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 2p2j_1_A DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGR IIDSSSRLVI TADEGVRAGR SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGAIMRRI LRKIAAGDXX XXXXXXXXAD PGVVEKLLEE KQA 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 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.167 175.328 -0.268 0.000 0.993 5 H CA 0.000 55.932 56.048 -0.193 0.000 1.023 5 H CB 0.000 29.663 29.762 -0.164 0.000 1.292 6 K N 1.478 121.805 120.400 -0.123 0.000 2.355 6 K HA 0.138 4.461 4.320 0.004 0.000 0.270 6 K C -0.446 176.019 176.600 -0.225 0.000 1.003 6 K CA -0.054 56.141 56.287 -0.153 0.000 0.957 6 K CB 0.295 32.742 32.500 -0.087 0.000 0.939 6 K HN 0.279 nan 8.250 nan 0.000 0.482 7 H N 0.910 119.923 119.070 -0.094 0.000 2.594 7 H HA 0.197 4.755 4.556 0.003 0.000 0.304 7 H C -0.074 175.276 175.328 0.037 0.000 1.068 7 H CA -0.500 55.522 56.048 -0.044 0.000 1.308 7 H CB 1.390 31.108 29.762 -0.075 0.000 1.409 7 H HN 0.684 nan 8.280 nan 0.000 0.460 8 A N 4.257 127.165 122.820 0.147 0.000 2.366 8 A HA 0.213 4.536 4.320 0.004 0.000 0.249 8 A C 0.579 178.256 177.584 0.155 0.000 1.084 8 A CA -0.501 51.609 52.037 0.122 0.000 0.794 8 A CB 0.064 19.117 19.000 0.089 0.000 1.034 8 A HN 0.738 nan 8.150 nan 0.000 0.491 9 I N 3.090 123.729 120.570 0.115 0.000 2.587 9 I HA 0.138 4.310 4.170 0.004 0.000 0.284 9 I C -1.497 174.682 176.117 0.103 0.000 1.134 9 I CA -1.000 60.364 61.300 0.108 0.000 1.410 9 I CB 0.382 38.428 38.000 0.078 0.000 1.392 9 I HN 0.518 nan 8.210 nan 0.000 0.545 10 P HA 0.157 nan 4.420 nan 0.000 0.274 10 P C 0.343 177.678 177.300 0.058 0.000 1.237 10 P CA -0.454 62.699 63.100 0.089 0.000 0.793 10 P CB 1.175 32.928 31.700 0.088 0.000 0.977 11 A N 2.936 125.783 122.820 0.045 0.000 1.908 11 A HA -0.240 4.082 4.320 0.004 0.000 0.218 11 A C 1.964 179.561 177.584 0.021 0.000 1.181 11 A CA 2.025 54.081 52.037 0.032 0.000 0.627 11 A CB -1.425 17.591 19.000 0.026 0.000 0.818 11 A HN 0.782 nan 8.150 nan 0.000 0.445 12 N N 0.520 119.227 118.700 0.011 0.000 2.149 12 N HA -0.176 4.566 4.740 0.004 0.000 0.188 12 N C 1.506 177.012 175.510 -0.007 0.000 1.019 12 N CA 1.982 55.028 53.050 -0.006 0.000 0.857 12 N CB -0.513 37.962 38.487 -0.021 0.000 0.997 12 N HN 0.404 nan 8.380 nan 0.000 0.426 13 I N 1.785 122.362 120.570 0.012 0.000 2.233 13 I HA -0.064 4.109 4.170 0.004 0.000 0.243 13 I C 2.803 178.943 176.117 0.039 0.000 1.093 13 I CA 0.918 62.233 61.300 0.025 0.000 1.380 13 I CB -1.735 36.292 38.000 0.044 0.000 1.067 13 I HN 0.180 nan 8.210 nan 0.000 0.413 14 A N 0.977 123.822 122.820 0.042 0.000 1.927 14 A HA -0.251 4.071 4.320 0.004 0.000 0.220 14 A C 1.868 179.477 177.584 0.042 0.000 1.185 14 A CA 2.268 54.332 52.037 0.046 0.000 0.639 14 A CB -0.725 18.301 19.000 0.043 0.000 0.820 14 A HN 0.420 nan 8.150 nan 0.000 0.451 15 D N -1.102 119.316 120.400 0.029 0.000 2.312 15 D HA -0.085 4.557 4.640 0.004 0.000 0.211 15 D C 2.018 178.339 176.300 0.033 0.000 0.964 15 D CA 1.437 55.453 54.000 0.026 0.000 0.877 15 D CB -0.138 40.669 40.800 0.012 0.000 0.924 15 D HN 0.851 nan 8.370 nan 0.000 0.515 16 R N 0.116 120.635 120.500 0.032 0.000 2.369 16 R HA 0.120 4.463 4.340 0.004 0.000 0.210 16 R C 1.054 177.471 176.300 0.195 0.000 0.881 16 R CA -0.164 55.966 56.100 0.049 0.000 1.031 16 R CB -0.750 29.454 30.300 -0.160 0.000 1.184 16 R HN 0.135 nan 8.270 nan 0.000 0.581 17 C N 1.360 120.749 119.300 0.148 0.000 2.563 17 C HA 0.165 4.628 4.460 0.004 0.000 0.411 17 C C 1.862 176.956 174.990 0.174 0.000 1.386 17 C CA -0.787 58.340 59.018 0.182 0.000 1.703 17 C CB -0.242 27.567 27.740 0.115 0.000 2.596 17 C HN 0.509 nan 8.230 nan 0.000 0.605 18 L N 2.338 123.668 121.223 0.178 0.000 2.093 18 L HA 0.089 4.431 4.340 0.004 0.000 0.208 18 L C 0.908 177.809 176.870 0.052 0.000 1.085 18 L CA 1.053 55.963 54.840 0.116 0.000 0.755 18 L CB -0.422 41.744 42.059 0.177 0.000 0.904 18 L HN 0.663 nan 8.230 nan 0.000 0.435 19 I N 1.068 121.669 120.570 0.052 0.000 2.411 19 I HA 0.190 4.362 4.170 0.004 0.000 0.284 19 I C -0.473 175.687 176.117 0.072 0.000 1.012 19 I CA -0.696 60.618 61.300 0.024 0.000 1.119 19 I CB 0.938 38.941 38.000 0.005 0.000 1.261 19 I HN 0.160 nan 8.210 nan 0.000 0.448 20 N N 7.943 126.685 118.700 0.070 0.000 2.448 20 N HA 0.478 5.220 4.740 0.004 0.000 0.274 20 N C -2.387 173.183 175.510 0.100 0.000 1.239 20 N CA -1.770 51.324 53.050 0.074 0.000 0.982 20 N CB 0.113 38.636 38.487 0.060 0.000 1.199 20 N HN 0.099 nan 8.380 nan 0.000 0.576 21 P HA -0.041 nan 4.420 nan 0.000 0.217 21 P C 0.541 177.929 177.300 0.148 0.000 1.150 21 P CA 1.416 64.583 63.100 0.112 0.000 0.832 21 P CB 0.215 31.959 31.700 0.073 0.000 0.787 22 E N -0.327 119.932 120.200 0.099 0.000 2.072 22 E HA -0.157 4.195 4.350 0.004 0.000 0.191 22 E C 2.154 178.795 176.600 0.069 0.000 0.985 22 E CA 1.150 57.596 56.400 0.078 0.000 0.801 22 E CB -0.876 28.854 29.700 0.050 0.000 0.750 22 E HN 0.365 nan 8.360 nan 0.000 0.452 23 Q N -0.721 119.119 119.800 0.066 0.000 2.124 23 Q HA -0.187 4.156 4.340 0.004 0.000 0.202 23 Q C 1.908 177.946 176.000 0.063 0.000 0.977 23 Q CA 1.423 57.243 55.803 0.029 0.000 0.850 23 Q CB -0.310 28.433 28.738 0.009 0.000 0.901 23 Q HN 0.388 nan 8.270 nan 0.000 0.429 24 Y N 1.873 122.220 120.300 0.078 0.000 2.097 24 Y HA -0.262 4.290 4.550 0.004 0.000 0.282 24 Y C 2.080 178.095 175.900 0.193 0.000 1.152 24 Y CA 1.640 59.855 58.100 0.191 0.000 1.136 24 Y CB 0.033 38.541 38.460 0.080 0.000 0.975 24 Y HN -0.001 nan 8.280 nan 0.000 0.498 25 E N -0.288 119.944 120.200 0.053 0.000 2.077 25 E HA -0.159 4.194 4.350 0.004 0.000 0.193 25 E C 2.206 178.760 176.600 -0.077 0.000 0.989 25 E CA 1.831 58.215 56.400 -0.025 0.000 0.800 25 E CB -0.670 29.088 29.700 0.097 0.000 0.746 25 E HN 0.538 nan 8.360 nan 0.000 0.452 26 T N 1.611 116.127 114.554 -0.064 0.000 2.674 26 T HA -0.124 4.228 4.350 0.004 0.000 0.265 26 T C 1.914 176.503 174.700 -0.186 0.000 1.039 26 T CA 1.371 63.417 62.100 -0.090 0.000 1.150 26 T CB -0.085 68.745 68.868 -0.063 0.000 0.864 26 T HN 0.138 nan 8.240 nan 0.000 0.427 27 K N -0.103 120.126 120.400 -0.285 0.000 2.057 27 K HA -0.104 4.219 4.320 0.004 0.000 0.207 27 K C 2.183 178.347 176.600 -0.726 0.000 1.049 27 K CA 1.342 57.296 56.287 -0.555 0.000 0.931 27 K CB -0.354 31.549 32.500 -0.995 0.000 0.714 27 K HN 0.371 nan 8.250 nan 0.000 0.440 28 Y N 2.246 122.230 120.300 -0.526 0.000 2.097 28 Y HA -0.276 4.273 4.550 -0.002 0.000 0.282 28 Y C 2.402 178.097 175.900 -0.341 0.000 1.152 28 Y CA 1.743 59.613 58.100 -0.384 0.000 1.136 28 Y CB -0.039 38.088 38.460 -0.555 0.000 0.975 28 Y HN -0.101 nan 8.280 nan 0.000 0.498 29 K N 0.087 120.378 120.400 -0.182 0.000 2.063 29 K HA -0.298 4.025 4.320 0.004 0.000 0.208 29 K C 2.318 178.769 176.600 -0.249 0.000 1.048 29 K CA 1.922 58.115 56.287 -0.156 0.000 0.928 29 K CB -0.292 32.187 32.500 -0.035 0.000 0.713 29 K HN 0.525 nan 8.250 nan 0.000 0.442 30 Q N 0.403 120.032 119.800 -0.286 0.000 2.119 30 Q HA -0.141 4.201 4.340 0.004 0.000 0.201 30 Q C 1.963 177.734 176.000 -0.380 0.000 0.972 30 Q CA 1.861 57.519 55.803 -0.242 0.000 0.847 30 Q CB -0.047 28.613 28.738 -0.131 0.000 0.903 30 Q HN 0.456 nan 8.270 nan 0.000 0.433 31 S N -0.093 115.117 115.700 -0.816 0.000 2.399 31 S HA -0.128 4.344 4.470 0.004 0.000 0.231 31 S C 1.792 176.167 174.600 -0.375 0.000 1.022 31 S CA 1.007 58.631 58.200 -0.960 0.000 0.983 31 S CB -0.209 62.150 63.200 -1.402 0.000 0.803 31 S HN 0.359 nan 8.310 nan 0.000 0.480 32 I N 2.611 122.936 120.570 -0.408 0.000 2.494 32 I HA 0.083 4.256 4.170 0.004 0.000 0.250 32 I C 1.935 178.000 176.117 -0.087 0.000 1.112 32 I CA 0.645 61.816 61.300 -0.215 0.000 1.438 32 I CB -1.693 36.142 38.000 -0.275 0.000 1.111 32 I HN 0.283 nan 8.210 nan 0.000 0.431 33 N N 0.547 119.186 118.700 -0.102 0.000 2.216 33 N HA -0.106 4.637 4.740 0.004 0.000 0.183 33 N C 0.384 175.886 175.510 -0.013 0.000 1.017 33 N CA 1.071 54.095 53.050 -0.042 0.000 0.861 33 N CB 0.070 38.531 38.487 -0.044 0.000 0.986 33 N HN 0.264 nan 8.380 nan 0.000 0.428 34 D N -0.804 119.590 120.400 -0.011 0.000 2.714 34 D HA 0.174 4.817 4.640 0.004 0.000 0.264 34 D C -2.056 174.304 176.300 0.100 0.000 1.231 34 D CA -1.586 52.436 54.000 0.037 0.000 0.802 34 D CB 1.072 41.888 40.800 0.027 0.000 1.319 34 D HN -0.031 nan 8.370 nan 0.000 0.528 35 P HA -0.072 nan 4.420 nan 0.000 0.218 35 P C 0.841 178.400 177.300 0.431 0.000 1.149 35 P CA 0.735 64.056 63.100 0.369 0.000 0.817 35 P CB 0.773 32.757 31.700 0.472 0.000 0.785 36 D N -0.365 120.183 120.400 0.246 0.000 2.104 36 D HA -0.113 4.530 4.640 0.004 0.000 0.194 36 D C 1.995 178.412 176.300 0.196 0.000 0.994 36 D CA 1.618 55.734 54.000 0.192 0.000 0.830 36 D CB -1.043 39.807 40.800 0.084 0.000 0.959 36 D HN 0.149 nan 8.370 nan 0.000 0.452 37 T N 0.382 115.023 114.554 0.146 0.000 2.674 37 T HA -0.143 4.210 4.350 0.004 0.000 0.265 37 T C 1.766 176.528 174.700 0.103 0.000 1.039 37 T CA 0.815 62.981 62.100 0.110 0.000 1.150 37 T CB -0.614 68.297 68.868 0.071 0.000 0.864 37 T HN 0.112 nan 8.240 nan 0.000 0.427 38 F N 0.398 120.319 119.950 -0.049 0.000 2.069 38 F HA -0.111 4.413 4.527 -0.006 0.000 0.298 38 F C 1.861 177.546 175.800 -0.192 0.000 1.113 38 F CA 1.308 59.175 58.000 -0.222 0.000 1.214 38 F CB -0.450 38.292 39.000 -0.430 0.000 0.978 38 F HN 0.205 nan 8.300 nan 0.000 0.474 39 W N 0.093 121.549 121.300 0.259 0.000 2.584 39 W HA 0.124 4.795 4.660 0.017 0.000 0.264 39 W C 2.560 179.245 176.519 0.277 0.000 1.264 39 W CA 0.703 58.196 57.345 0.248 0.000 1.306 39 W CB -0.989 28.708 29.460 0.395 0.000 1.110 39 W HN 0.129 nan 8.180 nan 0.000 0.606 40 G N 0.779 109.829 108.800 0.416 0.000 2.459 40 G HA2 -0.275 3.688 3.960 0.004 0.000 0.217 40 G HA3 -0.275 3.688 3.960 0.004 0.000 0.217 40 G C 1.232 176.323 174.900 0.319 0.000 1.183 40 G CA 1.259 46.611 45.100 0.420 0.000 0.776 40 G HN 0.274 nan 8.290 nan 0.000 0.552 41 E N -0.594 119.676 120.200 0.117 0.000 2.072 41 E HA -0.105 4.248 4.350 0.004 0.000 0.191 41 E C 2.507 179.105 176.600 -0.003 0.000 0.985 41 E CA 1.046 57.455 56.400 0.015 0.000 0.801 41 E CB -0.043 29.605 29.700 -0.087 0.000 0.750 41 E HN 0.376 nan 8.360 nan 0.000 0.452 42 Q N 0.058 119.802 119.800 -0.095 0.000 2.230 42 Q HA -0.025 4.318 4.340 0.004 0.000 0.202 42 Q C 1.906 178.038 176.000 0.219 0.000 0.963 42 Q CA 1.443 57.208 55.803 -0.064 0.000 0.866 42 Q CB -0.435 28.050 28.738 -0.422 0.000 0.931 42 Q HN 0.271 nan 8.270 nan 0.000 0.452 43 G N 0.449 109.456 108.800 0.344 0.000 2.501 43 G HA2 -0.224 3.739 3.960 0.004 0.000 0.220 43 G HA3 -0.224 3.739 3.960 0.004 0.000 0.220 43 G C 1.116 176.243 174.900 0.378 0.000 1.114 43 G CA 0.585 45.848 45.100 0.271 0.000 0.757 43 G HN 0.215 nan 8.290 nan 0.000 0.559 44 K N 0.218 120.783 120.400 0.274 0.000 2.555 44 K HA 0.129 4.452 4.320 0.004 0.000 0.193 44 K C 1.911 178.616 176.600 0.174 0.000 1.032 44 K CA -0.105 56.316 56.287 0.222 0.000 1.004 44 K CB -0.217 32.352 32.500 0.115 0.000 0.804 44 K HN 0.469 nan 8.250 nan 0.000 0.496 45 I N 0.714 121.378 120.570 0.157 0.000 2.657 45 I HA -0.164 4.009 4.170 0.004 0.000 0.261 45 I C 0.282 176.442 176.117 0.070 0.000 1.212 45 I CA 0.710 62.067 61.300 0.095 0.000 1.453 45 I CB 0.262 38.303 38.000 0.068 0.000 1.092 45 I HN 0.010 nan 8.210 nan 0.000 0.452 46 L N -0.245 121.043 121.223 0.108 0.000 2.304 46 L HA 0.411 4.754 4.340 0.004 0.000 0.268 46 L C -0.807 176.046 176.870 -0.029 0.000 1.010 46 L CA -1.126 53.681 54.840 -0.055 0.000 0.813 46 L CB 0.898 42.777 42.059 -0.301 0.000 1.315 46 L HN -0.195 nan 8.230 nan 0.000 0.445 47 D N 0.164 120.463 120.400 -0.169 0.000 2.249 47 D HA 0.333 4.975 4.640 0.004 0.000 0.246 47 D C -1.180 174.982 176.300 -0.229 0.000 1.114 47 D CA 0.167 54.111 54.000 -0.094 0.000 0.854 47 D CB 0.819 41.557 40.800 -0.104 0.000 1.132 47 D HN 0.142 nan 8.370 nan 0.000 0.461 48 W N 2.188 123.466 121.300 -0.037 0.000 2.606 48 W HA 0.421 5.083 4.660 0.003 0.000 0.332 48 W C 1.201 177.703 176.519 -0.029 0.000 1.052 48 W CA -0.694 56.636 57.345 -0.025 0.000 1.223 48 W CB 0.741 30.178 29.460 -0.037 0.000 1.383 48 W HN 0.329 nan 8.180 nan 0.000 0.524 49 I N 1.151 121.830 120.570 0.181 0.000 2.235 49 I HA -0.084 4.089 4.170 0.004 0.000 0.241 49 I C 1.400 177.584 176.117 0.111 0.000 1.085 49 I CA 1.088 62.451 61.300 0.105 0.000 1.378 49 I CB -0.414 37.624 38.000 0.064 0.000 1.076 49 I HN 0.391 nan 8.210 nan 0.000 0.415 50 T N -0.217 114.425 114.554 0.147 0.000 2.797 50 T HA 0.479 4.832 4.350 0.004 0.000 0.279 50 T C -2.712 172.049 174.700 0.102 0.000 0.991 50 T CA -2.277 59.882 62.100 0.098 0.000 0.979 50 T CB 1.803 70.716 68.868 0.073 0.000 0.943 50 T HN -0.218 nan 8.240 nan 0.000 0.444 51 P HA 0.224 nan 4.420 nan 0.000 0.275 51 P C -0.565 176.562 177.300 -0.288 0.000 1.228 51 P CA -0.499 62.428 63.100 -0.289 0.000 0.786 51 P CB 0.048 31.548 31.700 -0.333 0.000 0.927 52 Y N 0.084 120.190 120.300 -0.324 0.000 2.299 52 Y HA 0.354 4.905 4.550 0.002 0.000 0.335 52 Y C 1.252 177.080 175.900 -0.120 0.000 1.287 52 Y CA -0.218 57.757 58.100 -0.209 0.000 1.424 52 Y CB 0.029 38.327 38.460 -0.269 0.000 1.326 52 Y HN 0.348 nan 8.280 nan 0.000 0.567 53 Q N 1.016 120.910 119.800 0.157 0.000 2.586 53 Q HA 0.229 4.571 4.340 0.004 0.000 0.243 53 Q C 0.353 176.438 176.000 0.141 0.000 0.846 53 Q CA 0.606 56.473 55.803 0.107 0.000 0.959 53 Q CB 0.189 28.947 28.738 0.032 0.000 1.227 53 Q HN 0.744 nan 8.270 nan 0.000 0.611 54 K N 0.741 121.196 120.400 0.093 0.000 2.326 54 K HA 0.398 4.721 4.320 0.004 0.000 0.275 54 K C 0.492 177.083 176.600 -0.015 0.000 1.018 54 K CA 0.002 56.297 56.287 0.014 0.000 0.962 54 K CB 0.440 32.915 32.500 -0.041 0.000 0.953 54 K HN 0.046 nan 8.250 nan 0.000 0.475 55 V N 1.558 121.405 119.914 -0.111 0.000 3.654 55 V HA 0.241 4.364 4.120 0.004 0.000 0.204 55 V C 0.894 176.684 176.094 -0.508 0.000 1.135 55 V CA 0.224 62.366 62.300 -0.264 0.000 1.368 55 V CB 0.040 31.841 31.823 -0.038 0.000 1.519 55 V HN 0.842 nan 8.190 nan 0.000 0.496 56 K N 2.037 122.097 120.400 -0.567 0.000 2.258 56 K HA 0.251 4.574 4.320 0.004 0.000 0.284 56 K C -0.821 175.340 176.600 -0.733 0.000 1.051 56 K CA -0.023 55.593 56.287 -1.119 0.000 0.923 56 K CB 0.314 32.264 32.500 -0.917 0.000 1.046 56 K HN 0.414 nan 8.250 nan 0.000 0.474 57 N N 3.065 121.275 118.700 -0.817 0.000 2.751 57 N HA 0.084 4.826 4.740 0.004 0.000 0.234 57 N C -1.907 173.349 175.510 -0.423 0.000 1.403 57 N CA -0.318 52.448 53.050 -0.472 0.000 0.747 57 N CB 1.047 39.339 38.487 -0.324 0.000 1.326 57 N HN 0.681 nan 8.380 nan 0.000 0.532 58 T N -1.886 112.425 114.554 -0.405 0.000 2.916 58 T HA 0.812 5.164 4.350 0.004 0.000 0.292 58 T C -0.707 173.858 174.700 -0.226 0.000 1.055 58 T CA -0.759 61.158 62.100 -0.306 0.000 1.009 58 T CB 1.953 70.603 68.868 -0.363 0.000 1.118 58 T HN 0.079 nan 8.240 nan 0.000 0.497 59 S N 0.149 115.771 115.700 -0.129 0.000 2.536 59 S HA 0.583 5.055 4.470 0.004 0.000 0.271 59 S C -0.869 173.802 174.600 0.119 0.000 1.134 59 S CA -0.902 57.254 58.200 -0.072 0.000 0.897 59 S CB 0.961 64.142 63.200 -0.032 0.000 1.094 59 S HN 0.744 nan 8.310 nan 0.000 0.473 60 F N 1.852 121.788 119.950 -0.023 0.000 2.653 60 F HA 0.359 4.889 4.527 0.005 0.000 0.304 60 F C 1.429 177.221 175.800 -0.014 0.000 1.092 60 F CA -0.576 57.396 58.000 -0.046 0.000 1.279 60 F CB 0.487 39.624 39.000 0.228 0.000 1.044 60 F HN 0.694 nan 8.300 nan 0.000 0.564 61 A N 1.727 124.646 122.820 0.165 0.000 2.498 61 A HA 0.231 4.554 4.320 0.004 0.000 0.239 61 A C -2.303 175.327 177.584 0.076 0.000 1.068 61 A CA -1.189 50.918 52.037 0.115 0.000 0.766 61 A CB -0.433 18.610 19.000 0.072 0.000 1.003 61 A HN -0.054 nan 8.150 nan 0.000 0.497 62 P HA 0.140 nan 4.420 nan 0.000 0.261 62 P C 1.122 178.447 177.300 0.041 0.000 1.173 62 P CA 2.017 65.152 63.100 0.059 0.000 0.760 62 P CB 0.427 32.161 31.700 0.057 0.000 0.783 63 G N 2.777 111.597 108.800 0.034 0.000 2.196 63 G HA2 -0.287 3.675 3.960 0.004 0.000 0.268 63 G HA3 -0.287 3.675 3.960 0.004 0.000 0.268 63 G C 0.574 175.500 174.900 0.044 0.000 0.975 63 G CA 0.004 45.127 45.100 0.037 0.000 0.648 63 G HN 0.626 nan 8.290 nan 0.000 0.538 64 N N -0.275 118.449 118.700 0.039 0.000 2.628 64 N HA 0.233 4.975 4.740 0.004 0.000 0.299 64 N C -0.057 175.476 175.510 0.038 0.000 1.834 64 N CA -0.041 53.034 53.050 0.042 0.000 0.871 64 N CB 1.280 39.782 38.487 0.026 0.000 1.377 64 N HN 0.120 nan 8.380 nan 0.000 0.493 65 V N 1.155 121.088 119.914 0.031 0.000 2.415 65 V HA 0.256 4.379 4.120 0.004 0.000 0.267 65 V C 0.465 176.651 176.094 0.153 0.000 1.042 65 V CA 0.286 62.557 62.300 -0.049 0.000 1.000 65 V CB 0.834 32.428 31.823 -0.382 0.000 1.015 65 V HN 0.224 nan 8.190 nan 0.000 0.478 66 S N 6.112 121.864 115.700 0.087 0.000 2.649 66 S HA 0.707 5.179 4.470 0.004 0.000 0.274 66 S C -1.101 173.507 174.600 0.014 0.000 1.176 66 S CA -0.509 57.724 58.200 0.055 0.000 0.988 66 S CB 0.819 64.015 63.200 -0.006 0.000 1.071 66 S HN 0.513 nan 8.310 nan 0.000 0.478 67 I N 4.481 125.058 120.570 0.013 0.000 2.439 67 I HA 0.517 4.690 4.170 0.004 0.000 0.285 67 I C -0.487 175.595 176.117 -0.058 0.000 1.021 67 I CA -0.368 60.927 61.300 -0.007 0.000 1.091 67 I CB 1.860 39.922 38.000 0.103 0.000 1.242 67 I HN 0.391 nan 8.210 nan 0.000 0.439 68 K N 5.106 125.389 120.400 -0.195 0.000 2.468 68 K HA 0.572 4.894 4.320 0.004 0.000 0.252 68 K C -1.951 174.410 176.600 -0.399 0.000 0.932 68 K CA -0.704 55.479 56.287 -0.174 0.000 0.794 68 K CB 2.407 34.813 32.500 -0.156 0.000 1.241 68 K HN 0.343 nan 8.250 nan 0.000 0.428 69 W N 2.107 123.286 121.300 -0.202 0.000 2.883 69 W HA 0.289 4.950 4.660 0.002 0.000 0.335 69 W C -0.456 175.922 176.519 -0.234 0.000 1.083 69 W CA -0.257 56.853 57.345 -0.391 0.000 1.233 69 W CB 0.769 29.926 29.460 -0.506 0.000 1.412 69 W HN 0.664 nan 8.180 nan 0.000 0.490 70 Y N 0.246 120.541 120.300 -0.008 0.000 3.721 70 Y HA -0.404 4.147 4.550 0.002 0.000 0.218 70 Y C 2.003 177.913 175.900 0.017 0.000 1.188 70 Y CA 1.073 59.063 58.100 -0.183 0.000 1.607 70 Y CB -1.408 36.862 38.460 -0.316 0.000 1.496 70 Y HN 0.633 nan 8.280 nan 0.000 0.626 71 E N 1.015 121.277 120.200 0.104 0.000 2.209 71 E HA -0.235 4.118 4.350 0.004 0.000 0.196 71 E C 1.169 177.844 176.600 0.125 0.000 0.993 71 E CA 1.726 58.188 56.400 0.104 0.000 0.819 71 E CB -0.122 29.586 29.700 0.014 0.000 0.745 71 E HN 0.693 nan 8.360 nan 0.000 0.477 72 D N 0.718 121.194 120.400 0.126 0.000 2.340 72 D HA 0.147 4.789 4.640 0.004 0.000 0.217 72 D C 0.609 176.998 176.300 0.147 0.000 1.081 72 D CA 0.070 54.136 54.000 0.109 0.000 0.842 72 D CB 0.154 40.995 40.800 0.069 0.000 0.934 72 D HN 0.182 nan 8.370 nan 0.000 0.511 73 G N -0.189 108.749 108.800 0.231 0.000 2.434 73 G HA2 0.556 4.518 3.960 0.004 0.000 0.330 73 G HA3 0.556 4.518 3.960 0.004 0.000 0.330 73 G C -0.311 174.852 174.900 0.439 0.000 1.155 73 G CA -0.502 44.781 45.100 0.306 0.000 0.917 73 G HN 0.193 nan 8.290 nan 0.000 0.493 74 T N -1.616 113.208 114.554 0.449 0.000 2.916 74 T HA 0.781 5.133 4.350 0.004 0.000 0.292 74 T C -0.301 174.563 174.700 0.274 0.000 1.055 74 T CA -0.638 61.649 62.100 0.312 0.000 1.009 74 T CB 1.647 70.616 68.868 0.168 0.000 1.118 74 T HN 1.324 nan 8.240 nan 0.000 0.497 75 L N -0.973 120.278 121.223 0.047 0.000 2.999 75 L HA 0.788 5.130 4.340 0.004 0.000 0.274 75 L C -1.890 174.911 176.870 -0.115 0.000 1.044 75 L CA -1.294 53.454 54.840 -0.152 0.000 0.943 75 L CB 1.962 43.676 42.059 -0.575 0.000 1.522 75 L HN 0.803 nan 8.230 nan 0.000 0.400 76 N N -0.215 118.401 118.700 -0.140 0.000 2.410 76 N HA 0.423 5.165 4.740 0.004 0.000 0.287 76 N C 0.182 175.624 175.510 -0.113 0.000 1.044 76 N CA -0.762 52.237 53.050 -0.085 0.000 0.881 76 N CB 2.315 40.787 38.487 -0.026 0.000 1.405 76 N HN 0.871 nan 8.380 nan 0.000 0.490 77 L N 3.896 125.055 121.223 -0.106 0.000 2.093 77 L HA 0.052 4.394 4.340 0.004 0.000 0.208 77 L C 1.937 178.781 176.870 -0.044 0.000 1.085 77 L CA 1.866 56.634 54.840 -0.120 0.000 0.755 77 L CB -0.202 41.750 42.059 -0.180 0.000 0.904 77 L HN 0.744 nan 8.230 nan 0.000 0.435 78 A N -0.036 122.785 122.820 0.002 0.000 1.933 78 A HA -0.139 4.183 4.320 0.004 0.000 0.218 78 A C 2.440 180.070 177.584 0.077 0.000 1.175 78 A CA 1.599 53.677 52.037 0.068 0.000 0.628 78 A CB -0.917 18.129 19.000 0.076 0.000 0.814 78 A HN 0.605 nan 8.150 nan 0.000 0.444 79 A N 0.084 122.921 122.820 0.029 0.000 1.930 79 A HA -0.168 4.154 4.320 0.004 0.000 0.217 79 A C 1.958 179.499 177.584 -0.071 0.000 1.175 79 A CA 1.509 53.547 52.037 0.001 0.000 0.627 79 A CB -0.581 18.405 19.000 -0.023 0.000 0.815 79 A HN 0.594 nan 8.150 nan 0.000 0.443 80 N N -0.544 118.101 118.700 -0.091 0.000 2.331 80 N HA -0.107 4.636 4.740 0.004 0.000 0.180 80 N C 1.327 176.832 175.510 -0.007 0.000 1.019 80 N CA 1.469 54.444 53.050 -0.125 0.000 0.881 80 N CB -0.220 38.180 38.487 -0.146 0.000 0.972 80 N HN 0.507 nan 8.380 nan 0.000 0.435 81 C N -0.256 119.110 119.300 0.110 0.000 2.673 81 C HA 0.312 4.774 4.460 0.004 0.000 0.264 81 C C 2.177 177.446 174.990 0.465 0.000 1.304 81 C CA -0.133 59.063 59.018 0.296 0.000 1.727 81 C CB -0.657 27.225 27.740 0.236 0.000 1.932 81 C HN 0.327 nan 8.230 nan 0.000 0.563 82 L N -0.930 120.476 121.223 0.305 0.000 3.099 82 L HA 0.214 4.556 4.340 0.004 0.000 0.165 82 L C 1.606 178.568 176.870 0.154 0.000 1.151 82 L CA 0.267 55.337 54.840 0.384 0.000 0.878 82 L CB -0.722 41.552 42.059 0.360 0.000 1.615 82 L HN -0.103 nan 8.230 nan 0.000 0.545 83 D N 1.278 121.721 120.400 0.071 0.000 2.116 83 D HA -0.216 4.427 4.640 0.004 0.000 0.193 83 D C 1.972 178.173 176.300 -0.165 0.000 0.998 83 D CA 1.791 55.750 54.000 -0.068 0.000 0.836 83 D CB -0.193 40.613 40.800 0.011 0.000 0.951 83 D HN 0.302 nan 8.370 nan 0.000 0.449 84 R N 0.173 120.517 120.500 -0.260 0.000 2.193 84 R HA -0.095 4.248 4.340 0.004 0.000 0.229 84 R C 1.276 177.349 176.300 -0.378 0.000 1.110 84 R CA 1.206 57.108 56.100 -0.330 0.000 0.988 84 R CB -0.576 29.504 30.300 -0.367 0.000 0.871 84 R HN 0.385 nan 8.270 nan 0.000 0.458 85 H N 0.607 119.583 119.070 -0.156 0.000 2.551 85 H HA 0.132 4.690 4.556 0.003 0.000 0.266 85 H C 2.052 177.270 175.328 -0.182 0.000 0.964 85 H CA 0.532 56.428 56.048 -0.254 0.000 1.180 85 H CB 0.176 29.575 29.762 -0.604 0.000 1.408 85 H HN 0.206 nan 8.280 nan 0.000 0.563 86 L N 0.598 121.787 121.223 -0.057 0.000 2.017 86 L HA -0.225 4.117 4.340 0.004 0.000 0.208 86 L C 2.778 179.629 176.870 -0.032 0.000 1.073 86 L CA 1.334 56.147 54.840 -0.045 0.000 0.745 86 L CB -0.379 41.597 42.059 -0.139 0.000 0.894 86 L HN 0.204 nan 8.230 nan 0.000 0.432 87 Q N 0.541 120.313 119.800 -0.046 0.000 2.045 87 Q HA -0.239 4.103 4.340 0.004 0.000 0.206 87 Q C 1.974 177.969 176.000 -0.009 0.000 0.991 87 Q CA 1.997 57.783 55.803 -0.028 0.000 0.851 87 Q CB -0.019 28.699 28.738 -0.033 0.000 0.911 87 Q HN 0.417 nan 8.270 nan 0.000 0.418 88 E N -1.122 119.073 120.200 -0.007 0.000 2.307 88 E HA 0.083 4.436 4.350 0.004 0.000 0.195 88 E C 0.381 176.990 176.600 0.015 0.000 0.975 88 E CA 0.500 56.904 56.400 0.006 0.000 0.878 88 E CB 0.281 29.987 29.700 0.009 0.000 0.845 88 E HN 0.467 nan 8.360 nan 0.000 0.488 89 N N -0.309 118.395 118.700 0.006 0.000 2.305 89 N HA 0.103 4.845 4.740 0.004 0.000 0.248 89 N C 1.138 176.680 175.510 0.052 0.000 1.290 89 N CA 0.067 53.125 53.050 0.012 0.000 0.873 89 N CB 1.253 39.714 38.487 -0.042 0.000 1.261 89 N HN 0.045 nan 8.380 nan 0.000 0.504 90 G N 0.390 109.229 108.800 0.065 0.000 2.448 90 G HA2 -0.228 3.734 3.960 0.004 0.000 0.219 90 G HA3 -0.228 3.734 3.960 0.004 0.000 0.219 90 G C 1.094 176.083 174.900 0.148 0.000 1.127 90 G CA 0.811 45.981 45.100 0.116 0.000 0.766 90 G HN 0.277 nan 8.290 nan 0.000 0.552 91 D N -0.407 120.062 120.400 0.116 0.000 2.347 91 D HA 0.011 4.653 4.640 0.004 0.000 0.213 91 D C 1.348 177.733 176.300 0.142 0.000 0.985 91 D CA -0.059 54.009 54.000 0.112 0.000 0.879 91 D CB 0.255 41.102 40.800 0.080 0.000 0.919 91 D HN 0.249 nan 8.370 nan 0.000 0.526 92 R N 1.506 122.115 120.500 0.181 0.000 2.590 92 R HA 0.049 4.392 4.340 0.004 0.000 0.274 92 R C -0.402 176.052 176.300 0.257 0.000 1.061 92 R CA 0.104 56.336 56.100 0.220 0.000 1.081 92 R CB 0.451 30.889 30.300 0.231 0.000 0.984 92 R HN -0.204 nan 8.270 nan 0.000 0.448 93 T N 4.167 118.832 114.554 0.184 0.000 2.793 93 T HA 0.076 4.428 4.350 0.004 0.000 0.289 93 T C 1.077 175.767 174.700 -0.016 0.000 0.956 93 T CA 0.192 62.347 62.100 0.091 0.000 1.177 93 T CB 1.270 70.201 68.868 0.106 0.000 0.897 93 T HN 0.730 nan 8.240 nan 0.000 0.533 94 A N 4.519 127.152 122.820 -0.311 0.000 1.861 94 A HA 0.330 4.653 4.320 0.004 0.000 0.212 94 A C 0.805 178.188 177.584 -0.336 0.000 1.199 94 A CA 0.578 52.165 52.037 -0.751 0.000 0.613 94 A CB 0.078 18.300 19.000 -1.297 0.000 0.846 94 A HN 0.771 nan 8.150 nan 0.000 0.446 95 I N 0.453 120.879 120.570 -0.241 0.000 2.466 95 I HA 0.345 4.517 4.170 0.004 0.000 0.289 95 I C -1.282 174.732 176.117 -0.173 0.000 1.026 95 I CA -0.404 60.800 61.300 -0.161 0.000 1.078 95 I CB 2.073 39.995 38.000 -0.131 0.000 1.249 95 I HN 0.108 nan 8.210 nan 0.000 0.429 96 I N 5.032 125.457 120.570 -0.241 0.000 2.315 96 I HA 0.172 4.345 4.170 0.004 0.000 0.291 96 I C -0.933 175.040 176.117 -0.239 0.000 1.006 96 I CA -0.304 60.746 61.300 -0.417 0.000 1.265 96 I CB 0.903 38.486 38.000 -0.695 0.000 1.387 96 I HN 0.577 nan 8.210 nan 0.000 0.475 97 W N 7.698 128.807 121.300 -0.318 0.000 2.376 97 W HA 0.419 5.082 4.660 0.004 0.000 0.312 97 W C -0.247 176.169 176.519 -0.171 0.000 1.060 97 W CA -0.647 56.573 57.345 -0.209 0.000 1.221 97 W CB 1.103 30.476 29.460 -0.145 0.000 1.281 97 W HN 0.394 nan 8.180 nan 0.000 0.456 98 E N 4.571 124.326 120.200 -0.743 0.000 2.129 98 E HA 0.542 4.894 4.350 0.004 0.000 0.268 98 E C 0.304 176.331 176.600 -0.955 0.000 0.900 98 E CA -0.606 55.423 56.400 -0.618 0.000 0.755 98 E CB 1.044 30.583 29.700 -0.269 0.000 1.117 98 E HN 0.542 nan 8.360 nan 0.000 0.410 99 G N 3.249 111.388 108.800 -1.101 0.000 2.569 99 G HA2 -0.019 3.944 3.960 0.004 0.000 0.249 99 G HA3 -0.019 3.944 3.960 0.004 0.000 0.249 99 G C 0.538 175.262 174.900 -0.293 0.000 1.216 99 G CA -0.071 44.478 45.100 -0.918 0.000 0.845 99 G HN 0.793 nan 8.290 nan 0.000 0.568 100 D N -0.466 119.798 120.400 -0.225 0.000 2.133 100 D HA -0.172 4.471 4.640 0.004 0.000 0.195 100 D C 0.717 177.123 176.300 0.177 0.000 0.997 100 D CA 1.244 55.216 54.000 -0.048 0.000 0.840 100 D CB 0.135 40.860 40.800 -0.125 0.000 0.947 100 D HN 0.318 nan 8.370 nan 0.000 0.452 101 D N -0.962 119.498 120.400 0.099 0.000 2.316 101 D HA 0.040 4.683 4.640 0.004 0.000 0.245 101 D C 0.688 177.011 176.300 0.038 0.000 1.171 101 D CA 0.153 54.223 54.000 0.116 0.000 0.856 101 D CB 1.300 42.157 40.800 0.096 0.000 1.090 101 D HN -0.063 nan 8.370 nan 0.000 0.476 102 T N 1.671 116.252 114.554 0.044 0.000 2.962 102 T HA -0.148 4.204 4.350 0.004 0.000 0.270 102 T C 1.793 176.487 174.700 -0.010 0.000 1.088 102 T CA 1.763 63.864 62.100 0.002 0.000 1.127 102 T CB -0.060 68.801 68.868 -0.012 0.000 0.883 102 T HN 0.486 nan 8.240 nan 0.000 0.493 103 S N 0.133 115.837 115.700 0.007 0.000 2.500 103 S HA 0.021 4.494 4.470 0.004 0.000 0.239 103 S C 0.822 175.443 174.600 0.034 0.000 0.989 103 S CA 0.301 58.510 58.200 0.015 0.000 0.951 103 S CB -0.300 62.912 63.200 0.020 0.000 0.759 103 S HN 0.635 nan 8.310 nan 0.000 0.523 104 Q N 1.670 121.487 119.800 0.029 0.000 2.347 104 Q HA 0.605 4.947 4.340 0.004 0.000 0.262 104 Q C -0.589 175.419 176.000 0.014 0.000 0.980 104 Q CA -0.430 55.422 55.803 0.082 0.000 0.867 104 Q CB 1.709 30.534 28.738 0.144 0.000 1.242 104 Q HN 0.577 nan 8.270 nan 0.000 0.453 105 S N 2.190 117.982 115.700 0.153 0.000 2.643 105 S HA 0.726 5.199 4.470 0.004 0.000 0.270 105 S C -1.304 173.499 174.600 0.338 0.000 1.166 105 S CA -1.014 57.296 58.200 0.184 0.000 0.815 105 S CB 2.107 65.366 63.200 0.097 0.000 1.139 105 S HN 0.454 nan 8.310 nan 0.000 0.472 106 K N 0.089 120.703 120.400 0.357 0.000 2.542 106 K HA 0.478 4.800 4.320 0.004 0.000 0.259 106 K C -2.129 174.607 176.600 0.226 0.000 0.932 106 K CA -0.599 55.865 56.287 0.294 0.000 0.820 106 K CB 1.638 34.276 32.500 0.230 0.000 1.345 106 K HN 0.735 nan 8.250 nan 0.000 0.432 107 H N 1.618 120.721 119.070 0.054 0.000 2.504 107 H HA 0.446 5.005 4.556 0.004 0.000 0.322 107 H C -0.719 174.613 175.328 0.008 0.000 1.055 107 H CA -0.335 55.726 56.048 0.022 0.000 1.231 107 H CB 0.674 30.454 29.762 0.030 0.000 1.417 107 H HN 0.285 nan 8.280 nan 0.000 0.472 108 I N 2.834 123.430 120.570 0.043 0.000 2.390 108 I HA 0.168 4.341 4.170 0.004 0.000 0.283 108 I C 0.234 176.335 176.117 -0.027 0.000 1.016 108 I CA -0.711 60.589 61.300 0.001 0.000 1.151 108 I CB 1.102 39.069 38.000 -0.055 0.000 1.293 108 I HN 0.598 nan 8.210 nan 0.000 0.458 109 S N 4.427 120.146 115.700 0.031 0.000 2.580 109 S HA 0.089 4.561 4.470 0.004 0.000 0.266 109 S C 1.050 175.668 174.600 0.031 0.000 1.354 109 S CA 0.024 58.262 58.200 0.064 0.000 1.008 109 S CB 0.509 63.774 63.200 0.109 0.000 0.898 109 S HN 0.520 nan 8.310 nan 0.000 0.555 110 Y N 0.744 121.083 120.300 0.066 0.000 2.207 110 Y HA -0.099 4.454 4.550 0.005 0.000 0.287 110 Y C 2.901 178.867 175.900 0.110 0.000 1.156 110 Y CA 1.995 60.145 58.100 0.083 0.000 1.182 110 Y CB -0.253 38.258 38.460 0.086 0.000 0.979 110 Y HN 0.680 nan 8.280 nan 0.000 0.521 111 R N 0.457 121.093 120.500 0.228 0.000 2.075 111 R HA -0.158 4.184 4.340 0.004 0.000 0.232 111 R C 1.896 178.306 176.300 0.184 0.000 1.126 111 R CA 1.733 57.942 56.100 0.181 0.000 0.963 111 R CB -0.074 30.300 30.300 0.124 0.000 0.858 111 R HN 0.408 nan 8.270 nan 0.000 0.435 112 E N 0.266 120.541 120.200 0.125 0.000 2.047 112 E HA -0.202 4.151 4.350 0.004 0.000 0.191 112 E C 1.924 178.568 176.600 0.074 0.000 0.987 112 E CA 0.981 57.434 56.400 0.087 0.000 0.799 112 E CB -0.106 29.626 29.700 0.055 0.000 0.752 112 E HN 0.149 nan 8.360 nan 0.000 0.449 113 L N 1.361 122.616 121.223 0.054 0.000 2.012 113 L HA -0.228 4.115 4.340 0.004 0.000 0.210 113 L C 2.433 179.363 176.870 0.100 0.000 1.073 113 L CA 1.941 56.800 54.840 0.032 0.000 0.748 113 L CB -0.700 41.329 42.059 -0.051 0.000 0.891 113 L HN 0.288 nan 8.230 nan 0.000 0.431 114 H N -0.112 119.004 119.070 0.076 0.000 2.319 114 H HA -0.239 4.320 4.556 0.004 0.000 0.299 114 H C 2.407 177.780 175.328 0.076 0.000 1.092 114 H CA 2.144 58.248 56.048 0.094 0.000 1.302 114 H CB 0.049 29.883 29.762 0.121 0.000 1.373 114 H HN 0.359 nan 8.280 nan 0.000 0.497 115 R N 0.202 120.734 120.500 0.053 0.000 2.073 115 R HA -0.132 4.210 4.340 0.004 0.000 0.234 115 R C 1.827 178.105 176.300 -0.035 0.000 1.134 115 R CA 2.069 58.163 56.100 -0.009 0.000 0.952 115 R CB -0.096 30.256 30.300 0.086 0.000 0.850 115 R HN 0.290 nan 8.270 nan 0.000 0.433 116 D N -0.328 120.079 120.400 0.012 0.000 2.178 116 D HA -0.096 4.546 4.640 0.004 0.000 0.202 116 D C 1.853 178.176 176.300 0.038 0.000 0.974 116 D CA 0.857 54.882 54.000 0.041 0.000 0.841 116 D CB 0.058 40.904 40.800 0.076 0.000 0.953 116 D HN 0.087 nan 8.370 nan 0.000 0.478 117 V N 0.099 120.013 119.914 0.000 0.000 2.427 117 V HA -0.232 3.891 4.120 0.004 0.000 0.248 117 V C 2.547 178.593 176.094 -0.080 0.000 1.051 117 V CA 1.077 63.376 62.300 -0.000 0.000 1.048 117 V CB -0.294 31.531 31.823 0.003 0.000 0.666 117 V HN 0.309 nan 8.190 nan 0.000 0.456 118 C N -0.304 118.893 119.300 -0.172 0.000 2.432 118 C HA -0.126 4.337 4.460 0.004 0.000 0.277 118 C C 2.890 177.812 174.990 -0.113 0.000 1.249 118 C CA 0.832 59.746 59.018 -0.174 0.000 1.725 118 C CB -1.117 26.505 27.740 -0.196 0.000 2.028 118 C HN 0.497 nan 8.230 nan 0.000 0.477 119 R N -0.476 119.984 120.500 -0.066 0.000 2.073 119 R HA -0.132 4.211 4.340 0.004 0.000 0.234 119 R C 2.091 178.343 176.300 -0.080 0.000 1.134 119 R CA 1.574 57.643 56.100 -0.052 0.000 0.952 119 R CB -0.636 29.652 30.300 -0.021 0.000 0.850 119 R HN 0.515 nan 8.270 nan 0.000 0.433 120 F N 1.310 121.126 119.950 -0.223 0.000 2.234 120 F HA -0.056 4.473 4.527 0.004 0.000 0.299 120 F C 2.261 177.913 175.800 -0.246 0.000 1.087 120 F CA 0.889 58.711 58.000 -0.296 0.000 1.340 120 F CB -0.240 38.567 39.000 -0.322 0.000 1.031 120 F HN -0.015 nan 8.300 nan 0.000 0.500 121 A N 0.226 122.908 122.820 -0.229 0.000 1.902 121 A HA -0.204 4.119 4.320 0.004 0.000 0.217 121 A C 2.156 179.533 177.584 -0.345 0.000 1.181 121 A CA 1.878 53.700 52.037 -0.359 0.000 0.623 121 A CB -0.811 17.840 19.000 -0.581 0.000 0.818 121 A HN 0.419 nan 8.150 nan 0.000 0.443 122 N N -0.240 118.310 118.700 -0.251 0.000 2.142 122 N HA -0.104 4.639 4.740 0.004 0.000 0.186 122 N C 1.779 177.163 175.510 -0.211 0.000 1.023 122 N CA 1.833 54.802 53.050 -0.136 0.000 0.852 122 N CB -0.849 37.606 38.487 -0.054 0.000 0.998 122 N HN 0.485 nan 8.380 nan 0.000 0.424 123 T N 2.523 116.887 114.554 -0.316 0.000 2.624 123 T HA -0.118 4.234 4.350 0.004 0.000 0.268 123 T C 2.163 176.589 174.700 -0.456 0.000 1.041 123 T CA 1.016 62.865 62.100 -0.418 0.000 1.159 123 T CB -0.464 68.034 68.868 -0.617 0.000 0.863 123 T HN 0.155 nan 8.240 nan 0.000 0.434 124 L N 0.204 121.080 121.223 -0.579 0.000 2.013 124 L HA -0.127 4.216 4.340 0.004 0.000 0.212 124 L C 2.582 179.315 176.870 -0.228 0.000 1.073 124 L CA 1.317 55.906 54.840 -0.418 0.000 0.753 124 L CB -0.683 41.145 42.059 -0.385 0.000 0.890 124 L HN 0.256 nan 8.230 nan 0.000 0.432 125 L N -0.600 120.514 121.223 -0.182 0.000 2.017 125 L HA -0.229 4.113 4.340 0.004 0.000 0.208 125 L C 2.221 179.037 176.870 -0.090 0.000 1.073 125 L CA 1.122 55.903 54.840 -0.097 0.000 0.745 125 L CB -0.670 41.361 42.059 -0.046 0.000 0.894 125 L HN 0.246 nan 8.230 nan 0.000 0.432 126 D N -0.087 120.246 120.400 -0.112 0.000 2.271 126 D HA -0.165 4.478 4.640 0.004 0.000 0.207 126 D C 1.815 178.051 176.300 -0.106 0.000 0.983 126 D CA 1.058 54.998 54.000 -0.100 0.000 0.878 126 D CB -0.024 40.708 40.800 -0.114 0.000 0.920 126 D HN 0.110 nan 8.370 nan 0.000 0.479 127 L N -0.690 120.452 121.223 -0.134 0.000 2.591 127 L HA 0.238 4.581 4.340 0.004 0.000 0.228 127 L C 1.598 178.442 176.870 -0.043 0.000 1.133 127 L CA 0.611 55.379 54.840 -0.120 0.000 0.880 127 L CB -0.408 41.548 42.059 -0.171 0.000 1.033 127 L HN 0.192 nan 8.230 nan 0.000 0.450 128 G N -0.688 108.086 108.800 -0.044 0.000 2.159 128 G HA2 -0.234 3.729 3.960 0.004 0.000 0.256 128 G HA3 -0.234 3.729 3.960 0.004 0.000 0.256 128 G C 0.499 175.389 174.900 -0.018 0.000 0.977 128 G CA 0.060 45.148 45.100 -0.019 0.000 0.652 128 G HN 0.161 nan 8.290 nan 0.000 0.531 129 I N 1.135 121.683 120.570 -0.036 0.000 2.588 129 I HA 0.299 4.472 4.170 0.004 0.000 0.283 129 I C 0.805 176.908 176.117 -0.023 0.000 1.119 129 I CA 0.536 61.818 61.300 -0.030 0.000 1.419 129 I CB 0.730 38.697 38.000 -0.054 0.000 1.394 129 I HN 0.152 nan 8.210 nan 0.000 0.562 130 K N 4.767 125.163 120.400 -0.006 0.000 2.395 130 K HA 0.368 4.690 4.320 0.004 0.000 0.245 130 K C -0.347 176.259 176.600 0.010 0.000 1.017 130 K CA -1.163 55.125 56.287 0.002 0.000 0.852 130 K CB 2.112 34.615 32.500 0.005 0.000 1.311 130 K HN 0.358 nan 8.250 nan 0.000 0.452 131 K N 0.370 120.779 120.400 0.015 0.000 2.511 131 K HA -0.071 4.252 4.320 0.004 0.000 0.280 131 K C 0.686 177.299 176.600 0.022 0.000 1.008 131 K CA 1.681 57.979 56.287 0.019 0.000 1.050 131 K CB -0.133 32.379 32.500 0.020 0.000 0.889 131 K HN 0.805 nan 8.250 nan 0.000 0.484 132 G N 3.175 111.991 108.800 0.026 0.000 2.268 132 G HA2 -0.223 3.740 3.960 0.004 0.000 0.240 132 G HA3 -0.223 3.740 3.960 0.004 0.000 0.240 132 G C -0.329 174.602 174.900 0.052 0.000 1.010 132 G CA 0.202 45.325 45.100 0.038 0.000 0.618 132 G HN 0.737 nan 8.290 nan 0.000 0.516 133 D N 0.747 121.171 120.400 0.039 0.000 2.423 133 D HA 0.428 5.071 4.640 0.004 0.000 0.238 133 D C 0.710 177.031 176.300 0.036 0.000 1.142 133 D CA 0.128 54.152 54.000 0.039 0.000 0.884 133 D CB 1.611 42.426 40.800 0.025 0.000 1.199 133 D HN 0.248 nan 8.370 nan 0.000 0.438 134 V N 2.236 122.165 119.914 0.025 0.000 2.439 134 V HA 0.288 4.411 4.120 0.004 0.000 0.282 134 V C 0.302 176.410 176.094 0.023 0.000 1.039 134 V CA -0.637 61.662 62.300 -0.001 0.000 0.913 134 V CB 1.719 33.485 31.823 -0.095 0.000 0.983 134 V HN 0.216 nan 8.190 nan 0.000 0.460 135 V N 4.135 124.085 119.914 0.061 0.000 2.407 135 V HA 0.651 4.774 4.120 0.004 0.000 0.291 135 V C 0.391 176.549 176.094 0.106 0.000 1.018 135 V CA -0.688 61.662 62.300 0.083 0.000 0.842 135 V CB 1.655 33.546 31.823 0.114 0.000 0.996 135 V HN 0.989 nan 8.190 nan 0.000 0.426 136 A N 6.550 129.414 122.820 0.073 0.000 2.366 136 A HA 0.774 5.097 4.320 0.004 0.000 0.272 136 A C -0.398 177.248 177.584 0.104 0.000 1.135 136 A CA -0.112 51.971 52.037 0.077 0.000 0.804 136 A CB 0.044 19.054 19.000 0.016 0.000 1.064 136 A HN 0.791 nan 8.150 nan 0.000 0.499 137 I N 2.570 123.211 120.570 0.118 0.000 2.382 137 I HA 0.203 4.375 4.170 0.004 0.000 0.286 137 I C -1.180 175.022 176.117 0.143 0.000 1.002 137 I CA -0.237 61.124 61.300 0.101 0.000 1.135 137 I CB 1.427 39.444 38.000 0.027 0.000 1.288 137 I HN 0.714 nan 8.210 nan 0.000 0.448 138 Y N 8.340 128.620 120.300 -0.034 0.000 2.863 138 Y HA 0.545 5.098 4.550 0.004 0.000 0.348 138 Y C -0.978 174.865 175.900 -0.095 0.000 1.028 138 Y CA -0.923 57.140 58.100 -0.062 0.000 1.213 138 Y CB 0.469 38.897 38.460 -0.053 0.000 1.120 138 Y HN 0.391 nan 8.280 nan 0.000 0.598 139 M N 5.542 125.018 119.600 -0.207 0.000 2.602 139 M HA 0.514 4.997 4.480 0.004 0.000 0.312 139 M C -2.497 173.612 176.300 -0.318 0.000 1.181 139 M CA -1.982 53.164 55.300 -0.255 0.000 0.910 139 M CB 2.029 34.513 32.600 -0.193 0.000 1.723 139 M HN 0.304 nan 8.290 nan 0.000 0.459 140 P HA 0.312 nan 4.420 nan 0.000 0.293 140 P C -0.483 176.714 177.300 -0.172 0.000 1.304 140 P CA -0.470 62.479 63.100 -0.251 0.000 0.767 140 P CB 0.610 32.176 31.700 -0.224 0.000 1.247 141 M N 0.913 120.452 119.600 -0.102 0.000 3.596 141 M HA 0.141 4.624 4.480 0.004 0.000 0.219 141 M C -0.099 176.276 176.300 0.124 0.000 1.471 141 M CA -0.137 55.158 55.300 -0.008 0.000 1.644 141 M CB -1.500 31.103 32.600 0.004 0.000 1.083 141 M HN 0.122 nan 8.290 nan 0.000 0.579 142 V N 0.109 119.984 119.914 -0.065 0.000 2.864 142 V HA 0.594 4.717 4.120 0.004 0.000 0.314 142 V C -2.354 173.500 176.094 -0.399 0.000 1.073 142 V CA -1.771 60.350 62.300 -0.299 0.000 0.956 142 V CB 1.718 33.279 31.823 -0.437 0.000 1.023 142 V HN 0.190 nan 8.190 nan 0.000 0.435 143 P HA -0.031 nan 4.420 nan 0.000 0.222 143 P C 1.120 178.189 177.300 -0.385 0.000 1.147 143 P CA 1.168 64.029 63.100 -0.399 0.000 0.790 143 P CB 0.256 31.701 31.700 -0.425 0.000 0.780 144 E N -0.231 119.640 120.200 -0.549 0.000 2.265 144 E HA -0.110 4.242 4.350 0.004 0.000 0.196 144 E C 2.088 178.396 176.600 -0.487 0.000 0.996 144 E CA 1.210 57.185 56.400 -0.709 0.000 0.832 144 E CB -0.939 27.939 29.700 -1.371 0.000 0.756 144 E HN 0.181 nan 8.360 nan 0.000 0.491 145 A N 0.940 123.532 122.820 -0.380 0.000 1.902 145 A HA -0.092 4.230 4.320 0.004 0.000 0.217 145 A C 2.340 179.783 177.584 -0.235 0.000 1.181 145 A CA 1.738 53.615 52.037 -0.267 0.000 0.623 145 A CB -0.696 18.163 19.000 -0.235 0.000 0.818 145 A HN 0.308 nan 8.150 nan 0.000 0.443 146 A N -0.623 122.062 122.820 -0.225 0.000 1.897 146 A HA 0.081 4.404 4.320 0.004 0.000 0.215 146 A C 2.201 179.708 177.584 -0.127 0.000 1.181 146 A CA 1.519 53.437 52.037 -0.198 0.000 0.620 146 A CB -0.884 18.011 19.000 -0.175 0.000 0.821 146 A HN 0.355 nan 8.150 nan 0.000 0.443 147 V N 0.138 119.988 119.914 -0.106 0.000 2.282 147 V HA -0.313 3.810 4.120 0.004 0.000 0.249 147 V C 3.067 179.164 176.094 0.004 0.000 1.057 147 V CA 2.138 64.424 62.300 -0.023 0.000 1.032 147 V CB -1.337 30.511 31.823 0.041 0.000 0.645 147 V HN 0.618 nan 8.190 nan 0.000 0.447 148 A N -0.513 122.276 122.820 -0.052 0.000 1.858 148 A HA -0.257 4.066 4.320 0.004 0.000 0.216 148 A C 2.243 179.873 177.584 0.077 0.000 1.190 148 A CA 2.405 54.464 52.037 0.035 0.000 0.617 148 A CB -0.517 18.498 19.000 0.026 0.000 0.827 148 A HN 0.502 nan 8.150 nan 0.000 0.443 149 M N -0.735 118.808 119.600 -0.096 0.000 2.065 149 M HA -0.145 4.337 4.480 0.004 0.000 0.259 149 M C 2.142 178.518 176.300 0.127 0.000 1.069 149 M CA 1.595 56.781 55.300 -0.190 0.000 1.110 149 M CB -0.588 31.707 32.600 -0.509 0.000 1.328 149 M HN 0.342 nan 8.290 nan 0.000 0.405 150 L N -0.293 121.002 121.223 0.121 0.000 2.141 150 L HA -0.129 4.213 4.340 0.004 0.000 0.209 150 L C 2.763 179.714 176.870 0.135 0.000 1.094 150 L CA 0.985 55.934 54.840 0.183 0.000 0.763 150 L CB -0.748 41.397 42.059 0.144 0.000 0.908 150 L HN 0.304 nan 8.230 nan 0.000 0.437 151 A N -1.306 121.594 122.820 0.134 0.000 1.968 151 A HA -0.168 4.154 4.320 0.004 0.000 0.217 151 A C 2.386 180.018 177.584 0.079 0.000 1.169 151 A CA 1.339 53.436 52.037 0.100 0.000 0.638 151 A CB -0.994 18.140 19.000 0.225 0.000 0.812 151 A HN 0.490 nan 8.150 nan 0.000 0.446 152 C N -0.997 118.395 119.300 0.154 0.000 2.432 152 C HA 0.030 4.493 4.460 0.004 0.000 0.277 152 C C 3.325 178.388 174.990 0.123 0.000 1.249 152 C CA 0.957 60.067 59.018 0.152 0.000 1.725 152 C CB -1.207 26.689 27.740 0.261 0.000 2.028 152 C HN 0.701 nan 8.230 nan 0.000 0.477 153 A N 0.194 123.111 122.820 0.161 0.000 1.933 153 A HA -0.218 4.104 4.320 0.004 0.000 0.218 153 A C 2.230 179.839 177.584 0.041 0.000 1.175 153 A CA 1.798 53.888 52.037 0.087 0.000 0.628 153 A CB -0.653 18.390 19.000 0.071 0.000 0.814 153 A HN 0.665 nan 8.150 nan 0.000 0.444 154 R N 0.296 120.822 120.500 0.043 0.000 2.105 154 R HA -0.113 4.230 4.340 0.004 0.000 0.239 154 R C 1.777 178.101 176.300 0.040 0.000 1.135 154 R CA 1.922 58.039 56.100 0.028 0.000 0.967 154 R CB -0.414 29.876 30.300 -0.016 0.000 0.861 154 R HN 0.720 nan 8.270 nan 0.000 0.442 155 I N -3.412 117.166 120.570 0.013 0.000 3.875 155 I HA 0.387 4.559 4.170 0.004 0.000 0.329 155 I C 0.729 176.865 176.117 0.032 0.000 1.295 155 I CA 0.511 61.830 61.300 0.031 0.000 1.129 155 I CB 0.625 38.619 38.000 -0.011 0.000 1.008 155 I HN 0.276 nan 8.210 nan 0.000 0.413 156 G N 1.673 110.490 108.800 0.029 0.000 2.153 156 G HA2 -0.261 3.702 3.960 0.004 0.000 0.252 156 G HA3 -0.261 3.702 3.960 0.004 0.000 0.252 156 G C 0.421 175.334 174.900 0.022 0.000 0.994 156 G CA 0.130 45.242 45.100 0.021 0.000 0.698 156 G HN 0.953 nan 8.290 nan 0.000 0.521 157 A N -0.727 122.112 122.820 0.031 0.000 2.386 157 A HA 0.673 4.996 4.320 0.004 0.000 0.248 157 A C 0.506 178.115 177.584 0.042 0.000 1.082 157 A CA 0.300 52.361 52.037 0.039 0.000 0.789 157 A CB 1.077 20.104 19.000 0.045 0.000 1.025 157 A HN 1.144 nan 8.150 nan 0.000 0.490 158 V N 3.978 123.912 119.914 0.033 0.000 2.294 158 V HA 0.252 4.375 4.120 0.004 0.000 0.272 158 V C -0.010 176.107 176.094 0.039 0.000 1.027 158 V CA -0.509 61.788 62.300 -0.004 0.000 0.823 158 V CB 0.012 31.830 31.823 -0.007 0.000 1.030 158 V HN 1.035 nan 8.190 nan 0.000 0.457 159 H N 1.945 121.095 119.070 0.134 0.000 2.629 159 H HA 0.623 5.182 4.556 0.004 0.000 0.357 159 H C 0.026 175.454 175.328 0.167 0.000 1.121 159 H CA -0.571 55.554 56.048 0.128 0.000 1.406 159 H CB 1.134 30.963 29.762 0.111 0.000 1.456 159 H HN 0.477 nan 8.280 nan 0.000 0.579 160 S N 2.975 118.870 115.700 0.325 0.000 2.653 160 S HA 0.342 4.814 4.470 0.004 0.000 0.272 160 S C -1.107 173.667 174.600 0.290 0.000 1.221 160 S CA -0.848 57.535 58.200 0.305 0.000 1.149 160 S CB -0.315 63.005 63.200 0.199 0.000 1.029 160 S HN 0.561 nan 8.310 nan 0.000 0.481 161 V N 6.638 126.761 119.914 0.348 0.000 2.488 161 V HA 0.396 4.519 4.120 0.004 0.000 0.277 161 V C 0.081 176.315 176.094 0.233 0.000 1.046 161 V CA -0.179 62.258 62.300 0.227 0.000 0.986 161 V CB 0.830 32.769 31.823 0.192 0.000 0.989 161 V HN 0.762 nan 8.190 nan 0.000 0.475 162 I N 5.691 126.385 120.570 0.207 0.000 2.354 162 I HA 0.289 4.462 4.170 0.004 0.000 0.286 162 I C -0.045 176.254 176.117 0.303 0.000 1.007 162 I CA -0.573 60.891 61.300 0.274 0.000 1.167 162 I CB 1.066 39.183 38.000 0.195 0.000 1.320 162 I HN 0.548 nan 8.210 nan 0.000 0.458 163 F N 5.669 125.615 119.950 -0.006 0.000 2.579 163 F HA 0.016 4.546 4.527 0.004 0.000 0.397 163 F C 1.520 177.257 175.800 -0.105 0.000 1.027 163 F CA 0.186 57.961 58.000 -0.375 0.000 1.217 163 F CB 0.818 39.162 39.000 -1.093 0.000 0.986 163 F HN 0.627 nan 8.300 nan 0.000 0.551 164 G N 4.138 112.406 108.800 -0.886 0.000 2.501 164 G HA2 -0.157 3.805 3.960 0.004 0.000 0.220 164 G HA3 -0.157 3.805 3.960 0.004 0.000 0.220 164 G C 1.462 175.855 174.900 -0.844 0.000 1.114 164 G CA 0.528 45.078 45.100 -0.916 0.000 0.757 164 G HN 1.026 nan 8.290 nan 0.000 0.559 165 G N -0.422 107.481 108.800 -1.495 0.000 2.880 165 G HA2 0.250 4.212 3.960 0.004 0.000 0.209 165 G HA3 0.250 4.212 3.960 0.004 0.000 0.209 165 G C 0.180 174.930 174.900 -0.250 0.000 1.157 165 G CA -0.614 43.992 45.100 -0.824 0.000 0.779 165 G HN 0.198 nan 8.290 nan 0.000 0.539 166 F N 2.151 122.118 119.950 0.029 0.000 2.506 166 F HA 0.314 4.844 4.527 0.004 0.000 0.351 166 F C 1.457 177.292 175.800 0.058 0.000 1.136 166 F CA -1.061 57.007 58.000 0.113 0.000 1.298 166 F CB 0.978 40.046 39.000 0.114 0.000 1.145 166 F HN 0.023 nan 8.300 nan 0.000 0.593 167 S N 2.842 118.687 115.700 0.241 0.000 2.614 167 S HA 0.273 4.745 4.470 0.004 0.000 0.265 167 S C -1.923 172.667 174.600 -0.016 0.000 1.303 167 S CA -1.092 57.157 58.200 0.082 0.000 1.000 167 S CB 1.142 64.359 63.200 0.028 0.000 0.935 167 S HN 0.363 nan 8.310 nan 0.000 0.551 168 P HA -0.191 nan 4.420 nan 0.000 0.218 168 P C 1.418 178.627 177.300 -0.151 0.000 1.154 168 P CA 1.748 64.773 63.100 -0.124 0.000 0.872 168 P CB 0.039 31.685 31.700 -0.091 0.000 0.790 169 E N -0.428 119.693 120.200 -0.131 0.000 2.072 169 E HA -0.108 4.244 4.350 0.004 0.000 0.190 169 E C 1.963 178.461 176.600 -0.170 0.000 0.982 169 E CA 1.405 57.717 56.400 -0.147 0.000 0.803 169 E CB -1.097 28.510 29.700 -0.155 0.000 0.755 169 E HN 0.068 nan 8.360 nan 0.000 0.453 170 A N 0.099 122.824 122.820 -0.157 0.000 1.933 170 A HA -0.119 4.203 4.320 0.004 0.000 0.218 170 A C 2.456 179.820 177.584 -0.366 0.000 1.175 170 A CA 1.588 53.468 52.037 -0.262 0.000 0.628 170 A CB -0.701 18.181 19.000 -0.196 0.000 0.814 170 A HN 0.204 nan 8.150 nan 0.000 0.444 171 V N -0.196 119.532 119.914 -0.309 0.000 2.270 171 V HA -0.223 3.900 4.120 0.004 0.000 0.245 171 V C 3.081 178.981 176.094 -0.323 0.000 1.043 171 V CA 1.886 63.956 62.300 -0.383 0.000 1.014 171 V CB -1.318 30.183 31.823 -0.537 0.000 0.645 171 V HN 0.613 nan 8.190 nan 0.000 0.447 172 A N 0.649 123.313 122.820 -0.259 0.000 1.873 172 A HA -0.189 4.133 4.320 0.004 0.000 0.218 172 A C 2.458 179.914 177.584 -0.214 0.000 1.193 172 A CA 2.298 54.211 52.037 -0.207 0.000 0.629 172 A CB -1.506 17.397 19.000 -0.162 0.000 0.826 172 A HN 0.554 nan 8.150 nan 0.000 0.447 173 G N -0.631 108.030 108.800 -0.231 0.000 2.513 173 G HA2 -0.319 3.643 3.960 0.004 0.000 0.219 173 G HA3 -0.319 3.643 3.960 0.004 0.000 0.219 173 G C 1.782 176.479 174.900 -0.339 0.000 1.160 173 G CA 1.256 46.211 45.100 -0.242 0.000 0.767 173 G HN 0.603 nan 8.290 nan 0.000 0.571 174 R N -0.302 119.912 120.500 -0.476 0.000 2.092 174 R HA 0.154 4.496 4.340 0.004 0.000 0.231 174 R C 2.641 178.692 176.300 -0.416 0.000 1.119 174 R CA 0.863 56.527 56.100 -0.726 0.000 0.970 174 R CB -0.303 29.561 30.300 -0.726 0.000 0.864 174 R HN 0.398 nan 8.270 nan 0.000 0.440 175 I N 0.405 120.812 120.570 -0.272 0.000 2.315 175 I HA -0.261 3.912 4.170 0.004 0.000 0.248 175 I C 2.053 178.101 176.117 -0.114 0.000 1.117 175 I CA 1.311 62.512 61.300 -0.165 0.000 1.404 175 I CB -0.132 37.777 38.000 -0.152 0.000 1.071 175 I HN 0.124 nan 8.210 nan 0.000 0.419 176 I N 0.596 121.094 120.570 -0.120 0.000 2.252 176 I HA -0.301 3.872 4.170 0.004 0.000 0.245 176 I C 2.173 178.287 176.117 -0.005 0.000 1.102 176 I CA 1.703 62.967 61.300 -0.061 0.000 1.385 176 I CB -0.347 37.613 38.000 -0.066 0.000 1.064 176 I HN 0.224 nan 8.210 nan 0.000 0.414 177 D N 0.310 120.700 120.400 -0.017 0.000 2.144 177 D HA -0.178 4.464 4.640 0.004 0.000 0.200 177 D C 2.120 178.571 176.300 0.252 0.000 0.978 177 D CA 1.482 55.558 54.000 0.127 0.000 0.833 177 D CB 0.149 41.043 40.800 0.156 0.000 0.961 177 D HN 0.305 nan 8.370 nan 0.000 0.470 178 S N -1.585 114.171 115.700 0.094 0.000 2.548 178 S HA 0.112 4.585 4.470 0.004 0.000 0.215 178 S C 0.797 175.393 174.600 -0.008 0.000 0.976 178 S CA 0.203 58.337 58.200 -0.111 0.000 0.908 178 S CB 0.118 63.200 63.200 -0.197 0.000 0.781 178 S HN 0.071 nan 8.310 nan 0.000 0.519 179 S N 1.537 117.273 115.700 0.060 0.000 3.549 179 S HA -0.147 4.326 4.470 0.004 0.000 0.366 179 S C 0.207 174.812 174.600 0.007 0.000 1.012 179 S CA 0.559 58.787 58.200 0.047 0.000 1.141 179 S CB -2.265 60.996 63.200 0.101 0.000 0.910 179 S HN 0.731 nan 8.310 nan 0.000 0.471 180 S N 1.167 116.850 115.700 -0.028 0.000 2.563 180 S HA 0.066 4.538 4.470 0.004 0.000 0.294 180 S C 1.426 176.014 174.600 -0.020 0.000 1.279 180 S CA -0.384 57.801 58.200 -0.026 0.000 1.069 180 S CB 0.494 63.673 63.200 -0.036 0.000 0.828 180 S HN 0.375 nan 8.310 nan 0.000 0.497 181 R N 0.519 121.015 120.500 -0.007 0.000 2.254 181 R HA 0.320 4.663 4.340 0.004 0.000 0.195 181 R C -0.201 176.093 176.300 -0.010 0.000 0.957 181 R CA 0.189 56.283 56.100 -0.010 0.000 1.024 181 R CB -0.457 29.845 30.300 0.003 0.000 0.952 181 R HN 0.530 nan 8.270 nan 0.000 0.484 182 L N -0.705 120.520 121.223 0.004 0.000 2.545 182 L HA 0.411 4.754 4.340 0.004 0.000 0.258 182 L C -1.648 175.239 176.870 0.028 0.000 0.942 182 L CA -0.766 54.089 54.840 0.024 0.000 0.855 182 L CB 2.464 44.549 42.059 0.044 0.000 1.374 182 L HN -0.289 nan 8.230 nan 0.000 0.411 183 V N 5.350 125.281 119.914 0.028 0.000 2.487 183 V HA 0.552 4.675 4.120 0.004 0.000 0.298 183 V C -0.246 175.898 176.094 0.084 0.000 1.028 183 V CA -0.373 61.950 62.300 0.038 0.000 0.860 183 V CB 1.675 33.492 31.823 -0.009 0.000 0.991 183 V HN 0.600 nan 8.190 nan 0.000 0.427 184 I N 4.156 124.802 120.570 0.126 0.000 2.355 184 I HA 0.614 4.786 4.170 0.004 0.000 0.288 184 I C 0.155 176.351 176.117 0.132 0.000 0.999 184 I CA 0.154 61.557 61.300 0.172 0.000 1.163 184 I CB 1.821 39.964 38.000 0.238 0.000 1.316 184 I HN 0.693 nan 8.210 nan 0.000 0.454 185 T N 4.152 118.774 114.554 0.114 0.000 2.681 185 T HA 0.840 5.193 4.350 0.004 0.000 0.296 185 T C -1.541 173.173 174.700 0.023 0.000 1.157 185 T CA -0.446 61.690 62.100 0.059 0.000 1.025 185 T CB 1.868 70.811 68.868 0.124 0.000 1.441 185 T HN 0.624 nan 8.240 nan 0.000 0.504 186 A N 0.697 123.498 122.820 -0.032 0.000 2.384 186 A HA 0.642 4.965 4.320 0.004 0.000 0.312 186 A C 0.863 178.467 177.584 0.034 0.000 1.113 186 A CA -0.034 51.993 52.037 -0.016 0.000 0.779 186 A CB 1.124 20.056 19.000 -0.113 0.000 1.307 186 A HN 0.927 nan 8.150 nan 0.000 0.436 187 D N 0.460 120.931 120.400 0.119 0.000 2.133 187 D HA -0.145 4.497 4.640 0.004 0.000 0.192 187 D C 0.242 176.568 176.300 0.044 0.000 1.001 187 D CA 2.017 56.100 54.000 0.138 0.000 0.844 187 D CB -0.024 40.913 40.800 0.228 0.000 0.944 187 D HN 0.655 nan 8.370 nan 0.000 0.447 188 E N -1.595 118.601 120.200 -0.007 0.000 2.372 188 E HA 0.589 4.941 4.350 0.004 0.000 0.279 188 E C -0.606 175.931 176.600 -0.105 0.000 0.946 188 E CA -0.735 55.631 56.400 -0.057 0.000 0.769 188 E CB 2.324 32.001 29.700 -0.040 0.000 1.230 188 E HN 0.210 nan 8.360 nan 0.000 0.442 189 G N 0.393 109.101 108.800 -0.153 0.000 2.476 189 G HA2 0.501 4.463 3.960 0.004 0.000 0.286 189 G HA3 0.501 4.463 3.960 0.004 0.000 0.286 189 G C -0.751 174.062 174.900 -0.146 0.000 1.177 189 G CA -0.307 44.689 45.100 -0.173 0.000 0.870 189 G HN 0.219 nan 8.290 nan 0.000 0.528 190 V N 0.996 120.827 119.914 -0.140 0.000 2.483 190 V HA 0.668 4.791 4.120 0.004 0.000 0.297 190 V C 0.046 176.017 176.094 -0.206 0.000 1.027 190 V CA -0.750 61.461 62.300 -0.148 0.000 0.855 190 V CB 1.472 33.239 31.823 -0.093 0.000 0.995 190 V HN 0.848 nan 8.190 nan 0.000 0.424 191 R N 4.031 124.371 120.500 -0.267 0.000 2.515 191 R HA 0.615 4.957 4.340 0.004 0.000 0.278 191 R C 0.092 176.090 176.300 -0.503 0.000 1.107 191 R CA 0.140 56.044 56.100 -0.328 0.000 0.945 191 R CB 1.680 31.830 30.300 -0.251 0.000 1.219 191 R HN 1.305 nan 8.270 nan 0.000 0.434 192 A N 2.748 125.106 122.820 -0.770 0.000 2.640 192 A HA -0.157 4.166 4.320 0.004 0.000 0.300 192 A C 1.090 177.638 177.584 -1.726 0.000 1.499 192 A CA 1.588 52.618 52.037 -1.679 0.000 0.759 192 A CB -2.137 16.212 19.000 -1.084 0.000 1.048 192 A HN 2.004 nan 8.150 nan 0.000 0.450 193 G N -2.058 105.935 108.800 -1.345 0.000 2.166 193 G HA2 -0.289 3.674 3.960 0.004 0.000 0.260 193 G HA3 -0.289 3.674 3.960 0.004 0.000 0.260 193 G C 0.182 174.920 174.900 -0.270 0.000 0.986 193 G CA 1.349 46.142 45.100 -0.511 0.000 0.683 193 G HN 1.268 nan 8.290 nan 0.000 0.527 194 R N -0.361 119.944 120.500 -0.325 0.000 2.740 194 R HA 0.636 4.979 4.340 0.004 0.000 0.282 194 R C -0.188 176.012 176.300 -0.167 0.000 0.969 194 R CA -0.439 55.541 56.100 -0.199 0.000 0.918 194 R CB 1.460 31.638 30.300 -0.203 0.000 1.175 194 R HN 0.138 nan 8.270 nan 0.000 0.464 195 S N 2.256 117.888 115.700 -0.114 0.000 2.562 195 S HA 0.412 4.885 4.470 0.004 0.000 0.275 195 S C -0.288 174.246 174.600 -0.109 0.000 1.281 195 S CA -0.460 57.680 58.200 -0.101 0.000 1.045 195 S CB 0.596 63.757 63.200 -0.065 0.000 0.962 195 S HN 0.268 nan 8.310 nan 0.000 0.503 196 I N 4.983 125.477 120.570 -0.126 0.000 2.354 196 I HA 0.327 4.500 4.170 0.004 0.000 0.292 196 I C -2.196 173.856 176.117 -0.108 0.000 0.989 196 I CA -3.130 58.088 61.300 -0.136 0.000 1.188 196 I CB 1.152 39.029 38.000 -0.204 0.000 1.342 196 I HN 0.315 nan 8.210 nan 0.000 0.457 197 P HA 0.250 nan 4.420 nan 0.000 0.225 197 P C 0.946 178.238 177.300 -0.013 0.000 1.813 197 P CA -0.166 62.916 63.100 -0.031 0.000 1.013 197 P CB 0.250 31.945 31.700 -0.009 0.000 1.961 198 L N 0.813 121.998 121.223 -0.062 0.000 1.994 198 L HA -0.218 4.124 4.340 0.004 0.000 0.208 198 L C 2.543 179.481 176.870 0.114 0.000 1.071 198 L CA 1.773 56.585 54.840 -0.046 0.000 0.745 198 L CB -0.771 41.117 42.059 -0.285 0.000 0.892 198 L HN 0.171 nan 8.230 nan 0.000 0.431 199 K N 1.001 121.437 120.400 0.061 0.000 2.057 199 K HA -0.222 4.101 4.320 0.004 0.000 0.207 199 K C 2.088 178.718 176.600 0.050 0.000 1.049 199 K CA 1.631 57.957 56.287 0.065 0.000 0.931 199 K CB -0.234 32.305 32.500 0.064 0.000 0.714 199 K HN 0.066 nan 8.250 nan 0.000 0.440 200 K N 0.114 120.543 120.400 0.048 0.000 2.057 200 K HA -0.151 4.171 4.320 0.004 0.000 0.207 200 K C 1.579 178.194 176.600 0.025 0.000 1.049 200 K CA 1.658 57.964 56.287 0.031 0.000 0.931 200 K CB -0.204 32.314 32.500 0.029 0.000 0.714 200 K HN 0.166 nan 8.250 nan 0.000 0.440 201 N N 0.710 119.445 118.700 0.059 0.000 2.137 201 N HA -0.158 4.585 4.740 0.004 0.000 0.190 201 N C 1.766 177.267 175.510 -0.015 0.000 1.017 201 N CA 1.197 54.280 53.050 0.055 0.000 0.859 201 N CB -0.426 38.173 38.487 0.187 0.000 1.002 201 N HN 0.017 nan 8.380 nan 0.000 0.428 202 V N 1.433 121.358 119.914 0.019 0.000 2.358 202 V HA -0.191 3.931 4.120 0.004 0.000 0.246 202 V C 1.651 177.697 176.094 -0.080 0.000 1.047 202 V CA 1.593 63.855 62.300 -0.063 0.000 1.035 202 V CB -0.480 31.339 31.823 -0.007 0.000 0.658 202 V HN 0.197 nan 8.190 nan 0.000 0.452 203 D N 0.226 120.593 120.400 -0.055 0.000 2.104 203 D HA -0.172 4.471 4.640 0.004 0.000 0.194 203 D C 1.923 178.184 176.300 -0.065 0.000 0.994 203 D CA 1.578 55.539 54.000 -0.065 0.000 0.830 203 D CB -0.352 40.423 40.800 -0.042 0.000 0.959 203 D HN 0.424 nan 8.370 nan 0.000 0.452 204 D N 0.283 120.649 120.400 -0.056 0.000 2.117 204 D HA -0.068 4.574 4.640 0.004 0.000 0.198 204 D C 2.032 178.282 176.300 -0.083 0.000 0.982 204 D CA 1.257 55.221 54.000 -0.060 0.000 0.828 204 D CB -0.399 40.372 40.800 -0.048 0.000 0.967 204 D HN 0.143 nan 8.370 nan 0.000 0.464 205 A N 0.868 123.624 122.820 -0.108 0.000 1.883 205 A HA -0.125 4.197 4.320 0.004 0.000 0.217 205 A C 2.285 179.797 177.584 -0.121 0.000 1.186 205 A CA 0.978 52.933 52.037 -0.136 0.000 0.624 205 A CB -0.832 18.050 19.000 -0.196 0.000 0.822 205 A HN 0.237 nan 8.150 nan 0.000 0.444 206 L N -1.225 119.930 121.223 -0.113 0.000 2.465 206 L HA -0.073 4.269 4.340 0.004 0.000 0.224 206 L C 2.133 178.951 176.870 -0.087 0.000 1.145 206 L CA 0.877 55.655 54.840 -0.104 0.000 0.834 206 L CB -0.304 41.689 42.059 -0.110 0.000 0.944 206 L HN 0.359 nan 8.230 nan 0.000 0.451 207 K N -0.297 120.056 120.400 -0.078 0.000 2.366 207 K HA -0.033 4.290 4.320 0.004 0.000 0.198 207 K C 0.896 177.461 176.600 -0.059 0.000 1.044 207 K CA -0.146 56.103 56.287 -0.063 0.000 0.973 207 K CB -0.014 32.455 32.500 -0.053 0.000 0.767 207 K HN 0.144 nan 8.250 nan 0.000 0.475 208 N N 2.348 121.007 118.700 -0.068 0.000 2.411 208 N HA -0.051 4.692 4.740 0.004 0.000 0.265 208 N C -1.803 173.672 175.510 -0.057 0.000 1.266 208 N CA -0.861 52.151 53.050 -0.064 0.000 0.889 208 N CB 1.029 39.469 38.487 -0.078 0.000 1.069 208 N HN -0.002 nan 8.380 nan 0.000 0.476 209 P HA -0.048 nan 4.420 nan 0.000 0.234 209 P C 0.227 177.504 177.300 -0.039 0.000 1.167 209 P CA 0.744 63.820 63.100 -0.039 0.000 0.763 209 P CB 0.436 32.118 31.700 -0.030 0.000 0.835 210 N N -0.294 118.381 118.700 -0.042 0.000 2.412 210 N HA 0.028 4.771 4.740 0.004 0.000 0.184 210 N C 0.208 175.690 175.510 -0.046 0.000 1.101 210 N CA 0.250 53.276 53.050 -0.039 0.000 0.881 210 N CB 0.383 38.849 38.487 -0.036 0.000 0.969 210 N HN 0.069 nan 8.380 nan 0.000 0.459 211 V N 1.980 121.859 119.914 -0.058 0.000 2.405 211 V HA 0.098 4.221 4.120 0.004 0.000 0.264 211 V C 1.273 177.331 176.094 -0.060 0.000 1.048 211 V CA 0.334 62.594 62.300 -0.066 0.000 0.966 211 V CB 0.935 32.707 31.823 -0.084 0.000 1.015 211 V HN 0.296 nan 8.190 nan 0.000 0.477 212 T N -1.056 113.467 114.554 -0.051 0.000 2.986 212 T HA -0.000 4.352 4.350 0.004 0.000 0.264 212 T C 1.433 176.103 174.700 -0.050 0.000 0.964 212 T CA 0.515 62.586 62.100 -0.048 0.000 0.895 212 T CB 0.273 69.121 68.868 -0.034 0.000 1.163 212 T HN 0.623 nan 8.240 nan 0.000 0.517 213 S N 0.767 116.439 115.700 -0.048 0.000 2.524 213 S HA 0.311 4.783 4.470 0.004 0.000 0.216 213 S C 0.506 175.072 174.600 -0.057 0.000 0.987 213 S CA -0.322 57.854 58.200 -0.040 0.000 0.909 213 S CB -0.296 62.891 63.200 -0.021 0.000 0.781 213 S HN 0.308 nan 8.310 nan 0.000 0.521 214 V N 2.577 122.446 119.914 -0.075 0.000 2.432 214 V HA 0.326 4.448 4.120 0.004 0.000 0.271 214 V C 0.737 176.749 176.094 -0.138 0.000 1.046 214 V CA -0.167 62.078 62.300 -0.091 0.000 0.945 214 V CB 1.057 32.824 31.823 -0.093 0.000 0.992 214 V HN 0.385 nan 8.190 nan 0.000 0.471 215 E N 2.244 122.343 120.200 -0.169 0.000 2.206 215 E HA 0.167 4.520 4.350 0.004 0.000 0.195 215 E C 0.108 176.362 176.600 -0.576 0.000 0.935 215 E CA 0.359 56.554 56.400 -0.341 0.000 0.875 215 E CB 0.427 29.947 29.700 -0.300 0.000 0.841 215 E HN 0.719 nan 8.360 nan 0.000 0.477 216 H N -0.790 118.227 119.070 -0.089 0.000 2.865 216 H HA 0.448 5.007 4.556 0.004 0.000 0.372 216 H C -1.060 174.198 175.328 -0.115 0.000 1.173 216 H CA -0.748 55.233 56.048 -0.113 0.000 1.147 216 H CB 1.971 31.675 29.762 -0.097 0.000 1.805 216 H HN -0.178 nan 8.280 nan 0.000 0.553 217 V N 3.318 123.220 119.914 -0.020 0.000 2.444 217 V HA 0.292 4.415 4.120 0.004 0.000 0.294 217 V C 0.331 176.381 176.094 -0.073 0.000 1.022 217 V CA -0.573 61.685 62.300 -0.071 0.000 0.850 217 V CB 1.552 33.276 31.823 -0.165 0.000 0.992 217 V HN 0.485 nan 8.190 nan 0.000 0.426 218 I N 4.913 125.506 120.570 0.038 0.000 2.365 218 I HA 0.473 4.646 4.170 0.004 0.000 0.291 218 I C -0.590 175.630 176.117 0.171 0.000 1.004 218 I CA -0.587 60.789 61.300 0.126 0.000 1.311 218 I CB 1.781 39.926 38.000 0.242 0.000 1.401 218 I HN 0.286 nan 8.210 nan 0.000 0.491 219 V N 7.119 127.165 119.914 0.220 0.000 2.443 219 V HA 0.251 4.374 4.120 0.004 0.000 0.293 219 V C -0.294 176.085 176.094 0.476 0.000 1.021 219 V CA -0.674 61.767 62.300 0.235 0.000 0.848 219 V CB 1.789 33.636 31.823 0.039 0.000 0.998 219 V HN 0.437 nan 8.190 nan 0.000 0.424 220 L N 4.860 126.267 121.223 0.307 0.000 2.315 220 L HA 0.367 4.709 4.340 0.004 0.000 0.283 220 L C 0.714 177.715 176.870 0.219 0.000 1.089 220 L CA 0.252 55.192 54.840 0.167 0.000 0.833 220 L CB 0.543 42.445 42.059 -0.261 0.000 1.170 220 L HN 0.646 nan 8.230 nan 0.000 0.442 221 K N 4.078 124.622 120.400 0.239 0.000 2.054 221 K HA -0.023 4.299 4.320 0.004 0.000 0.242 221 K C 1.048 177.608 176.600 -0.066 0.000 1.157 221 K CA -0.065 56.256 56.287 0.056 0.000 1.079 221 K CB 0.090 32.417 32.500 -0.288 0.000 1.331 221 K HN 0.656 nan 8.250 nan 0.000 0.317 222 R N 1.218 121.687 120.500 -0.051 0.000 2.066 222 R HA -0.054 4.288 4.340 0.004 0.000 0.224 222 R C 1.749 178.007 176.300 -0.070 0.000 1.122 222 R CA 2.344 58.382 56.100 -0.104 0.000 0.974 222 R CB -0.192 30.037 30.300 -0.117 0.000 0.871 222 R HN 0.570 nan 8.270 nan 0.000 0.435 223 T N -4.660 109.870 114.554 -0.041 0.000 2.990 223 T HA 0.269 4.621 4.350 0.004 0.000 0.249 223 T C 1.322 175.999 174.700 -0.038 0.000 1.039 223 T CA 0.362 62.442 62.100 -0.033 0.000 1.036 223 T CB 0.396 69.251 68.868 -0.023 0.000 0.994 223 T HN 0.384 nan 8.240 nan 0.000 0.489 224 G N 1.440 110.215 108.800 -0.042 0.000 2.148 224 G HA2 -0.265 3.697 3.960 0.004 0.000 0.254 224 G HA3 -0.265 3.697 3.960 0.004 0.000 0.254 224 G C 0.211 175.097 174.900 -0.023 0.000 0.981 224 G CA 0.218 45.277 45.100 -0.070 0.000 0.670 224 G HN 0.764 nan 8.290 nan 0.000 0.528 225 S N 0.640 116.349 115.700 0.014 0.000 2.576 225 S HA 0.336 4.808 4.470 0.004 0.000 0.272 225 S C 0.304 174.939 174.600 0.060 0.000 1.352 225 S CA -0.220 57.997 58.200 0.029 0.000 1.021 225 S CB 0.625 63.844 63.200 0.032 0.000 0.887 225 S HN 0.340 nan 8.310 nan 0.000 0.542 226 D N 1.820 122.249 120.400 0.048 0.000 2.417 226 D HA 0.358 5.000 4.640 0.004 0.000 0.250 226 D C 0.240 176.596 176.300 0.093 0.000 1.166 226 D CA 0.204 54.243 54.000 0.064 0.000 0.881 226 D CB 0.029 40.854 40.800 0.041 0.000 1.164 226 D HN 0.454 nan 8.370 nan 0.000 0.467 227 I N -1.812 118.840 120.570 0.137 0.000 3.074 227 I HA 0.489 4.662 4.170 0.004 0.000 0.310 227 I C -0.500 175.722 176.117 0.176 0.000 1.153 227 I CA -1.142 60.251 61.300 0.156 0.000 0.993 227 I CB 2.269 40.393 38.000 0.207 0.000 1.237 227 I HN -0.101 nan 8.210 nan 0.000 0.443 228 D N 2.022 122.514 120.400 0.153 0.000 2.357 228 D HA 0.184 4.827 4.640 0.004 0.000 0.242 228 D C -1.354 175.110 176.300 0.274 0.000 1.153 228 D CA 0.393 54.492 54.000 0.165 0.000 0.918 228 D CB 1.484 42.337 40.800 0.088 0.000 1.181 228 D HN 0.556 nan 8.370 nan 0.000 0.435 229 W N 1.066 122.346 121.300 -0.033 0.000 3.097 229 W HA 0.163 4.825 4.660 0.004 0.000 0.335 229 W C -1.088 175.399 176.519 -0.053 0.000 1.114 229 W CA -0.596 56.707 57.345 -0.070 0.000 1.231 229 W CB 1.745 31.177 29.460 -0.047 0.000 1.388 229 W HN 0.263 nan 8.180 nan 0.000 0.485 230 Q N 4.079 123.659 119.800 -0.367 0.000 2.431 230 Q HA 0.120 4.463 4.340 0.004 0.000 0.249 230 Q C -0.212 175.605 176.000 -0.305 0.000 1.025 230 Q CA -0.361 55.292 55.803 -0.250 0.000 0.835 230 Q CB 1.013 29.610 28.738 -0.234 0.000 1.207 230 Q HN 0.324 nan 8.270 nan 0.000 0.490 231 E N 1.938 122.100 120.200 -0.064 0.000 2.708 231 E HA 0.014 4.367 4.350 0.004 0.000 0.260 231 E C 1.027 177.609 176.600 -0.028 0.000 0.937 231 E CA 2.074 58.494 56.400 0.033 0.000 0.953 231 E CB 0.307 30.068 29.700 0.101 0.000 0.915 231 E HN 0.851 nan 8.360 nan 0.000 0.487 232 G N 4.176 112.980 108.800 0.006 0.000 2.900 232 G HA2 -0.463 3.500 3.960 0.004 0.000 0.223 232 G HA3 -0.463 3.500 3.960 0.004 0.000 0.223 232 G C 1.379 176.298 174.900 0.031 0.000 1.293 232 G CA 0.600 45.715 45.100 0.025 0.000 0.792 232 G HN 0.574 nan 8.290 nan 0.000 0.527 233 R N 1.265 121.709 120.500 -0.094 0.000 2.062 233 R HA 0.025 4.368 4.340 0.004 0.000 0.229 233 R C -0.139 176.058 176.300 -0.171 0.000 1.128 233 R CA 1.512 57.538 56.100 -0.123 0.000 0.960 233 R CB -0.219 29.950 30.300 -0.219 0.000 0.855 233 R HN 0.422 nan 8.270 nan 0.000 0.432 234 D N 0.891 120.985 120.400 -0.510 0.000 2.277 234 D HA 0.274 4.917 4.640 0.004 0.000 0.249 234 D C -0.775 175.161 176.300 -0.607 0.000 1.134 234 D CA 0.057 53.492 54.000 -0.942 0.000 0.863 234 D CB 1.538 41.052 40.800 -2.142 0.000 1.143 234 D HN 0.128 nan 8.370 nan 0.000 0.458 235 L N 1.746 122.779 121.223 -0.317 0.000 2.410 235 L HA 0.436 4.779 4.340 0.004 0.000 0.270 235 L C -0.550 176.442 176.870 0.203 0.000 0.983 235 L CA -1.050 53.821 54.840 0.051 0.000 0.822 235 L CB 1.727 43.779 42.059 -0.013 0.000 1.285 235 L HN 0.269 nan 8.230 nan 0.000 0.409 236 W N 2.534 124.109 121.300 0.458 0.000 2.216 236 W HA 0.036 4.698 4.660 0.004 0.000 0.326 236 W C 1.107 177.795 176.519 0.282 0.000 1.319 236 W CA -0.208 57.353 57.345 0.359 0.000 1.213 236 W CB 0.738 30.316 29.460 0.198 0.000 1.171 236 W HN 0.639 nan 8.180 nan 0.000 0.557 237 W N 4.394 125.935 121.300 0.401 0.000 2.317 237 W HA -0.274 4.388 4.660 0.004 0.000 0.318 237 W C 1.984 178.619 176.519 0.193 0.000 1.227 237 W CA 1.937 59.430 57.345 0.248 0.000 1.269 237 W CB -0.466 29.081 29.460 0.145 0.000 1.155 237 W HN 0.493 nan 8.180 nan 0.000 0.484 238 R N 0.570 121.382 120.500 0.519 0.000 2.081 238 R HA -0.187 4.156 4.340 0.004 0.000 0.235 238 R C 1.863 178.258 176.300 0.157 0.000 1.131 238 R CA 2.239 58.522 56.100 0.304 0.000 0.960 238 R CB -0.715 29.693 30.300 0.179 0.000 0.856 238 R HN 0.005 nan 8.270 nan 0.000 0.436 239 D N 0.696 121.210 120.400 0.189 0.000 2.116 239 D HA -0.198 4.445 4.640 0.004 0.000 0.193 239 D C 2.005 178.346 176.300 0.069 0.000 0.998 239 D CA 1.329 55.410 54.000 0.135 0.000 0.836 239 D CB -0.252 40.677 40.800 0.215 0.000 0.951 239 D HN 0.279 nan 8.370 nan 0.000 0.449 240 L N 0.190 121.443 121.223 0.051 0.000 2.044 240 L HA -0.050 4.293 4.340 0.004 0.000 0.205 240 L C 2.602 179.418 176.870 -0.090 0.000 1.075 240 L CA 0.602 55.416 54.840 -0.045 0.000 0.747 240 L CB -0.200 41.803 42.059 -0.092 0.000 0.903 240 L HN 0.013 nan 8.230 nan 0.000 0.435 241 I N -0.386 120.111 120.570 -0.121 0.000 2.439 241 I HA -0.208 3.965 4.170 0.004 0.000 0.251 241 I C 2.348 178.442 176.117 -0.038 0.000 1.139 241 I CA 0.991 62.218 61.300 -0.122 0.000 1.438 241 I CB 0.032 37.906 38.000 -0.211 0.000 1.085 241 I HN 0.286 nan 8.210 nan 0.000 0.427 242 E N 1.158 121.357 120.200 -0.002 0.000 2.268 242 E HA -0.223 4.130 4.350 0.004 0.000 0.195 242 E C 1.787 178.385 176.600 -0.003 0.000 0.995 242 E CA 0.922 57.328 56.400 0.010 0.000 0.836 242 E CB -0.138 29.576 29.700 0.024 0.000 0.763 242 E HN 0.647 nan 8.360 nan 0.000 0.491 243 K N -0.032 120.360 120.400 -0.014 0.000 2.404 243 K HA 0.302 4.624 4.320 0.004 0.000 0.194 243 K C 0.626 177.207 176.600 -0.031 0.000 1.023 243 K CA 0.093 56.369 56.287 -0.018 0.000 1.094 243 K CB 0.508 32.998 32.500 -0.016 0.000 0.841 243 K HN -0.103 nan 8.250 nan 0.000 0.523 244 A N 1.450 124.245 122.820 -0.042 0.000 2.316 244 A HA 0.293 4.616 4.320 0.004 0.000 0.284 244 A C -0.208 177.359 177.584 -0.029 0.000 1.115 244 A CA -0.516 51.489 52.037 -0.052 0.000 0.812 244 A CB 1.091 20.038 19.000 -0.088 0.000 1.064 244 A HN 0.309 nan 8.150 nan 0.000 0.489 245 S N 1.473 117.160 115.700 -0.022 0.000 2.549 245 S HA 0.370 4.842 4.470 0.004 0.000 0.279 245 S C -1.719 172.881 174.600 0.001 0.000 1.321 245 S CA -1.097 57.101 58.200 -0.004 0.000 1.054 245 S CB 0.457 63.659 63.200 0.004 0.000 0.899 245 S HN 0.459 nan 8.310 nan 0.000 0.497 246 P HA 0.160 nan 4.420 nan 0.000 0.249 246 P C -0.616 176.700 177.300 0.027 0.000 1.229 246 P CA 0.287 63.394 63.100 0.011 0.000 0.788 246 P CB 0.035 31.751 31.700 0.027 0.000 1.072 247 E N 0.884 121.109 120.200 0.042 0.000 2.109 247 E HA 0.241 4.593 4.350 0.004 0.000 0.278 247 E C -0.485 176.170 176.600 0.091 0.000 0.954 247 E CA -0.125 56.310 56.400 0.059 0.000 0.779 247 E CB 1.169 30.890 29.700 0.035 0.000 1.093 247 E HN 0.262 nan 8.360 nan 0.000 0.401 248 H N 2.821 121.882 119.070 -0.014 0.000 3.017 248 H HA 0.126 4.685 4.556 0.004 0.000 0.340 248 H C -1.142 174.193 175.328 0.012 0.000 1.014 248 H CA -0.606 55.431 56.048 -0.018 0.000 1.341 248 H CB 1.363 31.096 29.762 -0.048 0.000 1.739 248 H HN 0.298 nan 8.280 nan 0.000 0.506 249 Q N 5.479 125.040 119.800 -0.398 0.000 2.303 249 Q HA 0.314 4.656 4.340 0.004 0.000 0.257 249 Q C -2.392 173.464 176.000 -0.240 0.000 0.941 249 Q CA -2.179 53.503 55.803 -0.201 0.000 0.931 249 Q CB 1.715 30.363 28.738 -0.150 0.000 1.215 249 Q HN 0.491 nan 8.270 nan 0.000 0.437 250 P HA 0.175 nan 4.420 nan 0.000 0.285 250 P C -0.357 176.958 177.300 0.025 0.000 1.259 250 P CA -0.276 62.875 63.100 0.086 0.000 0.794 250 P CB 1.330 33.098 31.700 0.113 0.000 0.940 251 E N 1.258 121.482 120.200 0.041 0.000 2.319 251 E HA 0.424 4.776 4.350 0.004 0.000 0.268 251 E C 0.056 176.671 176.600 0.026 0.000 1.050 251 E CA -0.837 55.575 56.400 0.021 0.000 0.878 251 E CB 1.238 30.952 29.700 0.024 0.000 1.066 251 E HN 0.474 nan 8.360 nan 0.000 0.406 252 A N 3.478 126.311 122.820 0.023 0.000 2.454 252 A HA 0.272 4.595 4.320 0.004 0.000 0.260 252 A C 0.116 177.721 177.584 0.034 0.000 1.106 252 A CA -0.124 51.931 52.037 0.030 0.000 0.780 252 A CB -0.040 18.986 19.000 0.043 0.000 1.044 252 A HN 0.402 nan 8.150 nan 0.000 0.498 253 M N 2.556 122.174 119.600 0.030 0.000 2.472 253 M HA 0.287 4.770 4.480 0.004 0.000 0.331 253 M C -0.152 176.186 176.300 0.064 0.000 1.170 253 M CA -0.853 54.467 55.300 0.034 0.000 1.009 253 M CB 0.943 33.551 32.600 0.013 0.000 1.672 253 M HN 0.631 nan 8.290 nan 0.000 0.453 254 N N 1.067 119.810 118.700 0.072 0.000 2.479 254 N HA 0.163 4.905 4.740 0.004 0.000 0.257 254 N C 0.941 176.531 175.510 0.133 0.000 1.232 254 N CA 0.063 53.180 53.050 0.112 0.000 0.920 254 N CB 0.704 39.241 38.487 0.084 0.000 1.105 254 N HN 0.783 nan 8.380 nan 0.000 0.444 255 A N 1.696 124.657 122.820 0.234 0.000 1.986 255 A HA -0.176 4.147 4.320 0.004 0.000 0.220 255 A C 1.361 179.054 177.584 0.181 0.000 1.171 255 A CA 1.400 53.612 52.037 0.293 0.000 0.640 255 A CB -0.096 19.206 19.000 0.503 0.000 0.811 255 A HN 0.593 nan 8.150 nan 0.000 0.451 256 E N 0.748 121.022 120.200 0.122 0.000 2.463 256 E HA 0.065 4.418 4.350 0.004 0.000 0.193 256 E C -0.747 175.861 176.600 0.014 0.000 1.041 256 E CA -0.205 56.228 56.400 0.056 0.000 0.879 256 E CB -0.110 29.608 29.700 0.031 0.000 0.997 256 E HN 0.506 nan 8.360 nan 0.000 0.478 257 D N 2.494 122.908 120.400 0.022 0.000 2.455 257 D HA 0.070 4.712 4.640 0.004 0.000 0.241 257 D C -2.309 173.974 176.300 -0.029 0.000 1.138 257 D CA -1.491 52.508 54.000 -0.001 0.000 0.877 257 D CB 0.565 41.370 40.800 0.009 0.000 1.187 257 D HN -0.087 nan 8.370 nan 0.000 0.451 258 P HA -0.029 nan 4.420 nan 0.000 0.265 258 P C 0.320 177.565 177.300 -0.092 0.000 1.193 258 P CA -0.156 62.898 63.100 -0.076 0.000 0.765 258 P CB 0.709 32.387 31.700 -0.036 0.000 0.823 259 L N 4.805 125.927 121.223 -0.168 0.000 2.435 259 L HA 0.425 4.768 4.340 0.004 0.000 0.195 259 L C 0.040 176.815 176.870 -0.158 0.000 1.072 259 L CA 1.181 55.924 54.840 -0.162 0.000 0.833 259 L CB -0.023 41.914 42.059 -0.204 0.000 1.081 259 L HN 0.394 nan 8.230 nan 0.000 0.485 260 F N -1.465 118.324 119.950 -0.269 0.000 2.686 260 F HA 0.655 5.185 4.527 0.004 0.000 0.311 260 F C -1.178 174.553 175.800 -0.115 0.000 1.128 260 F CA -1.759 56.056 58.000 -0.309 0.000 0.946 260 F CB 0.501 39.197 39.000 -0.506 0.000 1.336 260 F HN -0.230 nan 8.300 nan 0.000 0.457 261 I N 2.655 123.329 120.570 0.174 0.000 2.460 261 I HA 0.529 4.702 4.170 0.004 0.000 0.298 261 I C -1.056 175.241 176.117 0.300 0.000 0.989 261 I CA -0.946 60.395 61.300 0.068 0.000 1.173 261 I CB 1.999 39.908 38.000 -0.152 0.000 1.338 261 I HN 0.561 nan 8.210 nan 0.000 0.456 262 L N 5.869 127.201 121.223 0.182 0.000 2.446 262 L HA 0.410 4.753 4.340 0.004 0.000 0.268 262 L C -1.179 175.737 176.870 0.077 0.000 0.975 262 L CA -0.683 54.289 54.840 0.220 0.000 0.848 262 L CB 1.575 43.809 42.059 0.290 0.000 1.225 262 L HN 0.459 nan 8.230 nan 0.000 0.410 263 Y N 2.286 122.697 120.300 0.185 0.000 2.632 263 Y HA 0.133 4.685 4.550 0.005 0.000 0.329 263 Y C 0.719 176.749 175.900 0.217 0.000 1.174 263 Y CA 0.562 58.754 58.100 0.153 0.000 1.469 263 Y CB 0.671 39.165 38.460 0.056 0.000 1.242 263 Y HN 0.377 nan 8.280 nan 0.000 0.540 264 T N 2.608 117.330 114.554 0.281 0.000 2.881 264 T HA 0.277 4.629 4.350 0.004 0.000 0.290 264 T C -0.367 174.455 174.700 0.205 0.000 1.000 264 T CA -1.039 61.206 62.100 0.241 0.000 0.978 264 T CB 1.103 70.091 68.868 0.200 0.000 0.997 264 T HN 0.459 nan 8.240 nan 0.000 0.443 265 S N 1.808 117.613 115.700 0.176 0.000 2.562 265 S HA 0.563 5.035 4.470 0.004 0.000 0.281 265 S C 0.790 175.450 174.600 0.100 0.000 1.333 265 S CA -0.522 57.758 58.200 0.132 0.000 1.052 265 S CB 0.641 63.908 63.200 0.111 0.000 0.884 265 S HN 0.915 nan 8.310 nan 0.000 0.506 266 G N 0.478 109.324 108.800 0.078 0.000 2.788 266 G HA2 0.450 4.412 3.960 0.004 0.000 0.293 266 G HA3 0.450 4.412 3.960 0.004 0.000 0.293 266 G C 0.715 175.625 174.900 0.016 0.000 1.305 266 G CA -0.497 44.627 45.100 0.040 0.000 1.005 266 G HN 0.572 nan 8.290 nan 0.000 0.496 267 S N -1.442 114.248 115.700 -0.017 0.000 2.399 267 S HA 0.012 4.485 4.470 0.004 0.000 0.231 267 S C 1.279 175.874 174.600 -0.008 0.000 1.022 267 S CA 1.762 59.953 58.200 -0.016 0.000 0.983 267 S CB -0.323 62.854 63.200 -0.039 0.000 0.803 267 S HN 1.062 nan 8.310 nan 0.000 0.480 268 T N -1.857 112.688 114.554 -0.015 0.000 2.900 268 T HA 0.677 5.029 4.350 0.004 0.000 0.295 268 T C 0.338 175.045 174.700 0.013 0.000 1.044 268 T CA -0.148 61.951 62.100 -0.002 0.000 0.995 268 T CB 1.343 70.203 68.868 -0.014 0.000 1.072 268 T HN 0.704 nan 8.240 nan 0.000 0.473 269 G N 1.899 110.714 108.800 0.024 0.000 2.698 269 G HA2 -0.136 3.826 3.960 0.004 0.000 0.233 269 G HA3 -0.136 3.826 3.960 0.004 0.000 0.233 269 G C -0.649 174.280 174.900 0.047 0.000 1.352 269 G CA -0.438 44.683 45.100 0.034 0.000 0.879 269 G HN 0.960 nan 8.290 nan 0.000 0.567 270 K N 0.997 121.429 120.400 0.053 0.000 2.090 270 K HA 0.443 4.766 4.320 0.004 0.000 0.250 270 K C -2.211 174.446 176.600 0.096 0.000 1.004 270 K CA -1.298 55.024 56.287 0.058 0.000 0.919 270 K CB 0.653 33.174 32.500 0.035 0.000 1.045 270 K HN 0.257 nan 8.250 nan 0.000 0.471 271 P HA -0.022 nan 4.420 nan 0.000 0.266 271 P C -0.905 176.578 177.300 0.305 0.000 1.195 271 P CA 0.336 63.552 63.100 0.193 0.000 0.768 271 P CB 0.492 32.311 31.700 0.199 0.000 0.838 272 K N 1.355 121.917 120.400 0.271 0.000 2.208 272 K HA 0.480 4.803 4.320 0.004 0.000 0.247 272 K C 0.493 177.064 176.600 -0.048 0.000 0.953 272 K CA -0.767 55.655 56.287 0.224 0.000 0.837 272 K CB 1.423 34.024 32.500 0.170 0.000 1.131 272 K HN 0.512 nan 8.250 nan 0.000 0.431 273 G N 1.140 109.694 108.800 -0.411 0.000 2.508 273 G HA2 0.233 4.195 3.960 0.004 0.000 0.301 273 G HA3 0.233 4.195 3.960 0.004 0.000 0.301 273 G C -0.025 174.747 174.900 -0.214 0.000 0.965 273 G CA -0.418 44.224 45.100 -0.763 0.000 1.339 273 G HN 0.231 nan 8.290 nan 0.000 0.455 274 V N 4.088 123.938 119.914 -0.107 0.000 2.493 274 V HA 0.038 4.161 4.120 0.004 0.000 0.292 274 V C 0.664 176.666 176.094 -0.154 0.000 1.016 274 V CA -0.001 62.275 62.300 -0.041 0.000 1.097 274 V CB 0.845 32.706 31.823 0.063 0.000 0.947 274 V HN 0.602 nan 8.190 nan 0.000 0.479 275 L N 6.415 127.477 121.223 -0.268 0.000 2.282 275 L HA 0.537 4.879 4.340 0.004 0.000 0.288 275 L C -0.148 176.357 176.870 -0.608 0.000 1.033 275 L CA -0.243 54.390 54.840 -0.345 0.000 0.807 275 L CB 0.597 42.534 42.059 -0.203 0.000 1.209 275 L HN 0.624 nan 8.230 nan 0.000 0.423 276 H N 2.678 121.371 119.070 -0.627 0.000 2.492 276 H HA 0.397 4.955 4.556 0.004 0.000 0.345 276 H C -0.111 174.911 175.328 -0.510 0.000 1.136 276 H CA -0.264 55.396 56.048 -0.647 0.000 1.202 276 H CB 1.975 31.066 29.762 -1.118 0.000 1.524 276 H HN 0.724 nan 8.280 nan 0.000 0.506 277 T N -0.972 113.481 114.554 -0.170 0.000 2.946 277 T HA 0.203 4.556 4.350 0.004 0.000 0.295 277 T C 1.030 175.710 174.700 -0.035 0.000 1.143 277 T CA -0.240 61.801 62.100 -0.098 0.000 0.944 277 T CB 0.507 69.354 68.868 -0.035 0.000 1.800 277 T HN 0.457 nan 8.240 nan 0.000 0.590 278 T N -0.581 113.991 114.554 0.030 0.000 3.053 278 T HA 0.299 4.652 4.350 0.004 0.000 0.236 278 T C 2.141 176.893 174.700 0.087 0.000 0.996 278 T CA 0.539 62.660 62.100 0.035 0.000 1.185 278 T CB -0.963 67.898 68.868 -0.011 0.000 0.892 278 T HN 0.715 nan 8.240 nan 0.000 0.432 279 G N 1.344 110.233 108.800 0.149 0.000 2.505 279 G HA2 0.024 3.986 3.960 0.004 0.000 0.214 279 G HA3 0.024 3.986 3.960 0.004 0.000 0.214 279 G C 1.755 176.831 174.900 0.292 0.000 1.237 279 G CA 0.993 46.228 45.100 0.224 0.000 0.802 279 G HN 0.528 nan 8.290 nan 0.000 0.549 280 G N -0.108 108.924 108.800 0.386 0.000 2.476 280 G HA2 -0.326 3.636 3.960 0.004 0.000 0.218 280 G HA3 -0.326 3.636 3.960 0.004 0.000 0.218 280 G C 1.665 176.588 174.900 0.038 0.000 1.164 280 G CA 1.372 46.582 45.100 0.183 0.000 0.768 280 G HN 0.462 nan 8.290 nan 0.000 0.560 281 Y N 0.671 120.968 120.300 -0.006 0.000 2.081 281 Y HA -0.156 4.398 4.550 0.006 0.000 0.280 281 Y C 2.482 178.381 175.900 -0.002 0.000 1.163 281 Y CA 1.979 60.075 58.100 -0.008 0.000 1.135 281 Y CB -0.417 38.029 38.460 -0.024 0.000 0.970 281 Y HN 0.145 nan 8.280 nan 0.000 0.498 282 L N -0.652 120.523 121.223 -0.080 0.000 2.109 282 L HA -0.090 4.252 4.340 0.004 0.000 0.207 282 L C 2.333 179.110 176.870 -0.154 0.000 1.086 282 L CA 1.305 56.038 54.840 -0.178 0.000 0.760 282 L CB -0.831 41.179 42.059 -0.081 0.000 0.910 282 L HN 0.205 nan 8.230 nan 0.000 0.437 283 V N -1.220 118.672 119.914 -0.036 0.000 2.343 283 V HA -0.352 3.770 4.120 0.004 0.000 0.247 283 V C 2.223 178.359 176.094 0.069 0.000 1.051 283 V CA 2.201 64.541 62.300 0.066 0.000 1.036 283 V CB -0.799 31.144 31.823 0.200 0.000 0.654 283 V HN 0.539 nan 8.190 nan 0.000 0.451 284 Y N 0.525 120.725 120.300 -0.165 0.000 2.220 284 Y HA -0.098 4.454 4.550 0.003 0.000 0.291 284 Y C 2.425 178.175 175.900 -0.249 0.000 1.129 284 Y CA 1.341 59.345 58.100 -0.161 0.000 1.161 284 Y CB -0.248 38.074 38.460 -0.230 0.000 0.997 284 Y HN 0.179 nan 8.280 nan 0.000 0.522 285 A N 0.356 122.924 122.820 -0.420 0.000 1.865 285 A HA -0.211 4.112 4.320 0.004 0.000 0.217 285 A C 2.352 179.722 177.584 -0.356 0.000 1.191 285 A CA 2.003 53.680 52.037 -0.599 0.000 0.623 285 A CB -1.494 17.031 19.000 -0.791 0.000 0.826 285 A HN 0.554 nan 8.150 nan 0.000 0.444 286 A N -1.218 121.465 122.820 -0.228 0.000 1.902 286 A HA -0.078 4.245 4.320 0.004 0.000 0.217 286 A C 2.315 179.868 177.584 -0.051 0.000 1.181 286 A CA 2.323 54.298 52.037 -0.104 0.000 0.623 286 A CB -1.275 17.679 19.000 -0.077 0.000 0.818 286 A HN 0.442 nan 8.150 nan 0.000 0.443 287 T N 0.205 114.716 114.554 -0.072 0.000 2.708 287 T HA -0.145 4.208 4.350 0.004 0.000 0.266 287 T C 2.205 176.862 174.700 -0.073 0.000 1.037 287 T CA 2.255 64.322 62.100 -0.056 0.000 1.146 287 T CB -0.668 68.369 68.868 0.280 0.000 0.865 287 T HN 0.823 nan 8.240 nan 0.000 0.435 288 T N 0.724 115.092 114.554 -0.310 0.000 2.770 288 T HA -0.054 4.299 4.350 0.004 0.000 0.263 288 T C 1.763 176.316 174.700 -0.244 0.000 1.039 288 T CA 0.866 62.602 62.100 -0.608 0.000 1.142 288 T CB -0.919 67.252 68.868 -1.163 0.000 0.868 288 T HN 0.332 nan 8.240 nan 0.000 0.435 289 F N 2.699 122.531 119.950 -0.197 0.000 2.065 289 F HA -0.079 4.451 4.527 0.005 0.000 0.298 289 F C 2.454 178.326 175.800 0.121 0.000 1.112 289 F CA 1.978 60.028 58.000 0.083 0.000 1.212 289 F CB -0.329 38.708 39.000 0.062 0.000 0.975 289 F HN 0.101 nan 8.300 nan 0.000 0.476 290 K N -0.586 119.860 120.400 0.076 0.000 1.991 290 K HA -0.243 4.080 4.320 0.004 0.000 0.212 290 K C 2.221 178.884 176.600 0.106 0.000 1.049 290 K CA 2.299 58.605 56.287 0.033 0.000 0.932 290 K CB -0.753 31.741 32.500 -0.011 0.000 0.717 290 K HN 0.514 nan 8.250 nan 0.000 0.441 291 Y N -0.362 120.022 120.300 0.141 0.000 2.184 291 Y HA -0.172 4.385 4.550 0.012 0.000 0.290 291 Y C 2.277 178.221 175.900 0.072 0.000 1.129 291 Y CA 0.458 58.676 58.100 0.197 0.000 1.144 291 Y CB 0.203 38.928 38.460 0.441 0.000 0.995 291 Y HN -0.091 nan 8.280 nan 0.000 0.513 292 V N -0.874 119.090 119.914 0.082 0.000 2.453 292 V HA -0.266 3.856 4.120 0.004 0.000 0.247 292 V C 1.347 177.193 176.094 -0.413 0.000 1.048 292 V CA 1.644 63.803 62.300 -0.235 0.000 1.049 292 V CB -0.589 30.963 31.823 -0.451 0.000 0.672 292 V HN 0.323 nan 8.190 nan 0.000 0.457 293 F N -0.490 119.382 119.950 -0.131 0.000 2.765 293 F HA 0.224 4.754 4.527 0.006 0.000 0.302 293 F C 1.080 176.853 175.800 -0.044 0.000 1.111 293 F CA 0.331 58.233 58.000 -0.163 0.000 1.359 293 F CB -0.068 38.694 39.000 -0.396 0.000 1.097 293 F HN 0.163 nan 8.300 nan 0.000 0.577 294 D N 0.457 120.947 120.400 0.150 0.000 2.689 294 D HA -0.321 4.322 4.640 0.004 0.000 0.237 294 D C -0.278 176.193 176.300 0.285 0.000 1.148 294 D CA 0.309 54.445 54.000 0.227 0.000 0.656 294 D CB -1.485 39.453 40.800 0.229 0.000 1.050 294 D HN 0.432 nan 8.370 nan 0.000 0.426 295 Y N 1.109 121.441 120.300 0.053 0.000 2.569 295 Y HA 0.350 4.901 4.550 0.003 0.000 0.332 295 Y C 0.042 175.997 175.900 0.091 0.000 1.120 295 Y CA 0.089 58.226 58.100 0.061 0.000 1.416 295 Y CB 0.374 38.798 38.460 -0.060 0.000 1.210 295 Y HN 0.158 nan 8.280 nan 0.000 0.528 296 H N 6.722 125.361 119.070 -0.718 0.000 2.524 296 H HA 0.399 4.957 4.556 0.003 0.000 0.353 296 H C -2.397 172.370 175.328 -0.935 0.000 1.136 296 H CA -2.290 53.413 56.048 -0.575 0.000 1.193 296 H CB 1.206 30.824 29.762 -0.240 0.000 1.558 296 H HN 0.523 nan 8.280 nan 0.000 0.515 297 P HA 0.032 nan 4.420 nan 0.000 0.265 297 P C 0.890 178.152 177.300 -0.063 0.000 1.187 297 P CA 1.375 64.374 63.100 -0.169 0.000 0.766 297 P CB 0.565 32.277 31.700 0.020 0.000 0.820 298 G N 1.499 110.338 108.800 0.065 0.000 2.195 298 G HA2 -0.195 3.767 3.960 0.004 0.000 0.246 298 G HA3 -0.195 3.767 3.960 0.004 0.000 0.246 298 G C -0.156 174.815 174.900 0.118 0.000 0.984 298 G CA -0.276 44.881 45.100 0.095 0.000 0.633 298 G HN 0.516 nan 8.290 nan 0.000 0.525 299 D N 1.531 121.994 120.400 0.105 0.000 2.383 299 D HA 0.380 5.023 4.640 0.004 0.000 0.252 299 D C 1.067 177.569 176.300 0.338 0.000 1.166 299 D CA -0.009 54.105 54.000 0.189 0.000 0.879 299 D CB 0.654 41.552 40.800 0.162 0.000 1.164 299 D HN 0.208 nan 8.370 nan 0.000 0.462 300 I N 2.989 123.710 120.570 0.250 0.000 2.371 300 I HA 0.128 4.300 4.170 0.004 0.000 0.290 300 I C -0.096 176.211 176.117 0.316 0.000 1.028 300 I CA -0.515 60.936 61.300 0.251 0.000 1.345 300 I CB -0.129 37.967 38.000 0.159 0.000 1.407 300 I HN 0.319 nan 8.210 nan 0.000 0.501 301 Y N 7.068 127.493 120.300 0.208 0.000 2.391 301 Y HA 0.498 5.051 4.550 0.005 0.000 0.341 301 Y C -1.575 174.488 175.900 0.271 0.000 0.965 301 Y CA -0.866 57.370 58.100 0.227 0.000 1.067 301 Y CB 1.651 40.286 38.460 0.292 0.000 1.199 301 Y HN 0.608 nan 8.280 nan 0.000 0.450 302 W N 8.576 129.470 121.300 -0.675 0.000 2.631 302 W HA 0.527 5.190 4.660 0.004 0.000 0.321 302 W C -1.814 174.353 176.519 -0.587 0.000 1.004 302 W CA -1.709 55.341 57.345 -0.492 0.000 1.291 302 W CB 0.864 30.196 29.460 -0.214 0.000 1.300 302 W HN 0.866 nan 8.180 nan 0.000 0.422 303 C N 6.408 125.509 119.300 -0.332 0.000 2.319 303 C HA 0.545 5.008 4.460 0.004 0.000 0.335 303 C C 1.655 176.551 174.990 -0.156 0.000 1.274 303 C CA 0.403 59.325 59.018 -0.161 0.000 1.806 303 C CB 0.272 28.182 27.740 0.284 0.000 2.329 303 C HN 0.776 nan 8.230 nan 0.000 0.524 304 T N 2.833 117.171 114.554 -0.360 0.000 3.100 304 T HA 0.254 4.607 4.350 0.004 0.000 0.253 304 T C 0.818 175.541 174.700 0.038 0.000 1.118 304 T CA 0.594 62.559 62.100 -0.225 0.000 1.058 304 T CB -0.209 68.414 68.868 -0.408 0.000 0.953 304 T HN 1.194 nan 8.240 nan 0.000 0.515 305 A N 1.759 124.610 122.820 0.051 0.000 2.483 305 A HA 0.240 4.562 4.320 0.004 0.000 0.238 305 A C 0.418 178.146 177.584 0.239 0.000 1.070 305 A CA -0.377 51.755 52.037 0.157 0.000 0.770 305 A CB -0.120 18.998 19.000 0.195 0.000 1.008 305 A HN 0.523 nan 8.150 nan 0.000 0.497 306 D N 1.381 121.970 120.400 0.316 0.000 2.382 306 D HA 0.023 4.665 4.640 0.004 0.000 0.245 306 D C 1.341 177.743 176.300 0.169 0.000 1.120 306 D CA 0.001 54.141 54.000 0.232 0.000 0.890 306 D CB 1.319 42.275 40.800 0.260 0.000 1.201 306 D HN 0.230 nan 8.370 nan 0.000 0.433 307 V N 4.221 124.185 119.914 0.084 0.000 2.546 307 V HA -0.189 3.934 4.120 0.004 0.000 0.254 307 V C 2.057 178.196 176.094 0.074 0.000 1.076 307 V CA 2.507 64.834 62.300 0.044 0.000 1.087 307 V CB -0.384 31.398 31.823 -0.069 0.000 0.674 307 V HN 0.769 nan 8.190 nan 0.000 0.470 308 G N -1.687 107.064 108.800 -0.081 0.000 2.708 308 G HA2 -0.102 3.861 3.960 0.004 0.000 0.210 308 G HA3 -0.102 3.861 3.960 0.004 0.000 0.210 308 G C 0.200 174.897 174.900 -0.339 0.000 1.141 308 G CA -0.134 44.831 45.100 -0.224 0.000 0.788 308 G HN 0.616 nan 8.290 nan 0.000 0.531 309 W N -2.577 118.817 121.300 0.156 0.000 2.799 309 W HA 0.476 5.139 4.660 0.004 0.000 0.349 309 W C 0.952 177.454 176.519 -0.028 0.000 1.100 309 W CA -1.263 56.098 57.345 0.026 0.000 1.174 309 W CB 1.446 30.903 29.460 -0.004 0.000 1.427 309 W HN -0.258 nan 8.180 nan 0.000 0.547 310 V N 1.236 121.268 119.914 0.197 0.000 2.380 310 V HA -0.297 3.825 4.120 0.004 0.000 0.251 310 V C 1.696 178.089 176.094 0.498 0.000 1.063 310 V CA 2.949 65.356 62.300 0.178 0.000 1.055 310 V CB -0.559 31.401 31.823 0.229 0.000 0.657 310 V HN 0.842 nan 8.190 nan 0.000 0.455 311 T N -0.092 114.758 114.554 0.494 0.000 2.759 311 T HA -0.119 4.233 4.350 0.004 0.000 0.269 311 T C 1.686 176.752 174.700 0.610 0.000 1.042 311 T CA 1.454 64.005 62.100 0.753 0.000 1.140 311 T CB -0.683 68.481 68.868 0.495 0.000 0.864 311 T HN 0.667 nan 8.240 nan 0.000 0.455 312 G N 0.200 109.269 108.800 0.449 0.000 2.448 312 G HA2 -0.154 3.809 3.960 0.004 0.000 0.218 312 G HA3 -0.154 3.809 3.960 0.004 0.000 0.218 312 G C 1.254 176.301 174.900 0.245 0.000 1.135 312 G CA 0.351 45.650 45.100 0.332 0.000 0.784 312 G HN 0.577 nan 8.290 nan 0.000 0.543 313 H N 0.259 119.364 119.070 0.059 0.000 2.284 313 H HA 0.001 4.559 4.556 0.004 0.000 0.304 313 H C 2.870 178.175 175.328 -0.038 0.000 1.069 313 H CA 1.204 57.176 56.048 -0.127 0.000 1.327 313 H CB 0.178 29.840 29.762 -0.166 0.000 1.387 313 H HN 0.338 nan 8.280 nan 0.000 0.498 314 S N -0.144 115.707 115.700 0.252 0.000 2.395 314 S HA -0.072 4.400 4.470 0.004 0.000 0.225 314 S C 1.121 175.386 174.600 -0.558 0.000 1.027 314 S CA 0.956 59.038 58.200 -0.197 0.000 0.965 314 S CB 0.009 62.875 63.200 -0.557 0.000 0.812 314 S HN 0.410 nan 8.310 nan 0.000 0.482 315 Y N -0.284 120.193 120.300 0.296 0.000 2.527 315 Y HA 0.460 5.012 4.550 0.003 0.000 0.247 315 Y C 1.448 177.607 175.900 0.431 0.000 1.138 315 Y CA -0.329 57.998 58.100 0.378 0.000 1.228 315 Y CB 0.338 39.218 38.460 0.700 0.000 1.252 315 Y HN 0.117 nan 8.280 nan 0.000 0.531 316 L N -0.764 120.674 121.223 0.358 0.000 2.286 316 L HA 0.098 4.441 4.340 0.004 0.000 0.203 316 L C 1.204 178.113 176.870 0.066 0.000 1.068 316 L CA 1.001 56.002 54.840 0.269 0.000 0.811 316 L CB 0.210 42.387 42.059 0.196 0.000 0.989 316 L HN 0.263 nan 8.230 nan 0.000 0.467 317 L N -2.330 118.829 121.223 -0.106 0.000 2.670 317 L HA 0.006 4.349 4.340 0.004 0.000 0.177 317 L C 2.394 179.140 176.870 -0.206 0.000 1.181 317 L CA 0.066 54.749 54.840 -0.262 0.000 0.856 317 L CB -0.807 40.922 42.059 -0.549 0.000 1.205 317 L HN 0.016 nan 8.230 nan 0.000 0.506 318 Y N 1.237 121.491 120.300 -0.078 0.000 2.133 318 Y HA -0.077 4.475 4.550 0.004 0.000 0.287 318 Y C 2.583 178.341 175.900 -0.237 0.000 1.134 318 Y CA 1.044 59.094 58.100 -0.084 0.000 1.133 318 Y CB -1.530 36.984 38.460 0.090 0.000 0.987 318 Y HN 0.125 nan 8.280 nan 0.000 0.502 319 G N 0.377 109.033 108.800 -0.240 0.000 2.480 319 G HA2 -0.221 3.741 3.960 0.004 0.000 0.216 319 G HA3 -0.221 3.741 3.960 0.004 0.000 0.216 319 G C -0.559 173.876 174.900 -0.775 0.000 1.200 319 G CA 1.087 45.926 45.100 -0.435 0.000 0.782 319 G HN 0.288 nan 8.290 nan 0.000 0.554 320 P HA -0.073 nan 4.420 nan 0.000 0.214 320 P C 2.124 179.057 177.300 -0.612 0.000 1.163 320 P CA 0.900 63.201 63.100 -1.332 0.000 0.889 320 P CB -0.171 31.054 31.700 -0.792 0.000 0.790 321 L N -1.190 119.864 121.223 -0.282 0.000 2.056 321 L HA -0.140 4.202 4.340 0.004 0.000 0.207 321 L C 2.515 179.405 176.870 0.033 0.000 1.078 321 L CA 1.487 56.308 54.840 -0.031 0.000 0.749 321 L CB -1.294 40.809 42.059 0.073 0.000 0.901 321 L HN -0.057 nan 8.230 nan 0.000 0.433 322 A N -1.001 121.818 122.820 -0.002 0.000 1.986 322 A HA -0.248 4.074 4.320 0.004 0.000 0.220 322 A C 2.218 179.828 177.584 0.044 0.000 1.171 322 A CA 1.941 54.013 52.037 0.059 0.000 0.640 322 A CB -1.048 17.931 19.000 -0.034 0.000 0.811 322 A HN 0.570 nan 8.150 nan 0.000 0.451 323 C N -1.510 117.701 119.300 -0.149 0.000 2.626 323 C HA 0.440 4.903 4.460 0.004 0.000 0.266 323 C C 1.893 176.759 174.990 -0.207 0.000 1.317 323 C CA 0.290 59.225 59.018 -0.139 0.000 1.716 323 C CB -1.152 26.472 27.740 -0.195 0.000 1.819 323 C HN 1.113 nan 8.230 nan 0.000 0.578 324 G N 0.800 109.332 108.800 -0.447 0.000 2.147 324 G HA2 -0.039 3.924 3.960 0.004 0.000 0.244 324 G HA3 -0.039 3.924 3.960 0.004 0.000 0.244 324 G C 0.100 174.879 174.900 -0.201 0.000 1.005 324 G CA 0.276 44.928 45.100 -0.745 0.000 0.713 324 G HN 0.870 nan 8.290 nan 0.000 0.515 325 A N -0.490 122.211 122.820 -0.198 0.000 2.287 325 A HA 0.784 5.106 4.320 0.004 0.000 0.273 325 A C 0.735 178.399 177.584 0.135 0.000 1.091 325 A CA 0.712 52.700 52.037 -0.083 0.000 0.817 325 A CB 0.567 19.299 19.000 -0.445 0.000 1.069 325 A HN 0.771 nan 8.150 nan 0.000 0.492 326 T N 1.497 116.178 114.554 0.212 0.000 2.743 326 T HA 0.471 4.824 4.350 0.004 0.000 0.293 326 T C 0.040 174.839 174.700 0.166 0.000 0.945 326 T CA 0.209 62.396 62.100 0.145 0.000 1.030 326 T CB 0.613 69.571 68.868 0.150 0.000 0.912 326 T HN 0.703 nan 8.240 nan 0.000 0.483 327 T N 3.859 118.465 114.554 0.086 0.000 2.829 327 T HA 0.619 4.971 4.350 0.004 0.000 0.280 327 T C -0.694 174.042 174.700 0.059 0.000 0.999 327 T CA -0.758 61.451 62.100 0.182 0.000 0.983 327 T CB 0.653 69.621 68.868 0.166 0.000 0.968 327 T HN 0.480 nan 8.240 nan 0.000 0.446 328 L N 5.798 127.062 121.223 0.069 0.000 2.289 328 L HA 0.656 4.998 4.340 0.004 0.000 0.285 328 L C -0.270 176.611 176.870 0.019 0.000 1.049 328 L CA -0.694 54.074 54.840 -0.119 0.000 0.804 328 L CB 1.142 42.964 42.059 -0.395 0.000 1.195 328 L HN 0.697 nan 8.230 nan 0.000 0.428 329 M N 5.650 125.242 119.600 -0.013 0.000 2.072 329 M HA 0.320 4.803 4.480 0.004 0.000 0.331 329 M C -1.704 174.647 176.300 0.084 0.000 1.004 329 M CA -0.662 54.720 55.300 0.135 0.000 0.952 329 M CB 1.085 33.796 32.600 0.184 0.000 1.511 329 M HN 0.548 nan 8.290 nan 0.000 0.422 330 F N 4.176 124.125 119.950 -0.001 0.000 2.410 330 F HA 0.295 4.825 4.527 0.004 0.000 0.349 330 F C 0.976 176.762 175.800 -0.023 0.000 1.117 330 F CA -0.501 57.436 58.000 -0.105 0.000 1.104 330 F CB 1.078 40.169 39.000 0.151 0.000 1.122 330 F HN 0.764 nan 8.300 nan 0.000 0.483 331 E N 3.157 123.000 120.200 -0.595 0.000 2.208 331 E HA 0.073 4.426 4.350 0.004 0.000 0.193 331 E C 0.975 177.148 176.600 -0.711 0.000 0.988 331 E CA 0.775 56.897 56.400 -0.463 0.000 0.828 331 E CB 0.077 29.601 29.700 -0.294 0.000 0.763 331 E HN 0.909 nan 8.360 nan 0.000 0.478 332 G N -0.071 107.786 108.800 -1.571 0.000 3.019 332 G HA2 0.426 4.389 3.960 0.004 0.000 0.152 332 G HA3 0.426 4.389 3.960 0.004 0.000 0.152 332 G C -0.707 173.868 174.900 -0.540 0.000 1.320 332 G CA -0.195 44.322 45.100 -0.972 0.000 1.013 332 G HN 0.048 nan 8.290 nan 0.000 0.593 333 V N -0.088 119.841 119.914 0.025 0.000 2.604 333 V HA 0.365 4.488 4.120 0.004 0.000 0.305 333 V C -2.007 174.441 176.094 0.590 0.000 1.043 333 V CA -1.466 61.012 62.300 0.297 0.000 0.888 333 V CB 2.199 34.133 31.823 0.185 0.000 0.995 333 V HN 0.456 nan 8.190 nan 0.000 0.429 334 P HA -0.054 nan 4.420 nan 0.000 0.231 334 P C 0.593 178.046 177.300 0.255 0.000 1.158 334 P CA 1.147 64.463 63.100 0.360 0.000 0.763 334 P CB -0.116 31.695 31.700 0.186 0.000 0.805 335 N N -4.109 114.753 118.700 0.270 0.000 2.299 335 N HA 0.106 4.849 4.740 0.004 0.000 0.246 335 N C -0.690 174.976 175.510 0.259 0.000 1.254 335 N CA -0.686 52.489 53.050 0.208 0.000 0.879 335 N CB 0.097 38.674 38.487 0.151 0.000 1.214 335 N HN 0.025 nan 8.380 nan 0.000 0.510 336 W N 2.161 123.539 121.300 0.129 0.000 2.785 336 W HA 0.484 5.147 4.660 0.004 0.000 0.333 336 W C -2.367 174.219 176.519 0.111 0.000 1.062 336 W CA -1.839 55.565 57.345 0.099 0.000 1.233 336 W CB 2.044 31.553 29.460 0.081 0.000 1.413 336 W HN -0.178 nan 8.180 nan 0.000 0.489 337 P HA -0.012 nan 4.420 nan 0.000 0.223 337 P C 0.213 177.210 177.300 -0.504 0.000 1.151 337 P CA 1.293 63.613 63.100 -1.300 0.000 0.787 337 P CB 0.265 31.270 31.700 -1.160 0.000 0.788 338 T N -6.121 108.301 114.554 -0.221 0.000 2.906 338 T HA 0.467 4.820 4.350 0.004 0.000 0.295 338 T C -2.544 172.158 174.700 0.002 0.000 1.075 338 T CA -2.345 59.699 62.100 -0.093 0.000 1.005 338 T CB 2.067 70.882 68.868 -0.088 0.000 1.136 338 T HN -0.349 nan 8.240 nan 0.000 0.498 339 P HA 0.067 nan 4.420 nan 0.000 0.223 339 P C 1.244 178.592 177.300 0.079 0.000 1.144 339 P CA 0.828 63.969 63.100 0.069 0.000 0.783 339 P CB -0.218 31.521 31.700 0.065 0.000 0.771 340 A N -0.779 122.069 122.820 0.047 0.000 2.235 340 A HA -0.066 4.256 4.320 0.004 0.000 0.208 340 A C 2.228 179.831 177.584 0.031 0.000 1.172 340 A CA 0.609 52.670 52.037 0.040 0.000 0.786 340 A CB -0.882 18.125 19.000 0.010 0.000 0.804 340 A HN -0.046 nan 8.150 nan 0.000 0.479 341 R N 0.127 120.653 120.500 0.044 0.000 2.094 341 R HA -0.166 4.177 4.340 0.004 0.000 0.239 341 R C 2.032 178.345 176.300 0.021 0.000 1.137 341 R CA 2.418 58.539 56.100 0.035 0.000 0.943 341 R CB -0.655 29.712 30.300 0.112 0.000 0.850 341 R HN 0.561 nan 8.270 nan 0.000 0.433 342 M N -0.693 118.960 119.600 0.089 0.000 2.073 342 M HA -0.265 4.217 4.480 0.004 0.000 0.258 342 M C 1.941 178.345 176.300 0.173 0.000 1.070 342 M CA 2.255 57.657 55.300 0.169 0.000 1.103 342 M CB -0.252 32.419 32.600 0.118 0.000 1.321 342 M HN 0.370 nan 8.290 nan 0.000 0.405 343 C N 0.264 119.618 119.300 0.091 0.000 2.446 343 C HA -0.080 4.382 4.460 0.004 0.000 0.279 343 C C 2.473 177.463 174.990 -0.001 0.000 1.366 343 C CA 0.644 59.691 59.018 0.048 0.000 1.763 343 C CB -1.196 26.555 27.740 0.019 0.000 1.929 343 C HN 0.629 nan 8.230 nan 0.000 0.509 344 Q N 0.208 119.992 119.800 -0.026 0.000 2.119 344 Q HA -0.129 4.213 4.340 0.004 0.000 0.201 344 Q C 2.308 178.226 176.000 -0.136 0.000 0.972 344 Q CA 1.353 57.110 55.803 -0.077 0.000 0.847 344 Q CB -0.140 28.551 28.738 -0.079 0.000 0.903 344 Q HN 0.575 nan 8.270 nan 0.000 0.433 345 V N 0.025 119.840 119.914 -0.165 0.000 2.343 345 V HA -0.226 3.896 4.120 0.004 0.000 0.247 345 V C 2.180 178.161 176.094 -0.190 0.000 1.051 345 V CA 1.326 63.447 62.300 -0.299 0.000 1.036 345 V CB -0.468 30.943 31.823 -0.687 0.000 0.654 345 V HN 0.188 nan 8.190 nan 0.000 0.451 346 V N 0.354 120.253 119.914 -0.025 0.000 2.287 346 V HA -0.276 3.847 4.120 0.004 0.000 0.248 346 V C 2.324 178.401 176.094 -0.028 0.000 1.053 346 V CA 2.343 64.667 62.300 0.041 0.000 1.027 346 V CB -0.694 31.187 31.823 0.097 0.000 0.646 346 V HN 0.553 nan 8.190 nan 0.000 0.447 347 D N -0.242 120.121 120.400 -0.062 0.000 2.097 347 D HA -0.184 4.458 4.640 0.004 0.000 0.195 347 D C 2.151 178.371 176.300 -0.133 0.000 0.989 347 D CA 1.481 55.432 54.000 -0.082 0.000 0.827 347 D CB -0.307 40.444 40.800 -0.081 0.000 0.966 347 D HN 0.395 nan 8.370 nan 0.000 0.456 348 K N -0.064 120.199 120.400 -0.228 0.000 2.063 348 K HA -0.161 4.161 4.320 0.004 0.000 0.208 348 K C 1.235 177.551 176.600 -0.475 0.000 1.048 348 K CA 1.230 57.275 56.287 -0.404 0.000 0.928 348 K CB 0.054 32.197 32.500 -0.594 0.000 0.713 348 K HN 0.287 nan 8.250 nan 0.000 0.442 349 H N 0.143 119.153 119.070 -0.100 0.000 2.549 349 H HA 0.129 4.687 4.556 0.004 0.000 0.279 349 H C -0.086 175.225 175.328 -0.028 0.000 1.018 349 H CA 0.078 56.082 56.048 -0.073 0.000 1.175 349 H CB 0.798 30.461 29.762 -0.166 0.000 1.485 349 H HN 0.243 nan 8.280 nan 0.000 0.543 350 Q N 0.305 120.124 119.800 0.032 0.000 2.451 350 Q HA -0.139 4.204 4.340 0.004 0.000 0.305 350 Q C -0.156 175.884 176.000 0.066 0.000 1.345 350 Q CA 0.235 56.060 55.803 0.037 0.000 0.854 350 Q CB -2.268 26.493 28.738 0.039 0.000 1.162 350 Q HN 0.197 nan 8.270 nan 0.000 0.440 351 V N 1.061 121.020 119.914 0.076 0.000 2.529 351 V HA -0.069 4.054 4.120 0.004 0.000 0.292 351 V C 1.546 177.697 176.094 0.095 0.000 1.028 351 V CA 0.959 63.325 62.300 0.110 0.000 1.074 351 V CB 0.778 32.697 31.823 0.159 0.000 0.958 351 V HN 0.451 nan 8.190 nan 0.000 0.481 352 N N 3.689 122.459 118.700 0.116 0.000 2.415 352 N HA 0.309 5.052 4.740 0.004 0.000 0.174 352 N C -0.156 175.416 175.510 0.103 0.000 1.048 352 N CA 0.219 53.324 53.050 0.092 0.000 0.895 352 N CB 0.437 38.983 38.487 0.099 0.000 1.036 352 N HN 0.586 nan 8.380 nan 0.000 0.449 353 I N 1.296 121.955 120.570 0.148 0.000 2.447 353 I HA 0.305 4.478 4.170 0.004 0.000 0.287 353 I C -1.515 174.619 176.117 0.027 0.000 1.023 353 I CA -0.888 60.494 61.300 0.136 0.000 1.083 353 I CB 2.194 40.359 38.000 0.275 0.000 1.245 353 I HN -0.083 nan 8.210 nan 0.000 0.434 354 L N 7.813 129.046 121.223 0.016 0.000 2.356 354 L HA 0.548 4.890 4.340 0.004 0.000 0.277 354 L C -1.784 175.125 176.870 0.065 0.000 0.996 354 L CA -0.451 54.371 54.840 -0.029 0.000 0.822 354 L CB 1.338 43.397 42.059 -0.001 0.000 1.256 354 L HN 0.462 nan 8.230 nan 0.000 0.413 355 Y N 4.410 124.574 120.300 -0.227 0.000 2.363 355 Y HA 0.681 5.235 4.550 0.006 0.000 0.325 355 Y C -0.488 175.332 175.900 -0.134 0.000 0.984 355 Y CA -0.427 57.633 58.100 -0.066 0.000 1.248 355 Y CB 1.369 39.795 38.460 -0.058 0.000 1.116 355 Y HN 0.800 nan 8.280 nan 0.000 0.470 356 T N 3.265 117.728 114.554 -0.152 0.000 2.626 356 T HA 0.914 5.267 4.350 0.004 0.000 0.279 356 T C -1.353 173.157 174.700 -0.317 0.000 0.983 356 T CA -0.198 61.710 62.100 -0.319 0.000 1.059 356 T CB 1.080 69.761 68.868 -0.312 0.000 1.396 356 T HN 0.738 nan 8.240 nan 0.000 0.519 357 A N 1.239 123.890 122.820 -0.282 0.000 2.337 357 A HA 0.709 5.031 4.320 0.004 0.000 0.329 357 A C -2.086 175.361 177.584 -0.228 0.000 1.146 357 A CA -1.642 50.251 52.037 -0.240 0.000 0.800 357 A CB 0.978 19.842 19.000 -0.226 0.000 1.220 357 A HN 0.603 nan 8.150 nan 0.000 0.472 358 P HA -0.141 nan 4.420 nan 0.000 0.217 358 P C 1.474 178.698 177.300 -0.127 0.000 1.148 358 P CA 1.953 64.968 63.100 -0.142 0.000 0.828 358 P CB 0.151 31.810 31.700 -0.069 0.000 0.783 359 T N -0.829 113.643 114.554 -0.137 0.000 2.746 359 T HA -0.132 4.221 4.350 0.004 0.000 0.267 359 T C 1.878 176.514 174.700 -0.107 0.000 1.039 359 T CA 1.618 63.646 62.100 -0.120 0.000 1.142 359 T CB -0.896 67.879 68.868 -0.155 0.000 0.866 359 T HN 0.057 nan 8.240 nan 0.000 0.444 360 A N 1.247 123.995 122.820 -0.120 0.000 1.877 360 A HA -0.050 4.272 4.320 0.004 0.000 0.216 360 A C 2.274 179.805 177.584 -0.088 0.000 1.186 360 A CA 1.365 53.349 52.037 -0.089 0.000 0.620 360 A CB -0.861 18.079 19.000 -0.100 0.000 0.822 360 A HN 0.514 nan 8.150 nan 0.000 0.443 361 I N -0.788 119.700 120.570 -0.137 0.000 2.163 361 I HA -0.307 3.865 4.170 0.004 0.000 0.243 361 I C 2.790 178.818 176.117 -0.148 0.000 1.085 361 I CA 1.590 62.829 61.300 -0.101 0.000 1.347 361 I CB -0.341 37.533 38.000 -0.210 0.000 1.044 361 I HN 0.283 nan 8.210 nan 0.000 0.408 362 R N 0.569 120.984 120.500 -0.142 0.000 2.096 362 R HA -0.116 4.227 4.340 0.004 0.000 0.235 362 R C 2.457 178.651 176.300 -0.176 0.000 1.127 362 R CA 1.402 57.404 56.100 -0.163 0.000 0.968 362 R CB -0.473 29.774 30.300 -0.088 0.000 0.861 362 R HN 0.387 nan 8.270 nan 0.000 0.440 363 A N 1.259 124.011 122.820 -0.113 0.000 1.933 363 A HA -0.119 4.204 4.320 0.004 0.000 0.218 363 A C 2.158 179.681 177.584 -0.101 0.000 1.175 363 A CA 1.135 53.126 52.037 -0.076 0.000 0.628 363 A CB -0.441 18.543 19.000 -0.026 0.000 0.814 363 A HN 0.167 nan 8.150 nan 0.000 0.444 364 L N -1.500 119.650 121.223 -0.122 0.000 2.109 364 L HA -0.098 4.244 4.340 0.004 0.000 0.207 364 L C 2.778 179.416 176.870 -0.386 0.000 1.086 364 L CA 1.554 56.337 54.840 -0.095 0.000 0.760 364 L CB -0.460 41.672 42.059 0.122 0.000 0.910 364 L HN 0.564 nan 8.230 nan 0.000 0.437 365 M N 0.078 119.157 119.600 -0.869 0.000 2.229 365 M HA -0.148 4.335 4.480 0.004 0.000 0.264 365 M C 2.287 178.209 176.300 -0.629 0.000 1.063 365 M CA 1.707 56.146 55.300 -1.435 0.000 1.114 365 M CB -0.076 31.655 32.600 -1.448 0.000 1.387 365 M HN 0.221 nan 8.290 nan 0.000 0.420 366 A N 0.249 122.855 122.820 -0.357 0.000 2.024 366 A HA -0.145 4.178 4.320 0.004 0.000 0.220 366 A C 1.704 179.217 177.584 -0.118 0.000 1.164 366 A CA 1.640 53.566 52.037 -0.185 0.000 0.643 366 A CB -0.508 18.425 19.000 -0.111 0.000 0.806 366 A HN 0.596 nan 8.150 nan 0.000 0.451 367 E N -0.760 119.376 120.200 -0.105 0.000 2.479 367 E HA 0.262 4.614 4.350 0.004 0.000 0.193 367 E C 1.477 178.101 176.600 0.041 0.000 1.049 367 E CA 0.560 56.951 56.400 -0.015 0.000 0.870 367 E CB -0.577 29.134 29.700 0.017 0.000 0.944 367 E HN 0.617 nan 8.360 nan 0.000 0.492 368 G N 2.467 111.287 108.800 0.033 0.000 2.611 368 G HA2 -0.377 3.586 3.960 0.004 0.000 0.301 368 G HA3 -0.377 3.586 3.960 0.004 0.000 0.301 368 G C 0.572 175.666 174.900 0.322 0.000 1.233 368 G CA 0.507 45.727 45.100 0.201 0.000 0.993 368 G HN 0.250 nan 8.290 nan 0.000 0.553 369 D N 0.888 121.421 120.400 0.221 0.000 2.348 369 D HA 0.039 4.681 4.640 0.004 0.000 0.216 369 D C 2.371 178.742 176.300 0.119 0.000 0.970 369 D CA 0.722 54.820 54.000 0.163 0.000 0.889 369 D CB -0.013 40.845 40.800 0.097 0.000 0.912 369 D HN 0.296 nan 8.370 nan 0.000 0.524 370 K N 0.569 121.035 120.400 0.110 0.000 2.280 370 K HA -0.001 4.321 4.320 0.004 0.000 0.202 370 K C 1.706 178.363 176.600 0.094 0.000 1.047 370 K CA 0.427 56.760 56.287 0.077 0.000 0.942 370 K CB -0.157 32.376 32.500 0.055 0.000 0.739 370 K HN 0.094 nan 8.250 nan 0.000 0.457 371 A N 1.031 123.949 122.820 0.163 0.000 2.119 371 A HA -0.021 4.302 4.320 0.004 0.000 0.216 371 A C 1.845 179.507 177.584 0.131 0.000 1.152 371 A CA 0.817 52.970 52.037 0.193 0.000 0.708 371 A CB -0.384 18.844 19.000 0.380 0.000 0.805 371 A HN 0.431 nan 8.150 nan 0.000 0.460 372 I N -4.527 116.096 120.570 0.088 0.000 4.240 372 I HA 0.322 4.495 4.170 0.004 0.000 0.331 372 I C 0.386 176.504 176.117 0.002 0.000 1.381 372 I CA -0.271 61.039 61.300 0.018 0.000 1.136 372 I CB 0.093 38.069 38.000 -0.040 0.000 1.137 372 I HN 0.078 nan 8.210 nan 0.000 0.411 373 E N 2.570 122.779 120.200 0.016 0.000 2.417 373 E HA 0.242 4.595 4.350 0.004 0.000 0.261 373 E C 1.271 177.863 176.600 -0.012 0.000 1.000 373 E CA 1.061 57.463 56.400 0.002 0.000 0.919 373 E CB 0.326 30.031 29.700 0.009 0.000 0.955 373 E HN 0.579 nan 8.360 nan 0.000 0.455 374 G N 3.298 112.086 108.800 -0.020 0.000 2.162 374 G HA2 -0.292 3.671 3.960 0.004 0.000 0.260 374 G HA3 -0.292 3.671 3.960 0.004 0.000 0.260 374 G C 0.254 175.133 174.900 -0.035 0.000 0.976 374 G CA 0.660 45.743 45.100 -0.028 0.000 0.655 374 G HN 0.747 nan 8.290 nan 0.000 0.533 375 T N -3.186 111.347 114.554 -0.036 0.000 2.918 375 T HA 0.689 5.042 4.350 0.004 0.000 0.286 375 T C 0.506 175.175 174.700 -0.052 0.000 1.026 375 T CA 0.230 62.304 62.100 -0.044 0.000 1.031 375 T CB 2.757 71.602 68.868 -0.038 0.000 1.046 375 T HN 0.005 nan 8.240 nan 0.000 0.479 376 D N 0.644 121.010 120.400 -0.056 0.000 2.527 376 D HA 0.035 4.677 4.640 0.004 0.000 0.249 376 D C 0.864 177.119 176.300 -0.075 0.000 1.029 376 D CA 0.390 54.353 54.000 -0.062 0.000 0.951 376 D CB 0.277 41.044 40.800 -0.055 0.000 1.093 376 D HN 0.742 nan 8.370 nan 0.000 0.464 377 R N -0.915 119.544 120.500 -0.069 0.000 3.728 377 R HA -0.126 4.216 4.340 0.004 0.000 0.478 377 R C 1.575 177.823 176.300 -0.086 0.000 0.932 377 R CA 0.768 56.821 56.100 -0.078 0.000 1.317 377 R CB -1.993 28.241 30.300 -0.108 0.000 1.987 377 R HN 0.031 nan 8.270 nan 0.000 0.509 378 S N 0.165 115.819 115.700 -0.076 0.000 2.419 378 S HA -0.164 4.309 4.470 0.004 0.000 0.233 378 S C 1.778 176.342 174.600 -0.061 0.000 1.016 378 S CA 1.494 59.649 58.200 -0.075 0.000 0.974 378 S CB -0.100 63.062 63.200 -0.063 0.000 0.786 378 S HN 0.655 nan 8.310 nan 0.000 0.492 379 S N 1.219 116.893 115.700 -0.043 0.000 2.442 379 S HA 0.047 4.519 4.470 0.004 0.000 0.236 379 S C 0.666 175.252 174.600 -0.022 0.000 1.007 379 S CA 0.268 58.454 58.200 -0.023 0.000 0.965 379 S CB -0.690 62.508 63.200 -0.002 0.000 0.773 379 S HN 0.368 nan 8.310 nan 0.000 0.504 380 L N 1.436 122.633 121.223 -0.043 0.000 2.456 380 L HA 0.262 4.605 4.340 0.004 0.000 0.272 380 L C 1.740 178.572 176.870 -0.064 0.000 1.189 380 L CA -0.034 54.776 54.840 -0.050 0.000 0.846 380 L CB 0.447 42.449 42.059 -0.094 0.000 1.111 380 L HN 0.216 nan 8.230 nan 0.000 0.475 381 R N 2.348 122.824 120.500 -0.039 0.000 2.561 381 R HA 0.389 4.731 4.340 0.004 0.000 0.213 381 R C -0.501 175.785 176.300 -0.023 0.000 0.885 381 R CA -0.093 55.984 56.100 -0.038 0.000 1.002 381 R CB 1.134 31.422 30.300 -0.019 0.000 1.432 381 R HN 0.385 nan 8.270 nan 0.000 0.651 382 I N 2.013 122.589 120.570 0.010 0.000 2.582 382 I HA 0.392 4.564 4.170 0.004 0.000 0.292 382 I C -0.536 175.596 176.117 0.024 0.000 1.066 382 I CA -0.680 60.647 61.300 0.046 0.000 1.053 382 I CB 2.171 40.262 38.000 0.153 0.000 1.241 382 I HN -0.013 nan 8.210 nan 0.000 0.421 383 L N 3.736 124.948 121.223 -0.019 0.000 2.319 383 L HA 0.942 5.284 4.340 0.004 0.000 0.267 383 L C 0.313 177.291 176.870 0.179 0.000 1.011 383 L CA -0.547 54.282 54.840 -0.018 0.000 0.818 383 L CB 2.380 44.187 42.059 -0.421 0.000 1.316 383 L HN 0.748 nan 8.230 nan 0.000 0.432 384 G N -0.373 108.656 108.800 0.382 0.000 2.690 384 G HA2 0.569 4.531 3.960 0.004 0.000 0.291 384 G HA3 0.569 4.531 3.960 0.004 0.000 0.291 384 G C -1.925 173.282 174.900 0.511 0.000 1.403 384 G CA -0.341 45.044 45.100 0.475 0.000 0.864 384 G HN 0.415 nan 8.290 nan 0.000 0.480 385 S N -1.041 114.893 115.700 0.391 0.000 2.548 385 S HA 0.737 5.210 4.470 0.004 0.000 0.276 385 S C -1.466 173.255 174.600 0.201 0.000 1.129 385 S CA -0.579 57.721 58.200 0.168 0.000 0.931 385 S CB 1.753 65.012 63.200 0.099 0.000 1.068 385 S HN 1.513 nan 8.310 nan 0.000 0.480 386 V N 4.011 123.941 119.914 0.028 0.000 2.971 386 V HA 0.833 4.956 4.120 0.004 0.000 0.309 386 V C 0.655 176.700 176.094 -0.081 0.000 1.130 386 V CA 0.770 63.096 62.300 0.044 0.000 0.964 386 V CB 1.458 33.327 31.823 0.076 0.000 1.029 386 V HN 1.633 nan 8.190 nan 0.000 0.427 387 G N 4.173 112.920 108.800 -0.088 0.000 2.316 387 G HA2 -0.050 3.913 3.960 0.004 0.000 0.203 387 G HA3 -0.050 3.913 3.960 0.004 0.000 0.203 387 G C -0.143 174.681 174.900 -0.125 0.000 0.999 387 G CA 0.513 45.503 45.100 -0.183 0.000 0.649 387 G HN 1.535 nan 8.290 nan 0.000 0.489 388 E N -0.592 119.585 120.200 -0.039 0.000 2.403 388 E HA 0.512 4.864 4.350 0.004 0.000 0.280 388 E C -3.380 173.254 176.600 0.057 0.000 1.101 388 E CA -1.886 54.513 56.400 -0.002 0.000 0.856 388 E CB 0.723 30.389 29.700 -0.057 0.000 1.303 388 E HN 0.070 nan 8.360 nan 0.000 0.441 389 P HA 0.235 nan 4.420 nan 0.000 0.269 389 P C -0.817 176.541 177.300 0.096 0.000 1.215 389 P CA -0.217 62.946 63.100 0.105 0.000 0.780 389 P CB 0.531 32.293 31.700 0.103 0.000 0.898 390 I N 2.294 122.946 120.570 0.137 0.000 2.447 390 I HA 0.237 4.409 4.170 0.004 0.000 0.287 390 I C -0.068 176.164 176.117 0.192 0.000 1.023 390 I CA -1.048 60.346 61.300 0.157 0.000 1.083 390 I CB 0.942 39.068 38.000 0.210 0.000 1.245 390 I HN 0.380 nan 8.210 nan 0.000 0.434 391 N N 7.750 126.548 118.700 0.163 0.000 2.482 391 N HA 0.189 4.932 4.740 0.004 0.000 0.260 391 N C -2.274 173.367 175.510 0.219 0.000 1.236 391 N CA -1.126 52.023 53.050 0.164 0.000 0.938 391 N CB 0.904 39.459 38.487 0.114 0.000 1.128 391 N HN 0.310 nan 8.380 nan 0.000 0.448 392 P HA -0.218 nan 4.420 nan 0.000 0.216 392 P C 1.045 178.511 177.300 0.277 0.000 1.154 392 P CA 2.066 65.282 63.100 0.193 0.000 0.865 392 P CB 0.071 31.838 31.700 0.112 0.000 0.789 393 E N -0.629 119.705 120.200 0.223 0.000 2.152 393 E HA -0.055 4.298 4.350 0.004 0.000 0.192 393 E C 1.959 178.744 176.600 0.308 0.000 0.983 393 E CA 0.981 57.529 56.400 0.246 0.000 0.818 393 E CB -0.882 28.919 29.700 0.167 0.000 0.758 393 E HN 0.117 nan 8.360 nan 0.000 0.467 394 A N 1.325 124.306 122.820 0.270 0.000 1.898 394 A HA -0.127 4.195 4.320 0.004 0.000 0.216 394 A C 1.891 179.732 177.584 0.427 0.000 1.181 394 A CA 1.069 53.276 52.037 0.284 0.000 0.620 394 A CB -1.167 17.927 19.000 0.157 0.000 0.819 394 A HN 0.582 nan 8.150 nan 0.000 0.442 395 W N 1.074 122.512 121.300 0.231 0.000 2.338 395 W HA -0.180 4.482 4.660 0.003 0.000 0.304 395 W C 2.062 178.773 176.519 0.319 0.000 1.212 395 W CA 1.850 59.353 57.345 0.262 0.000 1.264 395 W CB 0.170 29.731 29.460 0.168 0.000 1.142 395 W HN 0.340 nan 8.180 nan 0.000 0.512 396 E N -0.845 119.801 120.200 0.742 0.000 2.106 396 E HA -0.246 4.106 4.350 0.004 0.000 0.192 396 E C 1.694 178.592 176.600 0.496 0.000 0.984 396 E CA 1.559 58.338 56.400 0.632 0.000 0.806 396 E CB -1.220 28.775 29.700 0.492 0.000 0.750 396 E HN 0.547 nan 8.360 nan 0.000 0.458 397 W N 0.970 122.440 121.300 0.284 0.000 2.354 397 W HA -0.282 4.380 4.660 0.004 0.000 0.315 397 W C 2.282 178.917 176.519 0.193 0.000 1.206 397 W CA 1.649 59.118 57.345 0.206 0.000 1.290 397 W CB -0.616 28.938 29.460 0.158 0.000 1.152 397 W HN 0.077 nan 8.180 nan 0.000 0.489 398 Y N -0.274 120.192 120.300 0.276 0.000 2.114 398 Y HA -0.318 4.235 4.550 0.004 0.000 0.282 398 Y C 2.176 177.953 175.900 -0.206 0.000 1.165 398 Y CA 2.305 60.397 58.100 -0.013 0.000 1.148 398 Y CB -1.513 36.962 38.460 0.026 0.000 0.972 398 Y HN 0.222 nan 8.280 nan 0.000 0.504 399 W N 1.322 122.389 121.300 -0.388 0.000 2.388 399 W HA -0.142 4.520 4.660 0.003 0.000 0.294 399 W C 2.471 178.772 176.519 -0.363 0.000 1.212 399 W CA 2.441 59.455 57.345 -0.552 0.000 1.271 399 W CB -0.263 28.790 29.460 -0.679 0.000 1.126 399 W HN 0.041 nan 8.180 nan 0.000 0.535 400 K N -0.023 120.276 120.400 -0.167 0.000 2.099 400 K HA -0.089 4.233 4.320 0.004 0.000 0.203 400 K C 2.064 178.397 176.600 -0.444 0.000 1.047 400 K CA 0.919 57.022 56.287 -0.306 0.000 0.963 400 K CB -0.122 32.373 32.500 -0.009 0.000 0.759 400 K HN -0.133 nan 8.250 nan 0.000 0.451 401 K N 0.656 120.696 120.400 -0.599 0.000 2.098 401 K HA 0.032 4.355 4.320 0.004 0.000 0.203 401 K C 2.106 178.375 176.600 -0.552 0.000 1.051 401 K CA 0.717 56.581 56.287 -0.706 0.000 0.957 401 K CB 0.057 31.723 32.500 -1.391 0.000 0.738 401 K HN 0.202 nan 8.250 nan 0.000 0.447 402 I N -0.241 119.998 120.570 -0.552 0.000 2.429 402 I HA -0.000 4.172 4.170 0.004 0.000 0.247 402 I C 2.046 177.921 176.117 -0.403 0.000 1.099 402 I CA 1.169 62.236 61.300 -0.388 0.000 1.422 402 I CB -1.374 36.456 38.000 -0.282 0.000 1.112 402 I HN 0.071 nan 8.210 nan 0.000 0.430 403 G N 0.085 108.566 108.800 -0.532 0.000 3.042 403 G HA2 -0.042 3.920 3.960 0.004 0.000 0.212 403 G HA3 -0.042 3.920 3.960 0.004 0.000 0.212 403 G C 0.828 175.409 174.900 -0.530 0.000 1.166 403 G CA -0.148 44.636 45.100 -0.527 0.000 0.767 403 G HN 0.361 nan 8.290 nan 0.000 0.546 404 K N 0.124 120.219 120.400 -0.509 0.000 3.016 404 K HA -0.228 4.095 4.320 0.004 0.000 0.262 404 K C 0.566 176.814 176.600 -0.587 0.000 1.043 404 K CA 0.789 56.809 56.287 -0.445 0.000 0.761 404 K CB -1.316 31.002 32.500 -0.303 0.000 1.230 404 K HN 0.632 nan 8.250 nan 0.000 0.485 405 E N -2.436 117.154 120.200 -1.017 0.000 3.370 405 E HA -0.334 4.018 4.350 0.004 0.000 0.291 405 E C 0.474 176.490 176.600 -0.973 0.000 0.916 405 E CA 1.616 57.031 56.400 -1.642 0.000 0.981 405 E CB -0.722 28.376 29.700 -1.003 0.000 1.498 405 E HN 0.550 nan 8.360 nan 0.000 0.452 406 K N -0.500 119.508 120.400 -0.653 0.000 2.360 406 K HA 0.174 4.497 4.320 0.004 0.000 0.196 406 K C 0.120 176.588 176.600 -0.219 0.000 1.049 406 K CA 0.411 56.510 56.287 -0.314 0.000 1.049 406 K CB 0.878 33.237 32.500 -0.234 0.000 0.881 406 K HN 0.059 nan 8.250 nan 0.000 0.542 407 C N 2.503 121.608 119.300 -0.325 0.000 2.322 407 C HA 0.415 4.878 4.460 0.004 0.000 0.324 407 C C -2.447 172.513 174.990 -0.049 0.000 1.284 407 C CA -2.083 56.826 59.018 -0.182 0.000 1.606 407 C CB 1.046 28.636 27.740 -0.251 0.000 2.251 407 C HN 0.157 nan 8.230 nan 0.000 0.502 408 P HA 0.147 nan 4.420 nan 0.000 0.267 408 P C -0.723 176.603 177.300 0.044 0.000 1.200 408 P CA 0.091 63.268 63.100 0.129 0.000 0.772 408 P CB 0.421 32.185 31.700 0.107 0.000 0.855 409 V N 4.079 124.029 119.914 0.060 0.000 2.347 409 V HA 0.176 4.299 4.120 0.004 0.000 0.280 409 V C 0.251 176.423 176.094 0.130 0.000 1.021 409 V CA -0.674 61.625 62.300 -0.000 0.000 0.847 409 V CB 1.516 33.138 31.823 -0.335 0.000 0.990 409 V HN 0.363 nan 8.190 nan 0.000 0.444 410 V N 1.473 121.429 119.914 0.071 0.000 2.353 410 V HA 0.456 4.579 4.120 0.004 0.000 0.264 410 V C -0.031 176.078 176.094 0.026 0.000 1.049 410 V CA -0.438 61.847 62.300 -0.026 0.000 0.896 410 V CB 1.160 32.834 31.823 -0.249 0.000 1.025 410 V HN 0.794 nan 8.190 nan 0.000 0.475 411 D N 5.230 125.678 120.400 0.080 0.000 2.365 411 D HA 0.254 4.897 4.640 0.004 0.000 0.237 411 D C 0.537 176.850 176.300 0.020 0.000 1.190 411 D CA -0.004 54.068 54.000 0.120 0.000 0.867 411 D CB 1.164 42.075 40.800 0.186 0.000 1.050 411 D HN 0.896 nan 8.370 nan 0.000 0.491 412 T N 1.822 116.378 114.554 0.004 0.000 2.738 412 T HA 0.301 4.654 4.350 0.004 0.000 0.298 412 T C -0.281 174.587 174.700 0.281 0.000 0.962 412 T CA -1.009 61.048 62.100 -0.072 0.000 0.972 412 T CB 0.153 68.662 68.868 -0.597 0.000 0.928 412 T HN 0.391 nan 8.240 nan 0.000 0.474 413 W N 8.224 129.612 121.300 0.147 0.000 2.338 413 W HA 0.628 5.289 4.660 0.002 0.000 0.307 413 W C -1.026 175.744 176.519 0.418 0.000 1.167 413 W CA -0.285 57.183 57.345 0.206 0.000 1.208 413 W CB 0.611 30.123 29.460 0.088 0.000 1.228 413 W HN 0.856 nan 8.180 nan 0.000 0.499 414 W N 4.433 125.174 121.300 -0.933 0.000 2.760 414 W HA 0.573 5.237 4.660 0.007 0.000 0.430 414 W C -1.784 174.266 176.519 -0.781 0.000 1.072 414 W CA -1.084 55.691 57.345 -0.951 0.000 1.181 414 W CB 0.192 29.552 29.460 -0.166 0.000 1.466 414 W HN 0.444 nan 8.180 nan 0.000 0.597 415 Q N -0.633 118.945 119.800 -0.369 0.000 2.626 415 Q HA 0.371 4.713 4.340 0.004 0.000 0.300 415 Q C 0.434 176.403 176.000 -0.052 0.000 0.988 415 Q CA -0.762 54.844 55.803 -0.329 0.000 0.761 415 Q CB 2.492 31.145 28.738 -0.143 0.000 1.494 415 Q HN 0.328 nan 8.270 nan 0.000 0.439 416 T N 0.397 114.943 114.554 -0.015 0.000 2.788 416 T HA -0.144 4.209 4.350 0.004 0.000 0.268 416 T C 0.918 175.836 174.700 0.364 0.000 1.044 416 T CA 1.962 64.175 62.100 0.189 0.000 1.139 416 T CB -0.094 68.871 68.868 0.163 0.000 0.867 416 T HN 0.489 nan 8.240 nan 0.000 0.454 417 E N 0.900 121.236 120.200 0.227 0.000 2.478 417 E HA -0.030 4.323 4.350 0.004 0.000 0.198 417 E C 2.226 178.977 176.600 0.252 0.000 1.046 417 E CA 1.021 57.511 56.400 0.149 0.000 0.870 417 E CB -0.203 29.475 29.700 -0.037 0.000 0.818 417 E HN 0.662 nan 8.360 nan 0.000 0.527 418 T N -4.434 110.381 114.554 0.435 0.000 3.022 418 T HA 0.324 4.677 4.350 0.004 0.000 0.250 418 T C 1.762 176.913 174.700 0.752 0.000 1.060 418 T CA 0.436 62.933 62.100 0.662 0.000 1.013 418 T CB 0.447 69.570 68.868 0.425 0.000 0.982 418 T HN 0.210 nan 8.240 nan 0.000 0.508 419 G N 0.703 109.952 108.800 0.748 0.000 2.507 419 G HA2 -0.008 3.955 3.960 0.004 0.000 0.240 419 G HA3 -0.008 3.955 3.960 0.004 0.000 0.240 419 G C 0.565 175.665 174.900 0.334 0.000 1.119 419 G CA -0.007 45.413 45.100 0.534 0.000 0.664 419 G HN 1.468 nan 8.290 nan 0.000 0.516 420 G N -1.608 107.381 108.800 0.315 0.000 2.663 420 G HA2 0.607 4.570 3.960 0.004 0.000 0.299 420 G HA3 0.607 4.570 3.960 0.004 0.000 0.299 420 G C -0.319 174.447 174.900 -0.224 0.000 1.372 420 G CA -0.642 44.272 45.100 -0.310 0.000 0.781 420 G HN 0.621 nan 8.290 nan 0.000 0.491 421 F N 1.047 120.593 119.950 -0.673 0.000 2.629 421 F HA 0.064 4.593 4.527 0.002 0.000 0.377 421 F C 1.713 177.441 175.800 -0.121 0.000 1.101 421 F CA -0.218 57.444 58.000 -0.564 0.000 1.301 421 F CB 0.565 39.121 39.000 -0.740 0.000 1.062 421 F HN 0.075 nan 8.300 nan 0.000 0.583 422 M N 3.168 122.917 119.600 0.247 0.000 2.925 422 M HA 0.314 4.797 4.480 0.004 0.000 0.249 422 M C 0.135 176.634 176.300 0.330 0.000 1.439 422 M CA 0.783 56.234 55.300 0.252 0.000 1.217 422 M CB 0.355 33.057 32.600 0.170 0.000 1.245 422 M HN 0.355 nan 8.290 nan 0.000 0.552 423 I N 0.389 121.191 120.570 0.387 0.000 2.468 423 I HA 0.414 4.587 4.170 0.004 0.000 0.285 423 I C -0.444 175.747 176.117 0.123 0.000 1.039 423 I CA -0.271 61.167 61.300 0.229 0.000 1.074 423 I CB 2.148 40.243 38.000 0.159 0.000 1.228 423 I HN 0.050 nan 8.210 nan 0.000 0.436 424 T N 6.362 120.912 114.554 -0.007 0.000 2.957 424 T HA 0.461 4.813 4.350 0.004 0.000 0.336 424 T C -2.961 171.626 174.700 -0.190 0.000 1.462 424 T CA -1.317 60.704 62.100 -0.131 0.000 1.073 424 T CB 2.164 70.862 68.868 -0.284 0.000 1.319 424 T HN 0.115 nan 8.240 nan 0.000 0.485 425 P HA 0.476 nan 4.420 nan 0.000 0.274 425 P C -1.096 176.089 177.300 -0.191 0.000 1.231 425 P CA -0.513 62.452 63.100 -0.225 0.000 0.790 425 P CB 0.386 32.005 31.700 -0.135 0.000 0.951 426 L N 4.542 125.655 121.223 -0.184 0.000 2.307 426 L HA 0.378 4.721 4.340 0.004 0.000 0.284 426 L C -1.249 175.588 176.870 -0.055 0.000 1.023 426 L CA -1.740 53.047 54.840 -0.088 0.000 0.810 426 L CB 1.085 43.129 42.059 -0.025 0.000 1.231 426 L HN 0.319 nan 8.230 nan 0.000 0.423 427 P HA -0.089 nan 4.420 nan 0.000 0.218 427 P C 1.084 178.410 177.300 0.043 0.000 1.149 427 P CA 1.142 64.257 63.100 0.025 0.000 0.817 427 P CB 0.395 32.123 31.700 0.046 0.000 0.785 428 G N -0.956 107.875 108.800 0.051 0.000 2.880 428 G HA2 0.201 4.163 3.960 0.004 0.000 0.209 428 G HA3 0.201 4.163 3.960 0.004 0.000 0.209 428 G C 1.361 176.287 174.900 0.043 0.000 1.157 428 G CA 0.675 45.809 45.100 0.058 0.000 0.779 428 G HN 0.391 nan 8.290 nan 0.000 0.539 429 A N -0.317 122.510 122.820 0.012 0.000 2.074 429 A HA 0.591 4.913 4.320 0.004 0.000 0.200 429 A C 0.552 178.089 177.584 -0.077 0.000 1.335 429 A CA 0.106 52.136 52.037 -0.010 0.000 0.922 429 A CB 0.508 19.514 19.000 0.010 0.000 0.972 429 A HN 0.205 nan 8.150 nan 0.000 0.475 430 I N 1.313 121.817 120.570 -0.111 0.000 2.436 430 I HA 0.238 4.411 4.170 0.004 0.000 0.289 430 I C -0.789 175.320 176.117 -0.013 0.000 1.010 430 I CA -0.517 60.701 61.300 -0.136 0.000 1.098 430 I CB 2.010 39.819 38.000 -0.320 0.000 1.266 430 I HN 0.196 nan 8.210 nan 0.000 0.434 431 E N 6.228 126.466 120.200 0.062 0.000 2.373 431 E HA 0.332 4.685 4.350 0.004 0.000 0.267 431 E C -0.974 175.717 176.600 0.152 0.000 1.032 431 E CA -0.380 56.084 56.400 0.106 0.000 0.889 431 E CB 1.147 30.900 29.700 0.088 0.000 0.984 431 E HN 0.395 nan 8.360 nan 0.000 0.425 432 L N 2.911 124.215 121.223 0.136 0.000 2.312 432 L HA 0.366 4.708 4.340 0.004 0.000 0.281 432 L C 0.122 176.971 176.870 -0.035 0.000 1.070 432 L CA -0.525 54.373 54.840 0.098 0.000 0.805 432 L CB 0.603 42.781 42.059 0.198 0.000 1.174 432 L HN 0.274 nan 8.230 nan 0.000 0.434 433 K N 2.383 122.700 120.400 -0.139 0.000 2.307 433 K HA 0.542 4.864 4.320 0.004 0.000 0.263 433 K C -0.298 175.906 176.600 -0.660 0.000 0.973 433 K CA -0.618 55.487 56.287 -0.303 0.000 0.846 433 K CB 1.963 34.367 32.500 -0.160 0.000 1.100 433 K HN 0.699 nan 8.250 nan 0.000 0.438 434 A N 2.146 124.416 122.820 -0.916 0.000 2.537 434 A HA 0.346 4.668 4.320 0.004 0.000 0.260 434 A C 1.240 178.508 177.584 -0.527 0.000 1.082 434 A CA 1.134 52.334 52.037 -1.394 0.000 0.765 434 A CB -0.888 17.581 19.000 -0.885 0.000 1.019 434 A HN 1.015 nan 8.150 nan 0.000 0.507 435 G N 1.178 109.680 108.800 -0.496 0.000 2.201 435 G HA2 -0.131 3.832 3.960 0.004 0.000 0.212 435 G HA3 -0.131 3.832 3.960 0.004 0.000 0.212 435 G C 0.470 175.177 174.900 -0.323 0.000 0.994 435 G CA 0.393 45.461 45.100 -0.055 0.000 0.644 435 G HN 1.732 nan 8.290 nan 0.000 0.508 436 S N 0.144 115.353 115.700 -0.818 0.000 2.451 436 S HA 0.739 5.211 4.470 0.004 0.000 0.301 436 S C 1.438 175.775 174.600 -0.439 0.000 1.116 436 S CA 0.636 58.215 58.200 -1.036 0.000 1.093 436 S CB 1.421 63.586 63.200 -1.724 0.000 1.017 436 S HN 1.496 nan 8.310 nan 0.000 0.482 437 A N 3.839 126.489 122.820 -0.283 0.000 2.015 437 A HA 0.209 4.532 4.320 0.004 0.000 0.219 437 A C 1.534 178.979 177.584 -0.232 0.000 1.163 437 A CA 2.022 53.981 52.037 -0.130 0.000 0.646 437 A CB -1.388 17.627 19.000 0.026 0.000 0.806 437 A HN 2.018 nan 8.150 nan 0.000 0.448 438 T N -3.505 110.828 114.554 -0.368 0.000 14.178 438 T HA -0.221 4.131 4.350 0.004 0.000 0.419 438 T C 0.194 174.631 174.700 -0.439 0.000 1.441 438 T CA 0.917 62.606 62.100 -0.685 0.000 2.332 438 T CB -1.142 67.184 68.868 -0.903 0.000 2.757 438 T HN 0.726 nan 8.240 nan 0.000 0.240 439 R N 2.706 122.948 120.500 -0.429 0.000 2.732 439 R HA 0.661 5.004 4.340 0.004 0.000 0.278 439 R C -2.626 173.622 176.300 -0.087 0.000 0.976 439 R CA -2.191 53.757 56.100 -0.252 0.000 0.963 439 R CB 1.587 31.624 30.300 -0.438 0.000 1.150 439 R HN 0.545 nan 8.270 nan 0.000 0.478 440 P HA -0.037 nan 4.420 nan 0.000 0.269 440 P C -0.587 176.848 177.300 0.226 0.000 1.209 440 P CA -0.018 63.153 63.100 0.119 0.000 0.776 440 P CB 0.436 32.237 31.700 0.169 0.000 0.876 441 F N 2.367 122.406 119.950 0.147 0.000 2.403 441 F HA 0.277 4.811 4.527 0.012 0.000 0.320 441 F C 0.525 176.513 175.800 0.315 0.000 1.176 441 F CA -0.464 57.594 58.000 0.096 0.000 1.206 441 F CB 0.002 39.076 39.000 0.123 0.000 1.235 441 F HN 0.179 nan 8.300 nan 0.000 0.565 442 F N 2.737 122.452 119.950 -0.392 0.000 2.548 442 F HA 0.200 4.733 4.527 0.009 0.000 0.403 442 F C 1.419 177.427 175.800 0.347 0.000 1.004 442 F CA 0.766 58.606 58.000 -0.267 0.000 1.177 442 F CB -0.631 37.999 39.000 -0.616 0.000 0.974 442 F HN 0.723 nan 8.300 nan 0.000 0.541 443 G N 1.918 110.894 108.800 0.293 0.000 2.175 443 G HA2 -0.227 3.736 3.960 0.004 0.000 0.244 443 G HA3 -0.227 3.736 3.960 0.004 0.000 0.244 443 G C -0.450 174.710 174.900 0.433 0.000 0.982 443 G CA -0.200 45.208 45.100 0.514 0.000 0.641 443 G HN 0.596 nan 8.290 nan 0.000 0.527 444 V N 1.640 121.787 119.914 0.390 0.000 2.347 444 V HA 0.484 4.607 4.120 0.004 0.000 0.280 444 V C 0.167 176.464 176.094 0.338 0.000 1.021 444 V CA -0.392 62.094 62.300 0.311 0.000 0.847 444 V CB 1.518 33.494 31.823 0.256 0.000 0.990 444 V HN 0.378 nan 8.190 nan 0.000 0.444 445 Q N 6.936 126.905 119.800 0.281 0.000 2.509 445 Q HA 0.331 4.674 4.340 0.004 0.000 0.236 445 Q C -2.526 173.602 176.000 0.213 0.000 1.073 445 Q CA -1.750 54.218 55.803 0.275 0.000 0.867 445 Q CB 1.831 30.723 28.738 0.256 0.000 1.181 445 Q HN 0.499 nan 8.270 nan 0.000 0.526 446 P HA 0.353 nan 4.420 nan 0.000 0.276 446 P C -1.002 176.367 177.300 0.115 0.000 1.244 446 P CA -0.154 62.955 63.100 0.015 0.000 0.801 446 P CB 1.346 32.820 31.700 -0.376 0.000 1.006 447 A N 1.502 124.386 122.820 0.107 0.000 2.594 447 A HA 0.732 5.055 4.320 0.004 0.000 0.291 447 A C -1.450 176.191 177.584 0.096 0.000 1.105 447 A CA -0.764 51.356 52.037 0.138 0.000 0.694 447 A CB 0.993 20.064 19.000 0.118 0.000 1.291 447 A HN 0.425 nan 8.150 nan 0.000 0.410 448 L N 1.127 122.404 121.223 0.090 0.000 2.341 448 L HA 0.729 5.071 4.340 0.004 0.000 0.278 448 L C -0.407 176.425 176.870 -0.063 0.000 1.005 448 L CA -1.060 53.797 54.840 0.028 0.000 0.818 448 L CB 1.747 43.852 42.059 0.077 0.000 1.259 448 L HN 0.718 nan 8.230 nan 0.000 0.418 449 V N -1.496 118.299 119.914 -0.199 0.000 2.914 449 V HA 0.626 4.748 4.120 0.004 0.000 0.314 449 V C -0.644 175.272 176.094 -0.297 0.000 1.084 449 V CA -0.885 61.229 62.300 -0.310 0.000 0.963 449 V CB 1.951 33.404 31.823 -0.616 0.000 1.025 449 V HN 0.770 nan 8.190 nan 0.000 0.432 450 D N 2.080 122.365 120.400 -0.192 0.000 2.398 450 D HA 0.155 4.798 4.640 0.004 0.000 0.264 450 D C 0.719 176.936 176.300 -0.139 0.000 1.263 450 D CA -0.344 53.588 54.000 -0.114 0.000 1.037 450 D CB 0.099 40.894 40.800 -0.009 0.000 1.101 450 D HN 0.426 nan 8.370 nan 0.000 0.551 451 N N -0.677 118.011 118.700 -0.020 0.000 2.453 451 N HA -0.104 4.639 4.740 0.004 0.000 0.183 451 N C 0.660 176.216 175.510 0.075 0.000 1.041 451 N CA 0.703 53.795 53.050 0.069 0.000 0.900 451 N CB -0.122 38.390 38.487 0.042 0.000 0.961 451 N HN 0.449 nan 8.380 nan 0.000 0.443 452 E N -0.921 119.224 120.200 -0.092 0.000 2.474 452 E HA 0.254 4.607 4.350 0.004 0.000 0.195 452 E C 1.129 177.526 176.600 -0.338 0.000 1.039 452 E CA 0.183 56.428 56.400 -0.257 0.000 0.881 452 E CB -0.044 29.368 29.700 -0.480 0.000 0.970 452 E HN 0.289 nan 8.360 nan 0.000 0.486 453 G N 0.904 109.572 108.800 -0.220 0.000 2.176 453 G HA2 -0.266 3.696 3.960 0.004 0.000 0.253 453 G HA3 -0.266 3.696 3.960 0.004 0.000 0.253 453 G C -0.241 174.534 174.900 -0.208 0.000 0.979 453 G CA -0.152 44.810 45.100 -0.230 0.000 0.641 453 G HN 0.340 nan 8.290 nan 0.000 0.530 454 H N 1.397 120.424 119.070 -0.072 0.000 2.955 454 H HA 0.322 4.880 4.556 0.004 0.000 0.290 454 H C -2.195 173.085 175.328 -0.079 0.000 1.047 454 H CA -1.637 54.380 56.048 -0.051 0.000 1.484 454 H CB 0.382 30.127 29.762 -0.029 0.000 1.501 454 H HN 0.182 nan 8.280 nan 0.000 0.521 455 P HA -0.034 nan 4.420 nan 0.000 0.264 455 P C -0.036 177.281 177.300 0.029 0.000 1.183 455 P CA 0.239 63.350 63.100 0.020 0.000 0.763 455 P CB 0.650 32.374 31.700 0.039 0.000 0.807 456 Q N 2.337 122.145 119.800 0.014 0.000 2.341 456 Q HA 0.377 4.720 4.340 0.004 0.000 0.268 456 Q C -0.441 175.570 176.000 0.019 0.000 1.013 456 Q CA -0.457 55.354 55.803 0.013 0.000 0.798 456 Q CB 1.863 30.603 28.738 0.004 0.000 1.253 456 Q HN 0.397 nan 8.270 nan 0.000 0.457 457 E N 0.249 120.457 120.200 0.013 0.000 2.222 457 E HA 0.670 5.022 4.350 0.004 0.000 0.272 457 E C 0.413 177.011 176.600 -0.003 0.000 0.982 457 E CA 0.486 56.895 56.400 0.014 0.000 0.842 457 E CB 1.361 31.072 29.700 0.018 0.000 1.144 457 E HN 0.731 nan 8.360 nan 0.000 0.397 458 G N 1.669 110.464 108.800 -0.008 0.000 2.539 458 G HA2 -0.204 3.758 3.960 0.004 0.000 0.256 458 G HA3 -0.204 3.758 3.960 0.004 0.000 0.256 458 G C -0.227 174.646 174.900 -0.046 0.000 1.233 458 G CA -0.367 44.718 45.100 -0.026 0.000 0.936 458 G HN 0.901 nan 8.290 nan 0.000 0.571 459 A N 0.235 123.025 122.820 -0.050 0.000 2.544 459 A HA 0.689 5.012 4.320 0.004 0.000 0.301 459 A C 0.631 178.182 177.584 -0.055 0.000 1.368 459 A CA 1.812 53.811 52.037 -0.063 0.000 1.045 459 A CB -0.215 18.744 19.000 -0.068 0.000 1.129 459 A HN 2.029 nan 8.150 nan 0.000 0.540 460 T N 1.067 115.591 114.554 -0.051 0.000 2.645 460 T HA 0.613 4.966 4.350 0.004 0.000 0.300 460 T C -1.526 173.159 174.700 -0.025 0.000 1.210 460 T CA -0.158 61.920 62.100 -0.036 0.000 1.034 460 T CB 1.196 70.051 68.868 -0.022 0.000 1.537 460 T HN 0.813 nan 8.240 nan 0.000 0.492 461 E N -0.274 119.918 120.200 -0.012 0.000 2.367 461 E HA 0.744 5.096 4.350 0.004 0.000 0.273 461 E C -0.368 176.238 176.600 0.010 0.000 0.903 461 E CA -1.179 55.225 56.400 0.006 0.000 0.764 461 E CB 1.957 31.657 29.700 0.000 0.000 1.252 461 E HN 0.972 nan 8.360 nan 0.000 0.446 462 G N 0.927 109.740 108.800 0.022 0.000 2.490 462 G HA2 0.187 4.149 3.960 0.004 0.000 0.308 462 G HA3 0.187 4.149 3.960 0.004 0.000 0.308 462 G C -1.425 173.490 174.900 0.024 0.000 1.286 462 G CA -1.030 44.071 45.100 0.002 0.000 0.825 462 G HN 0.441 nan 8.290 nan 0.000 0.479 463 N N 0.507 119.198 118.700 -0.016 0.000 2.470 463 N HA 0.241 4.983 4.740 0.004 0.000 0.268 463 N C -0.601 174.964 175.510 0.092 0.000 1.136 463 N CA -0.269 52.834 53.050 0.089 0.000 0.961 463 N CB 2.070 40.541 38.487 -0.025 0.000 1.067 463 N HN 0.365 nan 8.380 nan 0.000 0.468 464 L N 4.446 125.780 121.223 0.185 0.000 2.325 464 L HA 0.208 4.550 4.340 0.004 0.000 0.284 464 L C -0.236 176.760 176.870 0.209 0.000 1.089 464 L CA -0.439 54.446 54.840 0.075 0.000 0.836 464 L CB 0.250 42.230 42.059 -0.132 0.000 1.184 464 L HN 0.301 nan 8.230 nan 0.000 0.444 465 V N 3.717 123.731 119.914 0.166 0.000 2.769 465 V HA 0.666 4.789 4.120 0.004 0.000 0.312 465 V C -0.234 176.022 176.094 0.270 0.000 1.058 465 V CA -0.879 61.576 62.300 0.258 0.000 0.952 465 V CB 2.081 34.023 31.823 0.197 0.000 1.019 465 V HN 0.485 nan 8.190 nan 0.000 0.445 466 I N 3.498 124.326 120.570 0.430 0.000 2.378 466 I HA 0.381 4.553 4.170 0.004 0.000 0.291 466 I C 1.292 177.771 176.117 0.602 0.000 0.992 466 I CA -0.046 61.528 61.300 0.457 0.000 1.154 466 I CB 1.348 39.615 38.000 0.445 0.000 1.315 466 I HN 0.987 nan 8.210 nan 0.000 0.448 467 T N -0.074 114.772 114.554 0.486 0.000 3.107 467 T HA 0.157 4.510 4.350 0.004 0.000 0.249 467 T C 0.392 175.363 174.700 0.452 0.000 1.096 467 T CA 0.215 62.595 62.100 0.467 0.000 1.012 467 T CB 0.295 69.339 68.868 0.294 0.000 0.977 467 T HN 0.546 nan 8.240 nan 0.000 0.527 468 D N -0.171 120.527 120.400 0.496 0.000 2.643 468 D HA 0.434 5.076 4.640 0.004 0.000 0.283 468 D C -1.168 175.385 176.300 0.421 0.000 1.242 468 D CA -0.487 53.599 54.000 0.143 0.000 0.863 468 D CB 2.220 43.098 40.800 0.130 0.000 1.382 468 D HN 0.072 nan 8.370 nan 0.000 0.444 469 S N -0.290 115.477 115.700 0.112 0.000 2.645 469 S HA 0.752 5.225 4.470 0.004 0.000 0.266 469 S C -1.037 173.950 174.600 0.644 0.000 1.258 469 S CA -0.426 58.010 58.200 0.394 0.000 0.990 469 S CB 0.360 63.656 63.200 0.160 0.000 0.967 469 S HN 0.368 nan 8.310 nan 0.000 0.556 470 W N 0.384 121.778 121.300 0.157 0.000 3.118 470 W HA 0.534 5.196 4.660 0.003 0.000 0.328 470 W C -2.947 172.891 176.519 -1.134 0.000 1.239 470 W CA -1.924 55.172 57.345 -0.415 0.000 1.176 470 W CB 0.074 29.305 29.460 -0.381 0.000 1.433 470 W HN 0.340 nan 8.180 nan 0.000 0.562 471 P HA -0.058 nan 4.420 nan 0.000 0.218 471 P C 1.530 178.204 177.300 -1.044 0.000 1.148 471 P CA 2.600 64.417 63.100 -2.137 0.000 0.822 471 P CB 0.106 30.808 31.700 -1.662 0.000 0.784 472 G N -1.231 107.047 108.800 -0.870 0.000 3.042 472 G HA2 -0.069 3.893 3.960 0.004 0.000 0.212 472 G HA3 -0.069 3.893 3.960 0.004 0.000 0.212 472 G C 0.451 175.255 174.900 -0.159 0.000 1.166 472 G CA -0.140 44.788 45.100 -0.287 0.000 0.767 472 G HN 0.271 nan 8.290 nan 0.000 0.546 473 Q N 1.099 120.437 119.800 -0.770 0.000 2.274 473 Q HA 0.425 4.768 4.340 0.004 0.000 0.280 473 Q C 0.637 176.496 176.000 -0.235 0.000 1.047 473 Q CA -0.511 54.866 55.803 -0.710 0.000 0.907 473 Q CB 0.588 28.463 28.738 -1.440 0.000 1.171 473 Q HN 0.245 nan 8.270 nan 0.000 0.381 474 A N 4.514 127.219 122.820 -0.193 0.000 2.561 474 A HA -0.063 4.260 4.320 0.004 0.000 0.234 474 A C 0.562 177.953 177.584 -0.321 0.000 1.055 474 A CA 0.046 51.757 52.037 -0.543 0.000 0.756 474 A CB 0.351 19.035 19.000 -0.527 0.000 0.986 474 A HN 0.905 nan 8.150 nan 0.000 0.505 475 R N 0.244 120.488 120.500 -0.427 0.000 2.189 475 R HA 0.157 4.499 4.340 0.004 0.000 0.203 475 R C 0.623 176.461 176.300 -0.769 0.000 1.012 475 R CA 1.191 57.066 56.100 -0.374 0.000 1.015 475 R CB -0.345 29.811 30.300 -0.240 0.000 0.938 475 R HN 0.835 nan 8.270 nan 0.000 0.472 476 T N -0.799 113.160 114.554 -0.991 0.000 2.663 476 T HA 0.424 4.776 4.350 0.004 0.000 0.305 476 T C -1.791 172.588 174.700 -0.535 0.000 1.660 476 T CA -0.667 60.759 62.100 -1.123 0.000 0.976 476 T CB 0.645 69.333 68.868 -0.300 0.000 1.705 476 T HN -0.065 nan 8.240 nan 0.000 0.494 477 L N 2.527 123.670 121.223 -0.133 0.000 2.289 477 L HA 0.561 4.903 4.340 0.004 0.000 0.285 477 L C 0.062 176.962 176.870 0.049 0.000 1.049 477 L CA -0.961 53.921 54.840 0.070 0.000 0.804 477 L CB 0.904 43.095 42.059 0.220 0.000 1.195 477 L HN 0.678 nan 8.230 nan 0.000 0.428 478 F N 3.094 122.997 119.950 -0.079 0.000 2.612 478 F HA 0.195 4.725 4.527 0.004 0.000 0.389 478 F C 1.379 177.180 175.800 0.002 0.000 1.055 478 F CA 1.132 59.096 58.000 -0.060 0.000 1.232 478 F CB 0.393 39.345 39.000 -0.080 0.000 1.044 478 F HN 0.771 nan 8.300 nan 0.000 0.560 479 G N 3.856 112.226 108.800 -0.716 0.000 2.186 479 G HA2 -0.321 3.641 3.960 0.004 0.000 0.266 479 G HA3 -0.321 3.641 3.960 0.004 0.000 0.266 479 G C -0.090 174.714 174.900 -0.160 0.000 0.982 479 G CA 0.494 45.295 45.100 -0.499 0.000 0.670 479 G HN 0.886 nan 8.290 nan 0.000 0.533 480 D N -1.826 118.542 120.400 -0.053 0.000 2.934 480 D HA 0.262 4.904 4.640 0.004 0.000 0.249 480 D C 0.736 177.114 176.300 0.130 0.000 1.293 480 D CA -0.501 53.526 54.000 0.043 0.000 0.812 480 D CB -0.117 40.718 40.800 0.059 0.000 1.439 480 D HN 0.181 nan 8.370 nan 0.000 0.555 481 H N 1.287 120.377 119.070 0.032 0.000 2.423 481 H HA 0.051 4.609 4.556 0.004 0.000 0.297 481 H C 1.375 176.820 175.328 0.194 0.000 1.075 481 H CA 1.890 58.004 56.048 0.109 0.000 1.342 481 H CB 0.665 30.445 29.762 0.029 0.000 1.395 481 H HN 0.349 nan 8.280 nan 0.000 0.530 482 E N -0.397 119.873 120.200 0.115 0.000 2.110 482 E HA -0.194 4.158 4.350 0.004 0.000 0.193 482 E C 2.233 178.858 176.600 0.041 0.000 0.988 482 E CA 0.818 57.251 56.400 0.054 0.000 0.804 482 E CB 0.056 29.788 29.700 0.054 0.000 0.745 482 E HN 0.214 nan 8.360 nan 0.000 0.458 483 R N 0.654 121.194 120.500 0.068 0.000 2.096 483 R HA -0.150 4.193 4.340 0.004 0.000 0.235 483 R C 1.935 178.282 176.300 0.079 0.000 1.127 483 R CA 1.105 57.237 56.100 0.053 0.000 0.968 483 R CB -0.700 29.640 30.300 0.066 0.000 0.861 483 R HN 0.173 nan 8.270 nan 0.000 0.440 484 F N 1.420 121.372 119.950 0.004 0.000 2.095 484 F HA -0.184 4.345 4.527 0.004 0.000 0.298 484 F C 2.125 178.048 175.800 0.206 0.000 1.104 484 F CA 2.294 60.367 58.000 0.122 0.000 1.232 484 F CB -0.505 38.530 39.000 0.059 0.000 0.987 484 F HN 0.257 nan 8.300 nan 0.000 0.475 485 E N -0.276 119.922 120.200 -0.004 0.000 2.051 485 E HA -0.315 4.038 4.350 0.004 0.000 0.192 485 E C 2.352 178.969 176.600 0.028 0.000 0.991 485 E CA 1.526 57.938 56.400 0.021 0.000 0.799 485 E CB -0.420 29.257 29.700 -0.039 0.000 0.748 485 E HN 0.649 nan 8.360 nan 0.000 0.449 486 Q N -0.492 119.287 119.800 -0.036 0.000 2.084 486 Q HA -0.137 4.205 4.340 0.004 0.000 0.202 486 Q C 1.979 177.873 176.000 -0.175 0.000 0.978 486 Q CA 2.080 57.837 55.803 -0.077 0.000 0.844 486 Q CB 0.073 28.774 28.738 -0.061 0.000 0.898 486 Q HN 0.307 nan 8.270 nan 0.000 0.426 487 T N -0.723 113.650 114.554 -0.302 0.000 2.812 487 T HA -0.109 4.243 4.350 0.004 0.000 0.264 487 T C 0.850 175.113 174.700 -0.728 0.000 1.042 487 T CA 1.348 63.097 62.100 -0.586 0.000 1.140 487 T CB -0.149 68.182 68.868 -0.895 0.000 0.870 487 T HN 0.418 nan 8.240 nan 0.000 0.445 488 Y N -1.520 118.551 120.300 -0.382 0.000 2.444 488 Y HA 0.407 4.960 4.550 0.005 0.000 0.252 488 Y C 1.049 176.419 175.900 -0.882 0.000 1.091 488 Y CA -0.423 57.229 58.100 -0.745 0.000 1.276 488 Y CB 0.491 38.303 38.460 -1.081 0.000 1.170 488 Y HN 0.132 nan 8.280 nan 0.000 0.517 489 F N -1.581 118.295 119.950 -0.123 0.000 2.729 489 F HA 0.178 4.707 4.527 0.003 0.000 0.315 489 F C 1.852 177.611 175.800 -0.067 0.000 1.102 489 F CA 0.091 58.035 58.000 -0.094 0.000 1.204 489 F CB 0.432 39.351 39.000 -0.135 0.000 1.052 489 F HN -0.039 nan 8.300 nan 0.000 0.551 490 S N -1.789 113.913 115.700 0.004 0.000 2.497 490 S HA -0.026 4.447 4.470 0.004 0.000 0.221 490 S C 1.743 176.256 174.600 -0.145 0.000 1.037 490 S CA 0.830 59.006 58.200 -0.040 0.000 0.920 490 S CB -0.555 62.612 63.200 -0.056 0.000 0.800 490 S HN 0.135 nan 8.310 nan 0.000 0.505 491 T N 1.675 116.064 114.554 -0.275 0.000 2.674 491 T HA 0.150 4.502 4.350 0.004 0.000 0.265 491 T C -0.059 174.188 174.700 -0.755 0.000 1.039 491 T CA 1.012 62.737 62.100 -0.625 0.000 1.150 491 T CB -0.440 67.875 68.868 -0.922 0.000 0.864 491 T HN 0.487 nan 8.240 nan 0.000 0.427 492 F N 1.702 121.570 119.950 -0.138 0.000 2.366 492 F HA 0.402 4.932 4.527 0.005 0.000 0.366 492 F C 0.248 176.055 175.800 0.013 0.000 1.096 492 F CA -1.264 56.675 58.000 -0.102 0.000 1.060 492 F CB 0.941 39.840 39.000 -0.169 0.000 1.282 492 F HN -0.303 nan 8.300 nan 0.000 0.450 493 K N 2.692 123.199 120.400 0.177 0.000 2.448 493 K HA -0.026 4.297 4.320 0.004 0.000 0.278 493 K C 0.802 177.542 176.600 0.232 0.000 1.009 493 K CA 0.277 56.664 56.287 0.167 0.000 0.995 493 K CB 0.175 32.744 32.500 0.115 0.000 0.917 493 K HN 0.678 nan 8.250 nan 0.000 0.481 494 N N 1.122 119.993 118.700 0.285 0.000 2.800 494 N HA -0.184 4.559 4.740 0.004 0.000 0.250 494 N C -1.192 174.644 175.510 0.542 0.000 1.078 494 N CA 1.214 54.491 53.050 0.379 0.000 0.804 494 N CB -0.428 38.219 38.487 0.267 0.000 1.135 494 N HN 0.536 nan 8.380 nan 0.000 0.565 495 M N 0.040 119.932 119.600 0.487 0.000 2.484 495 M HA 0.194 4.676 4.480 0.004 0.000 0.289 495 M C -0.632 175.814 176.300 0.243 0.000 1.206 495 M CA -0.726 54.863 55.300 0.482 0.000 0.892 495 M CB 2.206 35.020 32.600 0.358 0.000 1.712 495 M HN 0.083 nan 8.290 nan 0.000 0.462 496 Y N 2.626 122.916 120.300 -0.018 0.000 2.404 496 Y HA 0.400 4.952 4.550 0.004 0.000 0.344 496 Y C -1.374 174.566 175.900 0.066 0.000 0.995 496 Y CA -0.527 57.360 58.100 -0.354 0.000 1.201 496 Y CB 0.364 38.675 38.460 -0.247 0.000 1.151 496 Y HN 0.492 nan 8.280 nan 0.000 0.517 497 F N 6.387 125.931 119.950 -0.678 0.000 2.411 497 F HA 0.245 4.774 4.527 0.004 0.000 0.355 497 F C 1.230 176.653 175.800 -0.629 0.000 1.117 497 F CA -0.896 56.876 58.000 -0.381 0.000 1.139 497 F CB 0.979 39.914 39.000 -0.109 0.000 1.120 497 F HN 0.622 nan 8.300 nan 0.000 0.493 498 S N 3.633 119.041 115.700 -0.486 0.000 2.453 498 S HA 0.137 4.609 4.470 0.004 0.000 0.231 498 S C 1.702 176.026 174.600 -0.459 0.000 1.005 498 S CA 0.625 58.658 58.200 -0.279 0.000 0.949 498 S CB -0.680 62.705 63.200 0.308 0.000 0.774 498 S HN 1.752 nan 8.310 nan 0.000 0.510 499 G N 0.582 108.652 108.800 -1.215 0.000 2.176 499 G HA2 -0.183 3.780 3.960 0.004 0.000 0.253 499 G HA3 -0.183 3.780 3.960 0.004 0.000 0.253 499 G C -0.330 174.395 174.900 -0.291 0.000 0.979 499 G CA 0.276 44.819 45.100 -0.928 0.000 0.641 499 G HN 0.569 nan 8.290 nan 0.000 0.530 500 D N 0.306 120.640 120.400 -0.110 0.000 2.228 500 D HA 0.584 5.226 4.640 0.004 0.000 0.247 500 D C 0.724 177.076 176.300 0.087 0.000 0.995 500 D CA 0.646 54.671 54.000 0.043 0.000 0.903 500 D CB 1.490 42.342 40.800 0.086 0.000 1.205 500 D HN 0.356 nan 8.370 nan 0.000 0.459 501 G N -0.686 108.156 108.800 0.070 0.000 2.434 501 G HA2 0.652 4.615 3.960 0.004 0.000 0.330 501 G HA3 0.652 4.615 3.960 0.004 0.000 0.330 501 G C -1.143 173.767 174.900 0.016 0.000 1.155 501 G CA -0.395 44.745 45.100 0.068 0.000 0.917 501 G HN 0.519 nan 8.290 nan 0.000 0.493 502 A N 0.995 123.837 122.820 0.036 0.000 2.604 502 A HA 0.843 5.166 4.320 0.004 0.000 0.295 502 A C -0.404 177.243 177.584 0.105 0.000 1.067 502 A CA -0.935 51.141 52.037 0.064 0.000 0.683 502 A CB 1.537 20.557 19.000 0.033 0.000 1.281 502 A HN 1.118 nan 8.150 nan 0.000 0.407 503 R N 0.526 121.110 120.500 0.139 0.000 2.732 503 R HA 0.828 5.170 4.340 0.004 0.000 0.278 503 R C -0.339 176.027 176.300 0.110 0.000 0.976 503 R CA -0.803 55.353 56.100 0.093 0.000 0.963 503 R CB 1.625 31.927 30.300 0.004 0.000 1.150 503 R HN 0.670 nan 8.270 nan 0.000 0.478 504 R N 1.604 122.079 120.500 -0.043 0.000 2.387 504 R HA 0.161 4.503 4.340 0.004 0.000 0.314 504 R C -0.944 175.308 176.300 -0.081 0.000 0.958 504 R CA -0.656 55.312 56.100 -0.220 0.000 0.846 504 R CB 1.032 31.033 30.300 -0.498 0.000 1.147 504 R HN 0.925 nan 8.270 nan 0.000 0.447 505 D N 2.325 122.730 120.400 0.009 0.000 2.478 505 D HA 0.001 4.643 4.640 0.004 0.000 0.269 505 D C 0.572 176.838 176.300 -0.057 0.000 1.232 505 D CA -0.366 53.622 54.000 -0.020 0.000 1.059 505 D CB 0.589 41.418 40.800 0.049 0.000 1.104 505 D HN 0.474 nan 8.370 nan 0.000 0.566 506 E N -0.469 119.685 120.200 -0.077 0.000 2.338 506 E HA -0.137 4.215 4.350 0.004 0.000 0.197 506 E C 0.393 176.954 176.600 -0.066 0.000 1.007 506 E CA 0.739 57.096 56.400 -0.072 0.000 0.849 506 E CB -0.228 29.426 29.700 -0.078 0.000 0.774 506 E HN 0.484 nan 8.360 nan 0.000 0.506 507 D N 0.066 120.414 120.400 -0.086 0.000 2.340 507 D HA 0.071 4.714 4.640 0.004 0.000 0.220 507 D C 1.184 177.524 176.300 0.066 0.000 1.039 507 D CA 0.818 54.773 54.000 -0.074 0.000 0.866 507 D CB 0.585 41.206 40.800 -0.299 0.000 0.913 507 D HN 0.351 nan 8.370 nan 0.000 0.523 508 G N 0.541 109.360 108.800 0.030 0.000 2.143 508 G HA2 -0.287 3.676 3.960 0.004 0.000 0.249 508 G HA3 -0.287 3.676 3.960 0.004 0.000 0.249 508 G C -0.104 174.792 174.900 -0.008 0.000 0.981 508 G CA -0.279 44.813 45.100 -0.012 0.000 0.665 508 G HN 0.208 nan 8.290 nan 0.000 0.528 509 Y N 0.080 120.270 120.300 -0.184 0.000 2.319 509 Y HA 0.572 5.124 4.550 0.003 0.000 0.328 509 Y C 0.822 176.569 175.900 -0.256 0.000 1.133 509 Y CA -1.407 56.578 58.100 -0.192 0.000 1.265 509 Y CB 0.342 38.694 38.460 -0.180 0.000 1.218 509 Y HN 0.195 nan 8.280 nan 0.000 0.508 510 Y N 1.221 121.493 120.300 -0.046 0.000 2.308 510 Y HA 0.224 4.775 4.550 0.002 0.000 0.329 510 Y C -0.847 174.943 175.900 -0.183 0.000 1.111 510 Y CA -0.626 57.447 58.100 -0.045 0.000 1.179 510 Y CB 0.646 39.033 38.460 -0.122 0.000 1.201 510 Y HN 0.510 nan 8.280 nan 0.000 0.483 511 W N 4.760 126.103 121.300 0.071 0.000 2.336 511 W HA 0.505 5.168 4.660 0.005 0.000 0.315 511 W C -1.321 175.193 176.519 -0.008 0.000 1.016 511 W CA -0.761 56.597 57.345 0.023 0.000 1.318 511 W CB 0.542 29.997 29.460 -0.008 0.000 1.247 511 W HN 0.246 nan 8.180 nan 0.000 0.414 512 I N 3.197 123.829 120.570 0.104 0.000 2.436 512 I HA 0.033 4.206 4.170 0.004 0.000 0.289 512 I C 1.697 177.861 176.117 0.078 0.000 1.083 512 I CA 0.514 61.809 61.300 -0.008 0.000 1.372 512 I CB 0.817 38.727 38.000 -0.150 0.000 1.408 512 I HN 0.555 nan 8.210 nan 0.000 0.516 513 T N 1.763 116.356 114.554 0.065 0.000 3.051 513 T HA 0.531 4.884 4.350 0.004 0.000 0.255 513 T C 0.838 175.576 174.700 0.064 0.000 1.085 513 T CA 0.301 62.445 62.100 0.074 0.000 1.109 513 T CB -0.038 68.866 68.868 0.060 0.000 0.921 513 T HN 0.929 nan 8.240 nan 0.000 0.488 514 G N 1.135 109.972 108.800 0.061 0.000 2.343 514 G HA2 0.165 4.128 3.960 0.004 0.000 0.465 514 G HA3 0.165 4.128 3.960 0.004 0.000 0.465 514 G C -1.569 173.370 174.900 0.065 0.000 1.282 514 G CA -1.307 43.834 45.100 0.069 0.000 0.996 514 G HN 0.365 nan 8.290 nan 0.000 0.521 515 R N -0.057 120.478 120.500 0.058 0.000 2.585 515 R HA 0.241 4.584 4.340 0.004 0.000 0.275 515 R C 1.610 177.941 176.300 0.052 0.000 1.018 515 R CA 0.551 56.677 56.100 0.043 0.000 1.072 515 R CB 0.583 30.899 30.300 0.026 0.000 0.953 515 R HN 1.352 nan 8.270 nan 0.000 0.419 516 V N -1.779 118.177 119.914 0.069 0.000 3.578 516 V HA 0.055 4.177 4.120 0.004 0.000 0.290 516 V C 0.540 176.692 176.094 0.097 0.000 1.376 516 V CA -0.025 62.337 62.300 0.104 0.000 1.083 516 V CB -0.295 31.636 31.823 0.180 0.000 0.911 516 V HN 0.628 nan 8.190 nan 0.000 0.433 517 D N -0.150 120.284 120.400 0.057 0.000 2.539 517 D HA 0.195 4.837 4.640 0.004 0.000 0.280 517 D C -0.286 176.028 176.300 0.024 0.000 1.208 517 D CA -0.715 53.307 54.000 0.037 0.000 1.088 517 D CB 0.160 40.956 40.800 -0.007 0.000 1.149 517 D HN 0.062 nan 8.370 nan 0.000 0.596 518 D N -0.503 119.906 120.400 0.015 0.000 3.060 518 D HA 0.225 4.868 4.640 0.004 0.000 0.245 518 D C -0.561 175.751 176.300 0.020 0.000 1.274 518 D CA -0.115 53.897 54.000 0.020 0.000 0.864 518 D CB 0.106 40.918 40.800 0.019 0.000 1.073 518 D HN 0.051 nan 8.370 nan 0.000 0.473 519 V N 1.033 120.957 119.914 0.016 0.000 2.581 519 V HA 0.403 4.526 4.120 0.004 0.000 0.303 519 V C 0.350 176.453 176.094 0.016 0.000 1.041 519 V CA -0.806 61.504 62.300 0.015 0.000 0.907 519 V CB 2.669 34.496 31.823 0.007 0.000 0.994 519 V HN 0.081 nan 8.190 nan 0.000 0.442 520 L N 3.073 124.305 121.223 0.014 0.000 2.334 520 L HA 0.572 4.915 4.340 0.004 0.000 0.270 520 L C -0.259 176.603 176.870 -0.014 0.000 1.018 520 L CA -0.606 54.240 54.840 0.009 0.000 0.811 520 L CB 1.907 43.978 42.059 0.020 0.000 1.271 520 L HN 0.692 nan 8.230 nan 0.000 0.443 521 N N 0.629 119.315 118.700 -0.023 0.000 2.524 521 N HA 0.452 5.194 4.740 0.004 0.000 0.261 521 N C -1.631 173.836 175.510 -0.071 0.000 0.998 521 N CA -0.336 52.678 53.050 -0.060 0.000 0.915 521 N CB 1.382 39.837 38.487 -0.054 0.000 1.187 521 N HN 0.209 nan 8.380 nan 0.000 0.507 522 V N 2.764 122.624 119.914 -0.090 0.000 2.376 522 V HA 0.333 4.456 4.120 0.004 0.000 0.287 522 V C 0.426 176.424 176.094 -0.159 0.000 1.015 522 V CA -0.636 61.612 62.300 -0.087 0.000 0.834 522 V CB 1.113 32.918 31.823 -0.030 0.000 1.001 522 V HN 0.870 nan 8.190 nan 0.000 0.428 523 S N 3.708 119.285 115.700 -0.205 0.000 3.587 523 S HA -0.205 4.267 4.470 0.004 0.000 0.337 523 S C 1.377 175.648 174.600 -0.549 0.000 1.119 523 S CA 1.443 59.464 58.200 -0.298 0.000 0.976 523 S CB -1.243 61.825 63.200 -0.219 0.000 0.922 523 S HN 2.302 nan 8.310 nan 0.000 0.503 524 G N -0.154 108.385 108.800 -0.434 0.000 2.160 524 G HA2 -0.290 3.672 3.960 0.004 0.000 0.251 524 G HA3 -0.290 3.672 3.960 0.004 0.000 0.251 524 G C -0.396 174.094 174.900 -0.683 0.000 1.008 524 G CA 0.597 45.404 45.100 -0.488 0.000 0.724 524 G HN 0.882 nan 8.290 nan 0.000 0.514 525 H N -0.910 117.935 119.070 -0.376 0.000 2.466 525 H HA 0.556 5.115 4.556 0.004 0.000 0.338 525 H C 0.440 175.568 175.328 -0.333 0.000 1.091 525 H CA -0.873 54.867 56.048 -0.513 0.000 1.207 525 H CB 1.185 30.660 29.762 -0.479 0.000 1.466 525 H HN 0.270 nan 8.280 nan 0.000 0.493 526 R N 4.124 124.488 120.500 -0.228 0.000 2.248 526 R HA 0.359 4.701 4.340 0.004 0.000 0.328 526 R C -1.459 174.819 176.300 -0.038 0.000 1.067 526 R CA -0.280 55.748 56.100 -0.121 0.000 0.924 526 R CB 0.091 30.313 30.300 -0.130 0.000 1.013 526 R HN 0.572 nan 8.270 nan 0.000 0.454 527 L N 3.296 124.521 121.223 0.003 0.000 2.422 527 L HA 0.505 4.847 4.340 0.004 0.000 0.264 527 L C 0.300 177.198 176.870 0.047 0.000 0.984 527 L CA -1.101 53.768 54.840 0.049 0.000 0.819 527 L CB 2.338 44.430 42.059 0.055 0.000 1.330 527 L HN 0.782 nan 8.230 nan 0.000 0.410 528 G N -0.612 108.225 108.800 0.061 0.000 2.395 528 G HA2 0.393 4.355 3.960 0.004 0.000 0.283 528 G HA3 0.393 4.355 3.960 0.004 0.000 0.283 528 G C 0.925 175.857 174.900 0.053 0.000 1.178 528 G CA 0.262 45.392 45.100 0.050 0.000 0.837 528 G HN 0.749 nan 8.290 nan 0.000 0.518 529 T N -0.411 114.171 114.554 0.047 0.000 2.904 529 T HA -0.020 4.333 4.350 0.004 0.000 0.267 529 T C 2.522 177.255 174.700 0.055 0.000 1.059 529 T CA 1.522 63.654 62.100 0.053 0.000 1.137 529 T CB -0.160 68.739 68.868 0.052 0.000 0.879 529 T HN 0.615 nan 8.240 nan 0.000 0.467 530 A N 2.778 125.626 122.820 0.047 0.000 1.933 530 A HA -0.142 4.180 4.320 0.004 0.000 0.218 530 A C 2.359 179.977 177.584 0.056 0.000 1.175 530 A CA 1.792 53.857 52.037 0.047 0.000 0.628 530 A CB -0.764 18.258 19.000 0.036 0.000 0.814 530 A HN 0.868 nan 8.150 nan 0.000 0.444 531 E N -0.108 120.127 120.200 0.059 0.000 2.208 531 E HA -0.111 4.242 4.350 0.004 0.000 0.193 531 E C 1.760 178.405 176.600 0.075 0.000 0.988 531 E CA 1.186 57.624 56.400 0.064 0.000 0.828 531 E CB -0.403 29.337 29.700 0.066 0.000 0.763 531 E HN 0.648 nan 8.360 nan 0.000 0.478 532 I N 1.356 121.972 120.570 0.077 0.000 2.286 532 I HA -0.174 3.998 4.170 0.004 0.000 0.245 532 I C 2.308 178.482 176.117 0.095 0.000 1.104 532 I CA 1.107 62.457 61.300 0.084 0.000 1.397 532 I CB -0.310 37.734 38.000 0.073 0.000 1.072 532 I HN 0.078 nan 8.210 nan 0.000 0.417 533 E N 0.915 121.166 120.200 0.084 0.000 2.065 533 E HA -0.239 4.114 4.350 0.004 0.000 0.201 533 E C 2.340 179.001 176.600 0.101 0.000 1.016 533 E CA 1.962 58.414 56.400 0.086 0.000 0.818 533 E CB -0.181 29.561 29.700 0.071 0.000 0.749 533 E HN 0.336 nan 8.360 nan 0.000 0.453 534 S N 0.405 116.161 115.700 0.094 0.000 2.365 534 S HA -0.244 4.229 4.470 0.004 0.000 0.225 534 S C 2.103 176.799 174.600 0.159 0.000 1.039 534 S CA 1.096 59.359 58.200 0.106 0.000 1.033 534 S CB -0.354 62.895 63.200 0.082 0.000 0.887 534 S HN 0.439 nan 8.310 nan 0.000 0.447 535 A N 1.259 124.177 122.820 0.162 0.000 1.892 535 A HA -0.106 4.216 4.320 0.004 0.000 0.218 535 A C 2.163 180.016 177.584 0.448 0.000 1.188 535 A CA 1.475 53.653 52.037 0.235 0.000 0.631 535 A CB -0.823 18.262 19.000 0.142 0.000 0.822 535 A HN 0.452 nan 8.150 nan 0.000 0.447 536 L N -0.787 120.617 121.223 0.301 0.000 1.994 536 L HA -0.157 4.186 4.340 0.004 0.000 0.208 536 L C 2.519 179.496 176.870 0.178 0.000 1.071 536 L CA 1.242 56.231 54.840 0.248 0.000 0.745 536 L CB -0.564 41.573 42.059 0.129 0.000 0.892 536 L HN 0.236 nan 8.230 nan 0.000 0.431 537 V N 0.144 120.148 119.914 0.150 0.000 2.568 537 V HA -0.305 3.818 4.120 0.004 0.000 0.253 537 V C 2.632 178.797 176.094 0.118 0.000 1.072 537 V CA 1.642 64.006 62.300 0.106 0.000 1.084 537 V CB -0.905 30.971 31.823 0.089 0.000 0.676 537 V HN 0.505 nan 8.190 nan 0.000 0.469 538 A N -1.574 121.382 122.820 0.226 0.000 2.067 538 A HA -0.167 4.155 4.320 0.004 0.000 0.219 538 A C 1.412 179.078 177.584 0.137 0.000 1.158 538 A CA 0.560 52.770 52.037 0.288 0.000 0.661 538 A CB -0.687 18.586 19.000 0.455 0.000 0.801 538 A HN 0.644 nan 8.150 nan 0.000 0.452 539 H N 1.098 119.975 119.070 -0.322 0.000 3.034 539 H HA 0.050 4.608 4.556 0.004 0.000 0.324 539 H C -1.581 173.446 175.328 -0.503 0.000 1.015 539 H CA -0.890 54.508 56.048 -1.084 0.000 1.429 539 H CB 1.112 30.163 29.762 -1.186 0.000 1.429 539 H HN 0.132 nan 8.280 nan 0.000 0.585 540 P HA -0.076 nan 4.420 nan 0.000 0.228 540 P C 0.539 177.749 177.300 -0.150 0.000 1.151 540 P CA 1.163 64.053 63.100 -0.351 0.000 0.770 540 P CB 0.284 31.765 31.700 -0.367 0.000 0.786 541 K N -0.965 119.451 120.400 0.027 0.000 2.358 541 K HA 0.233 4.555 4.320 0.004 0.000 0.197 541 K C 0.761 177.383 176.600 0.036 0.000 1.025 541 K CA -0.039 56.290 56.287 0.069 0.000 1.104 541 K CB 0.293 32.860 32.500 0.111 0.000 0.855 541 K HN 0.187 nan 8.250 nan 0.000 0.531 542 I N 0.247 120.851 120.570 0.055 0.000 2.377 542 I HA 0.157 4.330 4.170 0.004 0.000 0.293 542 I C 0.715 176.840 176.117 0.014 0.000 0.987 542 I CA -0.390 60.923 61.300 0.022 0.000 1.185 542 I CB 1.901 39.911 38.000 0.016 0.000 1.341 542 I HN -0.017 nan 8.210 nan 0.000 0.455 543 A N 5.121 127.947 122.820 0.009 0.000 1.920 543 A HA 0.277 4.599 4.320 0.004 0.000 0.209 543 A C 0.571 178.171 177.584 0.027 0.000 1.229 543 A CA 0.646 52.689 52.037 0.010 0.000 0.671 543 A CB 0.251 19.244 19.000 -0.013 0.000 0.886 543 A HN 0.751 nan 8.150 nan 0.000 0.461 544 E N -2.142 118.079 120.200 0.035 0.000 2.408 544 E HA 0.688 5.040 4.350 0.004 0.000 0.275 544 E C -1.169 175.469 176.600 0.064 0.000 0.935 544 E CA -0.553 55.875 56.400 0.046 0.000 0.775 544 E CB 2.284 32.006 29.700 0.037 0.000 1.277 544 E HN 0.463 nan 8.360 nan 0.000 0.455 545 A N 0.719 123.580 122.820 0.067 0.000 2.604 545 A HA 0.839 5.162 4.320 0.004 0.000 0.295 545 A C -1.795 175.840 177.584 0.085 0.000 1.067 545 A CA -0.359 51.728 52.037 0.085 0.000 0.683 545 A CB 1.862 20.909 19.000 0.079 0.000 1.281 545 A HN 0.583 nan 8.150 nan 0.000 0.407 546 A N 0.966 123.859 122.820 0.123 0.000 2.402 546 A HA 0.666 4.989 4.320 0.004 0.000 0.291 546 A C -1.185 176.522 177.584 0.205 0.000 1.051 546 A CA -0.382 51.727 52.037 0.121 0.000 0.716 546 A CB 1.177 20.209 19.000 0.054 0.000 1.223 546 A HN 1.443 nan 8.150 nan 0.000 0.425 547 V N 3.159 123.161 119.914 0.147 0.000 2.435 547 V HA 0.693 4.816 4.120 0.004 0.000 0.290 547 V C 0.145 176.325 176.094 0.143 0.000 1.030 547 V CA -0.327 62.062 62.300 0.149 0.000 0.881 547 V CB 1.442 33.322 31.823 0.095 0.000 0.983 547 V HN 1.181 nan 8.190 nan 0.000 0.445 548 V N 1.743 121.759 119.914 0.169 0.000 3.040 548 V HA 1.022 5.145 4.120 0.004 0.000 0.312 548 V C 0.197 176.351 176.094 0.100 0.000 1.115 548 V CA -0.593 61.777 62.300 0.116 0.000 0.998 548 V CB 1.800 33.687 31.823 0.106 0.000 1.042 548 V HN 0.901 nan 8.190 nan 0.000 0.433 549 G N 1.606 110.445 108.800 0.064 0.000 2.389 549 G HA2 0.736 4.699 3.960 0.004 0.000 0.317 549 G HA3 0.736 4.699 3.960 0.004 0.000 0.317 549 G C -0.607 174.320 174.900 0.045 0.000 1.137 549 G CA -0.571 44.564 45.100 0.059 0.000 0.870 549 G HN 1.455 nan 8.290 nan 0.000 0.496 550 I N -0.900 119.707 120.570 0.063 0.000 2.892 550 I HA 0.650 4.823 4.170 0.004 0.000 0.306 550 I C -2.859 173.302 176.117 0.073 0.000 1.078 550 I CA -3.168 58.162 61.300 0.049 0.000 1.032 550 I CB 2.595 40.628 38.000 0.056 0.000 1.229 550 I HN 0.180 nan 8.210 nan 0.000 0.435 551 P HA 0.185 nan 4.420 nan 0.000 0.269 551 P C -1.515 175.851 177.300 0.110 0.000 1.209 551 P CA 0.464 63.603 63.100 0.066 0.000 0.776 551 P CB 0.166 31.884 31.700 0.031 0.000 0.876 552 H N 0.789 119.862 119.070 0.006 0.000 3.042 552 H HA 0.497 5.055 4.556 0.004 0.000 0.345 552 H C 0.655 175.979 175.328 -0.007 0.000 1.052 552 H CA -0.513 55.537 56.048 0.003 0.000 1.311 552 H CB 1.340 31.105 29.762 0.005 0.000 1.810 552 H HN 0.317 nan 8.280 nan 0.000 0.505 553 A N 4.974 127.733 122.820 -0.102 0.000 1.978 553 A HA -0.122 4.201 4.320 0.004 0.000 0.220 553 A C 1.370 179.000 177.584 0.077 0.000 1.170 553 A CA 1.677 53.700 52.037 -0.023 0.000 0.636 553 A CB -0.271 18.669 19.000 -0.101 0.000 0.810 553 A HN 0.633 nan 8.150 nan 0.000 0.448 554 I N -1.273 119.455 120.570 0.263 0.000 2.900 554 I HA -0.006 4.167 4.170 0.004 0.000 0.251 554 I C 1.890 178.066 176.117 0.097 0.000 1.102 554 I CA 0.870 62.264 61.300 0.157 0.000 1.457 554 I CB -1.325 36.749 38.000 0.124 0.000 1.285 554 I HN 0.235 nan 8.210 nan 0.000 0.459 555 K N 0.977 121.422 120.400 0.074 0.000 2.362 555 K HA 0.002 4.325 4.320 0.004 0.000 0.200 555 K C 1.557 178.119 176.600 -0.063 0.000 1.046 555 K CA 0.931 57.126 56.287 -0.153 0.000 0.952 555 K CB 0.108 32.314 32.500 -0.490 0.000 0.753 555 K HN 0.550 nan 8.250 nan 0.000 0.466 556 G N 1.084 109.910 108.800 0.042 0.000 4.526 556 G HA2 -0.310 3.653 3.960 0.004 0.000 0.217 556 G HA3 -0.310 3.653 3.960 0.004 0.000 0.217 556 G C -0.029 174.904 174.900 0.056 0.000 1.428 556 G CA -0.050 45.069 45.100 0.033 0.000 0.928 556 G HN 0.367 nan 8.290 nan 0.000 0.639 557 Q N 0.706 120.519 119.800 0.021 0.000 2.377 557 Q HA 0.708 5.050 4.340 0.004 0.000 0.271 557 Q C -0.148 175.861 176.000 0.014 0.000 1.077 557 Q CA -0.169 55.658 55.803 0.041 0.000 0.820 557 Q CB 2.274 31.025 28.738 0.022 0.000 1.347 557 Q HN 0.987 nan 8.270 nan 0.000 0.444 558 A N 2.062 124.923 122.820 0.068 0.000 2.299 558 A HA 0.704 5.026 4.320 0.004 0.000 0.332 558 A C -0.641 176.984 177.584 0.067 0.000 1.131 558 A CA -0.698 51.365 52.037 0.043 0.000 0.844 558 A CB 0.704 19.798 19.000 0.156 0.000 1.251 558 A HN 0.725 nan 8.150 nan 0.000 0.486 559 I N 1.251 121.849 120.570 0.047 0.000 2.304 559 I HA 0.206 4.378 4.170 0.004 0.000 0.291 559 I C -1.101 175.059 176.117 0.073 0.000 1.018 559 I CA -0.042 61.292 61.300 0.057 0.000 1.260 559 I CB 0.647 38.660 38.000 0.022 0.000 1.390 559 I HN 0.622 nan 8.210 nan 0.000 0.475 560 Y N 6.899 127.173 120.300 -0.044 0.000 2.328 560 Y HA 0.695 5.248 4.550 0.004 0.000 0.333 560 Y C -0.382 175.438 175.900 -0.133 0.000 0.958 560 Y CA -1.089 56.946 58.100 -0.108 0.000 1.167 560 Y CB 1.405 39.801 38.460 -0.106 0.000 1.151 560 Y HN 0.570 nan 8.280 nan 0.000 0.470 561 A N 6.452 129.170 122.820 -0.170 0.000 2.273 561 A HA 0.535 4.857 4.320 0.004 0.000 0.315 561 A C -1.855 175.614 177.584 -0.191 0.000 1.256 561 A CA -0.500 51.483 52.037 -0.090 0.000 0.851 561 A CB -0.048 18.876 19.000 -0.126 0.000 1.172 561 A HN 0.749 nan 8.150 nan 0.000 0.508 562 Y N 1.578 121.900 120.300 0.036 0.000 2.359 562 Y HA 0.429 4.981 4.550 0.004 0.000 0.334 562 Y C 0.256 176.157 175.900 0.002 0.000 1.058 562 Y CA 0.094 58.195 58.100 0.001 0.000 1.244 562 Y CB 1.351 39.785 38.460 -0.044 0.000 1.187 562 Y HN 0.367 nan 8.280 nan 0.000 0.510 563 V N 3.279 123.296 119.914 0.172 0.000 2.525 563 V HA 0.342 4.465 4.120 0.004 0.000 0.299 563 V C -0.420 175.821 176.094 0.245 0.000 1.034 563 V CA -0.903 61.498 62.300 0.168 0.000 0.863 563 V CB 2.037 33.929 31.823 0.116 0.000 0.999 563 V HN 0.762 nan 8.190 nan 0.000 0.423 564 T N 6.405 121.052 114.554 0.155 0.000 2.758 564 T HA 0.605 4.958 4.350 0.004 0.000 0.285 564 T C -0.088 174.638 174.700 0.042 0.000 0.981 564 T CA -0.296 61.863 62.100 0.098 0.000 0.965 564 T CB 0.708 69.604 68.868 0.046 0.000 0.927 564 T HN 0.355 nan 8.240 nan 0.000 0.448 565 L N 3.219 124.442 121.223 0.002 0.000 2.418 565 L HA 0.343 4.685 4.340 0.004 0.000 0.265 565 L C 0.940 177.732 176.870 -0.131 0.000 1.143 565 L CA -1.145 53.658 54.840 -0.061 0.000 0.809 565 L CB 0.296 42.288 42.059 -0.112 0.000 1.124 565 L HN 0.537 nan 8.230 nan 0.000 0.456 566 N N 0.231 118.879 118.700 -0.088 0.000 2.292 566 N HA -0.053 4.690 4.740 0.004 0.000 0.242 566 N C -0.228 175.220 175.510 -0.104 0.000 1.243 566 N CA 0.292 53.296 53.050 -0.076 0.000 0.851 566 N CB 0.064 38.536 38.487 -0.025 0.000 1.093 566 N HN 0.445 nan 8.380 nan 0.000 0.450 567 H N -0.208 118.860 119.070 -0.004 0.000 2.815 567 H HA 0.238 4.797 4.556 0.004 0.000 0.350 567 H C 1.497 176.815 175.328 -0.016 0.000 1.080 567 H CA 1.596 57.640 56.048 -0.007 0.000 1.433 567 H CB 0.450 30.212 29.762 -0.001 0.000 1.432 567 H HN 0.804 nan 8.280 nan 0.000 0.592 568 G N 2.114 110.986 108.800 0.120 0.000 2.268 568 G HA2 -0.253 3.709 3.960 0.004 0.000 0.240 568 G HA3 -0.253 3.709 3.960 0.004 0.000 0.240 568 G C 0.105 175.000 174.900 -0.008 0.000 1.010 568 G CA -0.056 45.072 45.100 0.047 0.000 0.618 568 G HN 0.567 nan 8.290 nan 0.000 0.516 569 E N 1.417 121.593 120.200 -0.039 0.000 2.354 569 E HA 0.471 4.824 4.350 0.004 0.000 0.269 569 E C 0.037 176.560 176.600 -0.127 0.000 1.036 569 E CA 0.025 56.374 56.400 -0.084 0.000 0.876 569 E CB 1.256 30.897 29.700 -0.099 0.000 1.009 569 E HN 0.620 nan 8.360 nan 0.000 0.416 570 E N 2.226 122.331 120.200 -0.159 0.000 2.212 570 E HA 0.348 4.701 4.350 0.004 0.000 0.268 570 E C -2.254 174.133 176.600 -0.354 0.000 0.902 570 E CA -2.064 54.212 56.400 -0.207 0.000 0.779 570 E CB 1.609 31.226 29.700 -0.139 0.000 1.172 570 E HN 0.194 nan 8.360 nan 0.000 0.409 571 P HA 0.056 nan 4.420 nan 0.000 0.270 571 P C -1.085 175.978 177.300 -0.394 0.000 1.223 571 P CA -0.186 62.421 63.100 -0.821 0.000 0.785 571 P CB 0.684 31.699 31.700 -1.142 0.000 0.923 572 S N -0.380 115.153 115.700 -0.279 0.000 2.587 572 S HA 0.463 4.936 4.470 0.004 0.000 0.269 572 S C -2.589 172.058 174.600 0.079 0.000 1.154 572 S CA -1.134 57.023 58.200 -0.070 0.000 0.824 572 S CB 1.263 64.424 63.200 -0.065 0.000 1.118 572 S HN 0.076 nan 8.310 nan 0.000 0.462 573 P HA 0.032 nan 4.420 nan 0.000 0.219 573 P C 0.947 178.340 177.300 0.155 0.000 1.150 573 P CA 1.150 64.317 63.100 0.112 0.000 0.814 573 P CB 0.021 31.736 31.700 0.024 0.000 0.787 574 E N -0.345 119.912 120.200 0.095 0.000 2.070 574 E HA -0.187 4.166 4.350 0.004 0.000 0.197 574 E C 1.858 178.534 176.600 0.126 0.000 1.004 574 E CA 1.002 57.457 56.400 0.092 0.000 0.805 574 E CB -1.279 28.451 29.700 0.051 0.000 0.744 574 E HN 0.135 nan 8.360 nan 0.000 0.451 575 L N -0.482 120.804 121.223 0.105 0.000 2.141 575 L HA -0.112 4.231 4.340 0.004 0.000 0.209 575 L C 2.058 179.084 176.870 0.259 0.000 1.094 575 L CA 1.508 56.399 54.840 0.085 0.000 0.763 575 L CB -0.449 41.549 42.059 -0.101 0.000 0.908 575 L HN 0.192 nan 8.230 nan 0.000 0.437 576 Y N 0.037 120.512 120.300 0.292 0.000 2.097 576 Y HA -0.313 4.239 4.550 0.004 0.000 0.282 576 Y C 2.466 178.454 175.900 0.147 0.000 1.152 576 Y CA 2.235 60.542 58.100 0.344 0.000 1.136 576 Y CB -0.399 38.240 38.460 0.297 0.000 0.975 576 Y HN 0.266 nan 8.280 nan 0.000 0.498 577 A N -0.101 122.934 122.820 0.359 0.000 1.902 577 A HA -0.265 4.057 4.320 0.004 0.000 0.217 577 A C 2.186 179.861 177.584 0.151 0.000 1.181 577 A CA 1.945 54.116 52.037 0.224 0.000 0.623 577 A CB -0.910 18.199 19.000 0.181 0.000 0.818 577 A HN 0.676 nan 8.150 nan 0.000 0.443 578 E N -0.242 120.050 120.200 0.154 0.000 2.106 578 E HA -0.121 4.232 4.350 0.004 0.000 0.192 578 E C 1.798 178.500 176.600 0.171 0.000 0.984 578 E CA 1.386 57.884 56.400 0.164 0.000 0.806 578 E CB -0.094 29.701 29.700 0.158 0.000 0.750 578 E HN 0.325 nan 8.360 nan 0.000 0.458 579 V N 1.431 121.376 119.914 0.052 0.000 2.427 579 V HA -0.206 3.917 4.120 0.004 0.000 0.248 579 V C 2.450 178.588 176.094 0.073 0.000 1.051 579 V CA 1.743 64.034 62.300 -0.015 0.000 1.048 579 V CB -0.518 31.226 31.823 -0.133 0.000 0.666 579 V HN 0.262 nan 8.190 nan 0.000 0.456 580 R N 0.335 120.832 120.500 -0.005 0.000 2.073 580 R HA -0.151 4.192 4.340 0.004 0.000 0.234 580 R C 2.213 178.569 176.300 0.092 0.000 1.134 580 R CA 1.644 57.749 56.100 0.009 0.000 0.952 580 R CB -0.660 29.629 30.300 -0.019 0.000 0.850 580 R HN 0.505 nan 8.270 nan 0.000 0.433 581 N N 0.495 119.271 118.700 0.127 0.000 2.149 581 N HA -0.229 4.514 4.740 0.004 0.000 0.188 581 N C 1.396 177.010 175.510 0.174 0.000 1.019 581 N CA 0.986 54.117 53.050 0.135 0.000 0.857 581 N CB -0.402 38.172 38.487 0.144 0.000 0.997 581 N HN 0.420 nan 8.380 nan 0.000 0.426 582 W N 1.921 123.263 121.300 0.069 0.000 2.333 582 W HA -0.178 4.485 4.660 0.004 0.000 0.316 582 W C 1.557 178.118 176.519 0.069 0.000 1.215 582 W CA 1.193 58.598 57.345 0.100 0.000 1.278 582 W CB -0.280 29.293 29.460 0.189 0.000 1.154 582 W HN -0.156 nan 8.180 nan 0.000 0.486 583 V N 1.483 121.500 119.914 0.172 0.000 2.427 583 V HA -0.272 3.850 4.120 0.004 0.000 0.248 583 V C 2.645 178.738 176.094 -0.002 0.000 1.051 583 V CA 2.219 64.553 62.300 0.057 0.000 1.048 583 V CB -1.063 30.825 31.823 0.108 0.000 0.666 583 V HN 0.191 nan 8.190 nan 0.000 0.456 584 R N 0.868 121.381 120.500 0.021 0.000 2.105 584 R HA -0.247 4.096 4.340 0.004 0.000 0.239 584 R C 2.356 178.642 176.300 -0.023 0.000 1.135 584 R CA 2.212 58.321 56.100 0.015 0.000 0.967 584 R CB -0.256 30.062 30.300 0.031 0.000 0.861 584 R HN 0.533 nan 8.270 nan 0.000 0.442 585 K N -0.075 120.272 120.400 -0.087 0.000 2.116 585 K HA -0.092 4.230 4.320 0.004 0.000 0.203 585 K C 1.600 178.074 176.600 -0.209 0.000 1.052 585 K CA 1.163 57.358 56.287 -0.154 0.000 0.952 585 K CB 0.175 32.541 32.500 -0.222 0.000 0.729 585 K HN 0.143 nan 8.250 nan 0.000 0.446 586 E N 0.250 120.281 120.200 -0.280 0.000 2.107 586 E HA -0.066 4.286 4.350 0.004 0.000 0.191 586 E C 1.848 178.392 176.600 -0.093 0.000 0.982 586 E CA 1.081 57.328 56.400 -0.256 0.000 0.809 586 E CB 0.250 29.773 29.700 -0.296 0.000 0.756 586 E HN 0.440 nan 8.360 nan 0.000 0.459 587 I N -1.868 118.698 120.570 -0.007 0.000 3.746 587 I HA 0.270 4.442 4.170 0.004 0.000 0.262 587 I C 0.894 177.154 176.117 0.238 0.000 1.153 587 I CA 0.398 61.772 61.300 0.124 0.000 1.395 587 I CB 1.183 39.270 38.000 0.144 0.000 1.589 587 I HN 0.044 nan 8.210 nan 0.000 0.441 588 G N 0.417 109.301 108.800 0.140 0.000 2.353 588 G HA2 0.087 4.049 3.960 0.004 0.000 0.308 588 G HA3 0.087 4.049 3.960 0.004 0.000 0.308 588 G C -2.761 172.181 174.900 0.071 0.000 1.418 588 G CA -0.686 44.485 45.100 0.119 0.000 0.966 588 G HN -0.239 nan 8.290 nan 0.000 0.638 589 P HA -0.056 nan 4.420 nan 0.000 0.217 589 P C 2.378 179.704 177.300 0.043 0.000 1.148 589 P CA 1.620 64.743 63.100 0.038 0.000 0.828 589 P CB -0.022 31.695 31.700 0.029 0.000 0.783 590 L N -3.008 118.240 121.223 0.042 0.000 2.187 590 L HA -0.042 4.300 4.340 0.004 0.000 0.213 590 L C 1.895 178.788 176.870 0.040 0.000 1.100 590 L CA 2.150 57.006 54.840 0.027 0.000 0.765 590 L CB -1.293 40.699 42.059 -0.112 0.000 0.904 590 L HN -0.141 nan 8.230 nan 0.000 0.437 591 A N -0.536 122.316 122.820 0.055 0.000 2.387 591 A HA 0.234 4.556 4.320 0.004 0.000 0.234 591 A C 0.860 178.470 177.584 0.043 0.000 1.253 591 A CA -0.091 51.983 52.037 0.061 0.000 0.894 591 A CB -0.478 18.579 19.000 0.094 0.000 0.963 591 A HN 0.402 nan 8.150 nan 0.000 0.508 592 T N 3.859 118.432 114.554 0.033 0.000 2.793 592 T HA 0.283 4.636 4.350 0.004 0.000 0.289 592 T C -2.533 172.164 174.700 -0.006 0.000 0.956 592 T CA -0.342 61.768 62.100 0.018 0.000 1.177 592 T CB 0.344 69.225 68.868 0.021 0.000 0.897 592 T HN 0.165 nan 8.240 nan 0.000 0.533 593 P HA 0.084 nan 4.420 nan 0.000 0.264 593 P C 0.012 177.266 177.300 -0.077 0.000 1.183 593 P CA 0.084 63.139 63.100 -0.074 0.000 0.763 593 P CB 0.529 32.138 31.700 -0.152 0.000 0.807 594 D N 0.896 121.264 120.400 -0.054 0.000 2.162 594 D HA -0.014 4.628 4.640 0.004 0.000 0.203 594 D C 0.166 176.429 176.300 -0.061 0.000 0.967 594 D CA 1.158 55.144 54.000 -0.022 0.000 0.840 594 D CB 0.189 41.005 40.800 0.026 0.000 0.972 594 D HN 0.100 nan 8.370 nan 0.000 0.482 595 V N 1.119 120.922 119.914 -0.184 0.000 2.656 595 V HA 0.377 4.500 4.120 0.004 0.000 0.307 595 V C -0.720 175.030 176.094 -0.573 0.000 1.051 595 V CA -0.840 61.251 62.300 -0.349 0.000 0.893 595 V CB 2.295 33.780 31.823 -0.564 0.000 0.999 595 V HN 0.010 nan 8.190 nan 0.000 0.426 596 L N 3.773 124.610 121.223 -0.644 0.000 2.305 596 L HA 0.536 4.879 4.340 0.004 0.000 0.284 596 L C -0.497 175.857 176.870 -0.861 0.000 1.013 596 L CA -0.483 53.812 54.840 -0.909 0.000 0.819 596 L CB 1.271 42.465 42.059 -1.442 0.000 1.227 596 L HN 0.746 nan 8.230 nan 0.000 0.417 597 H N 3.124 121.684 119.070 -0.850 0.000 2.691 597 H HA 0.270 4.828 4.556 0.004 0.000 0.281 597 H C -1.183 173.975 175.328 -0.283 0.000 1.121 597 H CA -0.794 54.922 56.048 -0.552 0.000 1.254 597 H CB 0.509 29.943 29.762 -0.547 0.000 1.390 597 H HN 0.474 nan 8.280 nan 0.000 0.491 598 W N 4.363 125.733 121.300 0.116 0.000 2.308 598 W HA 0.293 4.955 4.660 0.005 0.000 0.324 598 W C 0.423 177.102 176.519 0.267 0.000 1.387 598 W CA -0.390 57.037 57.345 0.136 0.000 1.250 598 W CB 0.875 30.364 29.460 0.049 0.000 1.257 598 W HN 0.405 nan 8.180 nan 0.000 0.554 599 T N 1.671 116.509 114.554 0.473 0.000 2.853 599 T HA 0.148 4.501 4.350 0.004 0.000 0.311 599 T C -0.254 174.572 174.700 0.210 0.000 1.307 599 T CA -0.641 61.677 62.100 0.364 0.000 1.019 599 T CB 1.505 70.618 68.868 0.408 0.000 1.264 599 T HN 0.408 nan 8.240 nan 0.000 0.497 600 D N 1.429 121.921 120.400 0.154 0.000 2.398 600 D HA 0.224 4.867 4.640 0.004 0.000 0.210 600 D C 0.376 176.726 176.300 0.082 0.000 1.094 600 D CA 0.131 54.188 54.000 0.094 0.000 0.839 600 D CB 0.710 41.561 40.800 0.084 0.000 0.963 600 D HN 0.345 nan 8.370 nan 0.000 0.506 601 S N 0.716 116.471 115.700 0.091 0.000 2.481 601 S HA 0.256 4.729 4.470 0.004 0.000 0.243 601 S C 0.656 175.252 174.600 -0.007 0.000 1.152 601 S CA -0.369 57.862 58.200 0.052 0.000 1.168 601 S CB 0.242 63.485 63.200 0.071 0.000 0.835 601 S HN 0.173 nan 8.310 nan 0.000 0.474 602 L N 3.948 125.161 121.223 -0.017 0.000 2.462 602 L HA 0.195 4.538 4.340 0.004 0.000 0.272 602 L C -1.991 174.834 176.870 -0.075 0.000 1.166 602 L CA -1.417 53.374 54.840 -0.082 0.000 0.880 602 L CB 0.121 42.147 42.059 -0.054 0.000 1.142 602 L HN 0.081 nan 8.230 nan 0.000 0.473 603 P HA 0.208 nan 4.420 nan 0.000 0.280 603 P C -1.068 176.193 177.300 -0.065 0.000 1.300 603 P CA -0.239 62.811 63.100 -0.084 0.000 0.785 603 P CB 0.738 32.372 31.700 -0.110 0.000 0.874 604 K N 1.364 121.741 120.400 -0.039 0.000 2.267 604 K HA 0.459 4.782 4.320 0.004 0.000 0.246 604 K C 0.785 177.372 176.600 -0.021 0.000 0.954 604 K CA -0.675 55.596 56.287 -0.028 0.000 0.824 604 K CB 1.714 34.205 32.500 -0.016 0.000 1.167 604 K HN 0.396 nan 8.250 nan 0.000 0.431 605 T N -1.498 113.045 114.554 -0.018 0.000 2.754 605 T HA 0.133 4.485 4.350 0.004 0.000 0.286 605 T C 1.202 175.897 174.700 -0.008 0.000 0.997 605 T CA -0.472 61.620 62.100 -0.014 0.000 0.982 605 T CB 0.609 69.469 68.868 -0.013 0.000 1.027 605 T HN 0.555 nan 8.240 nan 0.000 0.529 606 R N 0.651 121.147 120.500 -0.007 0.000 2.170 606 R HA -0.070 4.272 4.340 0.004 0.000 0.242 606 R C 2.073 178.371 176.300 -0.002 0.000 1.145 606 R CA 1.590 57.688 56.100 -0.004 0.000 0.984 606 R CB -0.703 29.595 30.300 -0.003 0.000 0.869 606 R HN 0.804 nan 8.270 nan 0.000 0.455 607 S N -0.800 114.898 115.700 -0.004 0.000 2.582 607 S HA 0.279 4.752 4.470 0.004 0.000 0.234 607 S C 1.062 175.661 174.600 -0.002 0.000 0.961 607 S CA 0.004 58.203 58.200 -0.002 0.000 0.953 607 S CB 0.907 64.105 63.200 -0.003 0.000 0.800 607 S HN 0.492 nan 8.310 nan 0.000 0.471 608 G N 0.591 109.390 108.800 -0.002 0.000 2.176 608 G HA2 -0.080 3.882 3.960 0.004 0.000 0.252 608 G HA3 -0.080 3.882 3.960 0.004 0.000 0.252 608 G C 0.153 175.050 174.900 -0.004 0.000 1.024 608 G CA -0.125 44.974 45.100 -0.001 0.000 0.755 608 G HN 1.295 nan 8.290 nan 0.000 0.507 609 A N 0.388 123.203 122.820 -0.009 0.000 2.305 609 A HA 0.751 5.073 4.320 0.004 0.000 0.322 609 A C 0.594 178.166 177.584 -0.020 0.000 1.187 609 A CA -0.739 51.291 52.037 -0.011 0.000 0.825 609 A CB 0.653 19.646 19.000 -0.011 0.000 1.164 609 A HN 0.589 nan 8.150 nan 0.000 0.498 610 I N 2.459 123.016 120.570 -0.023 0.000 2.533 610 I HA 0.100 4.273 4.170 0.004 0.000 0.284 610 I C 1.135 177.225 176.117 -0.046 0.000 1.109 610 I CA 0.462 61.738 61.300 -0.040 0.000 1.412 610 I CB 0.108 38.084 38.000 -0.040 0.000 1.396 610 I HN 0.776 nan 8.210 nan 0.000 0.543 611 M N 7.044 126.608 119.600 -0.061 0.000 2.775 611 M HA 0.189 4.672 4.480 0.004 0.000 0.313 611 M C 1.240 177.492 176.300 -0.080 0.000 1.429 611 M CA 0.159 55.422 55.300 -0.061 0.000 1.494 611 M CB -1.162 31.402 32.600 -0.060 0.000 1.274 611 M HN 0.569 nan 8.290 nan 0.000 0.491 612 R N 1.374 121.839 120.500 -0.058 0.000 2.092 612 R HA -0.111 4.231 4.340 0.004 0.000 0.231 612 R C 2.736 179.004 176.300 -0.054 0.000 1.119 612 R CA 1.760 57.826 56.100 -0.056 0.000 0.970 612 R CB -0.352 29.935 30.300 -0.023 0.000 0.864 612 R HN 0.891 nan 8.270 nan 0.000 0.440 613 R N 1.179 121.654 120.500 -0.042 0.000 2.091 613 R HA -0.124 4.219 4.340 0.004 0.000 0.238 613 R C 2.039 178.311 176.300 -0.047 0.000 1.136 613 R CA 1.761 57.842 56.100 -0.033 0.000 0.959 613 R CB -1.302 28.985 30.300 -0.022 0.000 0.856 613 R HN 0.199 nan 8.270 nan 0.000 0.437 614 I N 0.347 120.878 120.570 -0.065 0.000 2.315 614 I HA -0.088 4.085 4.170 0.004 0.000 0.248 614 I C 2.324 178.377 176.117 -0.106 0.000 1.117 614 I CA 0.917 62.172 61.300 -0.075 0.000 1.404 614 I CB 0.039 37.993 38.000 -0.076 0.000 1.071 614 I HN 0.344 nan 8.210 nan 0.000 0.419 615 L N -0.391 120.734 121.223 -0.164 0.000 2.046 615 L HA -0.222 4.121 4.340 0.004 0.000 0.208 615 L C 2.707 179.549 176.870 -0.048 0.000 1.077 615 L CA 1.364 56.067 54.840 -0.229 0.000 0.747 615 L CB -0.664 41.176 42.059 -0.365 0.000 0.896 615 L HN 0.162 nan 8.230 nan 0.000 0.432 616 R N 0.602 121.075 120.500 -0.045 0.000 2.080 616 R HA -0.222 4.121 4.340 0.004 0.000 0.236 616 R C 2.705 178.970 176.300 -0.059 0.000 1.137 616 R CA 2.397 58.474 56.100 -0.038 0.000 0.943 616 R CB -0.269 30.018 30.300 -0.021 0.000 0.846 616 R HN 0.272 nan 8.270 nan 0.000 0.431 617 K N 0.602 120.974 120.400 -0.046 0.000 2.097 617 K HA -0.082 4.241 4.320 0.004 0.000 0.205 617 K C 1.911 178.486 176.600 -0.042 0.000 1.050 617 K CA 1.720 57.984 56.287 -0.038 0.000 0.938 617 K CB -0.747 31.736 32.500 -0.027 0.000 0.718 617 K HN 0.270 nan 8.250 nan 0.000 0.442 618 I N 0.499 121.046 120.570 -0.038 0.000 2.202 618 I HA -0.174 3.998 4.170 0.004 0.000 0.242 618 I C 3.012 179.085 176.117 -0.072 0.000 1.091 618 I CA 1.087 62.381 61.300 -0.010 0.000 1.368 618 I CB -0.181 37.846 38.000 0.045 0.000 1.058 618 I HN 0.384 nan 8.210 nan 0.000 0.410 619 A N 0.715 123.400 122.820 -0.225 0.000 1.933 619 A HA -0.107 4.215 4.320 0.004 0.000 0.218 619 A C 2.397 179.814 177.584 -0.278 0.000 1.175 619 A CA 1.555 53.215 52.037 -0.629 0.000 0.628 619 A CB -0.780 17.517 19.000 -1.171 0.000 0.814 619 A HN 0.420 nan 8.150 nan 0.000 0.444 620 A N -1.627 121.104 122.820 -0.149 0.000 2.259 620 A HA 0.330 4.653 4.320 0.004 0.000 0.212 620 A C 1.894 179.459 177.584 -0.031 0.000 1.178 620 A CA 1.428 53.427 52.037 -0.063 0.000 0.734 620 A CB -1.183 17.793 19.000 -0.041 0.000 0.774 620 A HN 1.951 nan 8.150 nan 0.000 0.481 621 G N -0.474 108.309 108.800 -0.028 0.000 2.176 621 G HA2 -0.257 3.706 3.960 0.004 0.000 0.253 621 G HA3 -0.257 3.706 3.960 0.004 0.000 0.253 621 G C -0.128 174.775 174.900 0.006 0.000 0.979 621 G CA 0.820 45.922 45.100 0.003 0.000 0.641 621 G HN 1.064 nan 8.290 nan 0.000 0.530 634 D N 1.577 121.976 120.400 -0.001 0.000 2.441 634 D HA 0.544 5.187 4.640 0.004 0.000 0.221 634 D C -1.773 174.528 176.300 0.001 0.000 1.156 634 D CA -1.742 52.260 54.000 0.003 0.000 0.896 634 D CB 1.300 42.105 40.800 0.008 0.000 1.028 634 D HN 0.084 nan 8.370 nan 0.000 0.509 635 P HA 0.056 nan 4.420 nan 0.000 0.221 635 P C 1.442 178.745 177.300 0.005 0.000 1.150 635 P CA 0.437 63.538 63.100 0.001 0.000 0.800 635 P CB 0.264 31.965 31.700 0.002 0.000 0.787 636 G N 0.641 109.447 108.800 0.010 0.000 2.501 636 G HA2 -0.218 3.745 3.960 0.004 0.000 0.220 636 G HA3 -0.218 3.745 3.960 0.004 0.000 0.220 636 G C 1.543 176.456 174.900 0.021 0.000 1.114 636 G CA 0.975 46.085 45.100 0.017 0.000 0.757 636 G HN 0.345 nan 8.290 nan 0.000 0.559 637 V N -0.989 118.934 119.914 0.015 0.000 2.407 637 V HA -0.166 3.956 4.120 0.004 0.000 0.248 637 V C 2.651 178.757 176.094 0.019 0.000 1.055 637 V CA 1.649 63.959 62.300 0.017 0.000 1.049 637 V CB -0.916 30.907 31.823 -0.001 0.000 0.662 637 V HN 0.148 nan 8.190 nan 0.000 0.455 638 V N 0.651 120.569 119.914 0.007 0.000 2.282 638 V HA -0.314 3.809 4.120 0.004 0.000 0.249 638 V C 2.807 178.922 176.094 0.036 0.000 1.057 638 V CA 2.699 65.005 62.300 0.009 0.000 1.032 638 V CB -0.889 30.934 31.823 0.000 0.000 0.645 638 V HN 0.719 nan 8.190 nan 0.000 0.447 639 E N 0.521 120.743 120.200 0.037 0.000 2.077 639 E HA -0.257 4.095 4.350 0.004 0.000 0.193 639 E C 2.457 179.097 176.600 0.067 0.000 0.989 639 E CA 1.891 58.319 56.400 0.046 0.000 0.800 639 E CB -0.097 29.625 29.700 0.036 0.000 0.746 639 E HN 0.645 nan 8.360 nan 0.000 0.452 640 K N 1.029 121.473 120.400 0.072 0.000 2.057 640 K HA -0.125 4.198 4.320 0.004 0.000 0.207 640 K C 2.168 178.860 176.600 0.154 0.000 1.049 640 K CA 1.491 57.837 56.287 0.099 0.000 0.931 640 K CB -1.159 31.397 32.500 0.093 0.000 0.714 640 K HN 0.154 nan 8.250 nan 0.000 0.440 641 L N 0.059 121.374 121.223 0.155 0.000 2.042 641 L HA -0.148 4.194 4.340 0.004 0.000 0.210 641 L C 2.801 179.833 176.870 0.269 0.000 1.076 641 L CA 1.252 56.234 54.840 0.237 0.000 0.749 641 L CB -0.414 41.708 42.059 0.106 0.000 0.893 641 L HN 0.295 nan 8.230 nan 0.000 0.432 642 L N -0.819 120.499 121.223 0.159 0.000 2.056 642 L HA -0.185 4.158 4.340 0.004 0.000 0.207 642 L C 2.562 179.505 176.870 0.121 0.000 1.078 642 L CA 1.156 56.075 54.840 0.131 0.000 0.749 642 L CB -0.413 41.694 42.059 0.080 0.000 0.901 642 L HN 0.271 nan 8.230 nan 0.000 0.433 643 E N 0.110 120.374 120.200 0.106 0.000 2.031 643 E HA -0.255 4.097 4.350 0.004 0.000 0.193 643 E C 2.084 178.732 176.600 0.080 0.000 0.994 643 E CA 1.475 57.924 56.400 0.082 0.000 0.800 643 E CB -0.004 29.739 29.700 0.072 0.000 0.752 643 E HN 0.491 nan 8.360 nan 0.000 0.447 644 E N 0.637 120.903 120.200 0.111 0.000 2.058 644 E HA -0.202 4.151 4.350 0.004 0.000 0.194 644 E C 2.100 178.677 176.600 -0.037 0.000 0.997 644 E CA 0.833 57.251 56.400 0.029 0.000 0.801 644 E CB 0.026 29.777 29.700 0.084 0.000 0.746 644 E HN -0.027 nan 8.360 nan 0.000 0.450 645 K N 0.889 121.380 120.400 0.152 0.000 2.063 645 K HA -0.226 4.096 4.320 0.004 0.000 0.208 645 K C 2.172 178.825 176.600 0.087 0.000 1.048 645 K CA 1.412 57.808 56.287 0.182 0.000 0.928 645 K CB -0.078 32.591 32.500 0.282 0.000 0.713 645 K HN 0.009 nan 8.250 nan 0.000 0.442 646 Q N 0.572 120.415 119.800 0.071 0.000 2.124 646 Q HA -0.011 4.331 4.340 0.004 0.000 0.202 646 Q C 0.569 176.582 176.000 0.021 0.000 0.977 646 Q CA 1.237 57.066 55.803 0.045 0.000 0.850 646 Q CB -0.431 28.333 28.738 0.042 0.000 0.901 646 Q HN 0.351 nan 8.270 nan 0.000 0.429 647 A N 0.000 122.825 122.820 0.008 0.000 2.254 647 A HA 0.000 4.323 4.320 0.004 0.000 0.244 647 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 647 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486