126 0.000 0.216 283 E C 0.792 177.358 176.600 -0.057 0.000 1.104 283 E CA -0.562 55.770 56.400 -0.113 0.000 1.383 283 E CB 0.585 30.212 29.700 -0.122 0.000 1.195 283 E HN 0.126 nan 8.360 nan 0.000 0.442 284 G N 1.047 109.845 108.800 -0.003 0.000 2.187 284 G HA2 -0.407 3.628 3.960 0.126 0.000 0.261 284 G HA3 -0.407 3.628 3.960 0.126 0.000 0.261 284 G C 0.381 175.489 174.900 0.347 0.000 1.000 284 G CA 0.613 45.823 45.100 0.183 0.000 0.718 284 G HN 0.462 nan 8.290 nan 0.000 0.519 285 Y N -2.670 117.653 120.300 0.038 0.000 4.490 285 Y HA -0.237 4.387 4.550 0.124 0.000 0.233 285 Y C 1.350 177.269 175.900 0.032 0.000 1.101 285 Y CA 1.184 59.310 58.100 0.044 0.000 2.010 285 Y CB -1.691 36.868 38.460 0.164 0.000 1.622 285 Y HN 0.565 nan 8.280 nan 0.000 0.675 286 Q N 1.136 120.983 119.800 0.078 0.000 2.317 286 Q HA 0.219 4.634 4.340 0.126 0.000 0.229 286 Q C 0.535 176.499 176.000 -0.059 0.000 0.984 286 Q CA -0.705 55.119 55.803 0.035 0.000 0.911 286 Q CB 0.761 29.504 28.738 0.008 0.000 1.217 286 Q HN 0.337 nan 8.270 nan 0.000 0.501 287 K N 0.621 120.977 120.400 -0.073 0.000 2.511 287 K HA 0.101 4.497 4.320 0.126 0.000 0.280 287 K C -0.396 176.019 176.600 -0.308 0.000 1.008 287 K CA -0.065 56.103 56.287 -0.198 0.000 1.050 287 K CB 0.330 32.737 32.500 -0.155 0.000 0.889 287 K HN 0.643 nan 8.250 nan 0.000 0.484 288 A N 3.812 126.333 122.820 -0.498 0.000 2.520 288 A HA 0.087 4.483 4.320 0.126 0.000 0.235 288 A C -0.268 176.989 177.584 -0.546 0.000 1.065 288 A CA 0.034 51.733 52.037 -0.563 0.000 0.764 288 A CB 0.276 18.801 19.000 -0.792 0.000 1.002 288 A HN 0.762 nan 8.150 nan 0.000 0.502 289 S N 0.435 115.916 115.700 -0.365 0.000 2.562 289 S HA 0.517 5.063 4.470 0.126 0.000 0.275 289 S C 1.132 175.569 174.600 -0.272 0.000 1.281 289 S CA 0.380 58.420 58.200 -0.267 0.000 1.045 289 S CB 1.209 64.308 63.200 -0.168 0.000 0.962 289 S HN 2.162 nan 8.310 nan 0.000 0.503 290 G N 1.798 110.471 108.800 -0.212 0.000 2.356 290 G HA2 -0.045 3.990 3.960 0.126 0.000 0.296 290 G HA3 -0.045 3.990 3.960 0.126 0.000 0.296 290 G C 0.552 175.342 174.900 -0.184 0.000 1.022 290 G CA 0.264 45.271 45.100 -0.155 0.000 0.961 290 G HN 1.984 nan 8.290 nan 0.000 0.510 291 A N -0.849 121.771 122.820 -0.334 0.000 2.364 291 A HA -0.196 4.200 4.320 0.126 0.000 0.288 291 A C 1.563 179.078 177.584 -0.116 0.000 1.433 291 A CA 1.713 53.570 52.037 -0.300 0.000 0.757 291 A CB -1.634 17.366 19.000 0.000 0.000 1.098 291 A HN 2.300 nan 8.150 nan 0.000 0.380 292 N N 0.369 118.937 118.700 -0.219 0.000 2.515 292 N HA 0.007 4.822 4.740 0.126 0.000 0.191 292 N C 0.523 176.030 175.510 -0.005 0.000 1.182 292 N CA 0.797 53.789 53.050 -0.097 0.000 0.879 292 N CB -0.314 38.087 38.487 -0.144 0.000 0.984 292 N HN 0.912 nan 8.380 nan 0.000 0.453 293 N N -1.017 117.762 118.700 0.131 0.000 2.828 293 N HA -0.262 4.554 4.740 0.126 0.000 0.248 293 N C -0.565 174.954 175.510 0.015 0.000 1.044 293 N CA 1.030 54.172 53.050 0.152 0.000 0.851 293 N CB -1.895 36.652 38.487 0.100 0.000 1.136 293 N HN 0.542 nan 8.380 nan 0.000 0.572 294 N N -0.301 118.348 118.700 -0.085 0.000 2.279 294 N HA 0.294 5.110 4.740 0.126 0.000 0.226 294 N C 0.407 175.720 175.510 -0.328 0.000 1.126 294 N CA 0.542 53.488 53.050 -0.173 0.000 0.846 294 N CB 0.019 38.405 38.487 -0.167 0.000 1.050 294 N HN 0.437 nan 8.380 nan 0.000 0.502 295 G N 0.329 108.703 108.800 -0.708 0.000 2.491 295 G HA2 0.160 4.195 3.960 0.126 0.000 0.238 295 G HA3 0.160 4.195 3.960 0.126 0.000 0.238 295 G C -0.194 174.472 174.900 -0.390 0.000 1.277 295 G CA -0.419 44.137 45.100 -0.908 0.000 0.851 295 G HN 0.353 nan 8.290 nan 0.000 0.573 296 L N 1.325 122.333 121.223 -0.359 0.000 2.477 296 L HA 0.342 4.757 4.340 0.126 0.000 0.272 296 L C 0.770 177.509 176.870 -0.219 0.000 1.157 296 L CA -0.234 54.390 54.840 -0.359 0.000 0.889 296 L CB 0.246 41.981 42.059 -0.540 0.000 1.158 296 L HN 0.429 nan 8.230 nan 0.000 0.473 297 R N 4.128 124.518 120.500 -0.184 0.000 2.531 297 R HA 0.291 4.707 4.340 0.126 0.000 0.273 297 R C 1.043 177.228 176.300 -0.190 0.000 1.070 297 R CA -0.322 55.718 56.100 -0.099 0.000 1.112 297 R CB 0.674 30.958 30.300 -0.026 0.000 1.049 297 R HN 0.622 nan 8.270 nan 0.000 0.508 298 M N 0.248 119.734 119.600 -0.190 0.000 2.349 298 M HA 0.041 4.596 4.480 0.126 0.000 0.266 298 M C -0.390 175.547 176.300 -0.606 0.000 1.076 298 M CA 0.955 55.993 55.300 -0.436 0.000 1.126 298 M CB -0.033 32.269 32.600 -0.495 0.000 1.392 298 M HN 0.439 nan 8.290 nan 0.000 0.440 299 W N 0.558 121.898 121.300 0.065 0.000 2.715 299 W HA 0.531 5.267 4.660 0.127 0.000 0.331 299 W C -0.136 176.365 176.519 -0.030 0.000 1.031 299 W CA -0.839 56.562 57.345 0.093 0.000 1.237 299 W CB 1.227 30.871 29.460 0.307 0.000 1.378 299 W HN -0.088 nan 8.180 nan 0.000 0.454 300 R N 2.078 122.524 120.500 -0.089 0.000 2.651 300 R HA 0.860 5.275 4.340 0.126 0.000 0.278 300 R C -0.659 175.044 176.300 -0.994 0.000 1.010 300 R CA -0.491 55.325 56.100 -0.473 0.000 0.896 300 R CB 1.788 31.933 30.300 -0.259 0.000 1.211 300 R HN 0.614 nan 8.270 nan 0.000 0.456 301 G N 0.242 107.974 108.800 -1.780 0.000 2.708 301 G HA2 0.589 4.625 3.960 0.126 0.000 0.289 301 G HA3 0.589 4.625 3.960 0.126 0.000 0.289 301 G C -1.511 172.765 174.900 -1.040 0.000 1.416 301 G CA -0.566 43.559 45.100 -1.625 0.000 0.829 301 G HN 0.452 nan 8.290 nan 0.000 0.480 302 T N 1.136 115.409 114.554 -0.467 0.000 2.937 302 T HA 0.438 4.864 4.350 0.126 0.000 0.297 302 T C 0.118 174.803 174.700 -0.025 0.000 0.991 302 T CA -0.310 61.679 62.100 -0.186 0.000 0.990 302 T CB 1.058 69.855 68.868 -0.118 0.000 0.991 302 T HN 0.396 nan 8.240 nan 0.000 0.440 303 L N 2.141 123.398 121.223 0.056 0.000 2.464 303 L HA 0.592 5.007 4.340 0.126 0.000 0.264 303 L C 1.330 178.216 176.870 0.027 0.000 1.199 303 L CA -0.108 54.774 54.840 0.070 0.000 0.818 303 L CB 0.436 42.531 42.059 0.060 0.000 1.102 303 L HN 0.789 nan 8.230 nan 0.000 0.473 304 G N 0.099 108.913 108.800 0.022 0.000 3.099 304 G HA2 0.087 4.122 3.960 0.126 0.000 0.151 304 G HA3 0.087 4.122 3.960 0.126 0.000 0.151 304 G C 0.311 175.214 174.900 0.006 0.000 1.265 304 G CA -0.241 44.866 45.100 0.012 0.000 0.981 304 G HN 0.702 nan 8.290 nan 0.000 0.601 305 N N -0.499 118.203 118.700 0.003 0.000 2.235 305 N HA 0.120 4.936 4.740 0.126 0.000 0.209 305 N C 0.120 175.627 175.510 -0.005 0.000 1.122 305 N CA 0.198 53.248 53.050 -0.000 0.000 0.845 305 N CB 0.315 38.803 38.487 0.001 0.000 1.004 305 N HN 0.372 nan 8.380 nan 0.000 0.499 306 S N -1.585 114.112 115.700 -0.006 0.000 2.599 306 S HA 0.582 5.127 4.470 0.126 0.000 0.287 306 S C -0.391 174.197 174.600 -0.020 0.000 1.105 306 S CA -0.777 57.416 58.200 -0.012 0.000 0.899 306 S CB 1.414 64.609 63.200 -0.009 0.000 1.100 306 S HN 0.048 nan 8.310 nan 0.000 0.482 307 S N 1.305 116.987 115.700 -0.029 0.000 2.558 307 S HA 0.250 4.796 4.470 0.126 0.000 0.288 307 S C -0.162 174.411 174.600 -0.046 0.000 1.318 307 S CA -0.286 57.886 58.200 -0.046 0.000 1.056 307 S CB 0.158 63.329 63.200 -0.048 0.000 0.853 307 S HN 0.733 nan 8.310 nan 0.000 0.505 308 Q N 0.961 120.721 119.800 -0.067 0.000 2.315 308 Q HA 0.426 4.842 4.340 0.126 0.000 0.273 308 Q C -1.642 174.293 176.000 -0.109 0.000 1.053 308 Q CA -0.531 55.235 55.803 -0.062 0.000 0.817 308 Q CB 1.668 30.400 28.738 -0.009 0.000 1.326 308 Q HN 0.602 nan 8.270 nan 0.000 0.423 309 T N 3.379 117.874 114.554 -0.097 0.000 2.779 309 T HA 0.405 4.831 4.350 0.126 0.000 0.280 309 T C -1.332 173.317 174.700 -0.085 0.000 0.987 309 T CA -0.312 61.718 62.100 -0.118 0.000 0.966 309 T CB 0.390 69.188 68.868 -0.117 0.000 0.933 309 T HN 0.406 nan 8.240 nan 0.000 0.442 310 F N 5.048 124.796 119.950 -0.336 0.000 2.361 310 F HA 0.581 5.183 4.527 0.125 0.000 0.364 310 F C -0.776 174.837 175.800 -0.311 0.000 1.120 310 F CA -1.597 56.185 58.000 -0.363 0.000 1.102 310 F CB 0.379 39.022 39.000 -0.595 0.000 1.183 310 F HN 0.227 nan 8.300 nan 0.000 0.476 311 V N 8.002 127.652 119.914 -0.439 0.000 2.370 311 V HA 0.373 4.568 4.120 0.126 0.000 0.279 311 V C -0.745 174.874 176.094 -0.793 0.000 1.029 311 V CA -0.676 61.297 62.300 -0.545 0.000 0.870 311 V CB 1.190 32.815 31.823 -0.329 0.000 0.984 311 V HN 0.622 nan 8.190 nan 0.000 0.451 312 L N 5.928 126.596 121.223 -0.924 0.000 2.372 312 L HA 0.671 5.087 4.340 0.126 0.000 0.274 312 L C -0.737 175.837 176.870 -0.494 0.000 0.988 312 L CA 0.103 54.403 54.840 -0.901 0.000 0.833 312 L CB 1.477 42.692 42.059 -1.405 0.000 1.236 312 L HN 0.659 nan 8.230 nan 0.000 0.410 313 N N 3.157 121.701 118.700 -0.259 0.000 2.397 313 N HA 0.507 5.322 4.740 0.126 0.000 0.291 313 N C 0.616 176.062 175.510 -0.106 0.000 1.065 313 N CA 0.557 53.523 53.050 -0.140 0.000 0.884 313 N CB 2.283 40.719 38.487 -0.086 0.000 1.551 313 N HN 0.845 nan 8.380 nan 0.000 0.487 314 G N 1.406 110.106 108.800 -0.168 0.000 2.435 314 G HA2 -0.305 3.731 3.960 0.126 0.000 0.245 314 G HA3 -0.305 3.731 3.960 0.126 0.000 0.245 314 G C 0.138 174.862 174.900 -0.294 0.000 1.073 314 G CA 0.663 45.471 45.100 -0.487 0.000 0.638 314 G HN 0.585 nan 8.290 nan 0.000 0.521 315 V N 1.797 121.685 119.914 -0.045 0.000 2.901 315 V HA 0.406 4.601 4.120 0.126 0.000 0.307 315 V C 0.934 177.018 176.094 -0.016 0.000 1.084 315 V CA 1.144 63.468 62.300 0.038 0.000 1.184 315 V CB 1.273 33.206 31.823 0.183 0.000 0.941 315 V HN 0.379 nan 8.190 nan 0.000 0.493 316 T N 4.059 118.564 114.554 -0.082 0.000 2.770 316 T HA 0.475 4.901 4.350 0.126 0.000 0.283 316 T C -0.382 174.192 174.700 -0.211 0.000 0.988 316 T CA -0.267 61.713 62.100 -0.200 0.000 0.957 316 T CB 1.401 70.245 68.868 -0.041 0.000 0.930 316 T HN 0.393 nan 8.240 nan 0.000 0.443 317 V N 3.299 123.064 119.914 -0.248 0.000 2.427 317 V HA 0.673 4.869 4.120 0.126 0.000 0.286 317 V C 0.114 176.070 176.094 -0.229 0.000 1.034 317 V CA -0.332 61.868 62.300 -0.165 0.000 0.893 317 V CB 1.843 33.695 31.823 0.049 0.000 0.982 317 V HN 0.885 nan 8.190 nan 0.000 0.452 318 S N 3.751 119.333 115.700 -0.195 0.000 2.542 318 S HA 0.714 5.260 4.470 0.126 0.000 0.293 318 S C 0.175 174.764 174.600 -0.019 0.000 1.089 318 S CA 0.163 58.268 58.200 -0.159 0.000 0.961 318 S CB 1.553 64.691 63.200 -0.103 0.000 1.062 318 S HN 2.215 nan 8.310 nan 0.000 0.483 319 A N 3.060 125.896 122.820 0.027 0.000 2.519 319 A HA -0.068 4.328 4.320 0.126 0.000 0.297 319 A C -2.399 175.287 177.584 0.170 0.000 1.472 319 A CA 0.468 52.575 52.037 0.116 0.000 0.739 319 A CB -1.930 17.174 19.000 0.173 0.000 1.096 319 A HN 0.561 nan 8.150 nan 0.000 0.414 320 P HA 0.195 nan 4.420 nan 0.000 0.271 320 P C -1.965 175.523 177.300 0.312 0.000 1.216 320 P CA -1.256 61.935 63.100 0.152 0.000 0.771 320 P CB 0.651 32.401 31.700 0.084 0.000 0.864 321 P HA 0.092 nan 4.420 nan 0.000 0.240 321 P C 0.163 177.606 177.300 0.239 0.000 1.190 321 P CA 0.696 63.994 63.100 0.331 0.000 0.781 321 P CB 0.342 32.165 31.700 0.204 0.000 0.931 322 F N -0.893 119.020 119.950 -0.062 0.000 3.881 322 F HA 0.295 4.891 4.527 0.115 0.000 0.331 322 F C -0.677 175.058 175.800 -0.108 0.000 1.173 322 F CA -1.072 56.798 58.000 -0.217 0.000 0.897 322 F CB 0.386 39.105 39.000 -0.469 0.000 1.707 322 F HN -0.442 nan 8.300 nan 0.000 0.522 323 N N 1.068 119.356 118.700 -0.686 0.000 2.407 323 N HA 0.026 4.842 4.740 0.126 0.000 0.250 323 N C 0.583 176.024 175.510 -0.115 0.000 1.236 323 N CA 0.567 53.356 53.050 -0.436 0.000 0.879 323 N CB 1.085 39.300 38.487 -0.453 0.000 1.088 323 N HN 0.550 nan 8.380 nan 0.000 0.450 324 S N 2.760 118.440 115.700 -0.033 0.000 2.402 324 S HA -0.085 4.461 4.470 0.126 0.000 0.229 324 S C 0.721 175.437 174.600 0.195 0.000 1.021 324 S CA 0.797 59.054 58.200 0.096 0.000 0.974 324 S CB 0.190 63.509 63.200 0.199 0.000 0.800 324 S HN 0.661 nan 8.310 nan 0.000 0.484 325 M N 0.839 120.552 119.600 0.189 0.000 2.426 325 M HA 0.442 4.998 4.480 0.126 0.000 0.289 325 M C -2.697 173.764 176.300 0.269 0.000 1.168 325 M CA -0.141 55.345 55.300 0.311 0.000 0.933 325 M CB 2.082 34.976 32.600 0.491 0.000 1.750 325 M HN 0.100 nan 8.290 nan 0.000 0.494 326 D N 2.641 123.256 120.400 0.358 0.000 2.836 326 D HA 0.318 5.034 4.640 0.126 0.000 0.215 326 D C -1.798 174.797 176.300 0.492 0.000 1.255 326 D CA -0.104 54.140 54.000 0.407 0.000 0.822 326 D CB 2.029 42.967 40.800 0.229 0.000 1.656 326 D HN 0.615 nan 8.370 nan 0.000 0.511 327 W N 0.875 122.302 121.300 0.212 0.000 2.448 327 W HA 0.351 5.085 4.660 0.125 0.000 0.339 327 W C 0.070 176.598 176.519 0.015 0.000 1.124 327 W CA -0.517 56.859 57.345 0.052 0.000 1.262 327 W CB 2.032 31.431 29.460 -0.101 0.000 1.251 327 W HN 0.149 nan 8.180 nan 0.000 0.597 328 S N 0.924 116.631 115.700 0.012 0.000 2.578 328 S HA 0.825 5.370 4.470 0.126 0.000 0.283 328 S C 0.029 174.645 174.600 0.027 0.000 1.195 328 S CA -0.280 57.924 58.200 0.006 0.000 1.050 328 S CB 1.644 64.807 63.200 -0.061 0.000 1.012 328 S HN 0.719 nan 8.310 nan 0.000 0.511 329 G N 1.881 110.699 108.800 0.031 0.000 2.352 329 G HA2 0.085 4.121 3.960 0.126 0.000 0.305 329 G HA3 0.085 4.121 3.960 0.126 0.000 0.305 329 G C -0.337 174.581 174.900 0.030 0.000 1.537 329 G CA -0.951 44.163 45.100 0.024 0.000 0.959 329 G HN 0.578 nan 8.290 nan 0.000 0.668 330 N N -0.655 118.059 118.700 0.024 0.000 2.250 330 N HA 0.115 4.930 4.740 0.126 0.000 0.181 330 N C 0.764 176.296 175.510 0.036 0.000 1.017 330 N CA 1.096 54.164 53.050 0.032 0.000 0.866 330 N CB 0.238 38.740 38.487 0.025 0.000 0.985 330 N HN 0.323 nan 8.380 nan 0.000 0.429 331 S N 0.449 116.160 115.700 0.019 0.000 2.601 331 S HA 0.323 4.869 4.470 0.126 0.000 0.312 331 S C 0.527 175.109 174.600 -0.030 0.000 1.107 331 S CA -0.460 57.748 58.200 0.014 0.000 1.129 331 S CB 0.884 64.089 63.200 0.009 0.000 0.982 331 S HN 0.168 nan 8.310 nan 0.000 0.469 332 L N 2.253 123.456 121.223 -0.034 0.000 2.612 332 L HA 0.049 4.465 4.340 0.126 0.000 0.230 332 L C 1.759 178.486 176.870 -0.239 0.000 1.140 332 L CA 0.244 54.960 54.840 -0.207 0.000 0.896 332 L CB -0.236 41.702 42.059 -0.201 0.000 1.065 332 L HN 0.613 nan 8.230 nan 0.000 0.447 333 D N 0.009 120.362 120.400 -0.078 0.000 2.347 333 D HA -0.126 4.589 4.640 0.126 0.000 0.215 333 D C 1.625 177.872 176.300 -0.088 0.000 0.976 333 D CA 0.539 54.511 54.000 -0.046 0.000 0.884 333 D CB 0.232 41.048 40.800 0.027 0.000 0.915 333 D HN 0.279 nan 8.370 nan 0.000 0.526 334 L N 0.080 121.232 121.223 -0.118 0.000 2.592 334 L HA 0.286 4.702 4.340 0.126 0.000 0.227 334 L C 0.495 177.270 176.870 -0.159 0.000 1.127 334 L CA -0.015 54.761 54.840 -0.106 0.000 0.884 334 L CB -0.091 41.925 42.059 -0.070 0.000 1.065 334 L HN 0.051 nan 8.230 nan 0.000 0.457 335 I N -1.709 118.697 120.570 -0.273 0.000 2.460 335 I HA 0.571 4.816 4.170 0.126 0.000 0.298 335 I C -0.034 175.921 176.117 -0.270 0.000 0.989 335 I CA 0.097 61.181 61.300 -0.360 0.000 1.173 335 I CB 1.878 39.464 38.000 -0.690 0.000 1.338 335 I HN -0.091 nan 8.210 nan 0.000 0.456 336 T N 5.666 120.099 114.554 -0.201 0.000 2.883 336 T HA 0.672 5.097 4.350 0.126 0.000 0.301 336 T C -1.516 173.104 174.700 -0.133 0.000 1.158 336 T CA -0.393 61.639 62.100 -0.113 0.000 1.007 336 T CB 0.618 69.429 68.868 -0.094 0.000 1.186 336 T HN 0.726 nan 8.240 nan 0.000 0.499 337 C N 2.948 122.175 119.300 -0.123 0.000 2.561 337 C HA 0.825 5.361 4.460 0.126 0.000 0.319 337 C C -0.569 174.289 174.990 -0.220 0.000 1.198 337 C CA -1.065 57.836 59.018 -0.195 0.000 1.665 337 C CB 1.280 28.901 27.740 -0.199 0.000 2.258 337 C HN 0.763 nan 8.230 nan 0.000 0.493 338 R N 1.905 122.219 120.500 -0.309 0.000 2.472 338 R HA 0.533 4.948 4.340 0.126 0.000 0.294 338 R C -1.520 174.561 176.300 -0.365 0.000 1.243 338 R CA -0.223 55.714 56.100 -0.272 0.000 1.023 338 R CB 1.283 31.444 30.300 -0.232 0.000 1.157 338 R HN 0.595 nan 8.270 nan 0.000 0.530 339 V N 2.901 122.619 119.914 -0.326 0.000 2.459 339 V HA 0.516 4.711 4.120 0.126 0.000 0.295 339 V C -0.027 175.926 176.094 -0.235 0.000 1.029 339 V CA -0.593 61.488 62.300 -0.365 0.000 0.874 339 V CB 2.195 33.786 31.823 -0.386 0.000 0.985 339 V HN 0.538 nan 8.190 nan 0.000 0.438 340 D N 2.771 123.050 120.400 -0.203 0.000 2.837 340 D HA 0.221 4.936 4.640 0.126 0.000 0.220 340 D C -0.749 175.509 176.300 -0.069 0.000 1.236 340 D CA -0.331 53.598 54.000 -0.118 0.000 0.838 340 D CB 2.184 42.928 40.800 -0.093 0.000 1.647 340 D HN 0.708 nan 8.370 nan 0.000 0.486 341 D N 1.360 121.732 120.400 -0.047 0.000 2.697 341 D HA -0.277 4.439 4.640 0.126 0.000 0.235 341 D C -1.429 174.846 176.300 -0.041 0.000 1.167 341 D CA 1.027 55.014 54.000 -0.022 0.000 0.656 341 D CB -1.437 39.401 40.800 0.064 0.000 1.025 341 D HN 0.352 nan 8.370 nan 0.000 0.419 342 Y N 0.215 120.376 120.300 -0.232 0.000 2.485 342 Y HA 0.629 5.254 4.550 0.125 0.000 0.345 342 Y C -0.694 175.021 175.900 -0.309 0.000 0.998 342 Y CA -0.806 57.142 58.100 -0.253 0.000 1.059 342 Y CB 1.273 39.581 38.460 -0.253 0.000 1.234 342 Y HN -0.102 nan 8.280 nan 0.000 0.461 343 K N 3.633 123.380 120.400 -1.088 0.000 2.469 343 K HA 0.410 4.806 4.320 0.126 0.000 0.254 343 K C -1.700 174.391 176.600 -0.849 0.000 0.939 343 K CA -0.911 54.843 56.287 -0.889 0.000 0.812 343 K CB 2.093 33.998 32.500 -0.992 0.000 1.301 343 K HN 0.616 nan 8.250 nan 0.000 0.433 344 Q N 1.870 121.460 119.800 -0.350 0.000 2.327 344 Q HA 0.613 5.029 4.340 0.126 0.000 0.270 344 Q C -1.131 174.889 176.000 0.032 0.000 1.022 344 Q CA -0.832 54.890 55.803 -0.134 0.000 0.773 344 Q CB 1.509 30.314 28.738 0.112 0.000 1.251 344 Q HN 0.584 nan 8.270 nan 0.000 0.457 345 V N 0.142 119.965 119.914 -0.152 0.000 3.126 345 V HA 0.889 5.085 4.120 0.126 0.000 0.314 345 V C 0.618 176.582 176.094 -0.216 0.000 1.138 345 V CA -0.099 62.081 62.300 -0.200 0.000 1.034 345 V CB 1.354 32.797 31.823 -0.634 0.000 1.075 345 V HN 0.988 nan 8.190 nan 0.000 0.442 346 G N 0.608 109.235 108.800 -0.288 0.000 2.341 346 G HA2 -0.010 4.026 3.960 0.126 0.000 0.292 346 G HA3 -0.010 4.026 3.960 0.126 0.000 0.292 346 G C 0.489 175.205 174.900 -0.308 0.000 1.021 346 G CA 0.526 45.424 45.100 -0.336 0.000 0.905 346 G HN 2.240 nan 8.290 nan 0.000 0.508 347 A N -0.378 122.326 122.820 -0.194 0.000 3.168 347 A HA 0.708 5.104 4.320 0.126 0.000 0.260 347 A C 1.017 178.383 177.584 -0.364 0.000 1.598 347 A CA -0.160 51.742 52.037 -0.225 0.000 1.285 347 A CB -0.377 18.499 19.000 -0.207 0.000 1.149 347 A HN 0.466 nan 8.150 nan 0.000 0.630 348 F N -0.528 119.390 119.950 -0.054 0.000 2.558 348 F HA 0.035 4.635 4.527 0.120 0.000 0.298 348 F C 0.522 176.269 175.800 -0.087 0.000 1.119 348 F CA 0.335 58.280 58.000 -0.093 0.000 1.451 348 F CB -0.256 38.668 39.000 -0.128 0.000 1.091 348 F HN 0.414 nan 8.300 nan 0.000 0.563 349 Y N 0.739 121.138 120.300 0.165 0.000 2.314 349 Y HA 0.409 5.034 4.550 0.125 0.000 0.334 349 Y C 1.130 177.046 175.900 0.027 0.000 1.266 349 Y CA -1.189 56.949 58.100 0.062 0.000 1.391 349 Y CB -0.176 38.421 38.460 0.229 0.000 1.306 349 Y HN -0.109 nan 8.280 nan 0.000 0.558 350 G N 0.057 108.925 108.800 0.113 0.000 2.606 350 G HA2 0.267 4.302 3.960 0.126 0.000 0.252 350 G HA3 0.267 4.302 3.960 0.126 0.000 0.252 350 G C -0.500 174.602 174.900 0.338 0.000 1.206 350 G CA -0.523 44.663 45.100 0.144 0.000 0.861 350 G HN 0.828 nan 8.290 nan 0.000 0.561 351 Q N -1.675 118.234 119.800 0.180 0.000 2.481 351 Q HA -0.194 4.221 4.340 0.126 0.000 0.272 351 Q C 0.527 176.433 176.000 -0.157 0.000 1.157 351 Q CA 0.911 56.708 55.803 -0.010 0.000 0.935 351 Q CB -2.143 26.575 28.738 -0.033 0.000 1.338 351 Q HN 0.779 nan 8.270 nan 0.000 0.494 352 T N -2.167 112.363 114.554 -0.040 0.000 3.540 352 T HA 0.311 4.736 4.350 0.126 0.000 0.269 352 T C -0.051 174.573 174.700 -0.128 0.000 1.481 352 T CA -0.748 61.316 62.100 -0.060 0.000 1.224 352 T CB 0.170 69.045 68.868 0.012 0.000 1.192 352 T HN 0.018 nan 8.240 nan 0.000 0.756 353 D N 1.814 122.105 120.400 -0.181 0.000 2.443 353 D HA 0.355 5.071 4.640 0.126 0.000 0.234 353 D C 1.249 177.427 176.300 -0.203 0.000 1.172 353 D CA 0.396 54.284 54.000 -0.186 0.000 0.878 353 D CB 0.305 40.998 40.800 -0.178 0.000 1.204 353 D HN 0.524 nan 8.370 nan 0.000 0.453 354 G N -0.013 108.577 108.800 -0.350 0.000 2.611 354 G HA2 0.397 4.432 3.960 0.126 0.000 0.273 354 G HA3 0.397 4.432 3.960 0.126 0.000 0.273 354 G C 0.067 174.864 174.900 -0.173 0.000 1.305 354 G CA -0.741 44.032 45.100 -0.545 0.000 1.010 354 G HN 0.402 nan 8.290 nan 0.000 0.509 355 L N -0.186 121.053 121.223 0.026 0.000 2.476 355 L HA 0.211 4.626 4.340 0.126 0.000 0.264 355 L C 0.513 177.335 176.870 -0.080 0.000 1.224 355 L CA -0.431 54.452 54.840 0.071 0.000 0.821 355 L CB 0.296 42.422 42.059 0.112 0.000 1.101 355 L HN 0.343 nan 8.230 nan 0.000 0.488 356 E N 1.843 121.957 120.200 -0.144 0.000 2.283 356 E HA 0.318 4.743 4.350 0.126 0.000 0.278 356 E C -0.682 175.641 176.600 -0.462 0.000 1.027 356 E CA -0.077 56.104 56.400 -0.365 0.000 0.843 356 E CB 1.557 30.861 29.700 -0.660 0.000 1.062 356 E HN 0.425 nan 8.360 nan 0.000 0.401 357 M N 3.577 122.978 119.600 -0.332 0.000 2.131 357 M HA 0.225 4.780 4.480 0.126 0.000 0.345 357 M C -0.950 175.261 176.300 -0.148 0.000 1.060 357 M CA -0.600 54.583 55.300 -0.195 0.000 1.011 357 M CB 0.321 32.908 32.600 -0.022 0.000 1.328 357 M HN 0.337 nan 8.290 nan 0.000 0.396 358 Y N 1.876 122.078 120.300 -0.163 0.000 2.335 358 Y HA 0.196 4.821 4.550 0.126 0.000 0.348 358 Y C -1.839 173.946 175.900 -0.192 0.000 1.280 358 Y CA -1.805 56.031 58.100 -0.440 0.000 1.504 358 Y CB -0.421 37.728 38.460 -0.518 0.000 1.366 358 Y HN 0.427 nan 8.280 nan 0.000 0.621 359 P HA -0.011 nan 4.420 nan 0.000 0.261 359 P C 0.573 177.889 177.300 0.028 0.000 1.165 359 P CA 2.241 65.389 63.100 0.079 0.000 0.759 359 P CB 0.108 31.849 31.700 0.067 0.000 0.772 360 G N 1.634 110.456 108.800 0.038 0.000 2.179 360 G HA2 -0.257 3.779 3.960 0.126 0.000 0.260 360 G HA3 -0.257 3.779 3.960 0.126 0.000 0.260 360 G C 0.446 175.340 174.900 -0.009 0.000 0.977 360 G CA 0.211 45.314 45.100 0.006 0.000 0.641 360 G HN 0.600 nan 8.290 nan 0.000 0.533 361 T N 0.753 115.306 114.554 -0.002 0.000 2.946 361 T HA 0.414 4.839 4.350 0.126 0.000 0.311 361 T C 0.613 175.299 174.700 -0.024 0.000 1.063 361 T CA 0.675 62.756 62.100 -0.033 0.000 1.139 361 T CB 0.847 69.692 68.868 -0.037 0.000 0.994 361 T HN 0.352 nan 8.240 nan 0.000 0.547 362 I N 3.605 124.138 120.570 -0.062 0.000 2.439 362 I HA 0.456 4.701 4.170 0.126 0.000 0.285 362 I C -0.603 175.459 176.117 -0.090 0.000 1.021 362 I CA -0.583 60.685 61.300 -0.054 0.000 1.091 362 I CB 1.506 39.469 38.000 -0.062 0.000 1.242 362 I HN 0.371 nan 8.210 nan 0.000 0.439 363 L N 8.002 129.180 121.223 -0.075 0.000 2.385 363 L HA 0.599 5.014 4.340 0.126 0.000 0.273 363 L C -1.225 175.585 176.870 -0.099 0.000 0.990 363 L CA 0.046 54.819 54.840 -0.112 0.000 0.821 363 L CB 1.514 43.505 42.059 -0.114 0.000 1.279 363 L HN 0.691 nan 8.230 nan 0.000 0.412 364 Q N 2.950 122.682 119.800 -0.112 0.000 2.482 364 Q HA 0.390 4.806 4.340 0.126 0.000 0.286 364 Q C -1.551 174.386 176.000 -0.105 0.000 1.007 364 Q CA -1.027 54.717 55.803 -0.098 0.000 0.801 364 Q CB 1.837 30.530 28.738 -0.074 0.000 1.455 364 Q HN 0.625 nan 8.270 nan 0.000 0.398 365 D N -0.083 120.257 120.400 -0.100 0.000 2.828 365 D HA -0.106 4.609 4.640 0.126 0.000 0.241 365 D C -1.080 175.149 176.300 -0.118 0.000 1.142 365 D CA 0.602 54.547 54.000 -0.092 0.000 0.755 365 D CB -1.165 39.589 40.800 -0.076 0.000 1.014 365 D HN 0.337 nan 8.370 nan 0.000 0.420 366 V N 0.799 120.614 119.914 -0.165 0.000 2.823 366 V HA 0.673 4.869 4.120 0.126 0.000 0.312 366 V C -0.228 175.707 176.094 -0.264 0.000 1.072 366 V CA -1.029 61.110 62.300 -0.269 0.000 0.937 366 V CB 2.492 34.062 31.823 -0.421 0.000 1.013 366 V HN 0.219 nan 8.190 nan 0.000 0.430 367 F N 3.878 123.549 119.950 -0.465 0.000 2.493 367 F HA 0.744 5.347 4.527 0.125 0.000 0.329 367 F C -1.520 174.103 175.800 -0.294 0.000 1.126 367 F CA -0.570 57.249 58.000 -0.302 0.000 0.937 367 F CB 1.310 40.142 39.000 -0.281 0.000 1.146 367 F HN 0.396 nan 8.300 nan 0.000 0.442 368 Y N 5.004 124.806 120.300 -0.830 0.000 2.338 368 Y HA 0.303 4.930 4.550 0.128 0.000 0.333 368 Y C -0.852 174.710 175.900 -0.563 0.000 0.968 368 Y CA -0.975 56.816 58.100 -0.515 0.000 1.123 368 Y CB 0.995 39.285 38.460 -0.282 0.000 1.165 368 Y HN 0.605 nan 8.280 nan 0.000 0.452 369 H N 1.608 120.574 119.070 -0.172 0.000 2.541 369 H HA 0.614 5.246 4.556 0.127 0.000 0.316 369 H C -0.958 174.304 175.328 -0.109 0.000 1.043 369 H CA -0.207 55.775 56.048 -0.111 0.000 1.232 369 H CB 1.276 30.994 29.762 -0.072 0.000 1.406 369 H HN 0.609 nan 8.280 nan 0.000 0.469 370 T N 3.203 117.540 114.554 -0.362 0.000 2.956 370 T HA 0.164 4.590 4.350 0.126 0.000 0.312 370 T C -0.516 174.013 174.700 -0.286 0.000 1.151 370 T CA -0.742 61.164 62.100 -0.323 0.000 1.024 370 T CB 1.275 69.992 68.868 -0.251 0.000 1.140 370 T HN 0.681 nan 8.240 nan 0.000 0.473 371 D N 2.509 122.781 120.400 -0.213 0.000 2.501 371 D HA 0.346 5.061 4.640 0.126 0.000 0.226 371 D C 0.037 176.320 176.300 -0.028 0.000 1.198 371 D CA 0.006 53.939 54.000 -0.111 0.000 0.830 371 D CB 0.314 41.072 40.800 -0.070 0.000 1.014 371 D HN 0.550 nan 8.370 nan 0.000 0.496 372 D N -1.070 119.305 120.400 -0.042 0.000 3.103 372 D HA 0.022 4.738 4.640 0.126 0.000 0.337 372 D C -1.035 175.266 176.300 0.001 0.000 1.356 372 D CA -0.451 53.561 54.000 0.020 0.000 0.951 372 D CB 0.955 41.765 40.800 0.016 0.000 1.438 372 D HN -0.196 nan 8.370 nan 0.000 0.562 373 D N 0.203 120.634 120.400 0.050 0.000 2.662 373 D HA 0.121 4.837 4.640 0.126 0.000 0.233 373 D C 0.736 176.973 176.300 -0.106 0.000 1.129 373 D CA 0.553 54.576 54.000 0.039 0.000 0.851 373 D CB 1.027 41.912 40.800 0.142 0.000 1.152 373 D HN 0.445 nan 8.370 nan 0.000 0.507 374 G N 2.686 111.410 108.800 -0.127 0.000 2.655 374 G HA2 0.043 4.079 3.960 0.126 0.000 0.217 374 G HA3 0.043 4.079 3.960 0.126 0.000 0.217 374 G C 0.542 175.242 174.900 -0.333 0.000 1.279 374 G CA -0.267 44.666 45.100 -0.278 0.000 0.870 374 G HN 0.460 nan 8.290 nan 0.000 0.560 375 L N 1.757 122.868 121.223 -0.187 0.000 2.270 375 L HA 0.340 4.756 4.340 0.126 0.000 0.286 375 L C -0.539 176.293 176.870 -0.064 0.000 1.059 375 L CA -0.346 54.379 54.840 -0.190 0.000 0.839 375 L CB 1.365 43.254 42.059 -0.283 0.000 1.221 375 L HN 0.127 nan 8.230 nan 0.000 0.431 376 K N 4.597 124.878 120.400 -0.198 0.000 2.219 376 K HA 0.255 4.651 4.320 0.126 0.000 0.280 376 K C 0.000 176.404 176.600 -0.327 0.000 1.104 376 K CA 0.006 56.016 56.287 -0.462 0.000 0.925 376 K CB 0.930 32.919 32.500 -0.851 0.000 1.261 376 K HN 0.537 nan 8.250 nan 0.000 0.445 377 M N 4.545 124.197 119.600 0.086 0.000 3.213 377 M HA 0.090 4.645 4.480 0.126 0.000 0.275 377 M C -0.863 175.654 176.300 0.361 0.000 1.424 377 M CA -0.045 55.435 55.300 0.298 0.000 1.561 377 M CB 0.143 32.938 32.600 0.325 0.000 1.109 377 M HN 0.593 nan 8.290 nan 0.000 0.552 378 Y N 1.700 122.035 120.300 0.059 0.000 2.445 378 Y HA 0.287 4.911 4.550 0.124 0.000 0.247 378 Y C -0.686 174.868 175.900 -0.577 0.000 1.129 378 Y CA -0.605 57.343 58.100 -0.253 0.000 1.251 378 Y CB -0.108 38.102 38.460 -0.417 0.000 1.176 378 Y HN 0.387 nan 8.280 nan 0.000 0.522 379 Y N -1.139 119.307 120.300 0.243 0.000 2.545 379 Y HA 0.544 5.169 4.550 0.125 0.000 0.348 379 Y C 0.540 176.499 175.900 0.098 0.000 1.002 379 Y CA -1.668 56.533 58.100 0.168 0.000 1.039 379 Y CB 1.415 39.984 38.460 0.181 0.000 1.271 379 Y HN -0.374 nan 8.280 nan 0.000 0.467 380 S N 1.680 117.519 115.700 0.232 0.000 2.614 380 S HA 0.115 4.660 4.470 0.126 0.000 0.265 380 S C -0.061 174.595 174.600 0.093 0.000 1.303 380 S CA -0.542 57.724 58.200 0.110 0.000 1.000 380 S CB 0.042 63.287 63.200 0.075 0.000 0.935 380 S HN 0.805 nan 8.310 nan 0.000 0.551 381 N N -0.620 118.101 118.700 0.035 0.000 2.740 381 N HA -0.137 4.679 4.740 0.126 0.000 0.248 381 N C -0.999 174.537 175.510 0.043 0.000 1.062 381 N CA 0.373 53.436 53.050 0.022 0.000 0.704 381 N CB -1.682 36.816 38.487 0.018 0.000 0.968 381 N HN 0.288 nan 8.380 nan 0.000 0.547 382 V N 0.288 120.243 119.914 0.068 0.000 2.532 382 V HA 0.537 4.733 4.120 0.126 0.000 0.295 382 V C 0.696 176.872 176.094 0.136 0.000 1.041 382 V CA -0.166 62.204 62.300 0.117 0.000 0.926 382 V CB 2.232 34.178 31.823 0.204 0.000 0.992 382 V HN 0.202 nan 8.190 nan 0.000 0.457 383 T N 3.853 118.486 114.554 0.131 0.000 2.881 383 T HA 0.728 5.153 4.350 0.126 0.000 0.291 383 T C -0.486 174.295 174.700 0.136 0.000 0.990 383 T CA -0.335 61.850 62.100 0.141 0.000 0.976 383 T CB 1.501 70.406 68.868 0.062 0.000 0.970 383 T HN 0.932 nan 8.240 nan 0.000 0.438 384 A N 4.138 127.081 122.820 0.206 0.000 2.359 384 A HA 0.900 5.295 4.320 0.126 0.000 0.303 384 A C -0.290 177.320 177.584 0.044 0.000 1.066 384 A CA -1.045 51.021 52.037 0.048 0.000 0.730 384 A CB 1.175 20.089 19.000 -0.144 0.000 1.211 384 A HN 0.912 nan 8.150 nan 0.000 0.439 385 R N 1.270 121.757 120.500 -0.022 0.000 2.739 385 R HA 0.680 5.095 4.340 0.126 0.000 0.271 385 R C -0.770 175.487 176.300 -0.071 0.000 1.010 385 R CA -0.677 55.407 56.100 -0.027 0.000 0.897 385 R CB 0.782 31.085 30.300 0.004 0.000 1.236 385 R HN 0.716 nan 8.270 nan 0.000 0.466 386 N N 0.589 119.243 118.700 -0.077 0.000 2.663 386 N HA -0.163 4.653 4.740 0.126 0.000 0.263 386 N C -1.256 174.194 175.510 -0.100 0.000 1.109 386 N CA 0.507 53.511 53.050 -0.077 0.000 0.701 386 N CB -0.983 37.467 38.487 -0.062 0.000 0.879 386 N HN 0.457 nan 8.380 nan 0.000 0.550 387 I N 0.520 121.008 120.570 -0.136 0.000 2.509 387 I HA 0.487 4.733 4.170 0.126 0.000 0.293 387 I C 0.082 176.123 176.117 -0.127 0.000 1.020 387 I CA -1.105 60.103 61.300 -0.153 0.000 1.088 387 I CB 2.063 39.950 38.000 -0.189 0.000 1.267 387 I HN -0.146 nan 8.210 nan 0.000 0.430 388 V N 6.609 126.472 119.914 -0.085 0.000 2.448 388 V HA 0.485 4.680 4.120 0.126 0.000 0.295 388 V C -0.258 175.720 176.094 -0.193 0.000 1.025 388 V CA -0.493 61.786 62.300 -0.036 0.000 0.859 388 V CB 1.742 33.685 31.823 0.201 0.000 0.988 388 V HN 0.690 nan 8.190 nan 0.000 0.431 389 M N 5.483 124.990 119.600 -0.155 0.000 2.326 389 M HA 0.448 5.003 4.480 0.126 0.000 0.306 389 M C -1.885 174.396 176.300 -0.030 0.000 1.054 389 M CA -0.554 54.648 55.300 -0.163 0.000 0.922 389 M CB 1.959 34.516 32.600 -0.072 0.000 1.632 389 M HN 0.814 nan 8.290 nan 0.000 0.436 390 W N 6.477 127.671 121.300 -0.176 0.000 2.296 390 W HA 0.364 5.100 4.660 0.126 0.000 0.333 390 W C -0.847 175.690 176.519 0.031 0.000 0.931 390 W CA -0.865 56.525 57.345 0.075 0.000 1.538 390 W CB 0.616 30.243 29.460 0.278 0.000 1.417 390 W HN 0.599 nan 8.180 nan 0.000 0.380 391 K N 3.481 124.029 120.400 0.247 0.000 2.368 391 K HA 0.099 4.494 4.320 0.126 0.000 0.282 391 K C 0.557 177.233 176.600 0.127 0.000 1.035 391 K CA 0.610 56.950 56.287 0.088 0.000 0.973 391 K CB 1.055 33.550 32.500 -0.008 0.000 0.957 391 K HN 0.509 nan 8.250 nan 0.000 0.474 392 E N 1.426 121.622 120.200 -0.008 0.000 3.145 392 E HA 0.119 4.545 4.350 0.126 0.000 0.412 392 E C 0.274 176.790 176.600 -0.141 0.000 0.371 392 E CA 0.289 56.700 56.400 0.018 0.000 2.392 392 E CB 0.141 29.816 29.700 -0.042 0.000 2.126 392 E HN 0.629 nan 8.360 nan 0.000 0.483 393 S N -0.272 115.366 115.700 -0.103 0.000 2.666 393 S HA 0.231 4.776 4.470 0.126 0.000 0.239 393 S C -0.367 174.237 174.600 0.006 0.000 1.031 393 S CA -0.282 57.844 58.200 -0.123 0.000 1.015 393 S CB 1.219 64.456 63.200 0.061 0.000 0.981 393 S HN 0.004 nan 8.310 nan 0.000 0.547 394 V N 1.451 121.392 119.914 0.046 0.000 2.876 394 V HA 0.875 5.071 4.120 0.126 0.000 0.312 394 V C -0.101 176.149 176.094 0.261 0.000 1.085 394 V CA -0.542 61.887 62.300 0.215 0.000 0.945 394 V CB 1.077 32.993 31.823 0.155 0.000 1.017 394 V HN 0.469 nan 8.190 nan 0.000 0.428 395 A N 4.591 127.595 122.820 0.306 0.000 2.454 395 A HA -0.001 4.394 4.320 0.126 0.000 0.685 395 A C -2.724 174.999 177.584 0.232 0.000 0.152 395 A CA -0.073 52.098 52.037 0.223 0.000 0.038 395 A CB -1.737 17.376 19.000 0.189 0.000 3.970 395 A HN 0.720 nan 8.150 nan 0.000 0.548 396 P HA 0.350 nan 4.420 nan 0.000 0.274 396 P C 1.089 178.422 177.300 0.054 0.000 1.256 396 P CA 0.273 63.392 63.100 0.032 0.000 0.795 396 P CB 0.694 32.358 31.700 -0.062 0.000 1.038 397 V N 0.859 120.776 119.914 0.004 0.000 2.307 397 V HA -0.108 4.087 4.120 0.126 0.000 0.245 397 V C 1.251 177.336 176.094 -0.015 0.000 1.045 397 V CA 1.597 63.888 62.300 -0.015 0.000 1.024 397 V CB -0.260 31.528 31.823 -0.057 0.000 0.651 397 V HN 0.310 nan 8.190 nan 0.000 0.449 398 V N 0.551 120.447 119.914 -0.031 0.000 2.459 398 V HA 0.511 4.707 4.120 0.126 0.000 0.295 398 V C -0.545 175.643 176.094 0.156 0.000 1.029 398 V CA -0.560 61.792 62.300 0.087 0.000 0.874 398 V CB 1.744 33.586 31.823 0.031 0.000 0.985 398 V HN 0.493 nan 8.190 nan 0.000 0.438 399 E N 4.060 124.406 120.200 0.243 0.000 2.199 399 E HA 0.611 5.036 4.350 0.126 0.000 0.265 399 E C -0.734 176.189 176.600 0.538 0.000 0.882 399 E CA -0.540 56.034 56.400 0.290 0.000 0.759 399 E CB 1.348 31.202 29.700 0.257 0.000 1.148 399 E HN 0.537 nan 8.360 nan 0.000 0.412 400 F N 2.359 122.440 119.950 0.219 0.000 2.739 400 F HA 0.657 5.260 4.527 0.127 0.000 0.366 400 F C 0.158 176.010 175.800 0.087 0.000 1.279 400 F CA -0.516 57.638 58.000 0.257 0.000 1.151 400 F CB 0.113 39.250 39.000 0.228 0.000 1.132 400 F HN 0.420 nan 8.300 nan 0.000 0.511 401 G N -0.288 108.403 108.800 -0.180 0.000 2.940 401 G HA2 0.422 4.457 3.960 0.126 0.000 0.164 401 G HA3 0.422 4.457 3.960 0.126 0.000 0.164 401 G C -0.064 174.786 174.900 -0.084 0.000 1.326 401 G CA -0.022 44.886 45.100 -0.321 0.000 1.020 401 G HN 0.508 nan 8.290 nan 0.000 0.586 402 W N -1.663 119.618 121.300 -0.031 0.000 0.688 402 W HA -0.262 4.470 4.660 0.120 0.000 0.217 402 W C 0.485 177.065 176.519 0.100 0.000 0.919 402 W CA 1.330 58.699 57.345 0.040 0.000 0.341 402 W CB -1.134 28.281 29.460 -0.075 0.000 1.913 402 W HN 0.682 nan 8.180 nan 0.000 1.347 403 T N 0.607 115.284 114.554 0.205 0.000 3.032 403 T HA 0.284 4.710 4.350 0.126 0.000 0.312 403 T C -2.609 172.111 174.700 0.034 0.000 1.078 403 T CA -0.988 61.202 62.100 0.150 0.000 1.028 403 T CB 2.851 71.787 68.868 0.113 0.000 1.091 403 T HN -0.261 nan 8.240 nan 0.000 0.457 404 P HA 0.330 nan 4.420 nan 0.000 0.268 404 P C -0.711 176.595 177.300 0.010 0.000 1.204 404 P CA -0.312 62.792 63.100 0.007 0.000 0.768 404 P CB 0.908 32.625 31.700 0.029 0.000 0.842 405 R N 1.664 122.165 120.500 0.001 0.000 2.799 405 R HA 0.443 4.859 4.340 0.126 0.000 0.270 405 R C -0.456 175.847 176.300 0.005 0.000 1.010 405 R CA -0.951 55.147 56.100 -0.003 0.000 0.916 405 R CB 1.312 31.592 30.300 -0.034 0.000 1.228 405 R HN 0.347 nan 8.270 nan 0.000 0.469 406 N N 0.984 119.689 118.700 0.008 0.000 2.485 406 N HA 0.308 5.123 4.740 0.126 0.000 0.243 406 N C -1.333 174.181 175.510 0.006 0.000 0.987 406 N CA 0.077 53.131 53.050 0.006 0.000 0.940 406 N CB 1.868 40.364 38.487 0.015 0.000 1.122 406 N HN 0.423 nan 8.380 nan 0.000 0.509 407 T N 1.339 115.886 114.554 -0.011 0.000 2.916 407 T HA 0.458 4.884 4.350 0.126 0.000 0.298 407 T C -0.512 174.154 174.700 -0.057 0.000 1.031 407 T CA -0.819 61.272 62.100 -0.015 0.000 0.993 407 T CB 2.009 70.871 68.868 -0.010 0.000 1.045 407 T HN 0.540 nan 8.240 nan 0.000 0.454 408 E N 1.738 121.905 120.200 -0.054 0.000 2.412 408 E HA 0.539 4.965 4.350 0.126 0.000 0.279 408 E C -1.283 175.260 176.600 -0.094 0.000 0.984 408 E CA -1.246 55.097 56.400 -0.095 0.000 0.788 408 E CB 1.060 30.714 29.700 -0.075 0.000 1.277 408 E HN 0.408 nan 8.360 nan 0.000 0.455 409 N N -0.435 118.184 118.700 -0.136 0.000 2.621 409 N HA -0.110 4.706 4.740 0.126 0.000 0.269 409 N C -1.296 174.139 175.510 -0.126 0.000 1.154 409 N CA 0.803 53.777 53.050 -0.126 0.000 0.696 409 N CB -1.329 37.112 38.487 -0.077 0.000 0.878 409 N HN 0.394 nan 8.380 nan 0.000 0.550 410 V N 0.765 120.553 119.914 -0.210 0.000 2.735 410 V HA 0.682 4.877 4.120 0.126 0.000 0.310 410 V C 0.011 175.945 176.094 -0.266 0.000 1.061 410 V CA -0.930 61.235 62.300 -0.225 0.000 0.913 410 V CB 2.315 33.923 31.823 -0.357 0.000 1.005 410 V HN 0.362 nan 8.190 nan 0.000 0.428 411 L N 4.983 126.146 121.223 -0.100 0.000 2.404 411 L HA 0.721 5.136 4.340 0.126 0.000 0.272 411 L C -1.754 175.320 176.870 0.339 0.000 0.980 411 L CA 0.008 54.853 54.840 0.008 0.000 0.836 411 L CB 1.422 43.497 42.059 0.027 0.000 1.238 411 L HN 0.403 nan 8.230 nan 0.000 0.408 412 F N 3.180 123.275 119.950 0.241 0.000 2.427 412 F HA 0.543 5.146 4.527 0.125 0.000 0.348 412 F C -0.065 175.948 175.800 0.355 0.000 1.125 412 F CA -1.163 57.044 58.000 0.345 0.000 0.989 412 F CB 1.500 40.879 39.000 0.631 0.000 1.165 412 F HN 0.528 nan 8.300 nan 0.000 0.442 413 D N 1.803 122.403 120.400 0.334 0.000 2.738 413 D HA 0.267 4.982 4.640 0.126 0.000 0.237 413 D C -0.379 175.940 176.300 0.032 0.000 1.123 413 D CA -0.280 53.842 54.000 0.205 0.000 0.856 413 D CB 1.240 42.124 40.800 0.140 0.000 1.552 413 D HN 0.625 nan 8.370 nan 0.000 0.480 414 N N 2.361 121.057 118.700 -0.007 0.000 2.621 414 N HA -0.152 4.664 4.740 0.126 0.000 0.269 414 N C -1.599 173.772 175.510 -0.232 0.000 1.154 414 N CA -0.035 52.964 53.050 -0.086 0.000 0.696 414 N CB -0.425 38.039 38.487 -0.038 0.000 0.878 414 N HN 0.126 nan 8.380 nan 0.000 0.550 415 V N 1.986 121.611 119.914 -0.481 0.000 2.407 415 V HA 0.296 4.492 4.120 0.126 0.000 0.291 415 V C -0.115 175.720 176.094 -0.432 0.000 1.018 415 V CA -0.575 61.347 62.300 -0.630 0.000 0.842 415 V CB 1.588 32.605 31.823 -1.343 0.000 0.996 415 V HN 0.337 nan 8.190 nan 0.000 0.426 416 D N 4.219 124.476 120.400 -0.238 0.000 2.392 416 D HA 0.309 5.024 4.640 0.126 0.000 0.228 416 D C -0.511 175.709 176.300 -0.133 0.000 1.074 416 D CA -0.220 53.691 54.000 -0.148 0.000 0.838 416 D CB 2.008 42.751 40.800 -0.095 0.000 1.067 416 D HN 0.285 nan 8.370 nan 0.000 0.511 417 V N 7.021 126.864 119.914 -0.118 0.000 2.322 417 V HA 0.087 4.283 4.120 0.126 0.000 0.258 417 V C 1.877 177.876 176.094 -0.158 0.000 1.074 417 V CA -0.353 61.886 62.300 -0.102 0.000 0.909 417 V CB 0.264 32.055 31.823 -0.053 0.000 1.090 417 V HN 0.545 nan 8.190 nan 0.000 0.486 418 I N 0.354 120.794 120.570 -0.218 0.000 2.830 418 I HA 0.146 4.391 4.170 0.126 0.000 0.263 418 I C 0.627 176.259 176.117 -0.809 0.000 1.230 418 I CA 1.203 62.239 61.300 -0.440 0.000 1.480 418 I CB -0.067 37.691 38.000 -0.403 0.000 1.095 418 I HN 0.512 nan 8.210 nan 0.000 0.455 419 H N 0.814 119.666 119.070 -0.363 0.000 3.046 419 H HA 0.600 5.232 4.556 0.127 0.000 0.361 419 H C -1.273 173.958 175.328 -0.161 0.000 1.235 419 H CA -0.644 55.171 56.048 -0.388 0.000 1.146 419 H CB 1.784 30.997 29.762 -0.916 0.000 1.859 419 H HN 0.183 nan 8.280 nan 0.000 0.548 420 Q N 0.258 120.100 119.800 0.070 0.000 2.391 420 Q HA 0.684 5.099 4.340 0.126 0.000 0.279 420 Q C -1.205 174.811 176.000 0.027 0.000 1.028 420 Q CA -0.871 54.937 55.803 0.009 0.000 0.836 420 Q CB 3.301 32.096 28.738 0.095 0.000 1.414 420 Q HN 0.703 nan 8.270 nan 0.000 0.397 421 A N 1.800 124.567 122.820 -0.087 0.000 3.292 421 A HA 0.398 4.793 4.320 0.126 0.000 0.231 421 A C -1.389 176.230 177.584 0.058 0.000 0.952 421 A CA -0.351 51.715 52.037 0.050 0.000 1.044 421 A CB 0.087 19.163 19.000 0.126 0.000 1.236 421 A HN 0.591 nan 8.150 nan 0.000 0.525 422 Y N -0.658 119.737 120.300 0.157 0.000 2.385 422 Y HA 0.332 4.955 4.550 0.122 0.000 0.346 422 Y C 1.530 177.515 175.900 0.142 0.000 1.270 422 Y CA 1.185 59.366 58.100 0.136 0.000 1.472 422 Y CB 0.861 39.380 38.460 0.098 0.000 1.354 422 Y HN 0.420 nan 8.280 nan 0.000 0.611 423 A N 0.567 123.569 122.820 0.304 0.000 2.048 423 A HA 0.226 4.621 4.320 0.126 0.000 0.197 423 A C 0.095 177.776 177.584 0.162 0.000 1.486 423 A CA 0.377 52.537 52.037 0.206 0.000 1.029 423 A CB 0.092 19.190 19.000 0.162 0.000 1.101 423 A HN 0.811 nan 8.150 nan 0.000 0.470 424 N N -2.782 116.014 118.700 0.161 0.000 3.116 424 N HA 0.376 5.191 4.740 0.126 0.000 0.244 424 N C 0.682 176.253 175.510 0.101 0.000 1.485 424 N CA -0.038 53.082 53.050 0.115 0.000 0.884 424 N CB 1.034 39.581 38.487 0.101 0.000 1.415 424 N HN 0.074 nan 8.380 nan 0.000 0.524 425 A N 0.231 123.103 122.820 0.087 0.000 1.978 425 A HA 0.013 4.409 4.320 0.126 0.000 0.220 425 A C 1.977 179.627 177.584 0.109 0.000 1.170 425 A CA 2.194 54.287 52.037 0.094 0.000 0.636 425 A CB -1.396 17.672 19.000 0.113 0.000 0.810 425 A HN 0.814 nan 8.150 nan 0.000 0.448 426 G N -0.251 108.615 108.800 0.110 0.000 2.498 426 G HA2 -0.202 3.833 3.960 0.126 0.000 0.219 426 G HA3 -0.202 3.833 3.960 0.126 0.000 0.219 426 G C 1.116 176.099 174.900 0.138 0.000 1.119 426 G CA 0.806 45.979 45.100 0.121 0.000 0.766 426 G HN 0.564 nan 8.290 nan 0.000 0.552 427 N N 1.336 120.122 118.700 0.143 0.000 2.515 427 N HA -0.039 4.777 4.740 0.126 0.000 0.185 427 N C 0.279 175.880 175.510 0.151 0.000 1.109 427 N CA 0.224 53.386 53.050 0.187 0.000 0.903 427 N CB -0.125 38.535 38.487 0.288 0.000 0.969 427 N HN 0.179 nan 8.380 nan 0.000 0.450 428 N N 0.382 119.128 118.700 0.076 0.000 2.708 428 N HA -0.109 4.707 4.740 0.126 0.000 0.255 428 N C -2.586 172.844 175.510 -0.134 0.000 1.046 428 N CA 0.453 53.506 53.050 0.004 0.000 0.715 428 N CB -0.793 37.705 38.487 0.018 0.000 0.895 428 N HN 0.339 nan 8.380 nan 0.000 0.545 429 P HA 0.440 nan 4.420 nan 0.000 0.274 429 P C 0.614 177.555 177.300 -0.598 0.000 1.256 429 P CA 0.575 63.124 63.100 -0.917 0.000 0.795 429 P CB 1.053 32.095 31.700 -1.096 0.000 1.038 430 G N -0.563 107.882 108.800 -0.593 0.000 2.379 430 G HA2 -0.031 4.004 3.960 0.126 0.000 0.609 430 G HA3 -0.031 4.004 3.960 0.126 0.000 0.609 430 G C 0.303 175.052 174.900 -0.251 0.000 1.484 430 G CA -0.559 44.332 45.100 -0.349 0.000 0.921 430 G HN 0.335 nan 8.290 nan 0.000 0.658 431 I N -0.048 120.340 120.570 -0.304 0.000 2.193 431 I HA 0.127 4.373 4.170 0.126 0.000 0.240 431 I C 0.791 176.464 176.117 -0.741 0.000 1.084 431 I CA 1.068 62.049 61.300 -0.532 0.000 1.365 431 I CB -0.084 37.460 38.000 -0.759 0.000 1.064 431 I HN 0.314 nan 8.210 nan 0.000 0.410 432 F N 1.039 120.845 119.950 -0.241 0.000 2.332 432 F HA 0.556 5.159 4.527 0.127 0.000 0.368 432 F C 0.545 176.277 175.800 -0.114 0.000 1.110 432 F CA -0.683 57.114 58.000 -0.339 0.000 1.087 432 F CB 1.209 39.889 39.000 -0.533 0.000 1.235 432 F HN -0.148 nan 8.300 nan 0.000 0.470 433 G N 1.381 110.206 108.800 0.041 0.000 2.563 433 G HA2 0.743 4.779 3.960 0.126 0.000 0.302 433 G HA3 0.743 4.779 3.960 0.126 0.000 0.302 433 G C -1.779 172.942 174.900 -0.298 0.000 1.301 433 G CA -1.130 43.898 45.100 -0.121 0.000 0.965 433 G HN 0.754 nan 8.290 nan 0.000 0.480 434 A N 1.130 123.642 122.820 -0.513 0.000 2.651 434 A HA 0.631 5.027 4.320 0.126 0.000 0.290 434 A C 0.237 177.550 177.584 -0.451 0.000 1.185 434 A CA -0.314 51.279 52.037 -0.739 0.000 0.746 434 A CB 0.494 18.710 19.000 -1.306 0.000 1.213 434 A HN 2.009 nan 8.150 nan 0.000 0.429 435 V N 0.776 120.396 119.914 -0.490 0.000 3.546 435 V HA 0.338 4.534 4.120 0.126 0.000 0.296 435 V C 0.942 176.840 176.094 -0.327 0.000 1.082 435 V CA -0.742 61.297 62.300 -0.434 0.000 1.086 435 V CB 0.299 31.624 31.823 -0.830 0.000 1.174 435 V HN 0.813 nan 8.190 nan 0.000 0.464 436 N N 0.693 119.330 118.700 -0.105 0.000 2.235 436 N HA -0.020 4.796 4.740 0.126 0.000 0.231 436 N C -0.028 175.603 175.510 0.201 0.000 1.330 436 N CA 0.193 53.349 53.050 0.177 0.000 0.898 436 N CB -0.005 38.678 38.487 0.327 0.000 1.151 436 N HN 0.960 nan 8.380 nan 0.000 0.472 437 N N 0.387 119.324 118.700 0.394 0.000 2.420 437 N HA -0.065 4.751 4.740 0.126 0.000 0.262 437 N C 1.081 176.860 175.510 0.449 0.000 1.144 437 N CA -0.310 52.993 53.050 0.423 0.000 0.952 437 N CB 0.314 39.111 38.487 0.517 0.000 1.081 437 N HN 0.509 nan 8.380 nan 0.000 0.480 438 Y N 3.952 124.507 120.300 0.425 0.000 2.315 438 Y HA -0.130 4.494 4.550 0.123 0.000 0.288 438 Y C 1.073 177.025 175.900 0.086 0.000 1.154 438 Y CA 0.956 59.266 58.100 0.350 0.000 1.229 438 Y CB -0.104 38.472 38.460 0.194 0.000 0.980 438 Y HN 0.540 nan 8.280 nan 0.000 0.540 439 L N -0.942 119.816 121.223 -0.774 0.000 2.201 439 L HA -0.150 4.266 4.340 0.126 0.000 0.212 439 L C 1.236 177.590 176.870 -0.860 0.000 1.105 439 L CA 1.392 55.608 54.840 -1.041 0.000 0.775 439 L CB -0.411 40.919 42.059 -1.215 0.000 0.913 439 L HN 0.334 nan 8.230 nan 0.000 0.440 440 Y N -1.487 118.806 120.300 -0.012 0.000 2.430 440 Y HA 0.440 5.066 4.550 0.126 0.000 0.254 440 Y C 0.941 176.895 175.900 0.090 0.000 1.088 440 Y CA -0.082 58.042 58.100 0.039 0.000 1.267 440 Y CB 0.529 39.020 38.460 0.052 0.000 1.204 440 Y HN -0.046 nan 8.280 nan 0.000 0.515 441 A N 1.215 124.190 122.820 0.258 0.000 3.127 441 A HA 0.369 4.765 4.320 0.126 0.000 0.319 441 A C -2.045 175.746 177.584 0.345 0.000 1.104 441 A CA -1.145 51.051 52.037 0.265 0.000 0.802 441 A CB 0.283 19.447 19.000 0.273 0.000 1.193 441 A HN -0.046 nan 8.150 nan 0.000 0.479 442 P HA -0.228 nan 4.420 nan 0.000 0.217 442 P C 0.568 178.120 177.300 0.420 0.000 1.148 442 P CA 1.931 65.222 63.100 0.318 0.000 0.834 442 P CB 0.152 31.967 31.700 0.192 0.000 0.783 443 D N -1.656 118.968 120.400 0.373 0.000 2.339 443 D HA 0.079 4.794 4.640 0.126 0.000 0.217 443 D C 1.482 178.036 176.300 0.424 0.000 1.050 443 D CA 0.504 54.737 54.000 0.390 0.000 0.856 443 D CB -0.802 40.151 40.800 0.255 0.000 0.922 443 D HN 0.273 nan 8.370 nan 0.000 0.518 444 G N 0.095 109.151 108.800 0.427 0.000 2.179 444 G HA2 -0.263 3.772 3.960 0.126 0.000 0.260 444 G HA3 -0.263 3.772 3.960 0.126 0.000 0.260 444 G C -0.172 174.774 174.900 0.076 0.000 0.977 444 G CA 0.492 45.629 45.100 0.062 0.000 0.641 444 G HN 0.528 nan 8.290 nan 0.000 0.533 445 L N 1.099 122.413 121.223 0.152 0.000 2.343 445 L HA 0.862 5.278 4.340 0.126 0.000 0.278 445 L C -0.329 176.614 176.870 0.123 0.000 0.996 445 L CA -0.187 54.739 54.840 0.142 0.000 0.831 445 L CB 2.088 44.228 42.059 0.135 0.000 1.232 445 L HN 0.584 nan 8.230 nan 0.000 0.413 446 S N 1.572 117.339 115.700 0.112 0.000 2.535 446 S HA 0.376 4.921 4.470 0.126 0.000 0.272 446 S C 0.569 175.120 174.600 -0.082 0.000 1.149 446 S CA 0.042 58.262 58.200 0.033 0.000 0.888 446 S CB 1.351 64.588 63.200 0.061 0.000 1.110 446 S HN 0.812 nan 8.310 nan 0.000 0.463 447 S N 2.585 118.156 115.700 -0.216 0.000 2.561 447 S HA 0.042 4.588 4.470 0.126 0.000 0.225 447 S C 0.605 174.684 174.600 -0.869 0.000 0.977 447 S CA 0.105 58.016 58.200 -0.482 0.000 0.926 447 S CB -0.487 62.532 63.200 -0.302 0.000 0.769 447 S HN 0.649 nan 8.310 nan 0.000 0.533 448 N N 2.185 120.550 118.700 -0.559 0.000 2.401 448 N HA 0.015 4.830 4.740 0.126 0.000 0.255 448 N C -0.741 174.329 175.510 -0.733 0.000 1.110 448 N CA -0.007 52.724 53.050 -0.532 0.000 0.949 448 N CB 0.181 38.508 38.487 -0.267 0.000 1.110 448 N HN 0.327 nan 8.380 nan 0.000 0.490 449 H N 1.528 120.126 119.070 -0.786 0.000 2.467 449 H HA 0.258 4.889 4.556 0.125 0.000 0.275 449 H C -0.114 174.473 175.328 -1.235 0.000 1.131 449 H CA -0.342 54.611 56.048 -1.826 0.000 0.989 449 H CB 0.135 28.852 29.762 -1.741 0.000 1.696 449 H HN 0.345 nan 8.280 nan 0.000 0.574 450 S N 0.473 115.858 115.700 -0.525 0.000 2.581 450 S HA 0.052 4.597 4.470 0.126 0.000 0.245 450 S C 1.138 175.710 174.600 -0.048 0.000 1.115 450 S CA -0.192 57.928 58.200 -0.133 0.000 1.093 450 S CB 0.219 63.349 63.200 -0.117 0.000 0.853 450 S HN 0.522 nan 8.310 nan 0.000 0.479 451 T N -1.682 112.926 114.554 0.090 0.000 3.339 451 T HA 0.426 4.852 4.350 0.126 0.000 0.292 451 T C 0.778 175.718 174.700 0.401 0.000 1.012 451 T CA -0.334 61.848 62.100 0.137 0.000 0.937 451 T CB 0.451 69.310 68.868 -0.016 0.000 1.164 451 T HN 0.245 nan 8.240 nan 0.000 0.509 452 G N 1.054 110.160 108.800 0.511 0.000 2.525 452 G HA2 0.467 4.503 3.960 0.126 0.000 0.287 452 G HA3 0.467 4.503 3.960 0.126 0.000 0.287 452 G C -0.681 174.340 174.900 0.201 0.000 1.350 452 G CA -0.728 44.588 45.100 0.360 0.000 1.039 452 G HN 0.373 nan 8.290 nan 0.000 0.513 453 N N -0.858 117.917 118.700 0.125 0.000 2.540 453 N HA 0.125 4.941 4.740 0.126 0.000 0.275 453 N C 1.021 176.573 175.510 0.069 0.000 1.053 453 N CA -0.127 52.979 53.050 0.093 0.000 0.876 453 N CB 1.784 40.316 38.487 0.075 0.000 1.284 453 N HN 0.326 nan 8.380 nan 0.000 0.518 454 S N 2.284 118.030 115.700 0.077 0.000 2.555 454 S HA 0.023 4.568 4.470 0.126 0.000 0.230 454 S C 0.731 175.355 174.600 0.041 0.000 0.978 454 S CA 0.345 58.581 58.200 0.060 0.000 0.934 454 S CB -0.036 63.208 63.200 0.073 0.000 0.766 454 S HN 0.499 nan 8.310 nan 0.000 0.533 455 N N 0.674 119.398 118.700 0.040 0.000 2.280 455 N HA 0.315 5.130 4.740 0.126 0.000 0.192 455 N C -0.109 175.414 175.510 0.022 0.000 1.109 455 N CA 0.332 53.401 53.050 0.031 0.000 0.855 455 N CB 0.181 38.689 38.487 0.035 0.000 0.974 455 N HN 0.505 nan 8.380 nan 0.000 0.482 456 M N -0.136 119.475 119.600 0.019 0.000 2.602 456 M HA 0.351 4.907 4.480 0.126 0.000 0.312 456 M C -0.675 175.622 176.300 -0.006 0.000 1.181 456 M CA -0.279 55.027 55.300 0.009 0.000 0.910 456 M CB 2.478 35.087 32.600 0.015 0.000 1.723 456 M HN -0.269 nan 8.290 nan 0.000 0.459 457 T N 0.982 115.527 114.554 -0.014 0.000 2.933 457 T HA 0.493 4.918 4.350 0.126 0.000 0.305 457 T C -1.081 173.595 174.700 -0.040 0.000 1.092 457 T CA -0.608 61.472 62.100 -0.032 0.000 1.008 457 T CB 2.159 71.003 68.868 -0.041 0.000 1.102 457 T HN 0.365 nan 8.240 nan 0.000 0.469 458 V N 3.419 123.301 119.914 -0.054 0.000 2.350 458 V HA 0.644 4.840 4.120 0.126 0.000 0.276 458 V C 0.219 176.228 176.094 -0.142 0.000 1.028 458 V CA -0.515 61.736 62.300 -0.081 0.000 0.860 458 V CB 1.174 32.968 31.823 -0.047 0.000 0.990 458 V HN 0.719 nan 8.190 nan 0.000 0.453 459 R N 4.355 124.759 120.500 -0.160 0.000 2.808 459 R HA 0.440 4.856 4.340 0.126 0.000 0.272 459 R C -0.096 176.065 176.300 -0.230 0.000 0.995 459 R CA -0.694 55.295 56.100 -0.185 0.000 0.917 459 R CB 1.094 31.317 30.300 -0.129 0.000 1.217 459 R HN 0.657 nan 8.270 nan 0.000 0.471 460 N N 2.043 120.591 118.700 -0.253 0.000 2.641 460 N HA -0.151 4.664 4.740 0.126 0.000 0.267 460 N C -1.535 173.757 175.510 -0.363 0.000 1.087 460 N CA 0.638 53.526 53.050 -0.271 0.000 0.731 460 N CB -0.567 37.806 38.487 -0.191 0.000 0.886 460 N HN 0.432 nan 8.380 nan 0.000 0.547 461 I N 0.890 121.144 120.570 -0.527 0.000 2.441 461 I HA 0.405 4.651 4.170 0.126 0.000 0.295 461 I C 0.518 176.115 176.117 -0.868 0.000 0.994 461 I CA -0.313 60.529 61.300 -0.763 0.000 1.144 461 I CB 1.723 39.074 38.000 -1.082 0.000 1.314 461 I HN 0.170 nan 8.210 nan 0.000 0.445 462 T N 5.594 119.678 114.554 -0.783 0.000 2.881 462 T HA 0.411 4.837 4.350 0.126 0.000 0.291 462 T C -1.199 173.233 174.700 -0.447 0.000 0.990 462 T CA -0.380 61.363 62.100 -0.595 0.000 0.976 462 T CB 1.099 69.786 68.868 -0.303 0.000 0.970 462 T HN 0.319 nan 8.240 nan 0.000 0.438 463 W N 3.821 124.930 121.300 -0.319 0.000 2.338 463 W HA 0.533 5.270 4.660 0.128 0.000 0.315 463 W C 0.206 176.708 176.519 -0.029 0.000 1.005 463 W CA -1.129 56.105 57.345 -0.185 0.000 1.380 463 W CB 0.668 29.695 29.460 -0.722 0.000 1.235 463 W HN 0.673 nan 8.180 nan 0.000 0.409 464 S N 1.757 117.726 115.700 0.448 0.000 2.566 464 S HA 0.428 4.974 4.470 0.126 0.000 0.298 464 S C 0.145 175.014 174.600 0.449 0.000 1.083 464 S CA -0.728 57.677 58.200 0.342 0.000 0.978 464 S CB 1.778 65.078 63.200 0.167 0.000 1.073 464 S HN 0.439 nan 8.310 nan 0.000 0.491 465 N N 0.125 119.021 118.700 0.327 0.000 2.696 465 N HA -0.146 4.670 4.740 0.126 0.000 0.256 465 N C -1.503 174.168 175.510 0.267 0.000 1.031 465 N CA 0.684 53.881 53.050 0.244 0.000 0.730 465 N CB -1.366 37.200 38.487 0.132 0.000 0.894 465 N HN 0.595 nan 8.380 nan 0.000 0.544 466 F N 0.734 120.767 119.950 0.138 0.000 2.399 466 F HA 0.444 5.046 4.527 0.125 0.000 0.334 466 F C 1.246 177.080 175.800 0.057 0.000 1.097 466 F CA -0.306 57.756 58.000 0.104 0.000 1.076 466 F CB 1.166 40.255 39.000 0.149 0.000 1.162 466 F HN -0.133 nan 8.300 nan 0.000 0.495 467 R N 1.882 122.448 120.500 0.111 0.000 2.538 467 R HA 0.716 5.131 4.340 0.126 0.000 0.292 467 R C -1.350 174.953 176.300 0.005 0.000 1.008 467 R CA -0.976 55.156 56.100 0.054 0.000 0.896 467 R CB 1.934 32.233 30.300 -0.001 0.000 1.187 467 R HN 0.647 nan 8.270 nan 0.000 0.440 468 A N 3.372 126.194 122.820 0.003 0.000 2.277 468 A HA 0.329 4.724 4.320 0.126 0.000 0.318 468 A C -0.355 177.186 177.584 -0.073 0.000 1.339 468 A CA -0.638 51.376 52.037 -0.037 0.000 0.875 468 A CB 0.513 19.500 19.000 -0.022 0.000 1.158 468 A HN 0.713 nan 8.150 nan 0.000 0.514 469 E N 1.393 121.519 120.200 -0.123 0.000 2.319 469 E HA 0.521 4.947 4.350 0.126 0.000 0.268 469 E C 0.937 177.450 176.600 -0.146 0.000 1.050 469 E CA 0.442 56.750 56.400 -0.153 0.000 0.878 469 E CB 1.124 30.687 29.700 -0.229 0.000 1.066 469 E HN 1.260 nan 8.360 nan 0.000 0.406 470 G N 1.800 110.535 108.800 -0.108 0.000 2.645 470 G HA2 -0.283 3.752 3.960 0.126 0.000 0.246 470 G HA3 -0.283 3.752 3.960 0.126 0.000 0.246 470 G C -0.144 174.741 174.900 -0.024 0.000 1.322 470 G CA -0.241 44.826 45.100 -0.054 0.000 0.898 470 G HN 0.771 nan 8.290 nan 0.000 0.573 471 S N -0.855 114.859 115.700 0.024 0.000 2.549 471 S HA 0.615 5.161 4.470 0.126 0.000 0.279 471 S C 0.256 174.906 174.600 0.083 0.000 1.321 471 S CA 0.818 59.053 58.200 0.058 0.000 1.054 471 S CB 1.663 64.920 63.200 0.095 0.000 0.899 471 S HN 2.082 nan 8.310 nan 0.000 0.497 472 S N 1.748 117.506 115.700 0.097 0.000 2.599 472 S HA 0.728 5.273 4.470 0.126 0.000 0.294 472 S C 0.128 174.886 174.600 0.263 0.000 1.094 472 S CA -0.467 57.816 58.200 0.139 0.000 0.931 472 S CB 1.296 64.507 63.200 0.019 0.000 1.093 472 S HN 1.139 nan 8.310 nan 0.000 0.488 473 S N 2.353 118.188 115.700 0.224 0.000 2.652 473 S HA 0.754 5.300 4.470 0.126 0.000 0.267 473 S C 0.620 175.304 174.600 0.140 0.000 1.201 473 S CA -0.317 57.945 58.200 0.102 0.000 0.996 473 S CB -0.038 63.027 63.200 -0.225 0.000 1.054 473 S HN 1.318 nan 8.310 nan 0.000 0.561 474 A N 0.009 122.812 122.820 -0.029 0.000 2.507 474 A HA 0.288 4.684 4.320 0.126 0.000 0.235 474 A C 1.119 178.670 177.584 -0.055 0.000 1.070 474 A CA -0.290 51.716 52.037 -0.052 0.000 0.768 474 A CB -0.475 18.343 19.000 -0.302 0.000 1.011 474 A HN 1.074 nan 8.150 nan 0.000 0.502 475 L N 1.310 122.526 121.223 -0.011 0.000 2.017 475 L HA 0.103 4.519 4.340 0.126 0.000 0.208 475 L C 0.427 177.342 176.870 0.075 0.000 1.073 475 L CA 2.305 57.126 54.840 -0.031 0.000 0.745 475 L CB -0.609 41.383 42.059 -0.112 0.000 0.894 475 L HN 0.819 nan 8.230 nan 0.000 0.432 476 F N -2.196 117.703 119.950 -0.085 0.000 2.641 476 F HA 0.646 5.249 4.527 0.126 0.000 0.308 476 F C -0.614 174.944 175.800 -0.403 0.000 1.105 476 F CA -1.262 56.665 58.000 -0.121 0.000 0.964 476 F CB 0.974 40.032 39.000 0.097 0.000 1.294 476 F HN -0.338 nan 8.300 nan 0.000 0.442 477 R N 4.157 124.411 120.500 -0.411 0.000 2.680 477 R HA 0.532 4.948 4.340 0.126 0.000 0.278 477 R C -1.740 174.160 176.300 -0.666 0.000 1.582 477 R CA -0.433 54.926 56.100 -1.236 0.000 1.177 477 R CB 1.614 30.917 30.300 -1.662 0.000 1.232 477 R HN 0.742 nan 8.270 nan 0.000 0.528 478 I N 1.922 122.400 120.570 -0.154 0.000 2.362 478 I HA 0.270 4.515 4.170 0.126 0.000 0.289 478 I C -0.240 175.943 176.117 0.110 0.000 0.994 478 I CA -0.844 60.431 61.300 -0.043 0.000 1.158 478 I CB 1.719 39.722 38.000 0.005 0.000 1.315 478 I HN 0.264 nan 8.210 nan 0.000 0.451 479 N N 7.938 126.592 118.700 -0.077 0.000 2.426 479 N HA 0.281 5.097 4.740 0.126 0.000 0.257 479 N C -2.489 172.611 175.510 -0.683 0.000 1.002 479 N CA -1.394 51.502 53.050 -0.257 0.000 0.942 479 N CB 1.623 39.960 38.487 -0.250 0.000 1.112 479 N HN 0.206 nan 8.380 nan 0.000 0.499 480 P HA 0.172 nan 4.420 nan 0.000 0.244 480 P C 1.160 178.016 177.300 -0.740 0.000 1.769 480 P CA -0.159 62.633 63.100 -0.513 0.000 1.102 480 P CB -0.287 31.238 31.700 -0.292 0.000 1.937 481 I N -0.942 119.108 120.570 -0.867 0.000 3.176 481 I HA -0.050 4.195 4.170 0.126 0.000 0.275 481 I C 0.525 176.491 176.117 -0.253 0.000 1.298 481 I CA 0.655 61.495 61.300 -0.766 0.000 1.445 481 I CB -0.334 37.267 38.000 -0.664 0.000 1.075 481 I HN 0.164 nan 8.210 nan 0.000 0.482 482 Q N 1.219 120.906 119.800 -0.187 0.000 2.590 482 Q HA 0.342 4.757 4.340 0.126 0.000 0.295 482 Q C -1.491 174.461 176.000 -0.080 0.000 0.973 482 Q CA -0.839 54.921 55.803 -0.072 0.000 0.768 482 Q CB 0.686 29.402 28.738 -0.036 0.000 1.479 482 Q HN 0.159 nan 8.270 nan 0.000 0.419 483 N N 0.833 119.501 118.700 -0.052 0.000 2.395 483 N HA 0.224 5.040 4.740 0.126 0.000 0.246 483 N C -0.408 175.048 175.510 -0.089 0.000 1.246 483 N CA 0.391 53.396 53.050 -0.074 0.000 0.879 483 N CB 0.389 38.846 38.487 -0.050 0.000 1.098 483 N HN 0.431 nan 8.380 nan 0.000 0.444 484 L N 1.088 122.232 121.223 -0.130 0.000 2.341 484 L HA 0.417 4.833 4.340 0.126 0.000 0.278 484 L C -0.445 176.345 176.870 -0.133 0.000 1.005 484 L CA -0.781 53.986 54.840 -0.123 0.000 0.818 484 L CB 1.789 43.770 42.059 -0.131 0.000 1.259 484 L HN 0.459 nan 8.230 nan 0.000 0.418 485 D N 2.913 123.229 120.400 -0.139 0.000 2.970 485 D HA 0.178 4.893 4.640 0.126 0.000 0.230 485 D C -0.296 175.895 176.300 -0.182 0.000 1.276 485 D CA -0.278 53.639 54.000 -0.137 0.000 0.910 485 D CB 1.232 41.967 40.800 -0.108 0.000 1.590 485 D HN 0.580 nan 8.370 nan 0.000 0.551 486 N N 3.278 121.867 118.700 -0.186 0.000 2.699 486 N HA -0.169 4.646 4.740 0.126 0.000 0.257 486 N C -1.121 174.167 175.510 -0.369 0.000 1.077 486 N CA 0.184 53.092 53.050 -0.236 0.000 0.702 486 N CB -0.637 37.731 38.487 -0.198 0.000 0.886 486 N HN 0.442 nan 8.380 nan 0.000 0.549 487 I N 1.599 121.892 120.570 -0.461 0.000 2.362 487 I HA 0.260 4.505 4.170 0.126 0.000 0.289 487 I C -0.142 175.446 176.117 -0.881 0.000 0.994 487 I CA -0.559 60.289 61.300 -0.754 0.000 1.158 487 I CB 1.855 39.412 38.000 -0.737 0.000 1.315 487 I HN 0.103 nan 8.210 nan 0.000 0.451 488 S N 7.044 122.237 115.700 -0.845 0.000 2.519 488 S HA 0.602 5.148 4.470 0.126 0.000 0.309 488 S C -0.357 173.859 174.600 -0.640 0.000 1.100 488 S CA -0.525 57.270 58.200 -0.674 0.000 1.059 488 S CB 1.726 64.668 63.200 -0.431 0.000 1.008 488 S HN 0.374 nan 8.310 nan 0.000 0.478 489 I N 3.370 123.606 120.570 -0.555 0.000 2.330 489 I HA 0.338 4.584 4.170 0.126 0.000 0.289 489 I C -0.255 175.756 176.117 -0.176 0.000 1.001 489 I CA -0.304 60.773 61.300 -0.371 0.000 1.193 489 I CB 1.014 38.776 38.000 -0.396 0.000 1.345 489 I HN 0.363 nan 8.210 nan 0.000 0.461 490 K N 6.284 126.645 120.400 -0.065 0.000 2.559 490 K HA 0.391 4.786 4.320 0.126 0.000 0.249 490 K C -1.208 175.451 176.600 0.099 0.000 0.958 490 K CA -0.884 55.408 56.287 0.008 0.000 0.901 490 K CB 1.168 33.659 32.500 -0.016 0.000 1.124 490 K HN 0.522 nan 8.250 nan 0.000 0.437 491 N N 0.987 119.763 118.700 0.127 0.000 2.454 491 N HA -0.152 4.664 4.740 0.126 0.000 0.280 491 N C -1.528 174.123 175.510 0.235 0.000 1.515 491 N CA 0.296 53.447 53.050 0.169 0.000 0.892 491 N CB -0.421 38.151 38.487 0.141 0.000 0.892 491 N HN 0.384 nan 8.380 nan 0.000 0.475 492 V N 1.633 121.707 119.914 0.266 0.000 2.655 492 V HA 0.748 4.943 4.120 0.126 0.000 0.301 492 V C -0.592 175.702 176.094 0.333 0.000 1.082 492 V CA -0.133 62.347 62.300 0.300 0.000 0.899 492 V CB 1.871 33.849 31.823 0.258 0.000 1.014 492 V HN 0.710 nan 8.190 nan 0.000 0.429 493 S N 7.371 123.211 115.700 0.233 0.000 2.454 493 S HA 0.784 5.330 4.470 0.126 0.000 0.306 493 S C -0.748 173.919 174.600 0.111 0.000 1.100 493 S CA -0.691 57.612 58.200 0.173 0.000 1.087 493 S CB 1.572 64.826 63.200 0.090 0.000 1.019 493 S HN 0.667 nan 8.310 nan 0.000 0.480 494 I N 2.721 123.334 120.570 0.073 0.000 2.382 494 I HA 0.293 4.538 4.170 0.126 0.000 0.286 494 I C 1.350 177.383 176.117 -0.140 0.000 1.002 494 I CA -0.511 60.748 61.300 -0.069 0.000 1.135 494 I CB 1.792 39.678 38.000 -0.191 0.000 1.288 494 I HN 0.928 nan 8.210 nan 0.000 0.448 495 E N 4.567 124.697 120.200 -0.116 0.000 2.051 495 E HA -0.131 4.294 4.350 0.126 0.000 0.192 495 E C 0.342 176.867 176.600 -0.125 0.000 0.991 495 E CA 1.069 57.409 56.400 -0.100 0.000 0.799 495 E CB 0.398 30.052 29.700 -0.077 0.000 0.748 495 E HN 0.712 nan 8.360 nan 0.000 0.449 496 S N -2.001 113.606 115.700 -0.155 0.000 2.588 496 S HA 0.426 4.971 4.470 0.126 0.000 0.269 496 S C -0.900 173.615 174.600 -0.142 0.000 1.157 496 S CA -1.067 57.058 58.200 -0.126 0.000 0.824 496 S CB 0.617 63.806 63.200 -0.017 0.000 1.126 496 S HN 0.118 nan 8.310 nan 0.000 0.464 497 F N 1.373 121.352 119.950 0.048 0.000 2.432 497 F HA 0.484 5.086 4.527 0.125 0.000 0.329 497 F C 1.194 177.027 175.800 0.054 0.000 1.076 497 F CA -0.710 57.322 58.000 0.054 0.000 1.018 497 F CB 1.256 40.285 39.000 0.049 0.000 1.201 497 F HN 0.680 nan 8.300 nan 0.000 0.489 498 E N 3.026 123.419 120.200 0.322 0.000 2.410 498 E HA 0.082 4.508 4.350 0.126 0.000 0.255 498 E C -2.190 174.504 176.600 0.156 0.000 1.194 498 E CA -1.558 54.964 56.400 0.202 0.000 0.955 498 E CB 0.028 29.848 29.700 0.199 0.000 0.988 498 E HN 0.209 nan 8.360 nan 0.000 0.461 499 P HA -0.076 nan 4.420 nan 0.000 0.265 499 P C 0.423 177.755 177.300 0.053 0.000 1.193 499 P CA 0.473 63.622 63.100 0.082 0.000 0.765 499 P CB 0.599 32.345 31.700 0.076 0.000 0.823 500 L N 2.514 123.755 121.223 0.029 0.000 2.079 500 L HA -0.230 4.185 4.340 0.126 0.000 0.210 500 L C 2.685 179.563 176.870 0.013 0.000 1.081 500 L CA 2.310 57.150 54.840 -0.001 0.000 0.752 500 L CB -0.962 41.093 42.059 -0.007 0.000 0.896 500 L HN 0.471 nan 8.230 nan 0.000 0.433 501 S N 0.583 116.300 115.700 0.029 0.000 2.442 501 S HA -0.166 4.379 4.470 0.126 0.000 0.236 501 S C 1.743 176.369 174.600 0.042 0.000 1.007 501 S CA 1.168 59.388 58.200 0.033 0.000 0.965 501 S CB -0.770 62.453 63.200 0.038 0.000 0.773 501 S HN 0.644 nan 8.310 nan 0.000 0.504 502 I N -1.476 119.126 120.570 0.053 0.000 3.684 502 I HA 0.312 4.558 4.170 0.126 0.000 0.304 502 I C 0.475 176.626 176.117 0.058 0.000 1.278 502 I CA 0.165 61.504 61.300 0.066 0.000 1.272 502 I CB -0.938 37.117 38.000 0.092 0.000 1.029 502 I HN 0.195 nan 8.210 nan 0.000 0.458 503 N N 2.558 121.281 118.700 0.038 0.000 2.705 503 N HA -0.205 4.610 4.740 0.126 0.000 0.255 503 N C 0.622 176.148 175.510 0.025 0.000 1.008 503 N CA 1.311 54.380 53.050 0.031 0.000 0.742 503 N CB -1.158 37.358 38.487 0.048 0.000 0.906 503 N HN 0.780 nan 8.380 nan 0.000 0.541 504 T N -5.795 108.757 114.554 -0.003 0.000 3.043 504 T HA 0.158 4.583 4.350 0.126 0.000 0.272 504 T C 1.359 175.997 174.700 -0.104 0.000 0.990 504 T CA 0.662 62.729 62.100 -0.055 0.000 0.897 504 T CB 0.036 68.894 68.868 -0.017 0.000 1.111 504 T HN 0.307 nan 8.240 nan 0.000 0.529 505 T N -0.920 113.569 114.554 -0.109 0.000 2.990 505 T HA 0.295 4.721 4.350 0.126 0.000 0.250 505 T C 0.422 174.926 174.700 -0.326 0.000 1.041 505 T CA -0.265 61.709 62.100 -0.210 0.000 1.010 505 T CB -0.152 68.512 68.868 -0.341 0.000 1.003 505 T HN 0.409 nan 8.240 nan 0.000 0.499 506 E N 2.238 122.304 120.200 -0.223 0.000 2.316 506 E HA 0.416 4.841 4.350 0.126 0.000 0.275 506 E C -0.604 175.842 176.600 -0.256 0.000 1.029 506 E CA -0.320 55.965 56.400 -0.191 0.000 0.871 506 E CB 0.921 30.592 29.700 -0.048 0.000 1.022 506 E HN 0.213 nan 8.360 nan 0.000 0.418 507 S N 3.716 119.203 115.700 -0.355 0.000 2.585 507 S HA 0.494 5.039 4.470 0.126 0.000 0.277 507 S C -0.660 173.695 174.600 -0.408 0.000 1.241 507 S CA -0.778 57.000 58.200 -0.704 0.000 1.041 507 S CB 0.503 62.982 63.200 -1.203 0.000 0.987 507 S HN 0.491 nan 8.310 nan 0.000 0.512 508 W N 1.154 122.244 121.300 -0.351 0.000 3.074 508 W HA 0.679 5.412 4.660 0.122 0.000 0.332 508 W C -1.576 175.033 176.519 0.150 0.000 1.253 508 W CA -1.080 56.229 57.345 -0.060 0.000 1.180 508 W CB 1.610 31.048 29.460 -0.037 0.000 1.445 508 W HN 0.567 nan 8.180 nan 0.000 0.573 509 M N 4.248 124.225 119.600 0.629 0.000 2.291 509 M HA 0.184 4.739 4.480 0.126 0.000 0.202 509 M C -2.954 173.557 176.300 0.352 0.000 0.985 509 M CA -1.262 54.328 55.300 0.483 0.000 0.993 509 M CB 1.853 34.632 32.600 0.298 0.000 2.723 509 M HN 0.049 nan 8.290 nan 0.000 0.402 510 P HA 0.120 nan 4.420 nan 0.000 0.277 510 P C -0.388 176.992 177.300 0.134 0.000 1.240 510 P CA -0.226 62.886 63.100 0.020 0.000 0.798 510 P CB 1.676 33.190 31.700 -0.311 0.000 0.979 511 V N 3.319 123.167 119.914 -0.111 0.000 2.740 511 V HA 0.131 4.326 4.120 0.126 0.000 0.303 511 V C -0.766 175.289 176.094 -0.065 0.000 1.054 511 V CA 0.261 62.408 62.300 -0.256 0.000 1.106 511 V CB -0.597 30.948 31.823 -0.464 0.000 0.957 511 V HN 0.485 nan 8.190 nan 0.000 0.486 512 W N 4.893 126.045 121.300 -0.246 0.000 2.799 512 W HA 0.695 5.429 4.660 0.123 0.000 0.349 512 W C -1.101 175.096 176.519 -0.536 0.000 1.100 512 W CA -0.372 56.846 57.345 -0.210 0.000 1.174 512 W CB 1.759 31.195 29.460 -0.040 0.000 1.427 512 W HN 0.490 nan 8.180 nan 0.000 0.547 513 Y N 0.685 121.131 120.300 0.244 0.000 2.545 513 Y HA 0.184 4.809 4.550 0.125 0.000 0.348 513 Y C 0.185 176.187 175.900 0.170 0.000 1.002 513 Y CA -1.336 56.852 58.100 0.146 0.000 1.039 513 Y CB 1.321 39.794 38.460 0.022 0.000 1.271 513 Y HN 0.200 nan 8.280 nan 0.000 0.467 514 D N 1.864 122.432 120.400 0.279 0.000 2.425 514 D HA -0.042 4.674 4.640 0.126 0.000 0.247 514 D C 0.871 177.254 176.300 0.139 0.000 1.147 514 D CA 0.139 54.252 54.000 0.189 0.000 0.879 514 D CB 1.350 42.234 40.800 0.140 0.000 1.179 514 D HN 0.677 nan 8.370 nan 0.000 0.456 515 L N 4.918 126.207 121.223 0.110 0.000 2.079 515 L HA -0.174 4.241 4.340 0.126 0.000 0.210 515 L C 1.399 178.276 176.870 0.011 0.000 1.081 515 L CA 1.903 56.762 54.840 0.030 0.000 0.752 515 L CB -0.305 41.765 42.059 0.019 0.000 0.896 515 L HN 0.493 nan 8.230 nan 0.000 0.433 516 N N -1.316 117.407 118.700 0.038 0.000 2.432 516 N HA -0.021 4.795 4.740 0.126 0.000 0.174 516 N C 0.612 176.136 175.510 0.024 0.000 1.037 516 N CA 0.782 53.848 53.050 0.027 0.000 0.892 516 N CB 0.090 38.599 38.487 0.037 0.000 1.049 516 N HN 0.510 nan 8.380 nan 0.000 0.442 517 N N -0.935 117.790 118.700 0.040 0.000 2.159 517 N HA 0.186 5.001 4.740 0.126 0.000 0.217 517 N C 0.876 176.412 175.510 0.043 0.000 1.223 517 N CA 0.340 53.412 53.050 0.036 0.000 0.896 517 N CB 0.681 39.193 38.487 0.041 0.000 1.064 517 N HN 0.059 nan 8.380 nan 0.000 0.518 518 G N 0.512 109.350 108.800 0.064 0.000 2.168 518 G HA2 -0.402 3.634 3.960 0.126 0.000 0.263 518 G HA3 -0.402 3.634 3.960 0.126 0.000 0.263 518 G C -0.084 174.930 174.900 0.190 0.000 0.977 518 G CA 0.526 45.676 45.100 0.082 0.000 0.659 518 G HN 0.667 nan 8.290 nan 0.000 0.533 519 K N 0.676 121.178 120.400 0.170 0.000 2.401 519 K HA 0.292 4.688 4.320 0.126 0.000 0.278 519 K C 0.769 177.513 176.600 0.240 0.000 1.018 519 K CA -0.289 56.103 56.287 0.175 0.000 0.981 519 K CB 0.292 32.859 32.500 0.111 0.000 0.933 519 K HN 0.377 nan 8.250 nan 0.000 0.477 520 Q N 4.552 124.488 119.800 0.226 0.000 2.313 520 Q HA 0.053 4.468 4.340 0.126 0.000 0.266 520 Q C -0.219 175.799 176.000 0.031 0.000 0.989 520 Q CA -0.601 55.224 55.803 0.037 0.000 0.890 520 Q CB 0.596 29.355 28.738 0.034 0.000 1.200 520 Q HN 0.476 nan 8.270 nan 0.000 0.396 521 I N 3.819 124.396 120.570 0.011 0.000 2.588 521 I HA 0.023 4.269 4.170 0.126 0.000 0.283 521 I C 0.852 177.024 176.117 0.093 0.000 1.119 521 I CA 0.372 61.713 61.300 0.068 0.000 1.419 521 I CB 0.398 38.457 38.000 0.098 0.000 1.394 521 I HN 0.692 nan 8.210 nan 0.000 0.562 522 T N 3.530 118.091 114.554 0.011 0.000 2.929 522 T HA 0.704 5.130 4.350 0.126 0.000 0.284 522 T C -0.333 174.232 174.700 -0.226 0.000 1.014 522 T CA -0.711 61.371 62.100 -0.030 0.000 1.051 522 T CB 1.953 70.816 68.868 -0.008 0.000 1.028 522 T HN 0.248 nan 8.240 nan 0.000 0.485 523 V N 2.456 122.168 119.914 -0.337 0.000 2.483 523 V HA 0.581 4.777 4.120 0.126 0.000 0.297 523 V C -0.238 175.728 176.094 -0.214 0.000 1.027 523 V CA -0.638 61.407 62.300 -0.426 0.000 0.855 523 V CB 1.858 33.177 31.823 -0.839 0.000 0.995 523 V HN 1.189 nan 8.190 nan 0.000 0.424 524 T N 2.826 117.290 114.554 -0.151 0.000 2.881 524 T HA 0.428 4.853 4.350 0.126 0.000 0.290 524 T C -0.406 174.243 174.700 -0.086 0.000 1.000 524 T CA -0.348 61.699 62.100 -0.089 0.000 0.978 524 T CB 1.155 69.988 68.868 -0.059 0.000 0.997 524 T HN 0.888 nan 8.240 nan 0.000 0.443 525 D N 1.625 121.987 120.400 -0.062 0.000 2.812 525 D HA -0.218 4.498 4.640 0.126 0.000 0.237 525 D C -1.019 175.206 176.300 -0.126 0.000 1.162 525 D CA 0.530 54.505 54.000 -0.042 0.000 0.740 525 D CB -1.192 39.596 40.800 -0.018 0.000 1.000 525 D HN 0.466 nan 8.370 nan 0.000 0.416 526 F N 1.971 121.706 119.950 -0.358 0.000 2.313 526 F HA 0.428 5.030 4.527 0.126 0.000 0.369 526 F C 0.168 175.741 175.800 -0.379 0.000 1.109 526 F CA -0.315 57.452 58.000 -0.389 0.000 1.132 526 F CB 0.543 39.290 39.000 -0.421 0.000 1.291 526 F HN 0.090 nan 8.300 nan 0.000 0.496 527 S N 6.298 121.660 115.700 -0.563 0.000 2.549 527 S HA 0.781 5.327 4.470 0.126 0.000 0.297 527 S C -0.744 173.565 174.600 -0.486 0.000 1.115 527 S CA -0.755 57.214 58.200 -0.385 0.000 1.059 527 S CB 1.807 64.883 63.200 -0.207 0.000 1.046 527 S HN 0.542 nan 8.310 nan 0.000 0.506 528 I N 1.571 121.949 120.570 -0.320 0.000 2.447 528 I HA 0.501 4.747 4.170 0.126 0.000 0.287 528 I C -0.276 175.842 176.117 0.002 0.000 1.023 528 I CA -0.250 60.936 61.300 -0.190 0.000 1.083 528 I CB 1.823 39.738 38.000 -0.142 0.000 1.245 528 I HN 0.796 nan 8.210 nan 0.000 0.434 529 E N 4.177 124.398 120.200 0.035 0.000 2.314 529 E HA 0.509 4.934 4.350 0.126 0.000 0.272 529 E C 0.274 176.960 176.600 0.145 0.000 0.884 529 E CA -0.516 55.941 56.400 0.095 0.000 0.753 529 E CB 2.083 31.801 29.700 0.030 0.000 1.213 529 E HN 0.802 nan 8.360 nan 0.000 0.432 530 G N 3.898 112.797 108.800 0.165 0.000 2.273 530 G HA2 -0.301 3.734 3.960 0.126 0.000 0.280 530 G HA3 -0.301 3.734 3.960 0.126 0.000 0.280 530 G C -0.340 174.720 174.900 0.267 0.000 1.047 530 G CA 0.589 45.791 45.100 0.170 0.000 0.869 530 G HN 0.460 nan 8.290 nan 0.000 0.502 531 F N 2.259 122.284 119.950 0.126 0.000 2.411 531 F HA 0.616 5.219 4.527 0.126 0.000 0.350 531 F C 0.711 176.579 175.800 0.114 0.000 1.114 531 F CA -0.125 57.963 58.000 0.146 0.000 1.135 531 F CB 1.216 40.344 39.000 0.214 0.000 1.120 531 F HN 0.280 nan 8.300 nan 0.000 0.495 532 T N 2.984 117.583 114.554 0.075 0.000 2.900 532 T HA 0.618 5.044 4.350 0.126 0.000 0.295 532 T C -1.249 173.307 174.700 -0.240 0.000 1.044 532 T CA -0.850 61.136 62.100 -0.191 0.000 0.995 532 T CB 1.742 70.589 68.868 -0.036 0.000 1.072 532 T HN 0.337 nan 8.240 nan 0.000 0.473 533 V N 3.151 122.883 119.914 -0.304 0.000 2.349 533 V HA 0.686 4.881 4.120 0.126 0.000 0.284 533 V C 1.283 177.291 176.094 -0.145 0.000 1.014 533 V CA 0.562 62.717 62.300 -0.242 0.000 0.826 533 V CB 0.219 31.899 31.823 -0.239 0.000 1.009 533 V HN 1.568 nan 8.190 nan 0.000 0.431 534 G N 5.928 114.659 108.800 -0.115 0.000 2.611 534 G HA2 -0.358 3.677 3.960 0.126 0.000 0.301 534 G HA3 -0.358 3.677 3.960 0.126 0.000 0.301 534 G C 0.501 175.367 174.900 -0.057 0.000 1.233 534 G CA 0.764 45.821 45.100 -0.072 0.000 0.993 534 G HN 1.180 nan 8.290 nan 0.000 0.553 535 N N 0.489 119.163 118.700 -0.043 0.000 2.362 535 N HA 0.321 5.136 4.740 0.126 0.000 0.204 535 N C 0.279 175.765 175.510 -0.040 0.000 1.166 535 N CA 1.084 54.114 53.050 -0.034 0.000 0.831 535 N CB 0.394 38.867 38.487 -0.023 0.000 1.008 535 N HN 0.586 nan 8.380 nan 0.000 0.472 536 T N -0.076 114.441 114.554 -0.061 0.000 2.792 536 T HA 0.301 4.726 4.350 0.126 0.000 0.280 536 T C -0.416 174.221 174.700 -0.105 0.000 0.990 536 T CA -0.531 61.527 62.100 -0.070 0.000 0.960 536 T CB 1.427 70.254 68.868 -0.068 0.000 0.939 536 T HN 0.025 nan 8.240 nan 0.000 0.439 537 T N 4.736 119.244 114.554 -0.077 0.000 2.832 537 T HA 0.317 4.742 4.350 0.126 0.000 0.296 537 T C 0.460 175.097 174.700 -0.104 0.000 0.968 537 T CA -0.532 61.523 62.100 -0.075 0.000 1.107 537 T CB 0.086 68.940 68.868 -0.024 0.000 0.916 537 T HN 0.309 nan 8.240 nan 0.000 0.517 538 I N 4.540 125.016 120.570 -0.157 0.000 2.365 538 I HA 0.360 4.605 4.170 0.126 0.000 0.291 538 I C 1.149 177.264 176.117 -0.004 0.000 1.004 538 I CA -0.345 60.866 61.300 -0.149 0.000 1.311 538 I CB 0.691 38.476 38.000 -0.357 0.000 1.401 538 I HN 0.762 nan 8.210 nan 0.000 0.491 539 T N 1.486 116.000 114.554 -0.067 0.000 2.742 539 T HA 0.646 5.072 4.350 0.126 0.000 0.282 539 T C 0.950 175.444 174.700 -0.344 0.000 1.025 539 T CA -0.153 61.902 62.100 -0.075 0.000 1.020 539 T CB 1.607 70.455 68.868 -0.032 0.000 1.317 539 T HN 0.462 nan 8.240 nan 0.000 0.538 540 A N 0.461 123.079 122.820 -0.336 0.000 2.019 540 A HA 0.029 4.425 4.320 0.126 0.000 0.219 540 A C 2.534 179.968 177.584 -0.250 0.000 1.164 540 A CA 2.285 54.040 52.037 -0.470 0.000 0.644 540 A CB -1.392 17.567 19.000 -0.068 0.000 0.805 540 A HN 0.876 nan 8.150 nan 0.000 0.449 541 S N 1.035 116.652 115.700 -0.138 0.000 2.368 541 S HA -0.159 4.386 4.470 0.126 0.000 0.224 541 S C 1.432 175.986 174.600 -0.076 0.000 1.029 541 S CA 1.607 59.761 58.200 -0.076 0.000 0.988 541 S CB -0.403 62.771 63.200 -0.042 0.000 0.838 541 S HN 0.848 nan 8.310 nan 0.000 0.462 542 N N 0.525 119.167 118.700 -0.096 0.000 2.234 542 N HA 0.391 5.206 4.740 0.126 0.000 0.227 542 N C 0.962 176.434 175.510 -0.063 0.000 1.151 542 N CA 0.584 53.596 53.050 -0.065 0.000 0.865 542 N CB -0.283 38.174 38.487 -0.051 0.000 1.066 542 N HN 0.261 nan 8.380 nan 0.000 0.515 543 A N 0.609 123.353 122.820 -0.126 0.000 1.917 543 A HA 0.009 4.405 4.320 0.126 0.000 0.219 543 A C 2.309 179.938 177.584 0.076 0.000 1.182 543 A CA 2.087 54.094 52.037 -0.050 0.000 0.633 543 A CB -0.896 17.950 19.000 -0.255 0.000 0.819 543 A HN 0.481 nan 8.150 nan 0.000 0.448 544 A N -0.201 122.640 122.820 0.036 0.000 1.850 544 A HA 0.048 4.444 4.320 0.126 0.000 0.212 544 A C 2.512 180.109 177.584 0.021 0.000 1.208 544 A CA 1.950 54.013 52.037 0.043 0.000 0.609 544 A CB -1.041 17.981 19.000 0.036 0.000 0.860 544 A HN 1.010 nan 8.150 nan 0.000 0.448 545 S N -0.618 115.088 115.700 0.010 0.000 2.399 545 S HA -0.095 4.450 4.470 0.126 0.000 0.231 545 S C 1.514 176.125 174.600 0.017 0.000 1.022 545 S CA 1.782 59.986 58.200 0.006 0.000 0.983 545 S CB -0.411 62.790 63.200 0.002 0.000 0.803 545 S HN 0.272 nan 8.310 nan 0.000 0.480 546 V N 0.576 120.507 119.914 0.029 0.000 3.013 546 V HA 0.355 4.550 4.120 0.126 0.000 0.238 546 V C 2.544 178.729 176.094 0.151 0.000 1.161 546 V CA 0.801 63.136 62.300 0.059 0.000 1.170 546 V CB -0.692 31.134 31.823 0.005 0.000 0.917 546 V HN 0.561 nan 8.190 nan 0.000 0.478 547 G N -0.370 108.513 108.800 0.138 0.000 2.813 547 G HA2 -0.040 3.996 3.960 0.126 0.000 0.209 547 G HA3 -0.040 3.996 3.960 0.126 0.000 0.209 547 G C 0.911 176.009 174.900 0.331 0.000 1.150 547 G CA 0.143 45.447 45.100 0.340 0.000 0.785 547 G HN 0.441 nan 8.290 nan 0.000 0.535 548 R N -1.202 119.343 120.500 0.074 0.000 3.770 548 R HA -0.153 4.262 4.340 0.126 0.000 0.305 548 R C -0.328 175.940 176.300 -0.053 0.000 1.184 548 R CA 0.543 56.582 56.100 -0.103 0.000 0.823 548 R CB -2.271 27.752 30.300 -0.463 0.000 1.285 548 R HN 0.411 nan 8.270 nan 0.000 0.499 549 I N 2.163 122.774 120.570 0.069 0.000 2.256 549 I HA 0.037 4.283 4.170 0.126 0.000 0.294 549 I C 0.763 176.932 176.117 0.086 0.000 1.127 549 I CA 0.097 61.432 61.300 0.059 0.000 1.247 549 I CB 0.421 38.590 38.000 0.281 0.000 1.460 549 I HN 0.126 nan 8.210 nan 0.000 0.511 550 D N 2.753 123.178 120.400 0.042 0.000 2.527 550 D HA 0.077 4.793 4.640 0.126 0.000 0.224 550 D C 1.160 177.516 176.300 0.093 0.000 1.217 550 D CA -0.091 53.950 54.000 0.068 0.000 0.819 550 D CB 0.488 41.309 40.800 0.035 0.000 1.061 550 D HN 0.398 nan 8.370 nan 0.000 0.515 551 G N 0.324 109.201 108.800 0.129 0.000 3.690 551 G HA2 0.325 4.361 3.960 0.126 0.000 0.283 551 G HA3 0.325 4.361 3.960 0.126 0.000 0.283 551 G C -0.030 175.006 174.900 0.227 0.000 1.057 551 G CA -0.247 44.965 45.100 0.186 0.000 0.821 551 G HN 0.125 nan 8.290 nan 0.000 0.526 552 V N 1.233 121.283 119.914 0.226 0.000 2.470 552 V HA 0.079 4.274 4.120 0.126 0.000 0.276 552 V C 0.353 176.540 176.094 0.153 0.000 1.040 552 V CA -0.730 61.720 62.300 0.249 0.000 1.008 552 V CB 1.061 33.045 31.823 0.269 0.000 0.990 552 V HN 0.367 nan 8.190 nan 0.000 0.477 553 D N 7.684 128.152 120.400 0.114 0.000 2.488 553 D HA 0.055 4.771 4.640 0.126 0.000 0.238 553 D C -0.985 175.291 176.300 -0.040 0.000 1.138 553 D CA -0.876 53.102 54.000 -0.037 0.000 0.873 553 D CB 1.138 41.784 40.800 -0.256 0.000 1.183 553 D HN 0.322 nan 8.370 nan 0.000 0.458 554 P HA -0.213 nan 4.420 nan 0.000 0.218 554 P C 0.679 177.959 177.300 -0.033 0.000 1.146 554 P CA 1.040 64.134 63.100 -0.011 0.000 0.813 554 P CB 0.061 31.755 31.700 -0.010 0.000 0.778 555 A N -1.276 121.458 122.820 -0.143 0.000 2.014 555 A HA -0.102 4.293 4.320 0.126 0.000 0.218 555 A C 1.912 179.488 177.584 -0.014 0.000 1.163 555 A CA 0.837 52.780 52.037 -0.155 0.000 0.652 555 A CB -1.357 17.442 19.000 -0.334 0.000 0.808 555 A HN 0.258 nan 8.150 nan 0.000 0.449 556 Y N -1.689 118.607 120.300 -0.006 0.000 2.458 556 Y HA 0.244 4.869 4.550 0.125 0.000 0.254 556 Y C 2.621 178.506 175.900 -0.025 0.000 1.120 556 Y CA -0.110 57.969 58.100 -0.035 0.000 1.282 556 Y CB 0.115 38.535 38.460 -0.067 0.000 1.109 556 Y HN 0.326 nan 8.280 nan 0.000 0.526 557 A N 0.861 123.773 122.820 0.154 0.000 1.927 557 A HA -0.246 4.150 4.320 0.126 0.000 0.220 557 A C 2.381 180.037 177.584 0.119 0.000 1.185 557 A CA 2.117 54.235 52.037 0.135 0.000 0.639 557 A CB -1.340 17.732 19.000 0.120 0.000 0.820 557 A HN 0.487 nan 8.150 nan 0.000 0.451 558 G N -1.887 106.979 108.800 0.111 0.000 2.744 558 G HA2 0.121 4.156 3.960 0.126 0.000 0.211 558 G HA3 0.121 4.156 3.960 0.126 0.000 0.211 558 G C 1.332 176.282 174.900 0.082 0.000 1.143 558 G CA 1.022 46.198 45.100 0.126 0.000 0.788 558 G HN 0.501 nan 8.290 nan 0.000 0.534 559 S N -0.652 115.020 115.700 -0.048 0.000 2.524 559 S HA 0.206 4.751 4.470 0.126 0.000 0.215 559 S C 0.477 174.740 174.600 -0.563 0.000 0.986 559 S CA -0.276 57.765 58.200 -0.266 0.000 0.911 559 S CB 0.852 63.975 63.200 -0.129 0.000 0.805 559 S HN 0.046 nan 8.310 nan 0.000 0.501 560 V N 3.410 123.122 119.914 -0.338 0.000 2.348 560 V HA 0.317 4.513 4.120 0.126 0.000 0.270 560 V C -0.632 175.305 176.094 -0.261 0.000 1.037 560 V CA -0.523 61.629 62.300 -0.246 0.000 0.872 560 V CB 0.208 31.998 31.823 -0.055 0.000 1.002 560 V HN 0.428 nan 8.190 nan 0.000 0.464 561 H N 3.893 122.897 119.070 -0.110 0.000 2.466 561 H HA 0.508 5.140 4.556 0.126 0.000 0.338 561 H C -1.357 173.833 175.328 -0.229 0.000 1.091 561 H CA -0.638 55.357 56.048 -0.088 0.000 1.207 561 H CB 1.370 31.106 29.762 -0.042 0.000 1.466 561 H HN 0.579 nan 8.280 nan 0.000 0.493 562 Y N 3.058 123.480 120.300 0.203 0.000 2.434 562 Y HA 0.151 4.776 4.550 0.125 0.000 0.341 562 Y C -0.184 175.780 175.900 0.106 0.000 0.965 562 Y CA -0.851 57.340 58.100 0.151 0.000 1.205 562 Y CB 0.446 39.000 38.460 0.157 0.000 1.121 562 Y HN 0.468 nan 8.280 nan 0.000 0.507 563 I N 4.974 125.638 120.570 0.157 0.000 2.308 563 I HA 0.134 4.379 4.170 0.126 0.000 0.293 563 I C 0.065 176.249 176.117 0.111 0.000 1.078 563 I CA -0.341 61.017 61.300 0.098 0.000 1.292 563 I CB -0.173 37.849 38.000 0.036 0.000 1.423 563 I HN 0.586 nan 8.210 nan 0.000 0.493 564 D N 0.000 120.461 120.400 0.102 0.000 6.856 564 D HA 0.000 4.716 4.640 0.126 0.000 0.175 564 D CA 0.000 54.051 54.000 0.086 0.000 0.868 564 D CB 0.000 40.852 40.800 0.087 0.000 0.688 564 D HN 0.000 nan 8.370 nan 0.000 0.683