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 1vsz_1_A DATA FIRST_RESID 4 DATA SEQUENCE PSMMPQWSYM HISGQDASEY LSPGLVQFAR ATETYFSLNN KFRNPTVAPT DATA SEQUENCE HDVTTDRSQR LTLRFIPVDR EDTAYSYKAR FTLAVGDNRV LDMASTYFDI DATA SEQUENCE RGVLDRGPTF KPYSGTAYNA LAPKGAPNPC EWDXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXTHVFGQAP YSGINITKEG IQIGVEGQTP KYADKTFQPE DATA SEQUENCE PQIGESQWYE TEINHAAGRV LKKTTPMKPC YGSYAKPTNE NGGQGILVKQ DATA SEQUENCE QNGKLESQVE MQFFSTTXXX XXXXXNLTPK VVLYSEDVDI ETPDTHISYM DATA SEQUENCE PTIKEGNSRE LMGQQSMPNR PNYIAFRDNF IGLMYYNSTG NMGVLAGQAS DATA SEQUENCE QLNAVVDLQD RNTELSYQLL LDSIGDRTRY FSMWNQAVDS YDPDVRIIEN DATA SEQUENCE HGTEDELPNY CFPLGGVINT ETLTKVKPKT GQENGWEKDA XXFSDKNEIR DATA SEQUENCE VGNNFAMEIN LNANLWRNFL YSNIALYLPD KLKYSPSNVK ISDNPNTYDY DATA SEQUENCE MNKRVVAPGL VDCYINLGAR WSLDYMDNVN PFNHHRNAGL RYRSMLLGNG DATA SEQUENCE RYVPFHIQVP QKFFAIKNLL LLPGSYTYEW NFRKDVNMVL QSSLGNDLRV DATA SEQUENCE DGASIKFDSI CLYATFFPMA HNTASTLEAM LRNDTNDQSF NDYLSAANML DATA SEQUENCE YPIPANATNV PISIPSRNWA AFRGWAFTRL KTKETPSLGS GYDPYYTYSG DATA SEQUENCE SIPYLDGTFY LNHTFKKVAI TFDSSVSWPG NDRLLTPNEF EIKRSVDGEG DATA SEQUENCE YNVAQCNMTK DWFLVQMLAN YNIGYQGFYI PESYKDRMYS FFRNFQPMSR DATA SEQUENCE QVVDDTKYKD YQQVGILHQH NNSGFVGYLA PTMREGQAYP ANFPYPLIGK DATA SEQUENCE TAVDSITQKK FLCDRTLWRI PFSSNFMSMG ALTDLGQNLL YANSAHALDM DATA SEQUENCE TFEVDPMDEP TLLYVLFEVF DVVRVHRPHR GVIETVYLRT PFSAGNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.237 177.300 -0.105 0.000 1.155 4 P CA 0.000 63.038 63.100 -0.103 0.000 0.800 4 P CB 0.000 31.659 31.700 -0.068 0.000 0.726 5 S N -0.121 115.492 115.700 -0.146 0.000 3.884 5 S HA 0.677 5.147 4.470 -0.000 0.000 0.212 5 S C 0.747 175.260 174.600 -0.145 0.000 1.037 5 S CA -0.422 57.699 58.200 -0.133 0.000 1.611 5 S CB 0.906 64.020 63.200 -0.143 0.000 0.898 5 S HN 0.212 nan 8.310 nan 0.000 0.672 6 M N -0.572 118.927 119.600 -0.169 0.000 3.401 6 M HA 0.441 4.921 4.480 -0.000 0.000 0.488 6 M C -0.089 175.999 176.300 -0.354 0.000 1.561 6 M CA 0.099 55.304 55.300 -0.159 0.000 0.745 6 M CB 0.128 32.734 32.600 0.009 0.000 1.531 6 M HN 0.589 nan 8.290 nan 0.000 0.548 7 M N 0.347 119.644 119.600 -0.505 0.000 3.049 7 M HA 0.306 4.786 4.480 -0.000 0.000 0.234 7 M C -1.376 174.413 176.300 -0.851 0.000 1.632 7 M CA 0.396 55.282 55.300 -0.689 0.000 1.259 7 M CB 0.402 32.867 32.600 -0.224 0.000 1.199 7 M HN -0.118 nan 8.290 nan 0.000 0.580 8 P HA -0.044 nan 4.420 nan 0.000 0.277 8 P C -0.564 176.241 177.300 -0.826 0.000 1.617 8 P CA 0.741 63.443 63.100 -0.664 0.000 0.829 8 P CB -0.414 30.726 31.700 -0.934 0.000 1.774 9 Q N -1.662 117.520 119.800 -1.031 0.000 2.317 9 Q HA 0.084 4.424 4.340 -0.000 0.000 0.220 9 Q C 0.670 176.142 176.000 -0.880 0.000 0.873 9 Q CA 0.540 55.727 55.803 -1.028 0.000 0.936 9 Q CB 0.249 28.219 28.738 -1.279 0.000 1.105 9 Q HN 0.537 nan 8.270 nan 0.000 0.520 10 W N -0.141 121.153 121.300 -0.010 0.000 1.479 10 W HA 0.346 5.006 4.660 -0.000 0.000 0.224 10 W C 0.478 177.031 176.519 0.056 0.000 0.799 10 W CA -0.356 56.986 57.345 -0.005 0.000 1.149 10 W CB -0.294 29.169 29.460 0.006 0.000 0.935 10 W HN -0.035 nan 8.180 nan 0.000 0.454 11 S N -1.036 114.715 115.700 0.085 0.000 2.512 11 S HA 0.146 4.616 4.470 -0.000 0.000 0.216 11 S C 1.031 175.783 174.600 0.253 0.000 1.006 11 S CA 0.282 58.575 58.200 0.155 0.000 0.915 11 S CB 0.221 63.466 63.200 0.076 0.000 0.824 11 S HN 0.199 nan 8.310 nan 0.000 0.497 12 Y N 1.200 121.417 120.300 -0.138 0.000 2.422 12 Y HA 0.223 4.773 4.550 -0.000 0.000 0.291 12 Y C 1.760 177.557 175.900 -0.172 0.000 1.144 12 Y CA 0.049 58.061 58.100 -0.146 0.000 1.208 12 Y CB 0.359 38.712 38.460 -0.179 0.000 1.195 12 Y HN 0.215 nan 8.280 nan 0.000 0.535 13 M N 0.114 119.644 119.600 -0.117 0.000 2.603 13 M HA 0.256 4.736 4.480 -0.000 0.000 0.380 13 M C -0.269 175.379 176.300 -1.087 0.000 1.158 13 M CA -0.014 55.003 55.300 -0.472 0.000 0.921 13 M CB -1.490 30.893 32.600 -0.361 0.000 1.417 13 M HN 0.451 nan 8.290 nan 0.000 0.523 14 H N -0.450 118.572 119.070 -0.079 0.000 2.636 14 H HA -0.193 4.363 4.556 -0.000 0.000 0.312 14 H C 0.922 176.324 175.328 0.124 0.000 1.106 14 H CA 0.781 56.846 56.048 0.028 0.000 1.139 14 H CB -2.093 27.550 29.762 -0.199 0.000 1.423 14 H HN 0.424 nan 8.280 nan 0.000 0.407 15 I N 0.576 121.129 120.570 -0.028 0.000 2.181 15 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 15 I C 1.477 177.647 176.117 0.089 0.000 1.006 15 I CA 2.485 63.817 61.300 0.052 0.000 1.284 15 I CB -0.427 37.767 38.000 0.323 0.000 0.990 15 I HN 0.652 nan 8.210 nan 0.000 0.408 16 S N -2.396 113.361 115.700 0.094 0.000 2.841 16 S HA 0.690 5.160 4.470 -0.000 0.000 0.318 16 S C 0.761 175.407 174.600 0.077 0.000 1.127 16 S CA -0.231 57.981 58.200 0.020 0.000 0.883 16 S CB 1.643 64.737 63.200 -0.177 0.000 1.271 16 S HN 0.630 nan 8.310 nan 0.000 0.567 17 G N 0.565 109.375 108.800 0.017 0.000 5.266 17 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.262 17 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.262 17 G C -0.043 174.898 174.900 0.068 0.000 1.359 17 G CA 0.671 45.789 45.100 0.030 0.000 0.955 17 G HN 0.813 nan 8.290 nan 0.000 0.754 18 Q N 2.516 122.403 119.800 0.146 0.000 2.286 18 Q HA 0.506 4.846 4.340 -0.000 0.000 0.267 18 Q C 0.168 176.167 176.000 -0.002 0.000 1.028 18 Q CA 0.344 56.189 55.803 0.070 0.000 0.901 18 Q CB 1.021 29.887 28.738 0.214 0.000 1.183 18 Q HN 0.576 nan 8.270 nan 0.000 0.392 19 D N 0.590 120.888 120.400 -0.169 0.000 2.446 19 D HA 0.272 4.912 4.640 -0.000 0.000 0.288 19 D C 0.805 176.942 176.300 -0.271 0.000 1.195 19 D CA 0.077 54.012 54.000 -0.108 0.000 1.095 19 D CB 0.160 40.931 40.800 -0.047 0.000 1.153 19 D HN 0.502 nan 8.370 nan 0.000 0.568 20 A N -0.596 122.172 122.820 -0.088 0.000 2.266 20 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 20 A C 0.497 178.003 177.584 -0.130 0.000 1.178 20 A CA 1.983 53.986 52.037 -0.056 0.000 0.678 20 A CB -0.675 18.311 19.000 -0.023 0.000 0.789 20 A HN 0.468 nan 8.150 nan 0.000 0.486 21 S N -2.710 112.824 115.700 -0.277 0.000 2.754 21 S HA 0.315 4.785 4.470 -0.000 0.000 0.145 21 S C -0.328 174.134 174.600 -0.230 0.000 0.915 21 S CA 0.018 58.094 58.200 -0.208 0.000 0.981 21 S CB -0.959 62.189 63.200 -0.087 0.000 1.697 21 S HN 0.554 nan 8.310 nan 0.000 0.543 22 E N 0.462 120.415 120.200 -0.412 0.000 2.661 22 E HA 0.082 4.432 4.350 -0.000 0.000 0.202 22 E C 0.720 177.268 176.600 -0.087 0.000 0.911 22 E CA 0.002 56.272 56.400 -0.217 0.000 1.581 22 E CB -0.249 29.336 29.700 -0.192 0.000 1.667 22 E HN 0.565 nan 8.360 nan 0.000 0.911 23 Y N 1.980 122.308 120.300 0.047 0.000 2.519 23 Y HA 0.289 4.839 4.550 -0.000 0.000 0.287 23 Y C 0.989 176.915 175.900 0.044 0.000 1.128 23 Y CA -0.830 57.298 58.100 0.046 0.000 1.282 23 Y CB -1.384 37.095 38.460 0.032 0.000 1.027 23 Y HN -0.117 nan 8.280 nan 0.000 0.551 24 L N 0.483 122.080 121.223 0.624 0.000 2.476 24 L HA 0.399 4.739 4.340 -0.000 0.000 0.255 24 L C 0.690 177.678 176.870 0.197 0.000 1.218 24 L CA -0.521 54.571 54.840 0.420 0.000 0.819 24 L CB 0.039 42.320 42.059 0.370 0.000 1.119 24 L HN 0.102 nan 8.230 nan 0.000 0.485 25 S N -0.983 114.807 115.700 0.151 0.000 2.473 25 S HA 0.462 4.932 4.470 -0.000 0.000 0.312 25 S C -2.342 172.304 174.600 0.077 0.000 1.087 25 S CA -1.329 56.928 58.200 0.095 0.000 1.077 25 S CB -0.261 62.986 63.200 0.077 0.000 1.065 25 S HN 0.533 nan 8.310 nan 0.000 0.510 26 P HA 0.203 nan 4.420 nan 0.000 0.253 26 P C 0.918 178.244 177.300 0.043 0.000 1.170 26 P CA 0.783 63.912 63.100 0.048 0.000 0.806 26 P CB -0.067 31.655 31.700 0.037 0.000 0.775 27 G N 2.017 110.844 108.800 0.046 0.000 4.470 27 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.220 27 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.220 27 G C 0.220 175.152 174.900 0.054 0.000 0.780 27 G CA -0.159 44.967 45.100 0.043 0.000 0.977 27 G HN 0.496 nan 8.290 nan 0.000 0.749 28 L N -2.056 119.204 121.223 0.061 0.000 3.174 28 L HA 0.486 4.826 4.340 -0.000 0.000 0.283 28 L C 1.457 178.378 176.870 0.084 0.000 1.187 28 L CA -0.194 54.691 54.840 0.075 0.000 1.018 28 L CB 0.238 42.321 42.059 0.041 0.000 1.433 28 L HN -0.103 nan 8.230 nan 0.000 0.593 29 V N -0.344 119.611 119.914 0.067 0.000 3.506 29 V HA 0.050 4.170 4.120 -0.000 0.000 0.263 29 V C 1.625 177.775 176.094 0.094 0.000 1.203 29 V CA 0.636 62.971 62.300 0.058 0.000 1.133 29 V CB -0.153 31.688 31.823 0.031 0.000 0.802 29 V HN 0.430 nan 8.190 nan 0.000 0.459 30 Q N 0.487 120.352 119.800 0.109 0.000 2.639 30 Q HA 0.257 4.597 4.340 -0.000 0.000 0.301 30 Q C -0.642 175.501 176.000 0.239 0.000 1.029 30 Q CA -0.003 55.867 55.803 0.111 0.000 0.936 30 Q CB -0.215 28.558 28.738 0.057 0.000 1.354 30 Q HN 0.663 nan 8.270 nan 0.000 0.417 31 F N -0.714 119.243 119.950 0.012 0.000 3.659 31 F HA 0.111 4.638 4.527 -0.000 0.000 0.486 31 F C -0.780 175.033 175.800 0.022 0.000 0.743 31 F CA -0.138 57.877 58.000 0.026 0.000 1.610 31 F CB -0.402 38.612 39.000 0.024 0.000 2.639 31 F HN 0.101 nan 8.300 nan 0.000 0.737 32 A N 2.255 125.060 122.820 -0.024 0.000 2.423 32 A HA 0.395 4.715 4.320 -0.000 0.000 0.210 32 A C 0.405 177.947 177.584 -0.070 0.000 2.187 32 A CA -0.154 51.820 52.037 -0.104 0.000 1.488 32 A CB 0.101 19.056 19.000 -0.074 0.000 0.837 32 A HN 0.447 nan 8.150 nan 0.000 0.547 33 R N -1.290 119.183 120.500 -0.044 0.000 2.451 33 R HA 0.326 4.666 4.340 -0.000 0.000 0.320 33 R C 0.764 177.051 176.300 -0.022 0.000 0.731 33 R CA 0.940 57.017 56.100 -0.037 0.000 0.978 33 R CB 0.581 30.872 30.300 -0.015 0.000 1.654 33 R HN 0.513 nan 8.270 nan 0.000 0.520 34 A N -0.547 122.263 122.820 -0.017 0.000 2.048 34 A HA 0.090 4.410 4.320 -0.000 0.000 0.197 34 A C 0.978 178.522 177.584 -0.068 0.000 1.486 34 A CA 0.586 52.656 52.037 0.055 0.000 1.029 34 A CB 0.854 20.024 19.000 0.284 0.000 1.101 34 A HN 0.050 nan 8.150 nan 0.000 0.470 35 T N -0.261 114.162 114.554 -0.219 0.000 3.393 35 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 35 T C 0.229 174.789 174.700 -0.233 0.000 1.008 35 T CA 0.069 61.997 62.100 -0.286 0.000 1.053 35 T CB -0.232 68.404 68.868 -0.386 0.000 1.120 35 T HN 0.387 nan 8.240 nan 0.000 0.538 36 E N 0.629 120.679 120.200 -0.249 0.000 2.419 36 E HA 0.107 4.457 4.350 -0.000 0.000 0.190 36 E C 0.597 177.098 176.600 -0.166 0.000 1.040 36 E CA 0.249 56.554 56.400 -0.158 0.000 0.900 36 E CB 0.295 29.925 29.700 -0.117 0.000 1.054 36 E HN 0.714 nan 8.360 nan 0.000 0.462 37 T N -1.070 113.331 114.554 -0.255 0.000 3.409 37 T HA -0.052 4.298 4.350 -0.000 0.000 0.242 37 T C 0.942 175.573 174.700 -0.115 0.000 1.000 37 T CA 0.023 62.003 62.100 -0.200 0.000 1.180 37 T CB -0.780 67.942 68.868 -0.242 0.000 1.210 37 T HN 0.239 nan 8.240 nan 0.000 0.373 38 Y N 1.496 121.774 120.300 -0.037 0.000 2.497 38 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 38 Y C -0.395 175.481 175.900 -0.039 0.000 1.204 38 Y CA -2.602 55.465 58.100 -0.056 0.000 1.265 38 Y CB -1.413 37.058 38.460 0.019 0.000 1.121 38 Y HN 0.251 nan 8.280 nan 0.000 0.493 39 F N 0.157 120.190 119.950 0.138 0.000 3.642 39 F HA 0.023 4.550 4.527 -0.000 0.000 0.488 39 F C -0.325 175.453 175.800 -0.037 0.000 0.736 39 F CA -0.854 57.176 58.000 0.050 0.000 1.571 39 F CB -0.716 38.319 39.000 0.058 0.000 2.776 39 F HN 0.026 nan 8.300 nan 0.000 0.716 40 S N 2.568 118.297 115.700 0.049 0.000 2.543 40 S HA 0.683 5.153 4.470 -0.000 0.000 0.299 40 S C -0.310 174.297 174.600 0.011 0.000 1.125 40 S CA -0.307 57.891 58.200 -0.003 0.000 1.098 40 S CB -0.081 63.089 63.200 -0.050 0.000 1.063 40 S HN 0.358 nan 8.310 nan 0.000 0.493 41 L N 4.623 125.863 121.223 0.028 0.000 2.935 41 L HA 0.444 4.784 4.340 -0.000 0.000 0.243 41 L C 1.113 177.979 176.870 -0.007 0.000 1.313 41 L CA -0.087 54.769 54.840 0.025 0.000 0.969 41 L CB -0.262 41.833 42.059 0.060 0.000 1.320 41 L HN 0.588 nan 8.230 nan 0.000 0.511 42 N N 1.975 120.670 118.700 -0.007 0.000 2.678 42 N HA -0.104 4.636 4.740 -0.000 0.000 0.199 42 N C 0.523 176.055 175.510 0.037 0.000 1.353 42 N CA 0.302 53.351 53.050 -0.002 0.000 0.916 42 N CB 0.085 38.571 38.487 -0.002 0.000 1.057 42 N HN 0.592 nan 8.380 nan 0.000 0.449 43 N N -0.591 118.136 118.700 0.044 0.000 2.387 43 N HA 0.056 4.796 4.740 -0.000 0.000 0.259 43 N C 0.461 176.033 175.510 0.104 0.000 1.369 43 N CA -0.299 52.803 53.050 0.087 0.000 0.867 43 N CB 0.233 38.760 38.487 0.066 0.000 1.341 43 N HN -0.223 nan 8.380 nan 0.000 0.495 44 K N 0.059 120.494 120.400 0.060 0.000 2.366 44 K HA 0.315 4.635 4.320 -0.000 0.000 0.198 44 K C 0.355 177.134 176.600 0.299 0.000 1.044 44 K CA 0.594 56.917 56.287 0.060 0.000 0.973 44 K CB -0.109 32.316 32.500 -0.124 0.000 0.767 44 K HN 0.365 nan 8.250 nan 0.000 0.475 45 F N -0.704 119.310 119.950 0.107 0.000 2.362 45 F HA 0.227 4.754 4.527 -0.000 0.000 0.264 45 F C 0.392 176.298 175.800 0.177 0.000 0.905 45 F CA -0.590 57.519 58.000 0.181 0.000 1.142 45 F CB 0.831 39.952 39.000 0.200 0.000 1.250 45 F HN -0.134 nan 8.300 nan 0.000 0.771 46 R N 1.143 121.885 120.500 0.404 0.000 5.308 46 R HA -0.134 4.206 4.340 -0.000 0.000 0.208 46 R C -2.264 174.204 176.300 0.280 0.000 0.875 46 R CA -0.353 55.898 56.100 0.251 0.000 1.089 46 R CB -0.898 29.517 30.300 0.191 0.000 1.375 46 R HN 0.204 nan 8.270 nan 0.000 0.589 47 N N 2.737 121.546 118.700 0.181 0.000 2.739 47 N HA 0.315 5.055 4.740 -0.000 0.000 0.266 47 N C -2.152 173.443 175.510 0.142 0.000 1.168 47 N CA -1.372 51.770 53.050 0.153 0.000 1.055 47 N CB 0.573 39.111 38.487 0.086 0.000 1.393 47 N HN 0.280 nan 8.380 nan 0.000 0.514 48 P HA -0.005 nan 4.420 nan 0.000 0.282 48 P C -0.497 176.850 177.300 0.079 0.000 1.273 48 P CA 0.165 63.357 63.100 0.154 0.000 0.809 48 P CB 0.273 32.119 31.700 0.244 0.000 1.246 49 T N -1.712 112.869 114.554 0.044 0.000 2.799 49 T HA 0.338 4.688 4.350 -0.000 0.000 0.286 49 T C 0.452 175.150 174.700 -0.004 0.000 0.973 49 T CA -0.501 61.602 62.100 0.006 0.000 1.035 49 T CB 1.292 70.145 68.868 -0.026 0.000 0.932 49 T HN 0.110 nan 8.240 nan 0.000 0.469 50 V N 1.015 120.923 119.914 -0.009 0.000 3.480 50 V HA 0.475 4.595 4.120 -0.000 0.000 0.263 50 V C 0.933 177.017 176.094 -0.017 0.000 1.442 50 V CA 0.199 62.491 62.300 -0.013 0.000 1.053 50 V CB 0.035 31.852 31.823 -0.011 0.000 0.846 50 V HN 1.092 nan 8.190 nan 0.000 0.440 51 A N 3.001 125.808 122.820 -0.022 0.000 2.302 51 A HA 0.666 4.986 4.320 -0.000 0.000 0.295 51 A C -1.618 175.924 177.584 -0.070 0.000 1.235 51 A CA -1.007 51.013 52.037 -0.028 0.000 0.876 51 A CB -0.407 18.581 19.000 -0.020 0.000 1.133 51 A HN 0.431 nan 8.150 nan 0.000 0.533 52 P HA 0.012 nan 4.420 nan 0.000 0.274 52 P C 0.367 177.455 177.300 -0.354 0.000 1.248 52 P CA 0.742 63.717 63.100 -0.208 0.000 0.827 52 P CB 0.247 31.838 31.700 -0.181 0.000 0.972 53 T N -4.472 109.831 114.554 -0.417 0.000 4.047 53 T HA 0.205 4.555 4.350 -0.000 0.000 0.286 53 T C 0.815 175.357 174.700 -0.263 0.000 0.945 53 T CA -0.348 61.551 62.100 -0.335 0.000 1.079 53 T CB -1.166 67.601 68.868 -0.168 0.000 1.094 53 T HN 0.458 nan 8.240 nan 0.000 0.492 54 H N 0.734 119.785 119.070 -0.031 0.000 2.446 54 H HA -0.009 4.547 4.556 -0.000 0.000 0.296 54 H C 1.892 177.201 175.328 -0.031 0.000 1.047 54 H CA 1.921 57.952 56.048 -0.029 0.000 1.156 54 H CB -0.670 29.078 29.762 -0.024 0.000 1.405 54 H HN 0.321 nan 8.280 nan 0.000 0.588 55 D N 1.044 121.587 120.400 0.239 0.000 2.120 55 D HA -0.065 4.575 4.640 -0.000 0.000 0.202 55 D C 0.900 177.217 176.300 0.030 0.000 0.972 55 D CA 1.582 55.642 54.000 0.099 0.000 0.837 55 D CB 0.056 40.913 40.800 0.095 0.000 0.989 55 D HN 0.310 nan 8.370 nan 0.000 0.469 56 V N -1.204 118.720 119.914 0.015 0.000 2.994 56 V HA -0.319 3.801 4.120 -0.000 0.000 0.287 56 V C 0.728 176.773 176.094 -0.082 0.000 2.464 56 V CA 0.873 63.141 62.300 -0.054 0.000 2.170 56 V CB -2.164 29.618 31.823 -0.069 0.000 1.557 56 V HN 0.254 nan 8.190 nan 0.000 0.488 57 T N 0.740 115.231 114.554 -0.105 0.000 2.902 57 T HA 0.147 4.497 4.350 -0.000 0.000 0.317 57 T C 0.597 175.224 174.700 -0.122 0.000 1.064 57 T CA 1.136 63.158 62.100 -0.130 0.000 1.130 57 T CB -0.299 68.519 68.868 -0.084 0.000 1.073 57 T HN 1.231 nan 8.240 nan 0.000 0.524 58 T N 4.705 119.161 114.554 -0.163 0.000 2.758 58 T HA -0.013 4.337 4.350 -0.000 0.000 0.281 58 T C 0.993 175.610 174.700 -0.138 0.000 0.963 58 T CA -0.429 61.547 62.100 -0.206 0.000 1.201 58 T CB 0.101 68.787 68.868 -0.305 0.000 0.906 58 T HN 0.510 nan 8.240 nan 0.000 0.528 59 D N 3.226 123.558 120.400 -0.113 0.000 2.378 59 D HA -0.006 4.634 4.640 -0.000 0.000 0.227 59 D C 1.099 177.357 176.300 -0.070 0.000 1.012 59 D CA 0.544 54.501 54.000 -0.073 0.000 0.905 59 D CB 0.300 41.068 40.800 -0.053 0.000 0.895 59 D HN 0.423 nan 8.370 nan 0.000 0.532 60 R N 0.017 120.456 120.500 -0.102 0.000 2.603 60 R HA 0.465 4.805 4.340 -0.000 0.000 0.231 60 R C 0.222 176.489 176.300 -0.055 0.000 1.263 60 R CA -0.619 55.433 56.100 -0.080 0.000 1.102 60 R CB 0.612 30.849 30.300 -0.105 0.000 1.527 60 R HN -0.075 nan 8.270 nan 0.000 0.554 61 S N 0.384 116.065 115.700 -0.031 0.000 2.552 61 S HA 0.347 4.817 4.470 -0.000 0.000 0.314 61 S C -1.153 173.454 174.600 0.011 0.000 1.099 61 S CA -0.742 57.453 58.200 -0.008 0.000 1.070 61 S CB 0.606 63.805 63.200 -0.002 0.000 0.998 61 S HN 0.501 nan 8.310 nan 0.000 0.474 62 Q N 3.277 123.092 119.800 0.024 0.000 2.553 62 Q HA 0.559 4.899 4.340 -0.000 0.000 0.293 62 Q C -0.747 175.281 176.000 0.047 0.000 1.038 62 Q CA -1.236 54.597 55.803 0.050 0.000 0.777 62 Q CB 1.631 30.421 28.738 0.087 0.000 1.487 62 Q HN 0.683 nan 8.270 nan 0.000 0.426 63 R N 0.016 120.542 120.500 0.043 0.000 2.523 63 R HA 0.689 5.029 4.340 -0.000 0.000 0.229 63 R C -0.798 175.523 176.300 0.035 0.000 1.265 63 R CA -0.580 55.534 56.100 0.024 0.000 1.081 63 R CB 0.744 31.043 30.300 -0.001 0.000 1.540 63 R HN 0.681 nan 8.270 nan 0.000 0.560 64 L N 1.577 122.803 121.223 0.005 0.000 2.588 64 L HA 0.257 4.597 4.340 -0.000 0.000 0.256 64 L C -1.600 175.243 176.870 -0.045 0.000 1.083 64 L CA -0.478 54.361 54.840 -0.000 0.000 0.909 64 L CB 1.642 43.732 42.059 0.052 0.000 1.121 64 L HN 1.031 nan 8.230 nan 0.000 0.470 65 T N -0.082 114.405 114.554 -0.112 0.000 2.910 65 T HA 0.193 4.543 4.350 -0.000 0.000 0.397 65 T C -1.266 173.338 174.700 -0.160 0.000 1.591 65 T CA -0.851 61.177 62.100 -0.121 0.000 1.026 65 T CB -0.332 68.529 68.868 -0.012 0.000 1.834 65 T HN 0.438 nan 8.240 nan 0.000 0.479 66 L N 0.817 121.849 121.223 -0.318 0.000 2.612 66 L HA 0.630 4.970 4.340 -0.000 0.000 0.256 66 L C 0.490 176.848 176.870 -0.855 0.000 0.949 66 L CA -1.291 53.290 54.840 -0.433 0.000 0.867 66 L CB 1.895 43.780 42.059 -0.290 0.000 1.417 66 L HN 0.906 nan 8.230 nan 0.000 0.414 67 R N 1.159 121.249 120.500 -0.683 0.000 3.160 67 R HA 0.117 4.457 4.340 -0.000 0.000 0.289 67 R C -1.121 174.813 176.300 -0.611 0.000 1.014 67 R CA 0.744 56.458 56.100 -0.644 0.000 1.188 67 R CB 0.019 30.192 30.300 -0.211 0.000 1.177 67 R HN 0.459 nan 8.270 nan 0.000 0.523 68 F N 0.225 120.021 119.950 -0.258 0.000 2.787 68 F HA 0.286 4.813 4.527 -0.000 0.000 0.340 68 F C -0.494 175.377 175.800 0.118 0.000 1.232 68 F CA -0.921 56.988 58.000 -0.152 0.000 1.051 68 F CB 1.195 39.834 39.000 -0.601 0.000 1.330 68 F HN 0.241 nan 8.300 nan 0.000 0.522 69 I N 4.588 125.389 120.570 0.387 0.000 2.428 69 I HA 0.331 4.501 4.170 -0.000 0.000 0.279 69 I C -2.612 173.629 176.117 0.206 0.000 1.040 69 I CA -2.035 59.419 61.300 0.258 0.000 1.171 69 I CB 0.773 38.863 38.000 0.151 0.000 1.312 69 I HN 0.149 nan 8.210 nan 0.000 0.470 70 P HA 0.090 nan 4.420 nan 0.000 0.284 70 P C 0.896 178.159 177.300 -0.062 0.000 1.343 70 P CA -0.289 62.766 63.100 -0.075 0.000 0.826 70 P CB 1.485 32.982 31.700 -0.340 0.000 0.956 71 V N -0.068 119.818 119.914 -0.046 0.000 3.444 71 V HA 0.026 4.146 4.120 -0.000 0.000 0.271 71 V C 0.805 176.856 176.094 -0.071 0.000 1.188 71 V CA 0.904 63.181 62.300 -0.038 0.000 1.168 71 V CB -0.980 30.830 31.823 -0.021 0.000 0.810 71 V HN 0.478 nan 8.190 nan 0.000 0.500 72 D N 1.486 121.814 120.400 -0.120 0.000 2.375 72 D HA 0.261 4.901 4.640 -0.000 0.000 0.259 72 D C -0.298 175.875 176.300 -0.211 0.000 1.235 72 D CA -0.441 53.470 54.000 -0.150 0.000 0.924 72 D CB 1.420 42.125 40.800 -0.158 0.000 1.143 72 D HN 0.495 nan 8.370 nan 0.000 0.529 73 R N 2.389 122.785 120.500 -0.173 0.000 2.338 73 R HA 0.520 4.860 4.340 -0.000 0.000 0.317 73 R C -1.090 175.101 176.300 -0.180 0.000 0.968 73 R CA -0.317 55.663 56.100 -0.201 0.000 0.849 73 R CB 1.155 31.377 30.300 -0.130 0.000 1.128 73 R HN 0.164 nan 8.270 nan 0.000 0.448 74 E N 2.578 122.637 120.200 -0.234 0.000 2.356 74 E HA 0.514 4.864 4.350 -0.000 0.000 0.275 74 E C -1.617 174.848 176.600 -0.225 0.000 0.904 74 E CA -0.926 55.357 56.400 -0.195 0.000 0.757 74 E CB 2.447 32.034 29.700 -0.189 0.000 1.232 74 E HN 0.669 nan 8.360 nan 0.000 0.442 75 D N -0.922 119.398 120.400 -0.134 0.000 3.064 75 D HA 0.318 4.958 4.640 -0.000 0.000 0.288 75 D C -0.930 175.375 176.300 0.008 0.000 1.140 75 D CA 0.127 54.079 54.000 -0.079 0.000 0.725 75 D CB 1.573 42.301 40.800 -0.119 0.000 1.295 75 D HN 0.432 nan 8.370 nan 0.000 0.448 76 T N -1.092 113.502 114.554 0.066 0.000 3.394 76 T HA 0.575 4.925 4.350 -0.000 0.000 0.084 76 T C 0.381 175.153 174.700 0.120 0.000 0.601 76 T CA 1.302 63.445 62.100 0.072 0.000 0.581 76 T CB -1.092 67.796 68.868 0.032 0.000 0.981 76 T HN 0.616 nan 8.240 nan 0.000 0.209 77 A N 0.855 123.750 122.820 0.125 0.000 2.974 77 A HA 0.234 4.554 4.320 -0.000 0.000 0.295 77 A C 1.640 179.429 177.584 0.341 0.000 1.068 77 A CA 1.677 53.809 52.037 0.158 0.000 1.333 77 A CB -1.450 17.618 19.000 0.114 0.000 1.196 77 A HN 0.990 nan 8.150 nan 0.000 0.597 78 Y N -0.905 119.467 120.300 0.119 0.000 2.176 78 Y HA 0.097 4.647 4.550 -0.000 0.000 0.291 78 Y C 1.432 177.495 175.900 0.271 0.000 1.122 78 Y CA 0.161 58.382 58.100 0.202 0.000 1.128 78 Y CB -1.135 37.489 38.460 0.273 0.000 1.005 78 Y HN 0.373 nan 8.280 nan 0.000 0.509 79 S N 1.414 117.142 115.700 0.047 0.000 3.448 79 S HA -0.236 4.234 4.470 -0.000 0.000 0.408 79 S C -0.936 173.712 174.600 0.080 0.000 1.128 79 S CA -0.001 58.125 58.200 -0.123 0.000 1.339 79 S CB -1.315 61.763 63.200 -0.203 0.000 0.915 79 S HN 0.470 nan 8.310 nan 0.000 0.546 80 Y N 2.829 123.117 120.300 -0.020 0.000 2.802 80 Y HA 0.332 4.882 4.550 -0.000 0.000 0.330 80 Y C 0.626 176.437 175.900 -0.149 0.000 1.193 80 Y CA -0.570 57.529 58.100 -0.001 0.000 1.427 80 Y CB 0.215 38.769 38.460 0.157 0.000 1.357 80 Y HN 0.604 nan 8.280 nan 0.000 0.501 81 K N 2.602 122.689 120.400 -0.522 0.000 2.098 81 K HA 0.830 5.150 4.320 -0.000 0.000 0.244 81 K C -1.174 175.064 176.600 -0.603 0.000 1.014 81 K CA -0.348 55.625 56.287 -0.524 0.000 0.917 81 K CB 0.879 33.138 32.500 -0.401 0.000 1.072 81 K HN 0.575 nan 8.250 nan 0.000 0.477 82 A N 2.040 124.509 122.820 -0.584 0.000 2.472 82 A HA 0.162 4.482 4.320 -0.000 0.000 0.312 82 A C -1.372 175.647 177.584 -0.941 0.000 1.023 82 A CA -0.715 50.912 52.037 -0.682 0.000 0.938 82 A CB 0.832 19.440 19.000 -0.654 0.000 1.176 82 A HN 0.629 nan 8.150 nan 0.000 0.366 83 R N 3.434 123.483 120.500 -0.752 0.000 2.937 83 R HA 0.456 4.796 4.340 -0.000 0.000 0.264 83 R C -1.102 174.865 176.300 -0.556 0.000 1.334 83 R CA -0.313 55.405 56.100 -0.638 0.000 1.516 83 R CB -0.568 29.520 30.300 -0.352 0.000 1.187 83 R HN 0.551 nan 8.270 nan 0.000 0.609 84 F N 0.453 120.243 119.950 -0.266 0.000 2.440 84 F HA 0.211 4.738 4.527 -0.000 0.000 0.323 84 F C 1.511 177.202 175.800 -0.182 0.000 1.192 84 F CA -0.337 57.519 58.000 -0.239 0.000 1.252 84 F CB -0.019 38.669 39.000 -0.520 0.000 1.214 84 F HN 0.107 nan 8.300 nan 0.000 0.578 85 T N 0.783 115.418 114.554 0.135 0.000 2.729 85 T HA 0.629 4.979 4.350 -0.000 0.000 0.298 85 T C -0.089 174.719 174.700 0.181 0.000 1.013 85 T CA -0.398 61.772 62.100 0.118 0.000 0.957 85 T CB 0.861 69.799 68.868 0.116 0.000 1.130 85 T HN 0.411 nan 8.240 nan 0.000 0.526 86 L N -0.743 120.595 121.223 0.192 0.000 2.579 86 L HA 0.723 5.063 4.340 -0.000 0.000 0.242 86 L C -1.044 175.962 176.870 0.226 0.000 1.115 86 L CA -0.677 54.315 54.840 0.253 0.000 1.066 86 L CB 0.638 42.854 42.059 0.262 0.000 1.588 86 L HN 1.102 nan 8.230 nan 0.000 0.391 87 A N -0.719 122.255 122.820 0.256 0.000 2.435 87 A HA 0.233 4.553 4.320 -0.000 0.000 0.686 87 A C -1.073 176.638 177.584 0.211 0.000 0.138 87 A CA -0.224 51.976 52.037 0.271 0.000 0.024 87 A CB -1.583 17.549 19.000 0.220 0.000 3.974 87 A HN 0.578 nan 8.150 nan 0.000 0.548 88 V N 1.504 121.567 119.914 0.248 0.000 3.302 88 V HA 0.909 5.029 4.120 -0.000 0.000 0.316 88 V C 1.341 177.554 176.094 0.198 0.000 1.111 88 V CA 0.038 62.463 62.300 0.209 0.000 1.029 88 V CB 1.786 33.758 31.823 0.248 0.000 1.170 88 V HN 2.107 nan 8.190 nan 0.000 0.452 89 G N -0.930 107.990 108.800 0.201 0.000 2.788 89 G HA2 0.554 4.514 3.960 -0.000 0.000 0.293 89 G HA3 0.554 4.514 3.960 -0.000 0.000 0.293 89 G C -1.201 173.792 174.900 0.154 0.000 1.305 89 G CA -0.611 44.586 45.100 0.162 0.000 1.005 89 G HN 0.617 nan 8.290 nan 0.000 0.496 90 D N 0.093 120.556 120.400 0.105 0.000 2.307 90 D HA -0.043 4.597 4.640 -0.000 0.000 0.234 90 D C 0.873 177.191 176.300 0.030 0.000 1.308 90 D CA 0.339 54.372 54.000 0.056 0.000 0.886 90 D CB 0.332 41.149 40.800 0.029 0.000 1.202 90 D HN 0.372 nan 8.370 nan 0.000 0.479 91 N N 1.058 119.710 118.700 -0.080 0.000 2.931 91 N HA -0.277 4.463 4.740 -0.000 0.000 0.281 91 N C -0.730 174.726 175.510 -0.091 0.000 1.041 91 N CA 0.837 53.761 53.050 -0.211 0.000 0.887 91 N CB -1.066 37.069 38.487 -0.587 0.000 0.913 91 N HN 0.336 nan 8.380 nan 0.000 0.609 92 R N -1.223 119.289 120.500 0.020 0.000 2.515 92 R HA 0.722 5.062 4.340 -0.000 0.000 0.291 92 R C -0.849 175.197 176.300 -0.423 0.000 1.046 92 R CA -0.838 55.269 56.100 0.010 0.000 0.914 92 R CB 1.689 32.164 30.300 0.292 0.000 1.191 92 R HN -0.056 nan 8.270 nan 0.000 0.435 93 V N 1.657 121.010 119.914 -0.934 0.000 3.253 93 V HA 0.610 4.730 4.120 -0.000 0.000 0.300 93 V C -0.725 174.808 176.094 -0.935 0.000 1.398 93 V CA -1.150 60.333 62.300 -1.362 0.000 1.067 93 V CB 1.841 33.422 31.823 -0.403 0.000 1.102 93 V HN 0.778 nan 8.190 nan 0.000 0.455 94 L N -0.906 120.051 121.223 -0.442 0.000 2.170 94 L HA 0.936 5.276 4.340 -0.000 0.000 0.247 94 L C -1.410 175.498 176.870 0.063 0.000 1.078 94 L CA -0.424 54.411 54.840 -0.010 0.000 0.936 94 L CB 2.471 44.673 42.059 0.239 0.000 1.528 94 L HN 0.635 nan 8.230 nan 0.000 0.455 95 D N 1.386 121.836 120.400 0.083 0.000 2.441 95 D HA 0.296 4.936 4.640 -0.000 0.000 0.287 95 D C 0.727 177.093 176.300 0.109 0.000 1.198 95 D CA -0.329 53.729 54.000 0.096 0.000 0.894 95 D CB 0.768 41.622 40.800 0.090 0.000 1.070 95 D HN 0.660 nan 8.370 nan 0.000 0.499 96 M N 0.507 120.183 119.600 0.126 0.000 2.679 96 M HA -0.277 4.203 4.480 -0.000 0.000 0.134 96 M C 0.543 176.916 176.300 0.122 0.000 0.700 96 M CA 0.891 56.265 55.300 0.123 0.000 0.429 96 M CB -2.075 30.592 32.600 0.112 0.000 1.602 96 M HN 0.434 nan 8.290 nan 0.000 0.435 97 A N 0.648 123.537 122.820 0.116 0.000 3.118 97 A HA 0.484 4.804 4.320 -0.000 0.000 0.256 97 A C 0.115 177.791 177.584 0.153 0.000 1.667 97 A CA 0.349 52.469 52.037 0.139 0.000 1.338 97 A CB -0.317 18.743 19.000 0.101 0.000 1.127 97 A HN 0.406 nan 8.150 nan 0.000 0.634 98 S N -0.030 115.773 115.700 0.172 0.000 2.317 98 S HA 0.463 4.933 4.470 -0.000 0.000 0.208 98 S C -0.558 174.131 174.600 0.148 0.000 0.849 98 S CA -0.259 58.035 58.200 0.156 0.000 1.042 98 S CB 0.211 63.471 63.200 0.100 0.000 1.316 98 S HN 1.010 nan 8.310 nan 0.000 0.386 99 T N 0.054 114.732 114.554 0.207 0.000 2.700 99 T HA 0.866 5.216 4.350 -0.000 0.000 0.307 99 T C -1.000 173.890 174.700 0.317 0.000 1.580 99 T CA -0.882 61.329 62.100 0.185 0.000 0.992 99 T CB 1.746 70.695 68.868 0.135 0.000 1.577 99 T HN 1.427 nan 8.240 nan 0.000 0.496 100 Y N -0.881 119.383 120.300 -0.061 0.000 2.963 100 Y HA 0.593 5.143 4.550 -0.000 0.000 0.402 100 Y C -2.736 173.006 175.900 -0.263 0.000 1.371 100 Y CA -1.872 56.200 58.100 -0.045 0.000 1.103 100 Y CB 0.314 38.803 38.460 0.049 0.000 3.086 100 Y HN 0.799 nan 8.280 nan 0.000 0.340 101 F N 1.510 120.760 119.950 -1.167 0.000 2.639 101 F HA 0.355 4.882 4.527 -0.000 0.000 0.326 101 F C -1.444 173.650 175.800 -1.176 0.000 1.150 101 F CA -0.815 56.498 58.000 -1.145 0.000 1.057 101 F CB 1.785 40.458 39.000 -0.546 0.000 1.300 101 F HN 0.441 nan 8.300 nan 0.000 0.486 102 D N 4.547 124.474 120.400 -0.788 0.000 2.329 102 D HA 0.590 5.230 4.640 -0.000 0.000 0.232 102 D C -0.671 175.395 176.300 -0.391 0.000 1.088 102 D CA 0.075 53.728 54.000 -0.578 0.000 0.835 102 D CB 1.068 41.687 40.800 -0.303 0.000 1.078 102 D HN 0.347 nan 8.370 nan 0.000 0.495 103 I N 1.560 121.833 120.570 -0.495 0.000 2.436 103 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 103 I C 0.631 176.593 176.117 -0.258 0.000 1.010 103 I CA -0.940 60.054 61.300 -0.510 0.000 1.098 103 I CB 1.993 39.299 38.000 -1.157 0.000 1.266 103 I HN 0.063 nan 8.210 nan 0.000 0.434 104 R N 3.498 123.950 120.500 -0.079 0.000 2.466 104 R HA 0.331 4.671 4.340 -0.000 0.000 0.279 104 R C 1.013 177.125 176.300 -0.314 0.000 0.976 104 R CA -0.306 55.764 56.100 -0.050 0.000 1.081 104 R CB -0.047 30.286 30.300 0.054 0.000 1.215 104 R HN 0.787 nan 8.270 nan 0.000 0.546 105 G N 0.551 109.300 108.800 -0.085 0.000 2.332 105 G HA2 0.202 4.162 3.960 -0.000 0.000 0.311 105 G HA3 0.202 4.162 3.960 -0.000 0.000 0.311 105 G C -0.380 174.347 174.900 -0.288 0.000 1.392 105 G CA 0.047 45.244 45.100 0.162 0.000 1.110 105 G HN 0.069 nan 8.290 nan 0.000 0.594 106 V N -0.325 119.746 119.914 0.262 0.000 3.178 106 V HA 0.643 4.763 4.120 -0.000 0.000 0.302 106 V C -0.438 175.806 176.094 0.249 0.000 1.262 106 V CA -0.626 61.873 62.300 0.332 0.000 1.030 106 V CB 1.825 33.651 31.823 0.004 0.000 1.074 106 V HN 1.014 nan 8.190 nan 0.000 0.438 107 L N -1.029 120.298 121.223 0.173 0.000 2.472 107 L HA 0.723 5.063 4.340 -0.000 0.000 0.260 107 L C -0.736 176.180 176.870 0.076 0.000 0.963 107 L CA -0.592 54.263 54.840 0.024 0.000 0.829 107 L CB 2.496 44.483 42.059 -0.120 0.000 1.348 107 L HN 0.462 nan 8.230 nan 0.000 0.408 108 D N 1.932 122.363 120.400 0.052 0.000 2.488 108 D HA -0.005 4.635 4.640 -0.000 0.000 0.260 108 D C 0.839 177.105 176.300 -0.057 0.000 1.273 108 D CA 0.334 54.379 54.000 0.077 0.000 0.912 108 D CB -0.297 40.520 40.800 0.028 0.000 0.982 108 D HN 0.482 nan 8.370 nan 0.000 0.492 109 R N 0.679 121.122 120.500 -0.095 0.000 2.543 109 R HA -0.025 4.315 4.340 -0.000 0.000 0.280 109 R C 0.534 176.568 176.300 -0.443 0.000 0.885 109 R CA 1.022 56.958 56.100 -0.274 0.000 1.130 109 R CB -0.248 29.886 30.300 -0.277 0.000 0.871 109 R HN 0.256 nan 8.270 nan 0.000 0.424 110 G N 5.461 113.951 108.800 -0.518 0.000 3.168 110 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.268 110 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.268 110 G C -2.279 172.552 174.900 -0.116 0.000 0.800 110 G CA -0.336 44.503 45.100 -0.434 0.000 0.765 110 G HN 0.627 nan 8.290 nan 0.000 0.368 111 P HA 0.125 nan 4.420 nan 0.000 0.220 111 P C 1.195 178.429 177.300 -0.110 0.000 1.115 111 P CA 1.449 64.496 63.100 -0.088 0.000 0.942 111 P CB 0.522 32.157 31.700 -0.109 0.000 0.888 112 T N -3.370 111.087 114.554 -0.162 0.000 3.269 112 T HA 0.315 4.665 4.350 -0.000 0.000 0.269 112 T C -0.069 174.558 174.700 -0.121 0.000 0.993 112 T CA -0.578 61.316 62.100 -0.343 0.000 0.909 112 T CB -1.093 67.342 68.868 -0.722 0.000 1.115 112 T HN -0.246 nan 8.240 nan 0.000 0.543 113 F N 2.637 122.469 119.950 -0.196 0.000 2.471 113 F HA 0.572 5.099 4.527 -0.000 0.000 0.353 113 F C 0.427 176.123 175.800 -0.173 0.000 1.113 113 F CA -1.022 56.882 58.000 -0.160 0.000 1.262 113 F CB 0.624 39.538 39.000 -0.143 0.000 1.146 113 F HN 0.088 nan 8.300 nan 0.000 0.578 114 K N 6.997 126.885 120.400 -0.853 0.000 2.635 114 K HA 0.242 4.562 4.320 -0.000 0.000 0.266 114 K C -2.745 173.180 176.600 -1.125 0.000 1.033 114 K CA -1.442 54.323 56.287 -0.869 0.000 0.919 114 K CB 2.097 34.356 32.500 -0.402 0.000 1.289 114 K HN 0.208 nan 8.250 nan 0.000 0.463 115 P HA 0.132 nan 4.420 nan 0.000 0.221 115 P C -1.382 175.540 177.300 -0.630 0.000 1.854 115 P CA -0.011 62.569 63.100 -0.867 0.000 0.985 115 P CB -0.585 30.747 31.700 -0.614 0.000 1.711 116 Y N -4.728 115.139 120.300 -0.721 0.000 3.024 116 Y HA 0.503 5.053 4.550 -0.000 0.000 0.383 116 Y C -1.687 174.008 175.900 -0.341 0.000 1.352 116 Y CA -1.382 56.401 58.100 -0.528 0.000 1.115 116 Y CB -0.245 38.088 38.460 -0.212 0.000 2.400 116 Y HN -0.324 nan 8.280 nan 0.000 0.394 117 S N 0.631 116.425 115.700 0.157 0.000 2.779 117 S HA 0.781 5.251 4.470 -0.000 0.000 0.293 117 S C -0.085 174.383 174.600 -0.221 0.000 1.150 117 S CA 0.066 58.312 58.200 0.076 0.000 1.057 117 S CB 0.982 64.302 63.200 0.201 0.000 1.021 117 S HN 1.308 nan 8.310 nan 0.000 0.485 118 G N 2.234 110.849 108.800 -0.307 0.000 2.564 118 G HA2 0.482 4.442 3.960 -0.000 0.000 0.139 118 G HA3 0.482 4.442 3.960 -0.000 0.000 0.139 118 G C -0.611 174.148 174.900 -0.235 0.000 1.147 118 G CA 0.212 45.091 45.100 -0.370 0.000 1.031 118 G HN 0.682 nan 8.290 nan 0.000 0.482 119 T N -2.065 112.323 114.554 -0.277 0.000 2.627 119 T HA 0.715 5.065 4.350 -0.000 0.000 0.256 119 T C 0.592 175.275 174.700 -0.027 0.000 1.358 119 T CA 1.003 63.086 62.100 -0.027 0.000 1.104 119 T CB 0.591 69.487 68.868 0.047 0.000 1.944 119 T HN 1.930 nan 8.240 nan 0.000 0.427 120 A N -0.703 122.136 122.820 0.031 0.000 1.674 120 A HA 0.609 4.929 4.320 -0.000 0.000 0.144 120 A C -1.230 176.345 177.584 -0.015 0.000 1.502 120 A CA -0.284 51.800 52.037 0.080 0.000 1.644 120 A CB -0.204 19.032 19.000 0.392 0.000 1.505 120 A HN 0.622 nan 8.150 nan 0.000 1.092 121 Y N 1.696 121.980 120.300 -0.027 0.000 2.361 121 Y HA 0.380 4.930 4.550 -0.000 0.000 0.332 121 Y C 0.418 176.275 175.900 -0.072 0.000 1.101 121 Y CA -0.285 57.806 58.100 -0.016 0.000 1.137 121 Y CB 0.754 39.249 38.460 0.059 0.000 1.207 121 Y HN 0.537 nan 8.280 nan 0.000 0.463 122 N N 0.067 118.801 118.700 0.056 0.000 2.678 122 N HA -0.291 4.449 4.740 -0.000 0.000 0.249 122 N C 0.784 176.171 175.510 -0.206 0.000 1.119 122 N CA 0.819 53.857 53.050 -0.020 0.000 0.718 122 N CB -1.378 37.141 38.487 0.053 0.000 1.060 122 N HN 0.868 nan 8.380 nan 0.000 0.552 123 A N -0.111 122.529 122.820 -0.300 0.000 2.015 123 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 123 A C 1.537 178.733 177.584 -0.646 0.000 1.163 123 A CA 0.723 52.362 52.037 -0.664 0.000 0.646 123 A CB 0.067 18.838 19.000 -0.380 0.000 0.806 123 A HN 0.307 nan 8.150 nan 0.000 0.448 124 L N 0.461 121.505 121.223 -0.298 0.000 2.998 124 L HA 0.354 4.694 4.340 -0.000 0.000 0.234 124 L C 0.608 177.422 176.870 -0.093 0.000 1.350 124 L CA 0.178 54.922 54.840 -0.159 0.000 1.202 124 L CB -1.456 40.546 42.059 -0.095 0.000 1.583 124 L HN 0.398 nan 8.230 nan 0.000 0.456 125 A N 1.528 124.283 122.820 -0.107 0.000 2.299 125 A HA 0.848 5.168 4.320 -0.000 0.000 0.332 125 A C -2.327 175.364 177.584 0.178 0.000 1.131 125 A CA -1.204 50.866 52.037 0.054 0.000 0.844 125 A CB 0.855 19.910 19.000 0.091 0.000 1.251 125 A HN 0.116 nan 8.150 nan 0.000 0.486 126 P HA 0.287 nan 4.420 nan 0.000 0.258 126 P C -1.054 176.315 177.300 0.115 0.000 1.647 126 P CA -0.516 62.654 63.100 0.117 0.000 1.099 126 P CB 0.040 31.782 31.700 0.070 0.000 1.604 127 K N 2.354 122.823 120.400 0.114 0.000 2.196 127 K HA 0.143 4.463 4.320 -0.000 0.000 0.254 127 K C 1.276 177.889 176.600 0.021 0.000 1.303 127 K CA 1.069 57.360 56.287 0.007 0.000 1.306 127 K CB -1.057 31.368 32.500 -0.125 0.000 0.803 127 K HN 0.752 nan 8.250 nan 0.000 0.469 128 G N 0.728 109.553 108.800 0.042 0.000 3.743 128 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.220 128 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.220 128 G C -0.156 174.772 174.900 0.048 0.000 0.914 128 G CA -0.176 44.947 45.100 0.038 0.000 0.851 128 G HN 0.629 nan 8.290 nan 0.000 0.573 129 A N 2.262 125.120 122.820 0.065 0.000 2.354 129 A HA 0.754 5.074 4.320 -0.000 0.000 0.281 129 A C -1.876 175.750 177.584 0.070 0.000 1.174 129 A CA -0.880 51.198 52.037 0.068 0.000 0.828 129 A CB 0.636 19.682 19.000 0.076 0.000 1.099 129 A HN 0.187 nan 8.150 nan 0.000 0.516 130 P HA 0.434 nan 4.420 nan 0.000 0.301 130 P C -0.917 176.421 177.300 0.064 0.000 1.309 130 P CA -0.828 62.308 63.100 0.060 0.000 0.782 130 P CB 0.939 32.669 31.700 0.051 0.000 1.282 131 N N -0.893 117.842 118.700 0.057 0.000 2.240 131 N HA 0.434 5.174 4.740 -0.000 0.000 0.302 131 N C -2.660 172.882 175.510 0.054 0.000 1.106 131 N CA -1.893 51.191 53.050 0.057 0.000 0.778 131 N CB 0.326 38.843 38.487 0.050 0.000 1.431 131 N HN 0.232 nan 8.380 nan 0.000 0.479 132 P HA 0.286 nan 4.420 nan 0.000 0.276 132 P C -0.320 177.007 177.300 0.044 0.000 1.264 132 P CA -0.214 62.929 63.100 0.071 0.000 0.769 132 P CB 0.217 31.976 31.700 0.097 0.000 0.840 133 C N 2.362 121.671 119.300 0.014 0.000 4.181 133 C HA 0.812 5.272 4.460 -0.000 0.000 0.301 133 C C -0.616 174.355 174.990 -0.031 0.000 4.923 133 C CA -0.513 58.509 59.018 0.006 0.000 1.620 133 C CB 0.857 28.604 27.740 0.012 0.000 5.750 133 C HN 0.549 nan 8.230 nan 0.000 0.517 134 E N -0.861 119.328 120.200 -0.018 0.000 2.429 134 E HA 0.448 4.798 4.350 -0.000 0.000 0.277 134 E C -1.067 175.598 176.600 0.108 0.000 1.130 134 E CA -0.634 55.750 56.400 -0.026 0.000 0.875 134 E CB -0.370 29.276 29.700 -0.091 0.000 1.443 134 E HN 0.853 nan 8.360 nan 0.000 0.444 135 W N 0.995 122.278 121.300 -0.029 0.000 1.941 135 W HA 0.768 5.428 4.660 -0.000 0.000 0.629 135 W C 0.026 176.558 176.519 0.023 0.000 1.517 135 W CA -0.031 57.308 57.345 -0.011 0.000 1.502 135 W CB -0.344 29.102 29.460 -0.023 0.000 3.266 135 W HN 0.559 nan 8.180 nan 0.000 0.765 167 H N 0.224 118.694 119.070 -1.000 0.000 2.585 167 H HA 0.808 5.364 4.556 -0.000 0.000 0.338 167 H C -0.409 174.577 175.328 -0.570 0.000 1.295 167 H CA 0.008 55.473 56.048 -0.972 0.000 1.356 167 H CB 1.231 29.824 29.762 -1.948 0.000 1.736 167 H HN 0.083 nan 8.280 nan 0.000 0.629 168 V N -0.049 119.777 119.914 -0.147 0.000 3.282 168 V HA 0.280 4.400 4.120 -0.000 0.000 0.295 168 V C -1.225 175.149 176.094 0.468 0.000 1.451 168 V CA -0.832 61.508 62.300 0.068 0.000 1.062 168 V CB 1.671 33.532 31.823 0.064 0.000 1.128 168 V HN 0.502 nan 8.190 nan 0.000 0.456 169 F N -0.232 119.741 119.950 0.039 0.000 3.305 169 F HA 1.023 5.550 4.527 -0.000 0.000 0.292 169 F C 0.888 176.645 175.800 -0.072 0.000 1.516 169 F CA -0.202 57.813 58.000 0.024 0.000 1.010 169 F CB 1.044 40.071 39.000 0.045 0.000 1.738 169 F HN 1.084 nan 8.300 nan 0.000 0.402 170 G N -0.085 108.778 108.800 0.104 0.000 2.369 170 G HA2 0.416 4.376 3.960 -0.000 0.000 0.295 170 G HA3 0.416 4.376 3.960 -0.000 0.000 0.295 170 G C -1.982 172.853 174.900 -0.108 0.000 1.298 170 G CA -0.652 44.409 45.100 -0.066 0.000 0.940 170 G HN 0.574 nan 8.290 nan 0.000 0.536 171 Q N -1.510 118.209 119.800 -0.135 0.000 2.832 171 Q HA 0.708 5.048 4.340 -0.000 0.000 0.322 171 Q C -1.666 174.258 176.000 -0.128 0.000 0.842 171 Q CA -0.292 55.442 55.803 -0.115 0.000 0.780 171 Q CB 2.121 30.829 28.738 -0.051 0.000 1.411 171 Q HN 2.231 nan 8.270 nan 0.000 0.490 172 A N 0.887 123.652 122.820 -0.091 0.000 2.555 172 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 172 A C -2.652 174.912 177.584 -0.033 0.000 1.060 172 A CA -0.682 51.309 52.037 -0.076 0.000 0.710 172 A CB 1.481 20.417 19.000 -0.106 0.000 1.282 172 A HN 0.575 nan 8.150 nan 0.000 0.399 173 P HA 0.205 nan 4.420 nan 0.000 0.202 173 P C 0.031 177.347 177.300 0.026 0.000 1.044 173 P CA 0.436 63.542 63.100 0.010 0.000 1.005 173 P CB 0.095 31.808 31.700 0.022 0.000 0.799 174 Y N 0.935 121.220 120.300 -0.026 0.000 2.397 174 Y HA 0.337 4.887 4.550 -0.000 0.000 0.335 174 Y C 0.709 176.590 175.900 -0.030 0.000 1.213 174 Y CA 0.105 58.192 58.100 -0.021 0.000 1.391 174 Y CB 0.654 39.105 38.460 -0.015 0.000 1.293 174 Y HN -0.127 nan 8.280 nan 0.000 0.557 175 S N 3.071 118.980 115.700 0.349 0.000 2.505 175 S HA 0.420 4.890 4.470 -0.000 0.000 0.280 175 S C 0.054 174.753 174.600 0.166 0.000 1.197 175 S CA -0.614 57.690 58.200 0.174 0.000 1.138 175 S CB -0.335 62.918 63.200 0.088 0.000 1.010 175 S HN 0.949 nan 8.310 nan 0.000 0.480 176 G N 2.368 111.212 108.800 0.072 0.000 2.467 176 G HA2 0.397 4.357 3.960 -0.000 0.000 0.257 176 G HA3 0.397 4.357 3.960 -0.000 0.000 0.257 176 G C 0.943 175.835 174.900 -0.013 0.000 1.227 176 G CA -0.607 44.483 45.100 -0.016 0.000 0.835 176 G HN 0.616 nan 8.290 nan 0.000 0.556 177 I N 0.875 121.417 120.570 -0.047 0.000 2.145 177 I HA -0.174 3.996 4.170 -0.000 0.000 0.244 177 I C 1.347 177.387 176.117 -0.129 0.000 1.075 177 I CA 1.433 62.674 61.300 -0.097 0.000 1.332 177 I CB -0.433 37.532 38.000 -0.058 0.000 1.033 177 I HN 0.547 nan 8.210 nan 0.000 0.410 178 N N -0.629 118.061 118.700 -0.016 0.000 3.039 178 N HA 0.513 5.253 4.740 -0.000 0.000 0.257 178 N C -1.121 174.422 175.510 0.055 0.000 1.497 178 N CA -0.650 52.445 53.050 0.076 0.000 0.861 178 N CB 2.138 40.665 38.487 0.066 0.000 1.479 178 N HN -0.189 nan 8.380 nan 0.000 0.547 179 I N 0.985 121.599 120.570 0.073 0.000 2.502 179 I HA 0.201 4.371 4.170 -0.000 0.000 0.276 179 I C -0.228 175.929 176.117 0.066 0.000 1.057 179 I CA -0.269 61.032 61.300 0.002 0.000 1.163 179 I CB 1.128 39.107 38.000 -0.036 0.000 1.288 179 I HN 0.435 nan 8.210 nan 0.000 0.479 180 T N 0.884 115.440 114.554 0.005 0.000 2.925 180 T HA 0.430 4.780 4.350 -0.000 0.000 0.285 180 T C 1.183 175.947 174.700 0.107 0.000 1.021 180 T CA -0.996 61.117 62.100 0.022 0.000 1.042 180 T CB 2.260 71.017 68.868 -0.185 0.000 1.037 180 T HN 0.208 nan 8.240 nan 0.000 0.481 181 K N 1.603 122.128 120.400 0.210 0.000 2.034 181 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 181 K C 1.810 178.481 176.600 0.119 0.000 1.051 181 K CA 2.040 58.492 56.287 0.274 0.000 0.931 181 K CB -0.488 32.082 32.500 0.116 0.000 0.715 181 K HN 0.867 nan 8.250 nan 0.000 0.446 182 E N -0.414 119.784 120.200 -0.004 0.000 2.510 182 E HA 0.030 4.380 4.350 -0.000 0.000 0.202 182 E C 1.162 177.745 176.600 -0.027 0.000 1.072 182 E CA 0.581 56.965 56.400 -0.028 0.000 0.883 182 E CB -0.044 29.604 29.700 -0.087 0.000 0.818 182 E HN 0.433 nan 8.360 nan 0.000 0.548 183 G N 0.286 109.073 108.800 -0.022 0.000 2.134 183 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.225 183 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.225 183 G C -0.214 174.644 174.900 -0.069 0.000 1.944 183 G CA -0.263 44.836 45.100 -0.002 0.000 1.512 183 G HN 0.246 nan 8.290 nan 0.000 0.493 184 I N -0.565 119.954 120.570 -0.084 0.000 3.486 184 I HA 0.671 4.841 4.170 -0.000 0.000 0.316 184 I C -1.425 174.691 176.117 -0.001 0.000 1.230 184 I CA -0.770 60.489 61.300 -0.069 0.000 0.948 184 I CB 2.105 40.075 38.000 -0.049 0.000 1.340 184 I HN 0.561 nan 8.210 nan 0.000 0.474 185 Q N 1.776 121.660 119.800 0.139 0.000 2.456 185 Q HA 0.369 4.709 4.340 -0.000 0.000 0.252 185 Q C -0.131 175.965 176.000 0.160 0.000 1.042 185 Q CA -0.279 55.785 55.803 0.435 0.000 0.766 185 Q CB 0.902 29.831 28.738 0.318 0.000 1.196 185 Q HN 0.577 nan 8.270 nan 0.000 0.504 186 I N 0.705 121.355 120.570 0.134 0.000 2.193 186 I HA 0.383 4.553 4.170 -0.000 0.000 0.240 186 I C 0.980 177.081 176.117 -0.028 0.000 1.084 186 I CA 1.219 62.521 61.300 0.002 0.000 1.365 186 I CB -0.173 37.820 38.000 -0.012 0.000 1.064 186 I HN 0.500 nan 8.210 nan 0.000 0.410 187 G N -0.751 108.017 108.800 -0.053 0.000 3.008 187 G HA2 0.610 4.570 3.960 -0.000 0.000 0.148 187 G HA3 0.610 4.570 3.960 -0.000 0.000 0.148 187 G C -0.286 174.553 174.900 -0.101 0.000 1.184 187 G CA 0.263 45.327 45.100 -0.060 0.000 1.087 187 G HN 0.482 nan 8.290 nan 0.000 0.602 188 V N -3.492 116.370 119.914 -0.087 0.000 6.446 188 V HA 0.653 4.773 4.120 -0.000 0.000 0.077 188 V C 0.400 176.452 176.094 -0.070 0.000 0.921 188 V CA 0.857 63.097 62.300 -0.100 0.000 1.064 188 V CB 0.871 32.647 31.823 -0.079 0.000 2.061 188 V HN 1.101 nan 8.190 nan 0.000 0.511 189 E N -0.115 120.056 120.200 -0.050 0.000 2.198 189 E HA 0.118 4.468 4.350 -0.000 0.000 0.284 189 E C 1.333 177.917 176.600 -0.026 0.000 1.064 189 E CA 0.941 57.320 56.400 -0.034 0.000 2.132 189 E CB -0.304 29.374 29.700 -0.036 0.000 2.672 189 E HN 0.844 nan 8.360 nan 0.000 1.133 190 G N -0.300 108.484 108.800 -0.028 0.000 2.739 190 G HA2 0.195 4.155 3.960 -0.000 0.000 0.200 190 G HA3 0.195 4.155 3.960 -0.000 0.000 0.200 190 G C 1.087 175.973 174.900 -0.023 0.000 1.069 190 G CA 1.119 46.206 45.100 -0.021 0.000 0.768 190 G HN 0.222 nan 8.290 nan 0.000 0.565 191 Q N -0.986 118.795 119.800 -0.031 0.000 1.423 191 Q HA 0.038 4.378 4.340 -0.000 0.000 0.149 191 Q C -0.126 175.846 176.000 -0.048 0.000 0.622 191 Q CA 0.275 56.059 55.803 -0.032 0.000 0.651 191 Q CB 0.088 28.813 28.738 -0.022 0.000 1.132 191 Q HN 0.277 nan 8.270 nan 0.000 0.346 192 T N 2.659 117.183 114.554 -0.050 0.000 2.831 192 T HA 0.175 4.525 4.350 -0.000 0.000 0.291 192 T C -2.346 172.286 174.700 -0.113 0.000 0.981 192 T CA -0.663 61.398 62.100 -0.066 0.000 1.174 192 T CB 0.406 69.242 68.868 -0.052 0.000 0.929 192 T HN 0.029 nan 8.240 nan 0.000 0.532 193 P HA 0.323 nan 4.420 nan 0.000 0.279 193 P C -0.165 176.939 177.300 -0.328 0.000 1.278 193 P CA 0.239 63.146 63.100 -0.322 0.000 0.846 193 P CB 0.149 31.632 31.700 -0.362 0.000 1.218 194 K N -1.347 118.730 120.400 -0.539 0.000 2.361 194 K HA 0.272 4.592 4.320 -0.000 0.000 0.348 194 K C -1.817 174.551 176.600 -0.387 0.000 1.382 194 K CA -0.503 55.594 56.287 -0.317 0.000 1.184 194 K CB -0.886 31.504 32.500 -0.182 0.000 1.420 194 K HN 0.467 nan 8.250 nan 0.000 0.460 195 Y N 1.062 121.355 120.300 -0.012 0.000 2.393 195 Y HA 0.637 5.187 4.550 -0.000 0.000 0.341 195 Y C 1.027 176.911 175.900 -0.026 0.000 0.988 195 Y CA -0.683 57.406 58.100 -0.017 0.000 1.078 195 Y CB 2.414 40.871 38.460 -0.005 0.000 1.203 195 Y HN 1.376 nan 8.280 nan 0.000 0.453 196 A N 2.887 125.829 122.820 0.204 0.000 1.604 196 A HA -0.288 4.032 4.320 -0.000 0.000 0.338 196 A C -0.557 177.026 177.584 -0.002 0.000 1.035 196 A CA 1.065 53.131 52.037 0.048 0.000 1.551 196 A CB -0.667 18.345 19.000 0.019 0.000 0.650 196 A HN 0.864 nan 8.150 nan 0.000 0.177 197 D N 1.267 121.628 120.400 -0.065 0.000 2.795 197 D HA 0.250 4.890 4.640 -0.000 0.000 0.335 197 D C 0.543 176.746 176.300 -0.163 0.000 1.262 197 D CA -0.123 53.843 54.000 -0.058 0.000 0.885 197 D CB 0.326 41.119 40.800 -0.011 0.000 1.047 197 D HN 0.642 nan 8.370 nan 0.000 0.500 198 K N 0.484 120.776 120.400 -0.181 0.000 2.121 198 K HA 0.121 4.441 4.320 -0.000 0.000 0.235 198 K C 0.163 176.639 176.600 -0.206 0.000 1.200 198 K CA 0.040 56.147 56.287 -0.299 0.000 1.115 198 K CB 0.040 32.257 32.500 -0.472 0.000 1.474 198 K HN 0.131 nan 8.250 nan 0.000 0.295 199 T N -1.818 112.679 114.554 -0.094 0.000 3.010 199 T HA 0.073 4.423 4.350 -0.000 0.000 0.252 199 T C 0.969 175.769 174.700 0.167 0.000 0.963 199 T CA -0.208 61.932 62.100 0.067 0.000 0.952 199 T CB -0.309 68.679 68.868 0.200 0.000 1.182 199 T HN 0.492 nan 8.240 nan 0.000 0.495 200 F N 0.458 120.376 119.950 -0.054 0.000 2.834 200 F HA 0.613 5.140 4.527 -0.000 0.000 0.332 200 F C 0.148 175.944 175.800 -0.005 0.000 1.056 200 F CA -1.118 56.870 58.000 -0.022 0.000 1.178 200 F CB -0.061 38.938 39.000 -0.002 0.000 1.037 200 F HN -0.007 nan 8.300 nan 0.000 0.580 201 Q N 3.482 122.975 119.800 -0.512 0.000 2.245 201 Q HA 0.507 4.847 4.340 -0.000 0.000 0.256 201 Q C -2.647 173.259 176.000 -0.156 0.000 0.942 201 Q CA -2.061 53.537 55.803 -0.342 0.000 0.896 201 Q CB 1.913 30.347 28.738 -0.507 0.000 1.272 201 Q HN 0.007 nan 8.270 nan 0.000 0.442 202 P HA 0.270 nan 4.420 nan 0.000 0.301 202 P C -1.259 176.115 177.300 0.124 0.000 1.337 202 P CA -0.661 62.495 63.100 0.094 0.000 0.889 202 P CB 1.479 33.284 31.700 0.175 0.000 1.050 203 E N 3.529 123.806 120.200 0.128 0.000 2.266 203 E HA 0.201 4.551 4.350 -0.000 0.000 0.277 203 E C -1.316 175.346 176.600 0.103 0.000 1.018 203 E CA -1.773 54.696 56.400 0.116 0.000 0.840 203 E CB 0.879 30.652 29.700 0.121 0.000 1.082 203 E HN 0.371 nan 8.360 nan 0.000 0.395 204 P HA -0.233 nan 4.420 nan 0.000 0.220 204 P C 0.640 177.962 177.300 0.037 0.000 1.148 204 P CA 1.183 64.317 63.100 0.057 0.000 0.803 204 P CB 0.082 31.815 31.700 0.056 0.000 0.782 205 Q N 0.601 120.429 119.800 0.047 0.000 2.319 205 Q HA 0.149 4.489 4.340 -0.000 0.000 0.217 205 Q C 0.017 176.023 176.000 0.011 0.000 0.924 205 Q CA 0.190 56.011 55.803 0.030 0.000 0.964 205 Q CB -1.112 27.651 28.738 0.042 0.000 1.025 205 Q HN 0.278 nan 8.270 nan 0.000 0.465 206 I N -2.762 117.797 120.570 -0.018 0.000 2.842 206 I HA 0.805 4.975 4.170 -0.000 0.000 0.297 206 I C 0.015 175.979 176.117 -0.255 0.000 1.380 206 I CA -1.044 60.192 61.300 -0.106 0.000 1.018 206 I CB 2.098 40.073 38.000 -0.042 0.000 1.311 206 I HN 0.104 nan 8.210 nan 0.000 0.439 207 G N 3.171 111.711 108.800 -0.433 0.000 2.539 207 G HA2 0.319 4.279 3.960 -0.000 0.000 0.138 207 G HA3 0.319 4.279 3.960 -0.000 0.000 0.138 207 G C -1.813 172.836 174.900 -0.420 0.000 1.148 207 G CA -0.529 44.271 45.100 -0.501 0.000 1.057 207 G HN 0.840 nan 8.290 nan 0.000 0.511 208 E N -0.107 119.966 120.200 -0.211 0.000 2.081 208 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 208 E C -0.092 176.471 176.600 -0.062 0.000 0.986 208 E CA -0.209 56.114 56.400 -0.127 0.000 0.796 208 E CB 1.618 31.268 29.700 -0.082 0.000 1.085 208 E HN 0.474 nan 8.360 nan 0.000 0.398 209 S N 4.030 119.702 115.700 -0.047 0.000 4.069 209 S HA 0.037 4.507 4.470 -0.000 0.000 0.192 209 S C -0.349 174.266 174.600 0.024 0.000 1.441 209 S CA -0.344 57.871 58.200 0.026 0.000 0.994 209 S CB -0.269 62.947 63.200 0.026 0.000 1.456 209 S HN 0.582 nan 8.310 nan 0.000 0.458 210 Q N 1.779 121.579 119.800 -0.001 0.000 2.462 210 Q HA 0.582 4.922 4.340 -0.000 0.000 0.285 210 Q C -0.283 175.702 176.000 -0.025 0.000 1.035 210 Q CA -0.806 54.868 55.803 -0.214 0.000 0.799 210 Q CB 0.758 29.366 28.738 -0.217 0.000 1.452 210 Q HN 0.489 nan 8.270 nan 0.000 0.404 211 W N 0.790 122.174 121.300 0.141 0.000 3.705 211 W HA 0.189 4.849 4.660 -0.000 0.000 0.224 211 W C 1.050 177.673 176.519 0.174 0.000 0.882 211 W CA 0.462 57.884 57.345 0.127 0.000 2.321 211 W CB -1.178 28.342 29.460 0.101 0.000 1.107 211 W HN 0.797 nan 8.180 nan 0.000 0.692 212 Y N 3.050 123.409 120.300 0.098 0.000 3.069 212 Y HA 0.189 4.739 4.550 -0.000 0.000 0.513 212 Y C 0.127 175.997 175.900 -0.050 0.000 1.147 212 Y CA 0.854 58.979 58.100 0.042 0.000 2.158 212 Y CB -0.632 37.860 38.460 0.053 0.000 1.709 212 Y HN 0.067 nan 8.280 nan 0.000 0.677 213 E N 0.208 119.893 120.200 -0.859 0.000 2.428 213 E HA 0.404 4.754 4.350 -0.000 0.000 0.307 213 E C -1.863 174.284 176.600 -0.755 0.000 0.902 213 E CA -0.756 55.227 56.400 -0.696 0.000 0.799 213 E CB 1.478 31.015 29.700 -0.271 0.000 1.351 213 E HN 0.524 nan 8.360 nan 0.000 0.392 214 T N 3.609 117.761 114.554 -0.671 0.000 3.109 214 T HA 0.242 4.592 4.350 -0.000 0.000 0.311 214 T C -1.493 173.077 174.700 -0.217 0.000 1.011 214 T CA -0.232 61.641 62.100 -0.379 0.000 1.026 214 T CB 1.257 69.932 68.868 -0.321 0.000 1.047 214 T HN 0.782 nan 8.240 nan 0.000 0.448 215 E N 3.942 124.064 120.200 -0.130 0.000 5.940 215 E HA -0.211 4.139 4.350 -0.000 0.000 0.304 215 E C -1.197 175.368 176.600 -0.058 0.000 1.429 215 E CA 0.745 57.103 56.400 -0.070 0.000 1.225 215 E CB -1.412 28.261 29.700 -0.045 0.000 0.904 215 E HN 0.754 nan 8.360 nan 0.000 0.317 216 I N 1.006 121.558 120.570 -0.031 0.000 2.750 216 I HA 0.342 4.512 4.170 -0.000 0.000 0.283 216 I C -0.435 175.680 176.117 -0.003 0.000 1.464 216 I CA -0.986 60.312 61.300 -0.004 0.000 1.093 216 I CB 1.195 39.164 38.000 -0.052 0.000 1.417 216 I HN 0.335 nan 8.210 nan 0.000 0.424 217 N N 1.539 120.264 118.700 0.041 0.000 2.441 217 N HA 0.084 4.824 4.740 -0.000 0.000 0.257 217 N C -0.108 175.348 175.510 -0.090 0.000 1.058 217 N CA 0.138 53.133 53.050 -0.092 0.000 0.853 217 N CB 0.294 38.619 38.487 -0.270 0.000 1.694 217 N HN 0.666 nan 8.380 nan 0.000 0.542 218 H N 1.000 120.055 119.070 -0.025 0.000 2.878 218 H HA 0.674 5.230 4.556 -0.000 0.000 0.290 218 H C 0.073 175.379 175.328 -0.035 0.000 1.065 218 H CA -0.077 55.954 56.048 -0.027 0.000 1.477 218 H CB 1.239 30.990 29.762 -0.017 0.000 1.484 218 H HN 0.268 nan 8.280 nan 0.000 0.504 219 A N 2.486 125.333 122.820 0.044 0.000 3.136 219 A HA 0.909 5.229 4.320 -0.000 0.000 0.299 219 A C -1.373 176.163 177.584 -0.080 0.000 1.197 219 A CA -0.170 51.865 52.037 -0.004 0.000 0.640 219 A CB 1.321 20.318 19.000 -0.005 0.000 1.440 219 A HN 0.887 nan 8.150 nan 0.000 0.614 220 A N -2.342 120.425 122.820 -0.087 0.000 2.586 220 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 220 A C -0.204 177.309 177.584 -0.118 0.000 1.013 220 A CA 0.562 52.503 52.037 -0.160 0.000 0.707 220 A CB 0.200 19.120 19.000 -0.133 0.000 1.276 220 A HN 2.503 nan 8.150 nan 0.000 0.414 221 G N 0.058 108.714 108.800 -0.240 0.000 3.100 221 G HA2 0.813 4.773 3.960 -0.000 0.000 0.174 221 G HA3 0.813 4.773 3.960 -0.000 0.000 0.174 221 G C -0.651 174.164 174.900 -0.141 0.000 1.136 221 G CA -0.138 44.878 45.100 -0.140 0.000 0.881 221 G HN 0.957 nan 8.290 nan 0.000 0.616 222 R N -1.946 118.506 120.500 -0.080 0.000 2.739 222 R HA 0.571 4.911 4.340 -0.000 0.000 0.266 222 R C -1.920 174.388 176.300 0.014 0.000 1.044 222 R CA -0.397 55.718 56.100 0.025 0.000 0.885 222 R CB 2.045 32.434 30.300 0.149 0.000 1.260 222 R HN 0.662 nan 8.270 nan 0.000 0.477 223 V N 2.623 122.563 119.914 0.042 0.000 3.101 223 V HA 0.585 4.705 4.120 -0.000 0.000 0.311 223 V C -1.022 175.101 176.094 0.049 0.000 1.536 223 V CA -0.665 61.655 62.300 0.034 0.000 1.004 223 V CB 2.254 34.082 31.823 0.007 0.000 1.040 223 V HN 0.697 nan 8.190 nan 0.000 0.480 224 L N -0.032 121.216 121.223 0.040 0.000 2.755 224 L HA 0.810 5.150 4.340 -0.000 0.000 0.243 224 L C -0.398 176.494 176.870 0.037 0.000 1.579 224 L CA -0.594 54.269 54.840 0.038 0.000 1.669 224 L CB 0.729 42.808 42.059 0.032 0.000 2.294 224 L HN 0.593 nan 8.230 nan 0.000 0.588 225 K N -1.153 119.266 120.400 0.031 0.000 2.399 225 K HA 0.325 4.645 4.320 -0.000 0.000 0.260 225 K C -0.348 176.268 176.600 0.026 0.000 1.049 225 K CA -0.646 55.659 56.287 0.030 0.000 0.890 225 K CB 1.907 34.424 32.500 0.028 0.000 1.430 225 K HN 0.461 nan 8.250 nan 0.000 0.459 226 K N -0.668 119.747 120.400 0.025 0.000 2.404 226 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 226 K C 0.347 176.961 176.600 0.024 0.000 1.023 226 K CA 0.887 57.189 56.287 0.024 0.000 1.094 226 K CB 0.171 32.684 32.500 0.021 0.000 0.841 226 K HN 0.573 nan 8.250 nan 0.000 0.523 227 T N 0.344 114.912 114.554 0.023 0.000 3.035 227 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 227 T C 0.145 174.858 174.700 0.022 0.000 1.109 227 T CA 1.257 63.370 62.100 0.021 0.000 1.119 227 T CB -0.167 68.713 68.868 0.019 0.000 0.900 227 T HN 0.423 nan 8.240 nan 0.000 0.503 228 T N 1.193 115.761 114.554 0.023 0.000 2.743 228 T HA 0.359 4.709 4.350 -0.000 0.000 0.292 228 T C -2.007 172.709 174.700 0.028 0.000 0.972 228 T CA -1.884 60.230 62.100 0.025 0.000 0.967 228 T CB 1.958 70.840 68.868 0.023 0.000 0.926 228 T HN -0.063 nan 8.240 nan 0.000 0.459 229 P HA 0.029 nan 4.420 nan 0.000 0.198 229 P C -0.013 177.305 177.300 0.030 0.000 1.043 229 P CA 0.780 63.899 63.100 0.032 0.000 0.892 229 P CB 0.220 31.939 31.700 0.032 0.000 0.701 230 M N -3.294 116.324 119.600 0.030 0.000 2.694 230 M HA 0.442 4.922 4.480 -0.000 0.000 0.276 230 M C -1.435 174.886 176.300 0.034 0.000 1.167 230 M CA -0.417 54.900 55.300 0.028 0.000 0.849 230 M CB 3.046 35.659 32.600 0.021 0.000 1.705 230 M HN -0.085 nan 8.290 nan 0.000 0.504 231 K N 1.914 122.336 120.400 0.038 0.000 2.581 231 K HA 0.250 4.570 4.320 -0.000 0.000 0.298 231 K C -2.941 173.691 176.600 0.053 0.000 1.171 231 K CA -0.819 55.496 56.287 0.046 0.000 1.106 231 K CB 0.915 33.444 32.500 0.048 0.000 1.413 231 K HN 0.307 nan 8.250 nan 0.000 0.436 232 P HA -0.135 nan 4.420 nan 0.000 0.275 232 P C -0.339 177.012 177.300 0.085 0.000 1.255 232 P CA -0.433 62.707 63.100 0.066 0.000 0.843 232 P CB 0.404 32.140 31.700 0.060 0.000 0.948 233 C N -0.703 118.660 119.300 0.106 0.000 2.779 233 C HA 0.692 5.152 4.460 -0.000 0.000 0.314 233 C C 0.248 175.379 174.990 0.234 0.000 1.231 233 C CA 0.069 59.169 59.018 0.137 0.000 1.652 233 C CB 0.223 28.027 27.740 0.107 0.000 2.198 233 C HN 0.787 nan 8.230 nan 0.000 0.483 234 Y N 1.230 121.563 120.300 0.056 0.000 2.907 234 Y HA 0.271 4.821 4.550 -0.000 0.000 0.343 234 Y C 0.193 176.145 175.900 0.087 0.000 0.889 234 Y CA 0.852 58.985 58.100 0.054 0.000 0.869 234 Y CB -0.659 37.820 38.460 0.031 0.000 1.354 234 Y HN 0.995 nan 8.280 nan 0.000 0.522 235 G N 1.646 110.576 108.800 0.217 0.000 2.029 235 G HA2 0.526 4.486 3.960 -0.000 0.000 0.293 235 G HA3 0.526 4.486 3.960 -0.000 0.000 0.293 235 G C -1.230 173.750 174.900 0.134 0.000 1.362 235 G CA 0.269 45.483 45.100 0.191 0.000 1.226 235 G HN 0.229 nan 8.290 nan 0.000 0.599 236 S N 0.479 116.194 115.700 0.025 0.000 2.921 236 S HA 0.920 5.390 4.470 -0.000 0.000 0.315 236 S C -1.472 172.766 174.600 -0.604 0.000 1.087 236 S CA -0.951 57.160 58.200 -0.148 0.000 0.877 236 S CB 1.962 65.123 63.200 -0.065 0.000 1.340 236 S HN 1.146 nan 8.310 nan 0.000 0.622 237 Y N -0.239 119.728 120.300 -0.554 0.000 2.527 237 Y HA 0.515 5.065 4.550 -0.000 0.000 0.328 237 Y C -1.809 173.957 175.900 -0.223 0.000 1.216 237 Y CA -0.873 56.867 58.100 -0.600 0.000 1.152 237 Y CB 0.449 38.589 38.460 -0.534 0.000 1.342 237 Y HN 0.991 nan 8.280 nan 0.000 0.465 238 A N 5.361 127.441 122.820 -1.234 0.000 2.401 238 A HA 0.733 5.053 4.320 -0.000 0.000 0.310 238 A C -1.397 175.628 177.584 -0.933 0.000 1.075 238 A CA -1.124 50.436 52.037 -0.796 0.000 0.746 238 A CB 1.278 20.049 19.000 -0.382 0.000 1.277 238 A HN 0.464 nan 8.150 nan 0.000 0.425 239 K N 3.094 123.248 120.400 -0.411 0.000 2.292 239 K HA 0.288 4.608 4.320 -0.000 0.000 0.290 239 K C -2.670 173.866 176.600 -0.106 0.000 1.083 239 K CA -1.346 54.835 56.287 -0.175 0.000 0.918 239 K CB 0.497 32.967 32.500 -0.050 0.000 1.089 239 K HN 0.410 nan 8.250 nan 0.000 0.473 240 P HA 0.067 nan 4.420 nan 0.000 0.279 240 P C 0.312 177.615 177.300 0.004 0.000 1.318 240 P CA -0.205 62.887 63.100 -0.014 0.000 0.819 240 P CB 0.865 32.579 31.700 0.024 0.000 0.927 241 T N 2.490 117.042 114.554 -0.002 0.000 2.502 241 T HA -0.167 4.183 4.350 -0.000 0.000 0.258 241 T C 0.861 175.558 174.700 -0.006 0.000 1.146 241 T CA 1.144 63.244 62.100 0.000 0.000 1.208 241 T CB -1.202 67.666 68.868 0.000 0.000 0.864 241 T HN 0.536 nan 8.240 nan 0.000 0.402 242 N N 3.214 121.904 118.700 -0.016 0.000 2.416 242 N HA 0.083 4.823 4.740 -0.000 0.000 0.271 242 N C 0.699 176.175 175.510 -0.057 0.000 1.245 242 N CA -0.041 52.980 53.050 -0.048 0.000 0.940 242 N CB 0.768 39.212 38.487 -0.070 0.000 1.175 242 N HN 0.537 nan 8.380 nan 0.000 0.483 243 E N 2.013 122.185 120.200 -0.046 0.000 2.332 243 E HA -0.350 4.000 4.350 -0.000 0.000 0.223 243 E C -0.082 176.492 176.600 -0.043 0.000 1.095 243 E CA 1.338 57.719 56.400 -0.032 0.000 0.897 243 E CB -0.324 29.355 29.700 -0.036 0.000 0.763 243 E HN 0.632 nan 8.360 nan 0.000 0.464 244 N N 1.228 119.857 118.700 -0.118 0.000 2.549 244 N HA 0.088 4.828 4.740 -0.000 0.000 0.267 244 N C 0.452 175.937 175.510 -0.042 0.000 1.182 244 N CA 0.387 53.347 53.050 -0.151 0.000 1.019 244 N CB 0.376 38.604 38.487 -0.431 0.000 1.380 244 N HN 0.425 nan 8.380 nan 0.000 0.505 245 G N 2.528 111.352 108.800 0.040 0.000 2.362 245 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.308 245 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.308 245 G C 0.628 175.589 174.900 0.102 0.000 0.986 245 G CA 0.608 45.765 45.100 0.095 0.000 0.739 245 G HN 0.611 nan 8.290 nan 0.000 0.517 246 G N -0.346 108.497 108.800 0.072 0.000 2.358 246 G HA2 0.518 4.478 3.960 -0.000 0.000 0.273 246 G HA3 0.518 4.478 3.960 -0.000 0.000 0.273 246 G C 0.029 174.950 174.900 0.035 0.000 1.215 246 G CA -0.241 44.909 45.100 0.083 0.000 0.910 246 G HN 0.651 nan 8.290 nan 0.000 0.467 247 Q N 2.319 122.137 119.800 0.030 0.000 2.414 247 Q HA 0.599 4.939 4.340 -0.000 0.000 0.256 247 Q C -0.057 175.942 176.000 -0.001 0.000 0.974 247 Q CA -0.862 54.935 55.803 -0.010 0.000 0.723 247 Q CB 2.035 30.748 28.738 -0.042 0.000 1.281 247 Q HN 0.635 nan 8.270 nan 0.000 0.470 248 G N 0.767 109.565 108.800 -0.003 0.000 2.870 248 G HA2 0.577 4.537 3.960 -0.000 0.000 0.299 248 G HA3 0.577 4.537 3.960 -0.000 0.000 0.299 248 G C -0.094 174.806 174.900 -0.001 0.000 1.324 248 G CA -0.722 44.378 45.100 0.001 0.000 0.808 248 G HN 0.388 nan 8.290 nan 0.000 0.535 249 I N -0.682 119.890 120.570 0.004 0.000 3.284 249 I HA 0.451 4.621 4.170 -0.000 0.000 0.231 249 I C 1.649 177.769 176.117 0.005 0.000 1.041 249 I CA 0.536 61.839 61.300 0.005 0.000 1.478 249 I CB -1.260 36.746 38.000 0.010 0.000 1.340 249 I HN 0.591 nan 8.210 nan 0.000 0.449 250 L N -1.764 119.462 121.223 0.006 0.000 5.850 250 L HA -0.245 4.095 4.340 -0.000 0.000 0.053 250 L C 0.644 177.519 176.870 0.008 0.000 2.960 250 L CA 1.085 55.929 54.840 0.007 0.000 1.381 250 L CB -2.187 39.876 42.059 0.006 0.000 3.034 250 L HN 0.229 nan 8.230 nan 0.000 1.055 251 V N 0.075 119.994 119.914 0.008 0.000 3.549 251 V HA 0.130 4.250 4.120 -0.000 0.000 0.300 251 V C 1.167 177.266 176.094 0.008 0.000 1.154 251 V CA 1.087 63.392 62.300 0.008 0.000 1.268 251 V CB 0.447 32.274 31.823 0.008 0.000 1.054 251 V HN 0.815 nan 8.190 nan 0.000 0.501 252 K N -1.261 119.144 120.400 0.009 0.000 1.461 252 K HA 0.037 4.357 4.320 -0.000 0.000 0.100 252 K C 0.135 176.741 176.600 0.009 0.000 2.240 252 K CA -0.203 56.089 56.287 0.009 0.000 0.985 252 K CB 0.199 32.704 32.500 0.009 0.000 2.432 252 K HN 0.795 nan 8.250 nan 0.000 0.342 253 Q N 1.038 120.843 119.800 0.008 0.000 2.297 253 Q HA 0.211 4.551 4.340 -0.000 0.000 0.268 253 Q C -1.176 174.829 176.000 0.008 0.000 1.045 253 Q CA -0.478 55.330 55.803 0.008 0.000 0.861 253 Q CB 2.099 30.842 28.738 0.008 0.000 1.344 253 Q HN 0.142 nan 8.270 nan 0.000 0.452 254 Q N 2.077 121.882 119.800 0.007 0.000 2.441 254 Q HA 0.149 4.489 4.340 -0.000 0.000 0.234 254 Q C -0.858 175.146 176.000 0.007 0.000 1.078 254 Q CA 0.511 56.318 55.803 0.007 0.000 0.907 254 Q CB 0.224 28.966 28.738 0.007 0.000 1.269 254 Q HN 0.713 nan 8.270 nan 0.000 0.502 255 N N 1.286 119.990 118.700 0.007 0.000 2.516 255 N HA -0.085 4.655 4.740 -0.000 0.000 0.307 255 N C 0.687 176.201 175.510 0.006 0.000 1.254 255 N CA 0.776 53.829 53.050 0.006 0.000 2.495 255 N CB -0.961 37.529 38.487 0.006 0.000 1.689 255 N HN 0.419 nan 8.380 nan 0.000 1.399 256 G N 1.737 110.541 108.800 0.007 0.000 2.920 256 G HA2 0.103 4.063 3.960 -0.000 0.000 0.208 256 G HA3 0.103 4.063 3.960 -0.000 0.000 0.208 256 G C 0.128 175.032 174.900 0.007 0.000 1.159 256 G CA 1.146 46.250 45.100 0.007 0.000 0.784 256 G HN 0.770 nan 8.290 nan 0.000 0.535 257 K N -0.983 119.421 120.400 0.007 0.000 2.238 257 K HA -0.340 3.980 4.320 -0.000 0.000 0.375 257 K C 0.662 177.266 176.600 0.008 0.000 1.602 257 K CA 0.923 57.214 56.287 0.007 0.000 0.888 257 K CB -1.468 31.036 32.500 0.007 0.000 1.136 257 K HN 0.483 nan 8.250 nan 0.000 0.859 258 L N -1.393 119.835 121.223 0.007 0.000 6.281 258 L HA -0.342 3.998 4.340 -0.000 0.000 0.054 258 L C 0.031 176.906 176.870 0.008 0.000 1.615 258 L CA 1.818 56.663 54.840 0.008 0.000 1.845 258 L CB -1.414 40.650 42.059 0.007 0.000 2.530 258 L HN 0.996 nan 8.230 nan 0.000 0.970 259 E N -1.419 118.786 120.200 0.008 0.000 7.524 259 E HA -0.135 4.215 4.350 -0.000 0.000 0.404 259 E C -0.795 175.809 176.600 0.007 0.000 0.526 259 E CA 0.830 57.235 56.400 0.008 0.000 0.977 259 E CB -0.724 28.981 29.700 0.009 0.000 0.947 259 E HN 0.524 nan 8.360 nan 0.000 0.263 260 S N 2.725 118.428 115.700 0.005 0.000 2.455 260 S HA 0.085 4.555 4.470 -0.000 0.000 0.278 260 S C 0.642 175.243 174.600 0.002 0.000 1.216 260 S CA -0.276 57.925 58.200 0.000 0.000 1.055 260 S CB 0.409 63.603 63.200 -0.010 0.000 0.939 260 S HN 0.225 nan 8.310 nan 0.000 0.494 261 Q N 3.161 122.965 119.800 0.007 0.000 3.041 261 Q HA 0.207 4.547 4.340 -0.000 0.000 0.372 261 Q C -0.852 175.160 176.000 0.020 0.000 1.241 261 Q CA -0.088 55.724 55.803 0.014 0.000 1.010 261 Q CB 0.468 29.215 28.738 0.016 0.000 1.467 261 Q HN 0.329 nan 8.270 nan 0.000 0.462 262 V N 3.021 122.943 119.914 0.013 0.000 2.311 262 V HA 0.109 4.229 4.120 -0.000 0.000 0.275 262 V C 0.439 176.563 176.094 0.051 0.000 1.022 262 V CA -0.414 61.902 62.300 0.027 0.000 0.830 262 V CB 1.286 33.098 31.823 -0.019 0.000 1.012 262 V HN 0.414 nan 8.190 nan 0.000 0.452 263 E N 7.483 127.733 120.200 0.084 0.000 2.254 263 E HA 0.533 4.883 4.350 -0.000 0.000 0.261 263 E C -0.930 175.764 176.600 0.157 0.000 1.051 263 E CA -0.752 55.709 56.400 0.101 0.000 0.902 263 E CB 2.034 31.780 29.700 0.077 0.000 1.168 263 E HN 0.525 nan 8.360 nan 0.000 0.423 264 M N 0.528 120.222 119.600 0.157 0.000 2.456 264 M HA 0.457 4.937 4.480 -0.000 0.000 0.324 264 M C -0.614 175.805 176.300 0.200 0.000 1.124 264 M CA -0.870 54.532 55.300 0.170 0.000 0.959 264 M CB 1.521 34.235 32.600 0.189 0.000 1.692 264 M HN 0.648 nan 8.290 nan 0.000 0.444 265 Q N 2.283 122.187 119.800 0.174 0.000 2.345 265 Q HA 0.610 4.950 4.340 -0.000 0.000 0.275 265 Q C -2.193 174.000 176.000 0.320 0.000 1.063 265 Q CA -0.485 55.497 55.803 0.299 0.000 0.819 265 Q CB 2.574 31.436 28.738 0.207 0.000 1.356 265 Q HN 0.676 nan 8.270 nan 0.000 0.418 266 F N 1.304 121.307 119.950 0.090 0.000 2.452 266 F HA 0.706 5.233 4.527 -0.000 0.000 0.353 266 F C -0.409 175.553 175.800 0.270 0.000 1.089 266 F CA -0.913 57.161 58.000 0.125 0.000 1.080 266 F CB 0.889 39.909 39.000 0.034 0.000 1.399 266 F HN 0.500 nan 8.300 nan 0.000 0.492 267 F N -0.548 119.479 119.950 0.129 0.000 2.623 267 F HA 0.400 4.927 4.527 -0.000 0.000 0.323 267 F C 0.104 175.922 175.800 0.029 0.000 1.158 267 F CA -0.509 57.513 58.000 0.037 0.000 1.030 267 F CB 1.817 40.805 39.000 -0.021 0.000 1.280 267 F HN 0.426 nan 8.300 nan 0.000 0.474 268 S N 0.720 116.462 115.700 0.069 0.000 4.848 268 S HA 0.654 5.124 4.470 -0.000 0.000 0.151 268 S C 0.057 174.656 174.600 -0.001 0.000 1.055 268 S CA 0.614 58.839 58.200 0.042 0.000 1.208 268 S CB 2.030 65.247 63.200 0.028 0.000 2.035 268 S HN 0.498 nan 8.310 nan 0.000 0.792 269 T N -0.278 114.256 114.554 -0.034 0.000 3.475 269 T HA 0.387 4.737 4.350 -0.000 0.000 0.083 269 T C -0.821 173.849 174.700 -0.049 0.000 0.422 269 T CA 0.648 62.725 62.100 -0.039 0.000 0.579 269 T CB -0.030 68.825 68.868 -0.022 0.000 0.587 269 T HN 0.802 nan 8.240 nan 0.000 0.183 280 L N -0.407 120.799 121.223 -0.028 0.000 2.726 280 L HA 0.538 4.878 4.340 -0.000 0.000 0.287 280 L C -1.486 175.365 176.870 -0.032 0.000 1.047 280 L CA 1.001 55.824 54.840 -0.030 0.000 1.304 280 L CB 1.094 43.139 42.059 -0.024 0.000 2.440 280 L HN 0.196 nan 8.230 nan 0.000 0.569 281 T N 0.435 114.974 114.554 -0.025 0.000 2.982 281 T HA 0.702 5.052 4.350 -0.000 0.000 0.321 281 T C -3.014 171.692 174.700 0.011 0.000 1.229 281 T CA -0.956 61.133 62.100 -0.017 0.000 1.044 281 T CB 1.926 70.786 68.868 -0.012 0.000 1.184 281 T HN 0.049 nan 8.240 nan 0.000 0.477 282 P HA 0.543 nan 4.420 nan 0.000 0.295 282 P C -0.864 176.596 177.300 0.267 0.000 1.397 282 P CA -0.868 62.332 63.100 0.167 0.000 0.903 282 P CB 0.808 32.627 31.700 0.199 0.000 1.028 283 K N 1.652 122.124 120.400 0.119 0.000 2.811 283 K HA 0.340 4.660 4.320 -0.000 0.000 0.217 283 K C 0.189 176.771 176.600 -0.030 0.000 1.115 283 K CA -0.190 56.123 56.287 0.043 0.000 1.179 283 K CB 0.311 32.764 32.500 -0.078 0.000 0.994 283 K HN 0.166 nan 8.250 nan 0.000 0.464 284 V N -1.083 118.792 119.914 -0.065 0.000 3.119 284 V HA 0.615 4.735 4.120 -0.000 0.000 0.311 284 V C -0.876 174.882 176.094 -0.560 0.000 1.259 284 V CA -1.166 61.010 62.300 -0.208 0.000 1.067 284 V CB 2.214 33.989 31.823 -0.081 0.000 1.123 284 V HN -0.109 nan 8.190 nan 0.000 0.463 285 V N 1.049 120.670 119.914 -0.487 0.000 2.848 285 V HA 0.531 4.651 4.120 -0.000 0.000 0.252 285 V C -2.382 173.394 176.094 -0.530 0.000 1.760 285 V CA -0.153 61.781 62.300 -0.612 0.000 0.901 285 V CB 1.655 33.014 31.823 -0.774 0.000 1.324 285 V HN 0.875 nan 8.190 nan 0.000 0.464 286 L N 6.135 127.062 121.223 -0.494 0.000 2.465 286 L HA 0.770 5.110 4.340 -0.000 0.000 0.257 286 L C -1.653 174.950 176.870 -0.446 0.000 0.988 286 L CA -0.542 53.942 54.840 -0.593 0.000 0.827 286 L CB 2.581 44.427 42.059 -0.355 0.000 1.397 286 L HN 0.798 nan 8.230 nan 0.000 0.410 287 Y N 0.665 120.939 120.300 -0.045 0.000 2.487 287 Y HA 0.713 5.263 4.550 -0.000 0.000 0.337 287 Y C 0.346 176.241 175.900 -0.009 0.000 1.076 287 Y CA -0.817 57.270 58.100 -0.021 0.000 1.115 287 Y CB 1.888 40.334 38.460 -0.023 0.000 1.235 287 Y HN 0.522 nan 8.280 nan 0.000 0.468 288 S N 0.289 116.087 115.700 0.164 0.000 2.677 288 S HA 0.936 5.406 4.470 -0.000 0.000 0.304 288 S C -1.199 173.448 174.600 0.077 0.000 1.108 288 S CA -0.897 57.359 58.200 0.094 0.000 0.944 288 S CB 2.595 65.835 63.200 0.067 0.000 1.127 288 S HN 0.749 nan 8.310 nan 0.000 0.511 289 E N -0.362 119.870 120.200 0.053 0.000 2.417 289 E HA 0.516 4.866 4.350 -0.000 0.000 0.280 289 E C -2.482 174.133 176.600 0.025 0.000 1.112 289 E CA -0.948 55.474 56.400 0.036 0.000 0.863 289 E CB 1.103 30.822 29.700 0.032 0.000 1.346 289 E HN 0.724 nan 8.360 nan 0.000 0.443 290 D N 0.264 120.674 120.400 0.016 0.000 2.266 290 D HA 0.273 4.913 4.640 -0.000 0.000 0.218 290 D C -0.294 176.008 176.300 0.003 0.000 1.311 290 D CA -0.419 53.587 54.000 0.010 0.000 0.918 290 D CB 0.221 41.031 40.800 0.016 0.000 1.530 290 D HN 0.372 nan 8.370 nan 0.000 0.514 291 V N -0.559 119.351 119.914 -0.007 0.000 5.433 291 V HA 0.506 4.626 4.120 -0.000 0.000 0.113 291 V C -0.505 175.579 176.094 -0.017 0.000 0.910 291 V CA 0.019 62.312 62.300 -0.011 0.000 1.337 291 V CB 0.349 32.162 31.823 -0.017 0.000 2.216 291 V HN 0.338 nan 8.190 nan 0.000 0.473 292 D N 1.011 121.390 120.400 -0.036 0.000 2.404 292 D HA 0.607 5.247 4.640 -0.000 0.000 0.267 292 D C -1.242 175.016 176.300 -0.071 0.000 1.194 292 D CA 0.220 54.197 54.000 -0.037 0.000 0.910 292 D CB 1.656 42.441 40.800 -0.025 0.000 1.090 292 D HN 0.289 nan 8.370 nan 0.000 0.511 293 I N 2.296 122.832 120.570 -0.057 0.000 2.545 293 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 293 I C -0.148 175.954 176.117 -0.024 0.000 1.040 293 I CA -0.595 60.660 61.300 -0.076 0.000 1.068 293 I CB 2.339 40.289 38.000 -0.084 0.000 1.251 293 I HN 0.189 nan 8.210 nan 0.000 0.424 294 E N 3.656 123.851 120.200 -0.009 0.000 2.450 294 E HA 0.441 4.791 4.350 -0.000 0.000 0.272 294 E C -0.749 175.870 176.600 0.033 0.000 0.967 294 E CA -0.623 55.790 56.400 0.022 0.000 0.818 294 E CB 2.241 31.965 29.700 0.039 0.000 1.401 294 E HN 0.454 nan 8.360 nan 0.000 0.450 295 T N -2.406 112.184 114.554 0.061 0.000 3.732 295 T HA 0.352 4.702 4.350 -0.000 0.000 0.234 295 T C -2.578 172.191 174.700 0.116 0.000 1.146 295 T CA -1.278 60.877 62.100 0.092 0.000 1.454 295 T CB 0.260 69.195 68.868 0.111 0.000 0.910 295 T HN 0.127 nan 8.240 nan 0.000 0.640 296 P HA 0.291 nan 4.420 nan 0.000 0.235 296 P C -0.136 177.244 177.300 0.133 0.000 1.725 296 P CA 0.155 63.316 63.100 0.102 0.000 0.894 296 P CB -0.576 31.162 31.700 0.062 0.000 1.704 297 D N -2.770 117.736 120.400 0.176 0.000 2.672 297 D HA 0.109 4.749 4.640 -0.000 0.000 0.287 297 D C -0.554 175.888 176.300 0.237 0.000 1.559 297 D CA -0.363 53.769 54.000 0.219 0.000 0.796 297 D CB 0.045 40.988 40.800 0.237 0.000 1.181 297 D HN -0.021 nan 8.370 nan 0.000 0.458 298 T N -2.487 112.202 114.554 0.225 0.000 2.942 298 T HA 0.282 4.632 4.350 -0.000 0.000 0.340 298 T C -1.030 173.770 174.700 0.167 0.000 1.857 298 T CA -1.121 61.052 62.100 0.123 0.000 1.044 298 T CB 1.109 70.039 68.868 0.104 0.000 1.817 298 T HN 0.344 nan 8.240 nan 0.000 0.518 299 H N 0.013 119.090 119.070 0.012 0.000 4.010 299 H HA 0.741 5.297 4.556 -0.000 0.000 0.378 299 H C 0.056 175.386 175.328 0.004 0.000 1.639 299 H CA -1.065 54.992 56.048 0.016 0.000 1.137 299 H CB 0.031 29.802 29.762 0.016 0.000 1.373 299 H HN 0.650 nan 8.280 nan 0.000 0.737 300 I N -0.193 120.503 120.570 0.209 0.000 3.233 300 I HA 0.116 4.286 4.170 -0.000 0.000 0.231 300 I C 1.290 177.451 176.117 0.073 0.000 1.255 300 I CA 0.842 62.210 61.300 0.112 0.000 0.809 300 I CB 0.550 38.613 38.000 0.105 0.000 1.688 300 I HN 0.756 nan 8.210 nan 0.000 0.910 301 S N -1.057 114.686 115.700 0.071 0.000 6.541 301 S HA -0.001 4.469 4.470 -0.000 0.000 0.087 301 S C -0.413 174.210 174.600 0.039 0.000 1.262 301 S CA -0.407 57.821 58.200 0.047 0.000 1.323 301 S CB -0.475 62.755 63.200 0.050 0.000 1.739 301 S HN 0.565 nan 8.310 nan 0.000 0.531 302 Y N 2.914 123.229 120.300 0.026 0.000 2.836 302 Y HA 0.594 5.144 4.550 -0.000 0.000 0.359 302 Y C -0.163 175.751 175.900 0.023 0.000 1.060 302 Y CA -0.649 57.468 58.100 0.028 0.000 1.161 302 Y CB 1.018 39.495 38.460 0.027 0.000 1.225 302 Y HN 0.306 nan 8.280 nan 0.000 0.621 303 M N 4.289 123.991 119.600 0.169 0.000 2.063 303 M HA 0.239 4.719 4.480 -0.000 0.000 0.348 303 M C -1.815 174.554 176.300 0.114 0.000 1.180 303 M CA -1.843 53.531 55.300 0.124 0.000 1.059 303 M CB 1.269 33.914 32.600 0.074 0.000 1.544 303 M HN 0.367 nan 8.290 nan 0.000 0.447 304 P HA -0.090 nan 4.420 nan 0.000 0.202 304 P C -0.012 177.318 177.300 0.051 0.000 1.149 304 P CA 1.444 64.593 63.100 0.081 0.000 0.931 304 P CB -0.014 31.715 31.700 0.049 0.000 0.762 305 T N -2.321 112.254 114.554 0.035 0.000 2.940 305 T HA 0.399 4.749 4.350 -0.000 0.000 0.288 305 T C 1.138 175.853 174.700 0.024 0.000 1.033 305 T CA -0.820 61.295 62.100 0.025 0.000 1.033 305 T CB 1.357 70.235 68.868 0.015 0.000 1.079 305 T HN 0.104 nan 8.240 nan 0.000 0.496 306 I N -0.289 120.293 120.570 0.020 0.000 2.439 306 I HA 0.024 4.194 4.170 -0.000 0.000 0.251 306 I C 0.896 177.024 176.117 0.019 0.000 1.139 306 I CA 0.527 61.839 61.300 0.019 0.000 1.438 306 I CB -0.226 37.784 38.000 0.016 0.000 1.085 306 I HN 0.693 nan 8.210 nan 0.000 0.427 307 K N 2.414 122.825 120.400 0.018 0.000 2.440 307 K HA -0.046 4.274 4.320 -0.000 0.000 0.270 307 K C -0.325 176.287 176.600 0.021 0.000 0.980 307 K CA 0.142 56.440 56.287 0.018 0.000 0.953 307 K CB 0.149 32.658 32.500 0.016 0.000 0.925 307 K HN 0.257 nan 8.250 nan 0.000 0.497 308 E N 0.592 120.805 120.200 0.021 0.000 2.223 308 E HA 0.452 4.802 4.350 -0.000 0.000 0.282 308 E C -0.174 176.442 176.600 0.026 0.000 1.046 308 E CA 0.562 56.976 56.400 0.023 0.000 0.857 308 E CB 0.623 30.336 29.700 0.022 0.000 1.055 308 E HN 0.793 nan 8.360 nan 0.000 0.409 309 G N 3.233 112.050 108.800 0.028 0.000 2.369 309 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.295 309 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.295 309 G C -1.628 173.293 174.900 0.035 0.000 1.298 309 G CA -1.021 44.098 45.100 0.032 0.000 0.940 309 G HN 0.584 nan 8.290 nan 0.000 0.536 310 N N -0.286 118.440 118.700 0.044 0.000 2.424 310 N HA 0.717 5.457 4.740 -0.000 0.000 0.271 310 N C 0.304 175.853 175.510 0.065 0.000 0.985 310 N CA 0.110 53.189 53.050 0.050 0.000 0.921 310 N CB 2.117 40.637 38.487 0.054 0.000 1.149 310 N HN 0.689 nan 8.380 nan 0.000 0.492 311 S N 1.954 117.680 115.700 0.043 0.000 4.225 311 S HA 0.496 4.966 4.470 -0.000 0.000 0.215 311 S C 0.604 175.208 174.600 0.007 0.000 1.051 311 S CA -0.806 57.408 58.200 0.023 0.000 1.729 311 S CB 0.492 63.681 63.200 -0.018 0.000 0.892 311 S HN 0.749 nan 8.310 nan 0.000 0.720 312 R N 0.047 120.504 120.500 -0.071 0.000 2.539 312 R HA 0.459 4.799 4.340 -0.000 0.000 0.342 312 R C 1.106 177.351 176.300 -0.092 0.000 0.941 312 R CA -0.154 55.884 56.100 -0.103 0.000 1.146 312 R CB -0.028 30.124 30.300 -0.247 0.000 1.541 312 R HN 0.450 nan 8.270 nan 0.000 0.525 313 E N 1.642 121.799 120.200 -0.072 0.000 2.140 313 E HA 0.088 4.438 4.350 -0.000 0.000 0.191 313 E C 0.304 176.886 176.600 -0.031 0.000 0.973 313 E CA 0.412 56.778 56.400 -0.056 0.000 0.829 313 E CB 0.258 29.932 29.700 -0.043 0.000 0.781 313 E HN 0.286 nan 8.360 nan 0.000 0.466 314 L N 0.813 122.028 121.223 -0.014 0.000 2.650 314 L HA 0.203 4.543 4.340 -0.000 0.000 0.239 314 L C 0.894 177.766 176.870 0.003 0.000 1.412 314 L CA 0.293 55.137 54.840 0.007 0.000 1.219 314 L CB -0.226 41.844 42.059 0.017 0.000 1.534 314 L HN 0.013 nan 8.230 nan 0.000 0.430 315 M N 0.612 120.208 119.600 -0.007 0.000 2.540 315 M HA 0.337 4.817 4.480 -0.000 0.000 0.404 315 M C 0.442 176.746 176.300 0.006 0.000 1.133 315 M CA -0.021 55.277 55.300 -0.003 0.000 0.900 315 M CB 1.548 34.135 32.600 -0.021 0.000 1.540 315 M HN 0.459 nan 8.290 nan 0.000 0.539 316 G N 2.192 110.992 108.800 -0.001 0.000 3.919 316 G HA2 0.286 4.246 3.960 -0.000 0.000 0.284 316 G HA3 0.286 4.246 3.960 -0.000 0.000 0.284 316 G C -1.146 173.748 174.900 -0.011 0.000 2.841 316 G CA -0.402 44.696 45.100 -0.003 0.000 0.605 316 G HN 0.284 nan 8.290 nan 0.000 0.337 317 Q N 0.551 120.368 119.800 0.028 0.000 2.413 317 Q HA 0.548 4.888 4.340 -0.000 0.000 0.276 317 Q C -1.011 175.026 176.000 0.062 0.000 1.099 317 Q CA -1.036 54.807 55.803 0.067 0.000 0.814 317 Q CB 2.044 30.849 28.738 0.112 0.000 1.379 317 Q HN 0.238 nan 8.270 nan 0.000 0.436 318 Q N 0.862 120.711 119.800 0.082 0.000 2.373 318 Q HA 0.242 4.582 4.340 -0.000 0.000 0.255 318 Q C -0.665 175.315 176.000 -0.033 0.000 0.980 318 Q CA -0.002 55.815 55.803 0.024 0.000 0.882 318 Q CB 1.227 29.991 28.738 0.043 0.000 1.249 318 Q HN 0.582 nan 8.270 nan 0.000 0.438 319 S N 2.321 117.946 115.700 -0.125 0.000 2.516 319 S HA 0.297 4.767 4.470 -0.000 0.000 0.268 319 S C -0.316 174.051 174.600 -0.388 0.000 1.251 319 S CA -0.437 57.632 58.200 -0.218 0.000 1.153 319 S CB 0.228 63.315 63.200 -0.189 0.000 1.009 319 S HN 0.439 nan 8.310 nan 0.000 0.479 320 M N 5.885 125.240 119.600 -0.409 0.000 2.156 320 M HA 0.310 4.790 4.480 -0.000 0.000 0.345 320 M C -2.630 173.273 176.300 -0.661 0.000 1.398 320 M CA -2.027 53.003 55.300 -0.450 0.000 1.148 320 M CB 0.761 33.177 32.600 -0.306 0.000 1.663 320 M HN 0.192 nan 8.290 nan 0.000 0.464 321 P HA 0.098 nan 4.420 nan 0.000 0.276 321 P C -0.278 177.003 177.300 -0.032 0.000 1.243 321 P CA -0.231 62.758 63.100 -0.185 0.000 0.768 321 P CB 0.276 31.936 31.700 -0.067 0.000 0.856 322 N N 4.490 123.312 118.700 0.204 0.000 2.003 322 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 322 N C 0.200 175.787 175.510 0.127 0.000 1.136 322 N CA 0.719 53.935 53.050 0.277 0.000 0.960 322 N CB -0.220 38.447 38.487 0.301 0.000 0.992 322 N HN 0.357 nan 8.380 nan 0.000 0.425 323 R N -0.063 120.529 120.500 0.153 0.000 2.698 323 R HA 0.437 4.777 4.340 -0.000 0.000 0.275 323 R C -2.664 173.720 176.300 0.139 0.000 1.001 323 R CA -1.519 54.665 56.100 0.140 0.000 0.896 323 R CB 2.761 33.160 30.300 0.165 0.000 1.218 323 R HN 0.326 nan 8.270 nan 0.000 0.462 324 P HA 0.160 nan 4.420 nan 0.000 0.274 324 P C -1.178 176.125 177.300 0.006 0.000 1.231 324 P CA -0.306 62.799 63.100 0.007 0.000 0.790 324 P CB 0.675 32.403 31.700 0.046 0.000 0.951 325 N N 1.452 120.055 118.700 -0.161 0.000 2.726 325 N HA 0.136 4.876 4.740 -0.000 0.000 0.253 325 N C -1.089 174.372 175.510 -0.082 0.000 1.530 325 N CA -0.259 52.760 53.050 -0.052 0.000 0.772 325 N CB -0.125 38.336 38.487 -0.044 0.000 1.220 325 N HN 0.369 nan 8.380 nan 0.000 0.508 326 Y N 0.810 121.114 120.300 0.006 0.000 2.620 326 Y HA 0.262 4.812 4.550 -0.000 0.000 0.352 326 Y C 0.787 176.753 175.900 0.110 0.000 1.140 326 Y CA -0.600 57.529 58.100 0.048 0.000 1.529 326 Y CB 0.047 38.548 38.460 0.070 0.000 1.321 326 Y HN 0.240 nan 8.280 nan 0.000 0.501 327 I N 3.359 124.142 120.570 0.356 0.000 2.496 327 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 327 I C 0.142 176.370 176.117 0.186 0.000 1.080 327 I CA 0.335 61.793 61.300 0.263 0.000 1.404 327 I CB 0.701 38.861 38.000 0.267 0.000 1.403 327 I HN 0.651 nan 8.210 nan 0.000 0.539 328 A N 6.733 129.622 122.820 0.115 0.000 2.476 328 A HA 0.359 4.679 4.320 -0.000 0.000 0.280 328 A C -0.654 176.993 177.584 0.105 0.000 1.081 328 A CA -0.612 51.492 52.037 0.111 0.000 0.753 328 A CB 0.170 19.209 19.000 0.064 0.000 1.248 328 A HN 0.500 nan 8.150 nan 0.000 0.424 329 F N 4.998 124.972 119.950 0.039 0.000 2.477 329 F HA 0.076 4.603 4.527 -0.000 0.000 0.392 329 F C 1.277 177.110 175.800 0.054 0.000 1.028 329 F CA 0.528 58.548 58.000 0.032 0.000 1.069 329 F CB -0.009 39.018 39.000 0.044 0.000 0.970 329 F HN 0.680 nan 8.300 nan 0.000 0.540 330 R N 4.135 124.379 120.500 -0.427 0.000 4.076 330 R HA -0.284 4.056 4.340 -0.000 0.000 0.094 330 R C -0.004 176.256 176.300 -0.067 0.000 0.407 330 R CA 1.195 57.113 56.100 -0.303 0.000 0.736 330 R CB -0.892 29.122 30.300 -0.476 0.000 1.174 330 R HN 0.831 nan 8.270 nan 0.000 0.196 331 D N 2.795 123.151 120.400 -0.074 0.000 2.662 331 D HA -0.115 4.525 4.640 -0.000 0.000 0.237 331 D C 0.174 176.419 176.300 -0.091 0.000 1.154 331 D CA 0.518 54.463 54.000 -0.092 0.000 0.861 331 D CB 0.271 40.988 40.800 -0.138 0.000 1.146 331 D HN 0.593 nan 8.370 nan 0.000 0.518 332 N N 2.119 120.741 118.700 -0.130 0.000 2.974 332 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 332 N C -0.494 175.033 175.510 0.029 0.000 0.960 332 N CA 0.579 53.548 53.050 -0.133 0.000 1.054 332 N CB -1.050 37.395 38.487 -0.070 0.000 1.002 332 N HN 0.391 nan 8.380 nan 0.000 0.549 333 F N -1.267 118.776 119.950 0.155 0.000 2.950 333 F HA -0.188 4.339 4.527 -0.000 0.000 0.334 333 F C 0.114 176.090 175.800 0.292 0.000 0.979 333 F CA 0.347 58.500 58.000 0.256 0.000 1.140 333 F CB -2.307 36.677 39.000 -0.027 0.000 1.281 333 F HN 0.150 nan 8.300 nan 0.000 0.734 334 I N -1.590 119.247 120.570 0.445 0.000 2.488 334 I HA 0.766 4.936 4.170 -0.000 0.000 0.299 334 I C 1.245 177.413 176.117 0.086 0.000 0.984 334 I CA -0.322 61.061 61.300 0.138 0.000 1.250 334 I CB 1.391 39.360 38.000 -0.052 0.000 1.389 334 I HN 0.429 nan 8.210 nan 0.000 0.488 335 G N 3.335 112.159 108.800 0.041 0.000 2.140 335 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.211 335 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.211 335 G C -0.062 174.869 174.900 0.052 0.000 1.013 335 G CA 0.076 45.175 45.100 -0.002 0.000 0.705 335 G HN 0.596 nan 8.290 nan 0.000 0.508 336 L N -0.111 121.119 121.223 0.013 0.000 2.575 336 L HA 0.549 4.889 4.340 -0.000 0.000 0.188 336 L C 2.371 179.123 176.870 -0.197 0.000 1.290 336 L CA -0.364 54.415 54.840 -0.103 0.000 2.165 336 L CB -0.470 41.453 42.059 -0.225 0.000 1.984 336 L HN 0.243 nan 8.230 nan 0.000 1.006 337 M N -0.366 119.034 119.600 -0.333 0.000 2.130 337 M HA -0.197 4.283 4.480 -0.000 0.000 0.271 337 M C -0.732 175.182 176.300 -0.644 0.000 1.055 337 M CA 1.022 55.822 55.300 -0.834 0.000 1.028 337 M CB -0.350 31.002 32.600 -2.079 0.000 1.291 337 M HN 0.156 nan 8.290 nan 0.000 0.390 338 Y N 1.192 121.358 120.300 -0.224 0.000 2.638 338 Y HA 0.390 4.940 4.550 -0.000 0.000 0.367 338 Y C -0.665 175.591 175.900 0.593 0.000 1.001 338 Y CA -1.060 57.251 58.100 0.352 0.000 1.133 338 Y CB -0.278 38.382 38.460 0.332 0.000 1.199 338 Y HN 0.379 nan 8.280 nan 0.000 0.642 339 Y N -1.854 118.781 120.300 0.559 0.000 2.618 339 Y HA 0.394 4.944 4.550 -0.000 0.000 0.326 339 Y C 1.240 177.278 175.900 0.230 0.000 1.168 339 Y CA -1.528 56.859 58.100 0.477 0.000 1.269 339 Y CB 0.720 39.352 38.460 0.287 0.000 1.388 339 Y HN 0.277 nan 8.280 nan 0.000 0.528 340 N N -0.862 118.049 118.700 0.352 0.000 2.909 340 N HA -0.214 4.526 4.740 -0.000 0.000 0.242 340 N C -1.176 174.438 175.510 0.174 0.000 0.975 340 N CA 0.952 54.120 53.050 0.196 0.000 0.921 340 N CB -0.704 37.865 38.487 0.137 0.000 1.112 340 N HN 0.847 nan 8.380 nan 0.000 0.581 341 S N -2.849 112.969 115.700 0.196 0.000 2.541 341 S HA 0.636 5.106 4.470 -0.000 0.000 0.280 341 S C 0.957 175.588 174.600 0.051 0.000 1.112 341 S CA 0.014 58.274 58.200 0.100 0.000 0.925 341 S CB 2.006 65.244 63.200 0.063 0.000 1.067 341 S HN 0.156 nan 8.310 nan 0.000 0.479 342 T N 1.540 116.094 114.554 -0.000 0.000 2.739 342 T HA 0.189 4.539 4.350 -0.000 0.000 0.246 342 T C 2.083 176.719 174.700 -0.107 0.000 1.058 342 T CA 0.837 62.915 62.100 -0.036 0.000 1.184 342 T CB -1.406 67.452 68.868 -0.017 0.000 0.887 342 T HN 0.972 nan 8.240 nan 0.000 0.408 343 G N 1.645 110.379 108.800 -0.109 0.000 2.591 343 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 343 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 343 G C 0.529 175.294 174.900 -0.226 0.000 1.113 343 G CA 0.347 45.360 45.100 -0.145 0.000 0.740 343 G HN 0.546 nan 8.290 nan 0.000 0.569 344 N N -0.230 118.305 118.700 -0.276 0.000 2.533 344 N HA 0.506 5.246 4.740 -0.000 0.000 0.289 344 N C -0.347 174.930 175.510 -0.389 0.000 1.103 344 N CA -0.296 52.525 53.050 -0.382 0.000 0.877 344 N CB 1.162 39.283 38.487 -0.610 0.000 1.419 344 N HN 0.268 nan 8.380 nan 0.000 0.517 345 M N 0.429 119.615 119.600 -0.690 0.000 3.259 345 M HA 0.330 4.810 4.480 -0.000 0.000 0.432 345 M C -1.809 173.638 176.300 -1.422 0.000 1.661 345 M CA -0.776 53.590 55.300 -1.556 0.000 0.885 345 M CB 0.865 32.735 32.600 -1.217 0.000 2.895 345 M HN 0.265 nan 8.290 nan 0.000 0.530 346 G N 2.217 110.021 108.800 -1.659 0.000 2.975 346 G HA2 0.560 4.520 3.960 -0.000 0.000 0.299 346 G HA3 0.560 4.520 3.960 -0.000 0.000 0.299 346 G C -0.543 174.213 174.900 -0.241 0.000 1.587 346 G CA -0.113 44.578 45.100 -0.682 0.000 1.052 346 G HN 1.186 nan 8.290 nan 0.000 0.545 347 V N 1.051 120.863 119.914 -0.171 0.000 3.178 347 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 347 V C 0.499 176.679 176.094 0.143 0.000 1.107 347 V CA -0.544 61.762 62.300 0.010 0.000 1.195 347 V CB 0.479 32.291 31.823 -0.018 0.000 0.993 347 V HN 0.425 nan 8.190 nan 0.000 0.493 348 L N 2.451 123.772 121.223 0.163 0.000 2.472 348 L HA 0.966 5.306 4.340 -0.000 0.000 0.256 348 L C 0.554 177.514 176.870 0.151 0.000 1.111 348 L CA 0.393 55.337 54.840 0.174 0.000 0.800 348 L CB 0.615 42.764 42.059 0.149 0.000 1.286 348 L HN 1.256 nan 8.230 nan 0.000 0.479 349 A N -0.364 122.566 122.820 0.184 0.000 5.060 349 A HA 0.521 4.841 4.320 -0.000 0.000 0.103 349 A C 0.260 177.981 177.584 0.227 0.000 1.202 349 A CA 0.366 52.505 52.037 0.170 0.000 1.687 349 A CB -0.269 18.799 19.000 0.113 0.000 2.245 349 A HN 0.730 nan 8.150 nan 0.000 1.033 350 G N -1.337 107.542 108.800 0.132 0.000 3.581 350 G HA2 0.466 4.426 3.960 -0.000 0.000 0.248 350 G HA3 0.466 4.426 3.960 -0.000 0.000 0.248 350 G C 0.508 175.409 174.900 0.001 0.000 1.037 350 G CA 1.724 46.842 45.100 0.030 0.000 0.902 350 G HN 1.696 nan 8.290 nan 0.000 0.512 351 Q N -0.939 118.893 119.800 0.054 0.000 2.999 351 Q HA -0.332 4.008 4.340 -0.000 0.000 0.198 351 Q C 1.219 177.225 176.000 0.010 0.000 2.818 351 Q CA 2.313 58.141 55.803 0.041 0.000 0.236 351 Q CB -1.715 27.057 28.738 0.057 0.000 0.201 351 Q HN 1.022 nan 8.270 nan 0.000 0.436 352 A N 0.564 123.377 122.820 -0.011 0.000 3.003 352 A HA 0.602 4.922 4.320 -0.000 0.000 0.301 352 A C 0.067 177.637 177.584 -0.024 0.000 1.280 352 A CA 0.704 52.730 52.037 -0.018 0.000 0.973 352 A CB 0.257 19.242 19.000 -0.024 0.000 1.110 352 A HN 1.138 nan 8.150 nan 0.000 0.590 353 S N -1.196 114.495 115.700 -0.014 0.000 4.489 353 S HA -0.063 4.407 4.470 -0.000 0.000 0.054 353 S C -0.145 174.461 174.600 0.010 0.000 0.861 353 S CA -0.166 58.029 58.200 -0.007 0.000 0.867 353 S CB -2.132 61.057 63.200 -0.019 0.000 0.619 353 S HN 0.710 nan 8.310 nan 0.000 0.781 354 Q N 1.094 120.904 119.800 0.017 0.000 1.703 354 Q HA 0.079 4.419 4.340 -0.000 0.000 0.088 354 Q C 0.364 176.389 176.000 0.041 0.000 0.712 354 Q CA -0.061 55.762 55.803 0.033 0.000 1.061 354 Q CB -0.928 27.821 28.738 0.019 0.000 1.455 354 Q HN 0.479 nan 8.270 nan 0.000 0.295 355 L N 1.918 123.172 121.223 0.052 0.000 4.127 355 L HA -0.025 4.315 4.340 -0.000 0.000 0.248 355 L C 0.263 177.174 176.870 0.068 0.000 1.496 355 L CA 0.294 55.168 54.840 0.057 0.000 1.022 355 L CB -2.730 39.370 42.059 0.067 0.000 1.484 355 L HN 0.602 nan 8.230 nan 0.000 0.436 356 N N 1.849 120.583 118.700 0.056 0.000 1.914 356 N HA -0.038 4.702 4.740 -0.000 0.000 0.307 356 N C -0.175 175.378 175.510 0.071 0.000 1.207 356 N CA 1.249 54.334 53.050 0.058 0.000 0.818 356 N CB 0.503 39.011 38.487 0.034 0.000 1.034 356 N HN 0.470 nan 8.380 nan 0.000 0.488 357 A N 2.040 124.912 122.820 0.087 0.000 2.667 357 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 357 A C -1.119 176.547 177.584 0.137 0.000 1.123 357 A CA -0.115 51.981 52.037 0.099 0.000 0.832 357 A CB 0.151 19.207 19.000 0.094 0.000 1.396 357 A HN 1.022 nan 8.150 nan 0.000 0.401 358 V N -1.482 118.517 119.914 0.142 0.000 3.282 358 V HA 0.921 5.041 4.120 -0.000 0.000 0.295 358 V C -0.927 175.285 176.094 0.197 0.000 1.451 358 V CA -0.898 61.523 62.300 0.202 0.000 1.062 358 V CB 1.520 33.442 31.823 0.165 0.000 1.128 358 V HN 1.383 nan 8.190 nan 0.000 0.456 359 V N 0.940 121.005 119.914 0.252 0.000 2.857 359 V HA 0.468 4.588 4.120 -0.000 0.000 0.267 359 V C -2.041 174.206 176.094 0.256 0.000 1.193 359 V CA 0.006 62.450 62.300 0.239 0.000 0.933 359 V CB 1.394 33.391 31.823 0.290 0.000 1.073 359 V HN 1.080 nan 8.190 nan 0.000 0.479 360 D N 6.018 126.534 120.400 0.194 0.000 2.471 360 D HA 0.664 5.304 4.640 -0.000 0.000 0.245 360 D C -0.261 176.123 176.300 0.139 0.000 1.116 360 D CA 0.038 54.148 54.000 0.184 0.000 0.853 360 D CB 1.930 42.847 40.800 0.195 0.000 1.123 360 D HN 0.453 nan 8.370 nan 0.000 0.540 361 L N 0.432 121.735 121.223 0.133 0.000 2.343 361 L HA 0.515 4.855 4.340 -0.000 0.000 0.264 361 L C 1.614 178.529 176.870 0.076 0.000 1.050 361 L CA -0.878 54.021 54.840 0.098 0.000 0.956 361 L CB 0.734 42.850 42.059 0.095 0.000 1.576 361 L HN 0.104 nan 8.230 nan 0.000 0.521 362 Q N -0.691 119.142 119.800 0.055 0.000 2.259 362 Q HA 0.023 4.363 4.340 -0.000 0.000 0.201 362 Q C 0.013 176.005 176.000 -0.014 0.000 0.938 362 Q CA 0.594 56.414 55.803 0.028 0.000 0.872 362 Q CB 0.548 29.309 28.738 0.037 0.000 0.971 362 Q HN 0.567 nan 8.270 nan 0.000 0.494 363 D N 0.865 121.256 120.400 -0.015 0.000 3.060 363 D HA 0.119 4.759 4.640 -0.000 0.000 0.245 363 D C -0.216 176.064 176.300 -0.034 0.000 1.274 363 D CA 0.146 54.081 54.000 -0.108 0.000 0.864 363 D CB 0.242 40.993 40.800 -0.081 0.000 1.073 363 D HN -0.021 nan 8.370 nan 0.000 0.473 364 R N 0.318 120.831 120.500 0.021 0.000 3.150 364 R HA 0.573 4.913 4.340 -0.000 0.000 0.236 364 R C -0.933 175.423 176.300 0.092 0.000 1.469 364 R CA -0.887 55.271 56.100 0.097 0.000 1.045 364 R CB 0.943 31.320 30.300 0.129 0.000 1.481 364 R HN 0.114 nan 8.270 nan 0.000 0.506 365 N N -0.975 117.788 118.700 0.105 0.000 4.252 365 N HA -0.037 4.703 4.740 -0.000 0.000 0.145 365 N C -0.494 174.979 175.510 -0.061 0.000 1.398 365 N CA 0.487 53.557 53.050 0.034 0.000 1.038 365 N CB -0.304 38.230 38.487 0.078 0.000 1.738 365 N HN 0.487 nan 8.380 nan 0.000 0.776 366 T N -0.602 113.826 114.554 -0.210 0.000 2.732 366 T HA -0.037 4.313 4.350 -0.000 0.000 0.261 366 T C 1.189 175.557 174.700 -0.554 0.000 1.040 366 T CA 0.951 62.736 62.100 -0.525 0.000 1.145 366 T CB -0.107 68.209 68.868 -0.922 0.000 0.866 366 T HN 0.327 nan 8.240 nan 0.000 0.427 367 E N 1.151 121.091 120.200 -0.433 0.000 2.358 367 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 367 E C 2.107 178.541 176.600 -0.276 0.000 1.010 367 E CA 0.188 56.384 56.400 -0.340 0.000 0.856 367 E CB -0.261 29.311 29.700 -0.212 0.000 0.795 367 E HN 0.513 nan 8.360 nan 0.000 0.504 368 L N 0.381 121.451 121.223 -0.254 0.000 2.291 368 L HA 0.068 4.408 4.340 -0.000 0.000 0.214 368 L C 1.099 177.910 176.870 -0.098 0.000 1.120 368 L CA 0.354 55.075 54.840 -0.198 0.000 0.799 368 L CB 0.069 42.019 42.059 -0.183 0.000 0.925 368 L HN -0.203 nan 8.230 nan 0.000 0.446 369 S N -0.155 115.470 115.700 -0.124 0.000 2.571 369 S HA 0.108 4.578 4.470 -0.000 0.000 0.298 369 S C -0.539 174.103 174.600 0.070 0.000 1.280 369 S CA 0.500 58.668 58.200 -0.053 0.000 1.052 369 S CB -0.172 62.914 63.200 -0.190 0.000 0.799 369 S HN 0.455 nan 8.310 nan 0.000 0.501 370 Y N 0.106 120.367 120.300 -0.064 0.000 2.760 370 Y HA -0.209 4.341 4.550 -0.000 0.000 0.348 370 Y C 1.108 176.998 175.900 -0.017 0.000 1.282 370 Y CA 0.307 58.373 58.100 -0.055 0.000 1.047 370 Y CB -1.144 37.270 38.460 -0.076 0.000 3.452 370 Y HN 0.795 nan 8.280 nan 0.000 0.311 371 Q N -1.810 118.037 119.800 0.079 0.000 2.100 371 Q HA -0.315 4.025 4.340 -0.000 0.000 0.163 371 Q C 0.719 176.679 176.000 -0.067 0.000 0.618 371 Q CA 2.236 58.024 55.803 -0.024 0.000 1.485 371 Q CB -1.619 27.154 28.738 0.057 0.000 1.627 371 Q HN 0.618 nan 8.270 nan 0.000 0.824 372 L N -0.026 121.186 121.223 -0.019 0.000 2.630 372 L HA 0.087 4.427 4.340 -0.000 0.000 0.180 372 L C 2.140 178.925 176.870 -0.143 0.000 1.221 372 L CA 0.592 55.423 54.840 -0.014 0.000 0.853 372 L CB -0.405 41.677 42.059 0.038 0.000 1.172 372 L HN 0.126 nan 8.230 nan 0.000 0.508 373 L N 0.537 121.609 121.223 -0.252 0.000 2.198 373 L HA -0.241 4.099 4.340 -0.000 0.000 0.218 373 L C 1.845 178.584 176.870 -0.218 0.000 1.084 373 L CA 1.972 56.609 54.840 -0.338 0.000 0.779 373 L CB -2.167 39.677 42.059 -0.358 0.000 0.890 373 L HN 0.381 nan 8.230 nan 0.000 0.439 374 L N -1.447 119.647 121.223 -0.215 0.000 2.728 374 L HA 0.281 4.621 4.340 -0.000 0.000 0.235 374 L C 1.238 178.041 176.870 -0.112 0.000 1.197 374 L CA 0.400 55.130 54.840 -0.184 0.000 0.992 374 L CB -0.415 41.479 42.059 -0.275 0.000 1.263 374 L HN 0.132 nan 8.230 nan 0.000 0.484 375 D N -1.285 119.065 120.400 -0.084 0.000 2.469 375 D HA -0.034 4.606 4.640 -0.000 0.000 0.240 375 D C 1.860 178.168 176.300 0.013 0.000 1.087 375 D CA 0.450 54.430 54.000 -0.032 0.000 0.876 375 D CB 0.338 41.110 40.800 -0.046 0.000 1.160 375 D HN 0.022 nan 8.370 nan 0.000 0.497 376 S N -0.090 115.615 115.700 0.008 0.000 2.419 376 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 376 S C 0.915 175.556 174.600 0.068 0.000 1.019 376 S CA 0.778 59.013 58.200 0.058 0.000 0.982 376 S CB -0.405 62.824 63.200 0.049 0.000 0.789 376 S HN 0.493 nan 8.310 nan 0.000 0.490 377 I N -0.107 120.484 120.570 0.036 0.000 2.555 377 I HA 0.737 4.907 4.170 -0.000 0.000 0.275 377 I C -0.024 176.104 176.117 0.019 0.000 1.082 377 I CA -0.612 60.712 61.300 0.041 0.000 1.167 377 I CB 1.268 39.286 38.000 0.029 0.000 1.312 377 I HN 0.005 nan 8.210 nan 0.000 0.493 378 G N 2.947 111.766 108.800 0.033 0.000 2.318 378 G HA2 0.186 4.146 3.960 -0.000 0.000 0.306 378 G HA3 0.186 4.146 3.960 -0.000 0.000 0.306 378 G C -1.975 172.943 174.900 0.030 0.000 1.696 378 G CA -0.880 44.233 45.100 0.022 0.000 0.905 378 G HN 0.589 nan 8.290 nan 0.000 0.700 379 D N 1.278 121.686 120.400 0.014 0.000 2.639 379 D HA 0.196 4.836 4.640 -0.000 0.000 0.233 379 D C 1.545 177.827 176.300 -0.029 0.000 1.161 379 D CA -0.722 53.281 54.000 0.005 0.000 1.003 379 D CB 0.208 41.008 40.800 -0.002 0.000 1.034 379 D HN 0.389 nan 8.370 nan 0.000 0.514 380 R N 1.777 122.270 120.500 -0.012 0.000 2.845 380 R HA 0.009 4.349 4.340 -0.000 0.000 0.220 380 R C 0.228 176.378 176.300 -0.250 0.000 1.528 380 R CA 0.123 56.177 56.100 -0.077 0.000 1.374 380 R CB -1.001 29.376 30.300 0.129 0.000 1.104 380 R HN 0.221 nan 8.270 nan 0.000 0.510 381 T N 1.104 115.541 114.554 -0.195 0.000 3.308 381 T HA -0.016 4.334 4.350 -0.000 0.000 0.255 381 T C 0.181 174.643 174.700 -0.397 0.000 1.162 381 T CA 0.430 62.405 62.100 -0.209 0.000 1.031 381 T CB -0.315 68.492 68.868 -0.101 0.000 0.973 381 T HN 0.498 nan 8.240 nan 0.000 0.544 382 R N -1.077 119.052 120.500 -0.618 0.000 2.692 382 R HA 0.616 4.956 4.340 -0.000 0.000 0.269 382 R C -1.308 174.492 176.300 -0.833 0.000 1.030 382 R CA -0.999 54.678 56.100 -0.705 0.000 0.882 382 R CB 0.884 31.012 30.300 -0.287 0.000 1.250 382 R HN 0.019 nan 8.270 nan 0.000 0.465 383 Y N -0.055 120.287 120.300 0.069 0.000 2.420 383 Y HA 0.680 5.230 4.550 -0.000 0.000 0.099 383 Y C 0.541 176.641 175.900 0.334 0.000 1.023 383 Y CA -0.278 57.919 58.100 0.161 0.000 1.758 383 Y CB 0.181 38.641 38.460 -0.000 0.000 1.102 383 Y HN 0.614 nan 8.280 nan 0.000 0.246 384 F N -2.468 117.622 119.950 0.233 0.000 4.279 384 F HA 0.801 5.328 4.527 -0.000 0.000 0.335 384 F C -1.151 174.713 175.800 0.105 0.000 1.051 384 F CA -1.028 57.044 58.000 0.120 0.000 0.842 384 F CB 1.079 40.117 39.000 0.064 0.000 1.848 384 F HN 0.124 nan 8.300 nan 0.000 0.507 385 S N -0.419 115.495 115.700 0.357 0.000 2.656 385 S HA 0.460 4.929 4.470 -0.000 0.000 0.265 385 S C -0.421 174.288 174.600 0.182 0.000 1.132 385 S CA -0.102 58.163 58.200 0.108 0.000 0.819 385 S CB 1.436 64.668 63.200 0.055 0.000 1.119 385 S HN 1.162 nan 8.310 nan 0.000 0.476 386 M N -0.564 119.066 119.600 0.051 0.000 2.778 386 M HA -0.211 4.269 4.480 -0.000 0.000 0.137 386 M C 0.687 177.111 176.300 0.207 0.000 0.710 386 M CA 2.317 57.693 55.300 0.127 0.000 0.524 386 M CB -1.653 31.029 32.600 0.137 0.000 1.945 386 M HN 0.881 nan 8.290 nan 0.000 0.254 387 W N 0.878 122.191 121.300 0.021 0.000 2.961 387 W HA 0.017 4.677 4.660 -0.000 0.000 0.240 387 W C 0.827 177.214 176.519 -0.220 0.000 1.305 387 W CA 0.322 57.704 57.345 0.061 0.000 1.465 387 W CB 0.013 29.671 29.460 0.330 0.000 1.135 387 W HN 0.622 nan 8.180 nan 0.000 0.688 388 N N 1.254 119.822 118.700 -0.219 0.000 2.621 388 N HA -0.212 4.528 4.740 -0.000 0.000 0.269 388 N C -0.650 174.590 175.510 -0.450 0.000 1.154 388 N CA 0.758 53.501 53.050 -0.511 0.000 0.696 388 N CB -1.036 36.837 38.487 -1.023 0.000 0.878 388 N HN 0.224 nan 8.380 nan 0.000 0.550 389 Q N 0.495 119.857 119.800 -0.728 0.000 2.306 389 Q HA 0.753 5.093 4.340 -0.000 0.000 0.265 389 Q C -0.798 174.851 176.000 -0.584 0.000 1.022 389 Q CA -0.201 55.058 55.803 -0.908 0.000 0.853 389 Q CB 1.476 28.995 28.738 -2.031 0.000 1.327 389 Q HN 0.528 nan 8.270 nan 0.000 0.449 390 A N 3.065 125.600 122.820 -0.475 0.000 2.948 390 A HA 0.082 4.402 4.320 -0.000 0.000 0.220 390 A C -0.673 176.676 177.584 -0.392 0.000 1.392 390 A CA -0.385 51.444 52.037 -0.348 0.000 1.430 390 A CB -0.323 18.555 19.000 -0.203 0.000 1.161 390 A HN 0.509 nan 8.150 nan 0.000 0.840 391 V N 1.882 121.431 119.914 -0.608 0.000 2.611 391 V HA 0.059 4.179 4.120 -0.000 0.000 0.296 391 V C -0.310 175.587 176.094 -0.328 0.000 1.006 391 V CA 0.589 62.600 62.300 -0.481 0.000 1.194 391 V CB -0.343 31.102 31.823 -0.632 0.000 0.871 391 V HN 0.528 nan 8.190 nan 0.000 0.470 392 D N 6.466 126.774 120.400 -0.154 0.000 2.382 392 D HA 0.282 4.922 4.640 -0.000 0.000 0.259 392 D C 0.511 176.805 176.300 -0.011 0.000 1.224 392 D CA 0.758 54.735 54.000 -0.040 0.000 0.894 392 D CB 1.102 41.923 40.800 0.034 0.000 1.127 392 D HN 0.894 nan 8.370 nan 0.000 0.487 393 S N 1.526 117.154 115.700 -0.120 0.000 4.323 393 S HA 0.726 5.196 4.470 -0.000 0.000 0.245 393 S C -1.020 173.256 174.600 -0.541 0.000 1.102 393 S CA -0.775 57.123 58.200 -0.503 0.000 1.550 393 S CB 1.091 64.051 63.200 -0.399 0.000 1.359 393 S HN 0.530 nan 8.310 nan 0.000 0.725 394 Y N -1.186 119.149 120.300 0.058 0.000 2.601 394 Y HA 0.533 5.083 4.550 -0.000 0.000 0.354 394 Y C -1.444 174.466 175.900 0.016 0.000 1.270 394 Y CA -1.568 56.558 58.100 0.043 0.000 1.386 394 Y CB -0.985 37.526 38.460 0.085 0.000 1.362 394 Y HN 0.529 nan 8.280 nan 0.000 0.504 395 D N 4.559 125.059 120.400 0.166 0.000 2.749 395 D HA 0.015 4.655 4.640 -0.000 0.000 0.222 395 D C -1.431 174.978 176.300 0.182 0.000 1.131 395 D CA 0.123 54.190 54.000 0.111 0.000 0.845 395 D CB 0.726 41.559 40.800 0.054 0.000 1.196 395 D HN 0.378 nan 8.370 nan 0.000 0.503 396 P HA -0.269 nan 4.420 nan 0.000 0.211 396 P C 0.797 178.194 177.300 0.161 0.000 0.948 396 P CA 1.496 64.678 63.100 0.136 0.000 1.010 396 P CB 0.003 31.754 31.700 0.085 0.000 0.737 397 D N -0.912 119.561 120.400 0.121 0.000 2.315 397 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 397 D C 0.527 176.873 176.300 0.076 0.000 1.010 397 D CA 0.773 54.841 54.000 0.113 0.000 0.911 397 D CB -1.075 39.822 40.800 0.161 0.000 0.897 397 D HN 0.090 nan 8.370 nan 0.000 0.455 398 V N 1.332 121.286 119.914 0.068 0.000 2.788 398 V HA -0.039 4.081 4.120 -0.000 0.000 0.307 398 V C 1.455 177.271 176.094 -0.464 0.000 1.069 398 V CA 0.503 62.734 62.300 -0.115 0.000 1.173 398 V CB 0.922 32.730 31.823 -0.025 0.000 0.925 398 V HN 0.267 nan 8.190 nan 0.000 0.492 399 R N 2.814 123.064 120.500 -0.417 0.000 2.147 399 R HA -0.213 4.127 4.340 -0.000 0.000 0.158 399 R C 0.076 176.255 176.300 -0.202 0.000 0.870 399 R CA 2.108 57.951 56.100 -0.428 0.000 1.862 399 R CB -1.729 28.094 30.300 -0.795 0.000 0.805 399 R HN 0.543 nan 8.270 nan 0.000 0.659 400 I N 0.479 120.962 120.570 -0.144 0.000 3.488 400 I HA 0.411 4.581 4.170 -0.000 0.000 0.259 400 I C 0.593 176.728 176.117 0.030 0.000 1.247 400 I CA -0.484 60.790 61.300 -0.044 0.000 0.812 400 I CB 0.334 38.324 38.000 -0.016 0.000 1.672 400 I HN 0.296 nan 8.210 nan 0.000 0.819 401 I N 1.732 122.349 120.570 0.079 0.000 2.931 401 I HA 0.182 4.352 4.170 -0.000 0.000 0.322 401 I C -0.144 176.051 176.117 0.129 0.000 1.446 401 I CA -0.099 61.276 61.300 0.125 0.000 0.825 401 I CB -0.056 38.035 38.000 0.152 0.000 2.195 401 I HN 0.376 nan 8.210 nan 0.000 0.608 402 E N 2.936 123.200 120.200 0.106 0.000 1.939 402 E HA -0.017 4.333 4.350 -0.000 0.000 0.259 402 E C -0.361 176.311 176.600 0.121 0.000 1.259 402 E CA 0.154 56.600 56.400 0.077 0.000 0.971 402 E CB 0.221 29.943 29.700 0.037 0.000 1.055 402 E HN 0.333 nan 8.360 nan 0.000 0.420 403 N N 2.516 121.298 118.700 0.137 0.000 2.509 403 N HA 0.074 4.814 4.740 -0.000 0.000 0.287 403 N C 0.284 175.926 175.510 0.220 0.000 1.121 403 N CA 0.001 53.168 53.050 0.195 0.000 0.977 403 N CB 0.868 39.442 38.487 0.145 0.000 1.167 403 N HN 0.670 nan 8.380 nan 0.000 0.476 404 H N 1.226 120.281 119.070 -0.026 0.000 2.170 404 H HA 0.206 4.762 4.556 -0.000 0.000 0.131 404 H C 0.835 176.050 175.328 -0.189 0.000 1.173 404 H CA 0.792 56.787 56.048 -0.089 0.000 1.147 404 H CB 0.111 29.822 29.762 -0.085 0.000 0.697 404 H HN 0.665 nan 8.280 nan 0.000 0.259 405 G N 0.948 109.068 108.800 -1.134 0.000 2.846 405 G HA2 0.093 4.053 3.960 -0.000 0.000 0.225 405 G HA3 0.093 4.053 3.960 -0.000 0.000 0.225 405 G C -0.511 173.717 174.900 -1.119 0.000 1.285 405 G CA 1.091 45.564 45.100 -1.045 0.000 1.055 405 G HN 1.231 nan 8.290 nan 0.000 0.579 406 T N -1.618 112.568 114.554 -0.613 0.000 2.749 406 T HA 0.531 4.881 4.350 -0.000 0.000 0.310 406 T C -1.075 173.478 174.700 -0.244 0.000 1.496 406 T CA -0.379 61.450 62.100 -0.451 0.000 1.006 406 T CB 1.876 70.459 68.868 -0.475 0.000 1.457 406 T HN 0.626 nan 8.240 nan 0.000 0.497 407 E N 1.994 122.087 120.200 -0.179 0.000 2.030 407 E HA 0.120 4.470 4.350 -0.000 0.000 0.267 407 E C 0.798 177.338 176.600 -0.100 0.000 1.172 407 E CA 0.210 56.541 56.400 -0.114 0.000 1.080 407 E CB -0.397 29.250 29.700 -0.088 0.000 1.080 407 E HN 0.751 nan 8.360 nan 0.000 0.446 408 D N 1.191 121.534 120.400 -0.095 0.000 2.277 408 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 408 D C 0.723 176.991 176.300 -0.054 0.000 0.962 408 D CA 0.578 54.533 54.000 -0.075 0.000 0.865 408 D CB 0.206 40.964 40.800 -0.070 0.000 0.939 408 D HN 0.233 nan 8.370 nan 0.000 0.510 409 E N -0.495 119.676 120.200 -0.049 0.000 2.533 409 E HA 0.075 4.425 4.350 -0.000 0.000 0.203 409 E C -0.270 176.313 176.600 -0.028 0.000 1.101 409 E CA 0.230 56.610 56.400 -0.034 0.000 0.894 409 E CB -0.036 29.645 29.700 -0.031 0.000 0.843 409 E HN 0.392 nan 8.360 nan 0.000 0.552 410 L N 1.007 122.207 121.223 -0.039 0.000 2.343 410 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 410 L C -2.555 174.284 176.870 -0.052 0.000 0.996 410 L CA -2.543 52.273 54.840 -0.041 0.000 0.831 410 L CB 1.539 43.565 42.059 -0.056 0.000 1.232 410 L HN -0.185 nan 8.230 nan 0.000 0.413 411 P HA 0.273 nan 4.420 nan 0.000 0.276 411 P C -1.695 175.498 177.300 -0.178 0.000 1.230 411 P CA -0.383 62.712 63.100 -0.009 0.000 0.776 411 P CB 0.613 32.397 31.700 0.141 0.000 0.888 412 N N 2.188 120.777 118.700 -0.185 0.000 2.372 412 N HA 0.338 5.078 4.740 -0.000 0.000 0.285 412 N C -0.214 175.159 175.510 -0.228 0.000 1.008 412 N CA -0.559 52.283 53.050 -0.346 0.000 0.880 412 N CB 0.793 39.155 38.487 -0.208 0.000 1.239 412 N HN 0.287 nan 8.380 nan 0.000 0.484 413 Y N 0.110 120.295 120.300 -0.191 0.000 2.984 413 Y HA 0.667 5.217 4.550 -0.000 0.000 0.193 413 Y C 0.341 175.996 175.900 -0.408 0.000 0.897 413 Y CA -1.490 56.411 58.100 -0.332 0.000 1.183 413 Y CB 0.261 38.427 38.460 -0.490 0.000 1.064 413 Y HN 0.385 nan 8.280 nan 0.000 0.462 414 C N 0.602 119.592 119.300 -0.518 0.000 3.162 414 C HA 0.298 4.758 4.460 -0.000 0.000 0.368 414 C C -1.711 172.983 174.990 -0.493 0.000 1.016 414 C CA -1.429 57.339 59.018 -0.418 0.000 1.387 414 C CB -1.758 25.858 27.740 -0.207 0.000 1.746 414 C HN 0.418 nan 8.230 nan 0.000 0.462 415 F N 4.617 124.599 119.950 0.053 0.000 2.480 415 F HA 0.708 5.235 4.527 -0.000 0.000 0.329 415 F C -0.709 175.107 175.800 0.026 0.000 1.091 415 F CA -1.546 56.485 58.000 0.052 0.000 0.972 415 F CB 0.610 39.639 39.000 0.049 0.000 1.150 415 F HN 0.370 nan 8.300 nan 0.000 0.467 416 P HA 0.167 nan 4.420 nan 0.000 0.209 416 P C 0.429 177.754 177.300 0.042 0.000 1.158 416 P CA 0.809 63.975 63.100 0.111 0.000 0.899 416 P CB 0.605 32.381 31.700 0.126 0.000 0.756 417 L N -6.405 114.830 121.223 0.020 0.000 4.368 417 L HA 0.651 4.991 4.340 -0.000 0.000 0.430 417 L C 0.522 177.339 176.870 -0.088 0.000 1.098 417 L CA 0.767 55.532 54.840 -0.126 0.000 1.557 417 L CB 0.623 42.553 42.059 -0.215 0.000 1.638 417 L HN 0.363 nan 8.230 nan 0.000 0.622 418 G N -0.150 108.670 108.800 0.033 0.000 1.884 418 G HA2 0.435 4.395 3.960 -0.000 0.000 0.053 418 G HA3 0.435 4.395 3.960 -0.000 0.000 0.053 418 G C 0.329 175.283 174.900 0.090 0.000 0.780 418 G CA 0.201 45.325 45.100 0.040 0.000 1.118 418 G HN 1.489 nan 8.290 nan 0.000 0.344 419 G N -1.200 107.565 108.800 -0.057 0.000 2.661 419 G HA2 0.595 4.555 3.960 -0.000 0.000 0.262 419 G HA3 0.595 4.555 3.960 -0.000 0.000 0.262 419 G C -0.814 173.669 174.900 -0.696 0.000 1.310 419 G CA 0.471 45.432 45.100 -0.232 0.000 1.160 419 G HN 1.764 nan 8.290 nan 0.000 0.598 420 V N 2.651 122.375 119.914 -0.318 0.000 3.121 420 V HA 0.788 4.908 4.120 -0.000 0.000 0.308 420 V C 0.311 176.362 176.094 -0.072 0.000 1.492 420 V CA -0.636 61.510 62.300 -0.256 0.000 1.034 420 V CB 1.867 33.602 31.823 -0.148 0.000 1.066 420 V HN 1.238 nan 8.190 nan 0.000 0.472 421 I N 0.408 120.950 120.570 -0.046 0.000 2.595 421 I HA -0.041 4.129 4.170 -0.000 0.000 0.351 421 I C 0.005 176.116 176.117 -0.010 0.000 0.743 421 I CA 0.237 61.535 61.300 -0.004 0.000 0.738 421 I CB -0.482 37.530 38.000 0.019 0.000 3.797 421 I HN 0.915 nan 8.210 nan 0.000 0.976 422 N N 2.507 121.187 118.700 -0.033 0.000 2.994 422 N HA 0.128 4.868 4.740 -0.000 0.000 0.306 422 N C 0.495 175.992 175.510 -0.022 0.000 1.348 422 N CA 0.057 53.091 53.050 -0.026 0.000 1.109 422 N CB 0.418 38.880 38.487 -0.041 0.000 1.415 422 N HN 0.336 nan 8.380 nan 0.000 0.529 423 T N -1.470 113.078 114.554 -0.011 0.000 2.743 423 T HA 0.233 4.583 4.350 -0.000 0.000 0.290 423 T C -0.018 174.678 174.700 -0.007 0.000 0.908 423 T CA -0.339 61.758 62.100 -0.005 0.000 1.092 423 T CB 0.748 69.618 68.868 0.003 0.000 0.882 423 T HN 0.182 nan 8.240 nan 0.000 0.531 424 E N 2.330 122.524 120.200 -0.010 0.000 2.199 424 E HA 0.516 4.866 4.350 -0.000 0.000 0.269 424 E C -0.645 175.946 176.600 -0.015 0.000 0.899 424 E CA -0.769 55.625 56.400 -0.011 0.000 0.772 424 E CB 1.802 31.496 29.700 -0.010 0.000 1.155 424 E HN 0.637 nan 8.360 nan 0.000 0.408 425 T N 3.282 117.826 114.554 -0.016 0.000 2.861 425 T HA 0.642 4.992 4.350 -0.000 0.000 0.287 425 T C -0.790 173.895 174.700 -0.026 0.000 1.003 425 T CA -0.600 61.487 62.100 -0.023 0.000 0.977 425 T CB 0.575 69.429 68.868 -0.023 0.000 0.996 425 T HN 0.262 nan 8.240 nan 0.000 0.448 426 L N 1.133 122.336 121.223 -0.034 0.000 2.479 426 L HA 0.646 4.986 4.340 -0.000 0.000 0.255 426 L C 0.256 177.096 176.870 -0.051 0.000 1.026 426 L CA -1.079 53.739 54.840 -0.036 0.000 0.842 426 L CB 2.372 44.413 42.059 -0.031 0.000 1.444 426 L HN 0.597 nan 8.230 nan 0.000 0.409 427 T N -2.034 112.487 114.554 -0.054 0.000 2.847 427 T HA 0.395 4.745 4.350 -0.000 0.000 0.237 427 T C -0.141 174.515 174.700 -0.073 0.000 1.049 427 T CA -0.485 61.574 62.100 -0.069 0.000 1.107 427 T CB 0.885 69.715 68.868 -0.062 0.000 2.638 427 T HN 0.357 nan 8.240 nan 0.000 0.487 428 K N -0.517 119.839 120.400 -0.074 0.000 2.400 428 K HA 0.769 5.089 4.320 -0.000 0.000 0.249 428 K C -1.568 174.966 176.600 -0.110 0.000 1.069 428 K CA -0.741 55.496 56.287 -0.083 0.000 0.965 428 K CB 1.454 33.917 32.500 -0.062 0.000 1.365 428 K HN 0.167 nan 8.250 nan 0.000 0.539 429 V N 2.116 121.941 119.914 -0.148 0.000 5.013 429 V HA 0.012 4.132 4.120 -0.000 0.000 0.382 429 V C -1.082 174.844 176.094 -0.279 0.000 1.218 429 V CA -0.590 61.574 62.300 -0.226 0.000 2.014 429 V CB 0.977 32.609 31.823 -0.318 0.000 0.414 429 V HN 0.625 nan 8.190 nan 0.000 0.472 430 K N 3.694 123.992 120.400 -0.171 0.000 2.504 430 K HA 0.044 4.364 4.320 -0.000 0.000 0.278 430 K C -1.018 175.470 176.600 -0.185 0.000 1.025 430 K CA -0.638 55.564 56.287 -0.142 0.000 1.093 430 K CB 1.196 33.657 32.500 -0.066 0.000 0.873 430 K HN 0.246 nan 8.250 nan 0.000 0.483 431 P HA -0.268 nan 4.420 nan 0.000 0.210 431 P C 0.400 177.728 177.300 0.048 0.000 1.151 431 P CA 1.866 64.893 63.100 -0.123 0.000 0.949 431 P CB 0.174 31.869 31.700 -0.009 0.000 0.786 432 K N -5.025 115.406 120.400 0.051 0.000 2.822 432 K HA -0.150 4.170 4.320 -0.000 0.000 0.435 432 K C 0.615 177.265 176.600 0.083 0.000 0.376 432 K CA 2.214 58.545 56.287 0.072 0.000 1.927 432 K CB -2.184 30.382 32.500 0.110 0.000 0.613 432 K HN 0.141 nan 8.250 nan 0.000 0.386 433 T N -1.690 112.938 114.554 0.125 0.000 6.387 433 T HA -0.175 4.175 4.350 -0.000 0.000 0.290 433 T C 0.524 175.270 174.700 0.077 0.000 1.901 433 T CA 1.330 63.492 62.100 0.104 0.000 3.035 433 T CB -2.295 66.616 68.868 0.070 0.000 1.917 433 T HN 1.102 nan 8.240 nan 0.000 1.121 434 G N 1.334 110.182 108.800 0.080 0.000 2.821 434 G HA2 0.438 4.398 3.960 -0.000 0.000 0.289 434 G HA3 0.438 4.398 3.960 -0.000 0.000 0.289 434 G C 0.538 175.463 174.900 0.043 0.000 0.771 434 G CA 0.815 45.947 45.100 0.054 0.000 1.908 434 G HN 0.992 nan 8.290 nan 0.000 0.539 435 Q N -0.015 119.805 119.800 0.033 0.000 7.327 435 Q HA -0.223 4.117 4.340 -0.000 0.000 0.345 435 Q C 0.325 176.333 176.000 0.014 0.000 1.460 435 Q CA 1.546 57.358 55.803 0.017 0.000 0.500 435 Q CB -1.323 27.418 28.738 0.006 0.000 0.163 435 Q HN 0.504 nan 8.270 nan 0.000 0.836 436 E N 0.396 120.601 120.200 0.009 0.000 3.575 436 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 436 E C -0.377 176.224 176.600 0.002 0.000 1.230 436 E CA 0.363 56.760 56.400 -0.004 0.000 1.875 436 E CB 0.399 30.071 29.700 -0.047 0.000 1.961 436 E HN 0.628 nan 8.360 nan 0.000 0.904 437 N N 1.400 120.053 118.700 -0.079 0.000 2.762 437 N HA 0.199 4.939 4.740 -0.000 0.000 0.252 437 N C 0.620 176.169 175.510 0.064 0.000 1.269 437 N CA 0.089 53.048 53.050 -0.152 0.000 0.799 437 N CB 1.746 39.657 38.487 -0.960 0.000 1.173 437 N HN 0.095 nan 8.380 nan 0.000 0.516 438 G N 0.910 109.882 108.800 0.287 0.000 2.511 438 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 438 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 438 G C 0.054 175.189 174.900 0.392 0.000 1.218 438 G CA 0.051 45.297 45.100 0.243 0.000 0.788 438 G HN 0.733 nan 8.290 nan 0.000 0.560 439 W N 0.310 121.613 121.300 0.005 0.000 3.126 439 W HA -0.137 4.523 4.660 -0.000 0.000 0.450 439 W C 0.236 176.758 176.519 0.005 0.000 1.830 439 W CA 0.425 57.773 57.345 0.005 0.000 0.470 439 W CB -0.752 28.710 29.460 0.004 0.000 2.862 439 W HN 0.460 nan 8.180 nan 0.000 0.440 440 E N 1.441 121.654 120.200 0.022 0.000 4.161 440 E HA 0.303 4.653 4.350 -0.000 0.000 0.171 440 E C -0.253 176.297 176.600 -0.083 0.000 1.256 440 E CA -0.279 56.121 56.400 0.000 0.000 0.777 440 E CB 1.097 30.814 29.700 0.029 0.000 2.798 440 E HN 0.311 nan 8.360 nan 0.000 0.642 441 K N 0.484 120.843 120.400 -0.067 0.000 3.073 441 K HA 0.457 4.777 4.320 -0.000 0.000 0.300 441 K C -1.385 175.187 176.600 -0.046 0.000 1.082 441 K CA -0.664 55.574 56.287 -0.081 0.000 0.803 441 K CB 1.245 33.702 32.500 -0.071 0.000 1.488 441 K HN 0.231 nan 8.250 nan 0.000 0.372 442 D N -0.934 119.442 120.400 -0.040 0.000 2.689 442 D HA 0.820 5.460 4.640 -0.000 0.000 0.255 442 D C -1.374 174.927 176.300 0.002 0.000 1.113 442 D CA -0.273 53.723 54.000 -0.006 0.000 1.115 442 D CB 2.335 43.140 40.800 0.008 0.000 1.334 442 D HN 0.825 nan 8.370 nan 0.000 0.621 447 S N 2.408 117.800 115.700 -0.513 0.000 2.400 447 S HA 0.455 4.925 4.470 -0.000 0.000 0.295 447 S C -0.174 174.249 174.600 -0.294 0.000 1.113 447 S CA -0.191 57.661 58.200 -0.580 0.000 1.064 447 S CB 0.493 63.471 63.200 -0.370 0.000 0.990 447 S HN 0.357 nan 8.310 nan 0.000 0.502 448 D N 2.898 123.135 120.400 -0.272 0.000 2.231 448 D HA 0.210 4.850 4.640 -0.000 0.000 0.287 448 D C 0.542 176.772 176.300 -0.117 0.000 1.160 448 D CA -0.311 53.598 54.000 -0.151 0.000 1.089 448 D CB 0.075 40.804 40.800 -0.118 0.000 1.158 448 D HN 0.717 nan 8.370 nan 0.000 0.494 449 K N 0.186 120.535 120.400 -0.085 0.000 2.457 449 K HA -0.099 4.221 4.320 -0.000 0.000 0.269 449 K C -0.811 175.749 176.600 -0.066 0.000 0.969 449 K CA 0.705 56.956 56.287 -0.060 0.000 0.921 449 K CB 0.118 32.594 32.500 -0.040 0.000 0.940 449 K HN 0.362 nan 8.250 nan 0.000 0.517 450 N N 0.943 119.616 118.700 -0.045 0.000 2.471 450 N HA 0.049 4.789 4.740 -0.000 0.000 0.264 450 N C -1.719 173.780 175.510 -0.019 0.000 1.493 450 N CA -0.325 52.701 53.050 -0.040 0.000 0.932 450 N CB 0.586 39.043 38.487 -0.050 0.000 1.405 450 N HN 0.533 nan 8.380 nan 0.000 0.505 451 E N 0.867 121.065 120.200 -0.004 0.000 3.142 451 E HA -0.102 4.248 4.350 -0.000 0.000 0.276 451 E C -0.213 176.390 176.600 0.005 0.000 0.887 451 E CA 0.989 57.394 56.400 0.008 0.000 0.975 451 E CB 0.903 30.623 29.700 0.034 0.000 0.937 451 E HN 0.375 nan 8.360 nan 0.000 0.516 452 I N 1.177 121.744 120.570 -0.005 0.000 3.673 452 I HA 0.486 4.656 4.170 -0.000 0.000 0.294 452 I C -1.291 174.803 176.117 -0.038 0.000 1.163 452 I CA -1.000 60.289 61.300 -0.018 0.000 1.138 452 I CB 1.912 39.898 38.000 -0.022 0.000 1.348 452 I HN 0.407 nan 8.210 nan 0.000 0.455 453 R N 1.003 121.473 120.500 -0.050 0.000 2.536 453 R HA 0.586 4.926 4.340 -0.000 0.000 0.269 453 R C -2.239 174.033 176.300 -0.046 0.000 1.113 453 R CA -0.521 55.532 56.100 -0.078 0.000 0.948 453 R CB 1.307 31.520 30.300 -0.144 0.000 1.237 453 R HN 0.298 nan 8.270 nan 0.000 0.441 454 V N 2.716 122.614 119.914 -0.027 0.000 2.481 454 V HA 0.935 5.055 4.120 -0.000 0.000 0.286 454 V C 1.104 177.208 176.094 0.016 0.000 1.042 454 V CA 0.162 62.460 62.300 -0.003 0.000 0.928 454 V CB 0.429 32.256 31.823 0.006 0.000 0.986 454 V HN 1.203 nan 8.190 nan 0.000 0.462 455 G N 3.385 112.194 108.800 0.016 0.000 2.593 455 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 455 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 455 G C 0.123 175.045 174.900 0.037 0.000 1.312 455 G CA 0.261 45.377 45.100 0.026 0.000 0.896 455 G HN 1.102 nan 8.290 nan 0.000 0.574 456 N N 0.090 118.817 118.700 0.045 0.000 2.116 456 N HA -0.047 4.693 4.740 -0.000 0.000 0.207 456 N C 1.176 176.745 175.510 0.099 0.000 1.370 456 N CA 1.075 54.158 53.050 0.054 0.000 0.849 456 N CB -0.382 38.128 38.487 0.038 0.000 0.996 456 N HN 0.709 nan 8.380 nan 0.000 0.421 457 N N -1.181 117.588 118.700 0.114 0.000 2.294 457 N HA 0.213 4.953 4.740 -0.000 0.000 0.275 457 N C -0.741 174.966 175.510 0.328 0.000 1.291 457 N CA 0.234 53.399 53.050 0.191 0.000 0.933 457 N CB 0.117 38.734 38.487 0.218 0.000 1.096 457 N HN 0.357 nan 8.380 nan 0.000 0.525 458 F N 0.144 120.141 119.950 0.078 0.000 2.686 458 F HA 0.641 5.168 4.527 -0.000 0.000 0.365 458 F C -0.313 175.490 175.800 0.005 0.000 1.196 458 F CA -0.497 57.525 58.000 0.037 0.000 1.198 458 F CB 0.014 39.041 39.000 0.046 0.000 1.454 458 F HN 0.447 nan 8.300 nan 0.000 0.539 459 A N 3.087 125.827 122.820 -0.134 0.000 2.470 459 A HA 1.020 5.340 4.320 -0.000 0.000 0.271 459 A C -1.177 176.251 177.584 -0.261 0.000 1.269 459 A CA -0.847 51.041 52.037 -0.249 0.000 0.828 459 A CB 1.554 20.321 19.000 -0.389 0.000 1.374 459 A HN 0.429 nan 8.150 nan 0.000 0.454 460 M N 0.230 119.698 119.600 -0.220 0.000 2.457 460 M HA 0.295 4.775 4.480 -0.000 0.000 0.186 460 M C -0.644 175.575 176.300 -0.136 0.000 0.962 460 M CA -0.281 54.912 55.300 -0.179 0.000 0.909 460 M CB 0.924 33.415 32.600 -0.183 0.000 2.798 460 M HN 0.607 nan 8.290 nan 0.000 0.412 461 E N 1.886 122.029 120.200 -0.096 0.000 2.651 461 E HA 0.295 4.645 4.350 -0.000 0.000 0.272 461 E C 0.093 176.632 176.600 -0.103 0.000 1.382 461 E CA 0.893 57.259 56.400 -0.057 0.000 1.231 461 E CB 0.727 30.411 29.700 -0.027 0.000 0.989 461 E HN 0.748 nan 8.360 nan 0.000 0.504 462 I N -1.307 119.209 120.570 -0.090 0.000 1.557 462 I HA -0.051 4.119 4.170 -0.000 0.000 0.310 462 I C -1.869 174.197 176.117 -0.085 0.000 3.199 462 I CA -0.156 61.071 61.300 -0.122 0.000 1.060 462 I CB 0.406 38.309 38.000 -0.161 0.000 2.582 462 I HN 0.588 nan 8.210 nan 0.000 0.696 463 N N 1.185 119.833 118.700 -0.087 0.000 2.905 463 N HA 0.313 5.053 4.740 -0.000 0.000 0.255 463 N C -0.098 175.371 175.510 -0.068 0.000 1.199 463 N CA 0.102 53.108 53.050 -0.073 0.000 0.911 463 N CB 1.308 39.764 38.487 -0.052 0.000 1.550 463 N HN 0.679 nan 8.380 nan 0.000 0.599 464 L N 2.066 123.244 121.223 -0.074 0.000 2.156 464 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 464 L C 1.463 178.301 176.870 -0.053 0.000 1.095 464 L CA 1.020 55.825 54.840 -0.060 0.000 0.770 464 L CB -0.398 41.624 42.059 -0.061 0.000 0.914 464 L HN 0.251 nan 8.230 nan 0.000 0.439 465 N N 1.524 120.179 118.700 -0.075 0.000 2.018 465 N HA -0.213 4.527 4.740 -0.000 0.000 0.196 465 N C 1.991 177.422 175.510 -0.131 0.000 1.043 465 N CA 2.314 55.301 53.050 -0.105 0.000 0.856 465 N CB -0.577 37.832 38.487 -0.130 0.000 1.042 465 N HN 0.574 nan 8.380 nan 0.000 0.423 466 A N 0.555 123.306 122.820 -0.114 0.000 1.855 466 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 466 A C 2.133 179.714 177.584 -0.004 0.000 1.191 466 A CA 1.698 53.669 52.037 -0.110 0.000 0.613 466 A CB -0.885 18.076 19.000 -0.065 0.000 0.829 466 A HN 0.329 nan 8.150 nan 0.000 0.442 467 N N 0.723 119.441 118.700 0.030 0.000 2.069 467 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 467 N C 1.706 177.264 175.510 0.080 0.000 1.031 467 N CA 1.811 54.901 53.050 0.066 0.000 0.852 467 N CB -0.719 37.792 38.487 0.039 0.000 1.018 467 N HN 0.513 nan 8.380 nan 0.000 0.423 468 L N -1.493 119.763 121.223 0.054 0.000 2.386 468 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 468 L C 2.121 178.958 176.870 -0.054 0.000 1.115 468 L CA 1.488 56.335 54.840 0.012 0.000 0.780 468 L CB -0.784 41.284 42.059 0.016 0.000 0.902 468 L HN 0.249 nan 8.230 nan 0.000 0.442 469 W N 0.634 121.779 121.300 -0.258 0.000 2.501 469 W HA -0.012 4.648 4.660 -0.000 0.000 0.309 469 W C 2.708 179.203 176.519 -0.041 0.000 1.165 469 W CA 0.652 57.843 57.345 -0.257 0.000 1.381 469 W CB -0.090 29.266 29.460 -0.173 0.000 1.142 469 W HN 0.098 nan 8.180 nan 0.000 0.509 470 R N 1.134 121.768 120.500 0.223 0.000 2.388 470 R HA -0.202 4.138 4.340 -0.000 0.000 0.233 470 R C 1.328 177.701 176.300 0.122 0.000 1.156 470 R CA 1.125 57.336 56.100 0.185 0.000 1.036 470 R CB -0.250 30.155 30.300 0.174 0.000 0.847 470 R HN 0.183 nan 8.270 nan 0.000 0.483 471 N N -0.459 118.277 118.700 0.061 0.000 2.220 471 N HA -0.081 4.659 4.740 -0.000 0.000 0.182 471 N C 1.289 176.877 175.510 0.130 0.000 1.023 471 N CA 0.897 53.957 53.050 0.016 0.000 0.856 471 N CB -0.357 38.145 38.487 0.024 0.000 0.997 471 N HN 0.035 nan 8.380 nan 0.000 0.429 472 F N 2.142 121.996 119.950 -0.160 0.000 2.010 472 F HA -0.091 4.436 4.527 -0.000 0.000 0.296 472 F C 2.190 177.909 175.800 -0.135 0.000 1.146 472 F CA 0.827 58.673 58.000 -0.255 0.000 1.181 472 F CB -1.167 37.514 39.000 -0.532 0.000 0.965 472 F HN -0.076 nan 8.300 nan 0.000 0.480 473 L N -1.134 120.181 121.223 0.152 0.000 1.900 473 L HA -0.304 4.036 4.340 -0.000 0.000 0.230 473 L C 2.242 179.216 176.870 0.173 0.000 1.089 473 L CA 1.871 56.796 54.840 0.142 0.000 0.807 473 L CB -1.835 40.330 42.059 0.175 0.000 0.895 473 L HN 0.191 nan 8.230 nan 0.000 0.430 474 Y N 1.811 122.127 120.300 0.026 0.000 1.782 474 Y HA -0.512 4.038 4.550 -0.000 0.000 0.187 474 Y C 2.871 178.736 175.900 -0.058 0.000 1.078 474 Y CA 2.566 60.658 58.100 -0.012 0.000 0.905 474 Y CB -0.633 37.828 38.460 0.001 0.000 0.749 474 Y HN 0.447 nan 8.280 nan 0.000 0.580 475 S N 0.114 116.076 115.700 0.436 0.000 2.751 475 S HA -0.145 4.325 4.470 -0.000 0.000 0.248 475 S C 0.509 175.145 174.600 0.060 0.000 0.979 475 S CA 1.323 59.645 58.200 0.202 0.000 0.987 475 S CB -1.029 62.217 63.200 0.078 0.000 0.777 475 S HN 0.692 nan 8.310 nan 0.000 0.544 476 N N -0.783 117.930 118.700 0.023 0.000 2.067 476 N HA 0.248 4.988 4.740 -0.000 0.000 0.227 476 N C 0.087 175.639 175.510 0.070 0.000 1.348 476 N CA 0.730 53.830 53.050 0.084 0.000 0.879 476 N CB 0.776 39.327 38.487 0.106 0.000 1.109 476 N HN 0.494 nan 8.380 nan 0.000 0.501 477 I N -2.134 118.391 120.570 -0.074 0.000 4.239 477 I HA 0.286 4.456 4.170 -0.000 0.000 0.282 477 I C 1.202 177.245 176.117 -0.124 0.000 1.112 477 I CA -0.125 61.169 61.300 -0.010 0.000 1.324 477 I CB -0.550 37.483 38.000 0.054 0.000 1.786 477 I HN -0.222 nan 8.210 nan 0.000 0.427 478 A N 1.513 124.217 122.820 -0.193 0.000 1.992 478 A HA 0.349 4.669 4.320 -0.000 0.000 0.203 478 A C 1.155 178.508 177.584 -0.384 0.000 1.420 478 A CA 1.582 53.404 52.037 -0.359 0.000 1.302 478 A CB -1.403 17.179 19.000 -0.696 0.000 0.726 478 A HN 0.612 nan 8.150 nan 0.000 0.565 479 L N -4.972 116.097 121.223 -0.258 0.000 1.906 479 L HA 0.154 4.494 4.340 -0.000 0.000 0.169 479 L C 1.300 178.134 176.870 -0.059 0.000 1.261 479 L CA -0.356 54.359 54.840 -0.208 0.000 1.110 479 L CB -0.312 41.586 42.059 -0.269 0.000 2.318 479 L HN 0.224 nan 8.230 nan 0.000 0.489 480 Y N 3.372 123.655 120.300 -0.028 0.000 2.715 480 Y HA 0.110 4.660 4.550 -0.000 0.000 0.332 480 Y C 0.386 176.265 175.900 -0.034 0.000 1.213 480 Y CA -0.262 57.825 58.100 -0.022 0.000 1.304 480 Y CB -0.452 38.002 38.460 -0.010 0.000 1.041 480 Y HN 0.054 nan 8.280 nan 0.000 0.502 481 L N 1.390 122.657 121.223 0.073 0.000 2.307 481 L HA 0.354 4.694 4.340 -0.000 0.000 0.282 481 L C -2.006 174.872 176.870 0.013 0.000 1.051 481 L CA -2.421 52.437 54.840 0.030 0.000 0.804 481 L CB 0.522 42.575 42.059 -0.011 0.000 1.197 481 L HN -0.118 nan 8.230 nan 0.000 0.431 482 P HA -0.184 nan 4.420 nan 0.000 0.273 482 P C -0.512 176.789 177.300 0.002 0.000 1.177 482 P CA 0.610 63.722 63.100 0.019 0.000 0.765 482 P CB 0.475 32.192 31.700 0.027 0.000 0.780 483 D N 0.197 120.604 120.400 0.011 0.000 2.395 483 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 483 D C 1.505 177.813 176.300 0.013 0.000 1.146 483 D CA 0.093 54.097 54.000 0.007 0.000 0.830 483 D CB -0.070 40.753 40.800 0.040 0.000 0.958 483 D HN 0.359 nan 8.370 nan 0.000 0.501 484 K N 0.383 120.788 120.400 0.009 0.000 2.067 484 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 484 K C 1.133 177.737 176.600 0.007 0.000 1.048 484 K CA 0.841 57.134 56.287 0.009 0.000 0.954 484 K CB 0.104 32.606 32.500 0.004 0.000 0.737 484 K HN 0.201 nan 8.250 nan 0.000 0.444 485 L N 0.243 121.466 121.223 0.001 0.000 2.653 485 L HA 0.374 4.714 4.340 -0.000 0.000 0.231 485 L C 0.135 177.015 176.870 0.018 0.000 1.153 485 L CA -0.348 54.503 54.840 0.018 0.000 0.933 485 L CB 0.104 42.164 42.059 0.002 0.000 1.175 485 L HN -0.131 nan 8.230 nan 0.000 0.473 486 K N 0.523 120.884 120.400 -0.066 0.000 2.110 486 K HA 0.517 4.837 4.320 -0.000 0.000 0.263 486 K C -0.881 175.598 176.600 -0.201 0.000 0.975 486 K CA -0.602 55.521 56.287 -0.274 0.000 0.895 486 K CB 1.425 33.786 32.500 -0.232 0.000 1.060 486 K HN 0.081 nan 8.250 nan 0.000 0.448 487 Y N -1.851 118.380 120.300 -0.113 0.000 3.345 487 Y HA 0.521 5.071 4.550 -0.000 0.000 0.279 487 Y C -0.418 175.388 175.900 -0.156 0.000 1.980 487 Y CA -1.165 56.863 58.100 -0.120 0.000 0.912 487 Y CB 0.608 39.003 38.460 -0.108 0.000 1.460 487 Y HN 0.284 nan 8.280 nan 0.000 0.605 488 S N 1.715 117.552 115.700 0.228 0.000 2.356 488 S HA 0.337 4.807 4.470 -0.000 0.000 0.171 488 S C -2.503 172.149 174.600 0.088 0.000 1.399 488 S CA -0.971 57.264 58.200 0.059 0.000 1.225 488 S CB 0.301 63.483 63.200 -0.030 0.000 1.271 488 S HN 0.594 nan 8.310 nan 0.000 0.427 489 P HA 0.127 nan 4.420 nan 0.000 0.317 489 P C 0.449 177.718 177.300 -0.052 0.000 1.427 489 P CA -0.246 62.864 63.100 0.016 0.000 0.820 489 P CB -0.058 31.656 31.700 0.024 0.000 1.894 490 S N 0.344 115.971 115.700 -0.121 0.000 2.552 490 S HA -0.005 4.465 4.470 -0.000 0.000 0.289 490 S C 0.468 175.039 174.600 -0.048 0.000 1.304 490 S CA -0.261 57.873 58.200 -0.109 0.000 1.063 490 S CB -1.126 61.943 63.200 -0.219 0.000 0.848 490 S HN 0.240 nan 8.310 nan 0.000 0.499 491 N N 2.236 120.926 118.700 -0.016 0.000 2.030 491 N HA -0.051 4.689 4.740 -0.000 0.000 0.292 491 N C -0.132 175.377 175.510 -0.001 0.000 1.315 491 N CA 0.495 53.543 53.050 -0.003 0.000 0.810 491 N CB -0.058 38.436 38.487 0.011 0.000 1.048 491 N HN 0.327 nan 8.380 nan 0.000 0.492 492 V N 2.273 122.183 119.914 -0.007 0.000 3.189 492 V HA 0.504 4.624 4.120 -0.000 0.000 0.312 492 V C -0.561 175.531 176.094 -0.003 0.000 1.452 492 V CA -0.870 61.427 62.300 -0.006 0.000 1.006 492 V CB 1.831 33.640 31.823 -0.023 0.000 1.083 492 V HN 0.503 nan 8.190 nan 0.000 0.481 493 K N 0.516 120.914 120.400 -0.003 0.000 2.896 493 K HA 0.445 4.765 4.320 -0.000 0.000 0.228 493 K C 0.005 176.611 176.600 0.011 0.000 1.151 493 K CA -0.203 56.089 56.287 0.009 0.000 1.035 493 K CB 1.937 34.447 32.500 0.017 0.000 1.263 493 K HN 0.534 nan 8.250 nan 0.000 0.574 494 I N 0.478 121.049 120.570 0.001 0.000 2.055 494 I HA -0.252 3.918 4.170 -0.000 0.000 0.228 494 I C 0.867 177.054 176.117 0.117 0.000 1.050 494 I CA 1.690 62.995 61.300 0.008 0.000 1.326 494 I CB 0.271 38.197 38.000 -0.123 0.000 1.077 494 I HN 0.690 nan 8.210 nan 0.000 0.392 495 S N -2.084 113.732 115.700 0.194 0.000 3.067 495 S HA -0.022 4.448 4.470 -0.000 0.000 0.289 495 S C -0.936 173.772 174.600 0.179 0.000 1.228 495 S CA 0.043 58.349 58.200 0.178 0.000 1.557 495 S CB -0.599 62.701 63.200 0.167 0.000 1.282 495 S HN 0.383 nan 8.310 nan 0.000 0.359 496 D N 0.434 120.871 120.400 0.060 0.000 2.480 496 D HA 0.410 5.050 4.640 -0.000 0.000 0.243 496 D C -0.544 175.623 176.300 -0.222 0.000 1.120 496 D CA 0.101 54.080 54.000 -0.035 0.000 0.835 496 D CB 0.267 41.058 40.800 -0.016 0.000 1.204 496 D HN 0.256 nan 8.370 nan 0.000 0.513 497 N N 0.640 119.190 118.700 -0.251 0.000 2.425 497 N HA 0.257 4.997 4.740 -0.000 0.000 0.268 497 N C -2.161 173.013 175.510 -0.560 0.000 0.991 497 N CA -1.517 51.342 53.050 -0.318 0.000 0.931 497 N CB 2.253 40.664 38.487 -0.127 0.000 1.130 497 N HN -0.135 nan 8.380 nan 0.000 0.493 498 P HA 0.118 nan 4.420 nan 0.000 0.249 498 P C -0.272 176.987 177.300 -0.070 0.000 1.229 498 P CA 0.604 63.444 63.100 -0.434 0.000 0.788 498 P CB 0.424 31.935 31.700 -0.316 0.000 1.072 499 N N -1.502 117.162 118.700 -0.060 0.000 2.177 499 N HA 0.042 4.782 4.740 -0.000 0.000 0.218 499 N C 0.174 175.710 175.510 0.043 0.000 1.182 499 N CA 0.307 53.362 53.050 0.008 0.000 0.882 499 N CB 0.793 39.272 38.487 -0.013 0.000 1.052 499 N HN -0.050 nan 8.380 nan 0.000 0.519 500 T N 0.058 114.652 114.554 0.067 0.000 3.393 500 T HA 0.155 4.505 4.350 -0.000 0.000 0.255 500 T C 0.082 174.910 174.700 0.213 0.000 1.008 500 T CA -0.430 61.731 62.100 0.101 0.000 1.053 500 T CB -0.383 68.517 68.868 0.054 0.000 1.120 500 T HN 0.210 nan 8.240 nan 0.000 0.538 501 Y N 1.458 121.776 120.300 0.030 0.000 2.716 501 Y HA -0.422 4.128 4.550 -0.000 0.000 0.483 501 Y C 1.189 177.104 175.900 0.026 0.000 1.075 501 Y CA 2.750 60.861 58.100 0.018 0.000 2.997 501 Y CB -1.290 37.168 38.460 -0.003 0.000 0.987 501 Y HN 0.643 nan 8.280 nan 0.000 0.578 502 D N -0.124 120.400 120.400 0.206 0.000 2.417 502 D HA -0.143 4.497 4.640 -0.000 0.000 0.253 502 D C 0.497 176.885 176.300 0.147 0.000 1.171 502 D CA 1.796 55.864 54.000 0.114 0.000 0.984 502 D CB -0.942 39.925 40.800 0.112 0.000 0.893 502 D HN 0.658 nan 8.370 nan 0.000 0.516 503 Y N -1.945 118.336 120.300 -0.032 0.000 3.358 503 Y HA 0.151 4.701 4.550 -0.000 0.000 0.266 503 Y C 0.297 176.165 175.900 -0.053 0.000 0.965 503 Y CA -0.384 57.691 58.100 -0.041 0.000 1.276 503 Y CB -0.162 38.289 38.460 -0.015 0.000 1.292 503 Y HN 0.020 nan 8.280 nan 0.000 0.667 504 M N -0.920 118.718 119.600 0.064 0.000 1.943 504 M HA 0.107 4.587 4.480 -0.000 0.000 0.186 504 M C 1.327 177.558 176.300 -0.116 0.000 1.568 504 M CA 0.780 56.092 55.300 0.019 0.000 0.920 504 M CB 0.106 32.751 32.600 0.075 0.000 1.543 504 M HN 0.181 nan 8.290 nan 0.000 0.584 505 N N 0.919 119.446 118.700 -0.288 0.000 2.467 505 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 505 N C 1.075 176.406 175.510 -0.298 0.000 1.106 505 N CA 1.107 53.928 53.050 -0.382 0.000 0.892 505 N CB 0.244 38.203 38.487 -0.881 0.000 0.969 505 N HN 0.091 nan 8.380 nan 0.000 0.454 506 K N 0.453 120.695 120.400 -0.262 0.000 2.141 506 K HA 0.105 4.425 4.320 -0.000 0.000 0.202 506 K C 0.440 176.898 176.600 -0.237 0.000 1.045 506 K CA 0.196 56.350 56.287 -0.222 0.000 0.971 506 K CB -0.440 31.940 32.500 -0.201 0.000 0.795 506 K HN 0.114 nan 8.250 nan 0.000 0.459 507 R N 2.546 122.884 120.500 -0.271 0.000 3.110 507 R HA -0.027 4.313 4.340 -0.000 0.000 0.347 507 R C -0.183 175.883 176.300 -0.390 0.000 0.931 507 R CA 0.062 55.953 56.100 -0.349 0.000 1.003 507 R CB -0.613 29.517 30.300 -0.284 0.000 0.955 507 R HN -0.070 nan 8.270 nan 0.000 0.405 508 V N 4.456 124.110 119.914 -0.434 0.000 2.775 508 V HA 0.255 4.375 4.120 -0.000 0.000 0.299 508 V C -0.254 175.391 176.094 -0.749 0.000 1.062 508 V CA -0.167 61.882 62.300 -0.418 0.000 1.063 508 V CB 1.725 33.412 31.823 -0.228 0.000 0.994 508 V HN 0.393 nan 8.190 nan 0.000 0.483 509 V N 6.461 126.117 119.914 -0.431 0.000 2.876 509 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 509 V C 0.328 176.368 176.094 -0.090 0.000 1.085 509 V CA -0.234 61.872 62.300 -0.323 0.000 0.945 509 V CB 1.812 33.472 31.823 -0.271 0.000 1.017 509 V HN 1.488 nan 8.190 nan 0.000 0.428 510 A N 6.990 129.850 122.820 0.067 0.000 2.475 510 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 510 A C -1.783 175.731 177.584 -0.116 0.000 1.087 510 A CA -0.009 52.021 52.037 -0.012 0.000 0.779 510 A CB -0.114 18.860 19.000 -0.044 0.000 1.036 510 A HN 0.840 nan 8.150 nan 0.000 0.506 511 P HA 0.112 nan 4.420 nan 0.000 0.260 511 P C 1.258 178.530 177.300 -0.046 0.000 1.222 511 P CA 0.931 63.981 63.100 -0.083 0.000 0.843 511 P CB 0.108 31.907 31.700 0.166 0.000 1.159 512 G N 1.084 109.858 108.800 -0.042 0.000 2.564 512 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 512 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 512 G C 1.258 176.102 174.900 -0.093 0.000 1.124 512 G CA 0.649 45.720 45.100 -0.048 0.000 0.764 512 G HN 0.290 nan 8.290 nan 0.000 0.550 513 L N -0.868 120.295 121.223 -0.100 0.000 2.051 513 L HA 0.250 4.590 4.340 -0.000 0.000 0.202 513 L C 1.378 178.187 176.870 -0.103 0.000 1.097 513 L CA 0.116 54.897 54.840 -0.098 0.000 0.762 513 L CB -1.065 40.938 42.059 -0.093 0.000 0.913 513 L HN -0.178 nan 8.230 nan 0.000 0.447 514 V N 2.226 122.077 119.914 -0.104 0.000 2.242 514 V HA -0.012 4.108 4.120 -0.000 0.000 0.242 514 V C 0.017 176.100 176.094 -0.017 0.000 1.240 514 V CA 0.155 62.418 62.300 -0.062 0.000 1.211 514 V CB -0.926 30.845 31.823 -0.087 0.000 1.338 514 V HN 0.441 nan 8.190 nan 0.000 0.499 515 D N 2.554 122.912 120.400 -0.071 0.000 2.162 515 D HA 0.068 4.708 4.640 -0.000 0.000 0.252 515 D C 1.191 177.514 176.300 0.039 0.000 1.095 515 D CA 1.290 55.248 54.000 -0.070 0.000 0.928 515 D CB -0.067 40.512 40.800 -0.369 0.000 0.989 515 D HN 0.599 nan 8.370 nan 0.000 0.401 516 C N -3.088 116.224 119.300 0.019 0.000 4.290 516 C HA 0.070 4.530 4.460 -0.000 0.000 0.358 516 C C 0.392 175.466 174.990 0.139 0.000 2.869 516 C CA -0.569 58.519 59.018 0.116 0.000 1.566 516 C CB -1.928 25.906 27.740 0.156 0.000 1.872 516 C HN 0.570 nan 8.230 nan 0.000 0.370 517 Y N 1.173 121.504 120.300 0.052 0.000 2.636 517 Y HA 0.787 5.337 4.550 -0.000 0.000 0.260 517 Y C -0.032 175.881 175.900 0.022 0.000 1.177 517 Y CA -1.992 56.124 58.100 0.027 0.000 1.209 517 Y CB -0.228 38.245 38.460 0.022 0.000 1.166 517 Y HN 0.371 nan 8.280 nan 0.000 0.531 518 I N 1.786 122.416 120.570 0.101 0.000 2.441 518 I HA 0.240 4.410 4.170 -0.000 0.000 0.295 518 I C -0.082 176.063 176.117 0.047 0.000 0.994 518 I CA -1.002 60.342 61.300 0.074 0.000 1.144 518 I CB 1.420 39.411 38.000 -0.015 0.000 1.314 518 I HN 0.169 nan 8.210 nan 0.000 0.445 519 N N 4.131 122.838 118.700 0.012 0.000 2.814 519 N HA -0.148 4.592 4.740 -0.000 0.000 0.247 519 N C -1.067 174.470 175.510 0.044 0.000 1.089 519 N CA 0.424 53.470 53.050 -0.006 0.000 0.682 519 N CB -0.748 37.739 38.487 0.000 0.000 0.970 519 N HN 0.460 nan 8.380 nan 0.000 0.554 520 L N 0.458 121.706 121.223 0.042 0.000 2.328 520 L HA 0.494 4.834 4.340 -0.000 0.000 0.280 520 L C 1.244 178.134 176.870 0.034 0.000 1.111 520 L CA 0.576 55.448 54.840 0.052 0.000 0.909 520 L CB 0.806 42.892 42.059 0.046 0.000 1.277 520 L HN 0.350 nan 8.230 nan 0.000 0.433 521 G N 2.616 111.443 108.800 0.045 0.000 2.743 521 G HA2 0.426 4.386 3.960 -0.000 0.000 0.192 521 G HA3 0.426 4.386 3.960 -0.000 0.000 0.192 521 G C -0.224 174.700 174.900 0.040 0.000 1.077 521 G CA -0.330 44.790 45.100 0.033 0.000 0.956 521 G HN 1.023 nan 8.290 nan 0.000 0.556 522 A N 0.432 123.291 122.820 0.065 0.000 0.778 522 A HA 0.378 4.698 4.320 -0.000 0.000 0.207 522 A C 0.341 178.017 177.584 0.154 0.000 0.544 522 A CA -0.049 52.048 52.037 0.099 0.000 0.781 522 A CB -0.647 18.413 19.000 0.099 0.000 0.742 522 A HN 1.216 nan 8.150 nan 0.000 0.445 523 R N 0.925 121.503 120.500 0.130 0.000 2.547 523 R HA 0.178 4.518 4.340 -0.000 0.000 0.269 523 R C -0.174 176.280 176.300 0.257 0.000 0.968 523 R CA 1.340 57.526 56.100 0.143 0.000 1.101 523 R CB 0.334 30.680 30.300 0.076 0.000 0.898 523 R HN 0.989 nan 8.270 nan 0.000 0.416 524 W N 0.715 122.011 121.300 -0.007 0.000 3.546 524 W HA 0.076 4.736 4.660 -0.000 0.000 0.291 524 W C -1.678 174.821 176.519 -0.033 0.000 1.199 524 W CA -0.646 56.683 57.345 -0.026 0.000 1.159 524 W CB 1.221 30.668 29.460 -0.021 0.000 1.333 524 W HN 0.584 nan 8.180 nan 0.000 0.570 525 S N 4.871 120.675 115.700 0.174 0.000 2.779 525 S HA 0.481 4.951 4.470 -0.000 0.000 0.293 525 S C -0.132 174.594 174.600 0.210 0.000 1.150 525 S CA -0.789 57.522 58.200 0.185 0.000 1.057 525 S CB 1.652 64.827 63.200 -0.041 0.000 1.021 525 S HN 0.559 nan 8.310 nan 0.000 0.485 526 L N 2.116 123.599 121.223 0.434 0.000 2.627 526 L HA -0.223 4.117 4.340 -0.000 0.000 0.337 526 L C 0.971 177.934 176.870 0.155 0.000 1.327 526 L CA 1.287 56.362 54.840 0.392 0.000 0.832 526 L CB 0.186 42.366 42.059 0.202 0.000 1.020 526 L HN 0.899 nan 8.230 nan 0.000 0.603 527 D N -1.628 118.779 120.400 0.012 0.000 2.366 527 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 527 D C 0.976 177.116 176.300 -0.266 0.000 1.022 527 D CA 0.653 54.530 54.000 -0.205 0.000 0.868 527 D CB 0.045 40.675 40.800 -0.283 0.000 0.953 527 D HN 0.450 nan 8.370 nan 0.000 0.514 528 Y N 0.078 120.428 120.300 0.083 0.000 2.462 528 Y HA 0.299 4.849 4.550 -0.000 0.000 0.261 528 Y C 1.433 177.357 175.900 0.041 0.000 1.146 528 Y CA -0.172 57.963 58.100 0.058 0.000 1.283 528 Y CB 0.206 38.698 38.460 0.054 0.000 1.090 528 Y HN 0.017 nan 8.280 nan 0.000 0.526 529 M N -0.321 119.344 119.600 0.109 0.000 2.771 529 M HA 0.369 4.849 4.480 -0.000 0.000 0.341 529 M C -0.789 175.505 176.300 -0.010 0.000 1.226 529 M CA 0.272 55.610 55.300 0.064 0.000 0.955 529 M CB -0.091 32.556 32.600 0.080 0.000 1.318 529 M HN -0.152 nan 8.290 nan 0.000 0.514 530 D N -0.139 120.243 120.400 -0.030 0.000 2.479 530 D HA 0.228 4.868 4.640 -0.000 0.000 0.218 530 D C -0.215 176.096 176.300 0.018 0.000 1.177 530 D CA 0.120 54.062 54.000 -0.097 0.000 0.830 530 D CB 0.259 40.910 40.800 -0.249 0.000 1.014 530 D HN 0.320 nan 8.370 nan 0.000 0.503 531 N N 0.530 119.257 118.700 0.044 0.000 2.575 531 N HA 0.115 4.855 4.740 -0.000 0.000 0.275 531 N C -1.050 174.465 175.510 0.007 0.000 1.202 531 N CA 0.045 53.141 53.050 0.077 0.000 0.945 531 N CB 0.774 39.309 38.487 0.079 0.000 1.247 531 N HN -0.074 nan 8.380 nan 0.000 0.510 532 V N 0.424 120.303 119.914 -0.059 0.000 2.656 532 V HA 0.387 4.507 4.120 -0.000 0.000 0.307 532 V C -0.796 175.064 176.094 -0.389 0.000 1.051 532 V CA -1.046 61.154 62.300 -0.167 0.000 0.893 532 V CB 2.164 33.926 31.823 -0.101 0.000 0.999 532 V HN 0.279 nan 8.190 nan 0.000 0.426 533 N N 7.193 125.629 118.700 -0.440 0.000 2.699 533 N HA 0.420 5.160 4.740 -0.000 0.000 0.232 533 N C -2.277 173.085 175.510 -0.247 0.000 1.027 533 N CA -1.467 51.301 53.050 -0.469 0.000 0.920 533 N CB 1.663 39.886 38.487 -0.441 0.000 1.148 533 N HN 0.495 nan 8.380 nan 0.000 0.509 534 P HA 0.168 nan 4.420 nan 0.000 0.243 534 P C -0.522 176.358 177.300 -0.700 0.000 1.672 534 P CA -0.061 62.692 63.100 -0.579 0.000 1.000 534 P CB -0.523 30.804 31.700 -0.621 0.000 1.562 535 F N -1.025 118.789 119.950 -0.227 0.000 2.683 535 F HA 0.312 4.839 4.527 -0.000 0.000 0.306 535 F C 0.775 176.471 175.800 -0.174 0.000 1.102 535 F CA -0.476 57.491 58.000 -0.055 0.000 1.244 535 F CB -0.048 38.981 39.000 0.049 0.000 1.029 535 F HN -0.170 nan 8.300 nan 0.000 0.545 536 N N 0.747 119.315 118.700 -0.221 0.000 3.271 536 N HA 0.180 4.920 4.740 -0.000 0.000 0.303 536 N C -0.370 174.989 175.510 -0.251 0.000 1.415 536 N CA 0.049 52.950 53.050 -0.247 0.000 1.159 536 N CB -0.263 37.991 38.487 -0.389 0.000 1.432 536 N HN 0.413 nan 8.380 nan 0.000 0.521 537 H N -0.729 118.347 119.070 0.010 0.000 3.247 537 H HA 0.347 4.903 4.556 -0.000 0.000 0.262 537 H C 0.304 175.665 175.328 0.055 0.000 1.646 537 H CA -0.681 55.435 56.048 0.113 0.000 1.600 537 H CB 1.054 30.967 29.762 0.252 0.000 1.635 537 H HN 0.320 nan 8.280 nan 0.000 0.915 538 H N -1.138 117.974 119.070 0.070 0.000 3.124 538 H HA 0.364 4.920 4.556 -0.000 0.000 0.250 538 H C 0.208 175.424 175.328 -0.186 0.000 1.184 538 H CA -0.403 55.502 56.048 -0.238 0.000 1.013 538 H CB 0.405 30.188 29.762 0.035 0.000 1.891 538 H HN 0.299 nan 8.280 nan 0.000 0.687 539 R N 0.485 120.975 120.500 -0.017 0.000 2.569 539 R HA 0.179 4.519 4.340 -0.000 0.000 0.422 539 R C 0.007 176.337 176.300 0.050 0.000 0.980 539 R CA -0.100 55.932 56.100 -0.112 0.000 1.164 539 R CB 0.078 30.209 30.300 -0.281 0.000 1.520 539 R HN 0.202 nan 8.270 nan 0.000 0.567 540 N N 1.369 120.128 118.700 0.098 0.000 2.920 540 N HA 0.093 4.833 4.740 -0.000 0.000 0.310 540 N C -0.157 175.379 175.510 0.043 0.000 1.384 540 N CA 0.036 53.148 53.050 0.103 0.000 1.083 540 N CB 0.711 39.292 38.487 0.156 0.000 1.389 540 N HN 0.073 nan 8.380 nan 0.000 0.521 541 A N 0.348 123.194 122.820 0.043 0.000 3.052 541 A HA -0.006 4.314 4.320 -0.000 0.000 0.245 541 A C 1.301 179.010 177.584 0.209 0.000 2.095 541 A CA 1.231 53.325 52.037 0.095 0.000 1.818 541 A CB -1.171 17.847 19.000 0.031 0.000 0.639 541 A HN 0.574 nan 8.150 nan 0.000 0.640 542 G N -2.003 106.886 108.800 0.149 0.000 4.681 542 G HA2 0.217 4.177 3.960 -0.000 0.000 0.220 542 G HA3 0.217 4.177 3.960 -0.000 0.000 0.220 542 G C 0.190 175.072 174.900 -0.029 0.000 0.713 542 G CA 0.496 45.631 45.100 0.058 0.000 1.021 542 G HN 0.952 nan 8.290 nan 0.000 0.751 543 L N 0.146 121.360 121.223 -0.014 0.000 3.066 543 L HA 0.465 4.805 4.340 -0.000 0.000 0.272 543 L C 1.978 178.807 176.870 -0.068 0.000 1.101 543 L CA 1.729 56.554 54.840 -0.026 0.000 1.022 543 L CB 0.033 42.091 42.059 -0.002 0.000 1.600 543 L HN 0.203 nan 8.230 nan 0.000 0.559 544 R N -1.618 118.777 120.500 -0.174 0.000 2.191 544 R HA 0.076 4.416 4.340 -0.000 0.000 0.196 544 R C 1.615 177.828 176.300 -0.145 0.000 0.991 544 R CA 1.011 56.747 56.100 -0.606 0.000 1.075 544 R CB -1.207 28.571 30.300 -0.870 0.000 1.040 544 R HN 0.183 nan 8.270 nan 0.000 0.526 545 Y N 1.340 121.569 120.300 -0.120 0.000 2.471 545 Y HA 0.392 4.942 4.550 -0.000 0.000 0.286 545 Y C 0.766 176.677 175.900 0.020 0.000 1.188 545 Y CA -0.479 57.613 58.100 -0.012 0.000 1.286 545 Y CB 0.215 38.669 38.460 -0.009 0.000 1.072 545 Y HN -0.039 nan 8.280 nan 0.000 0.517 546 R N -0.490 119.951 120.500 -0.097 0.000 2.426 546 R HA 0.109 4.449 4.340 -0.000 0.000 0.263 546 R C 1.133 177.419 176.300 -0.022 0.000 0.961 546 R CA 0.710 56.726 56.100 -0.139 0.000 1.086 546 R CB 0.189 30.447 30.300 -0.070 0.000 1.186 546 R HN 0.220 nan 8.270 nan 0.000 0.537 547 S N -0.833 114.895 115.700 0.047 0.000 2.893 547 S HA 0.181 4.651 4.470 -0.000 0.000 0.258 547 S C 0.953 175.647 174.600 0.157 0.000 1.034 547 S CA -0.462 57.836 58.200 0.164 0.000 1.167 547 S CB 0.490 63.881 63.200 0.317 0.000 1.137 547 S HN 0.126 nan 8.310 nan 0.000 0.650 548 M N 1.087 120.730 119.600 0.072 0.000 2.356 548 M HA 0.401 4.881 4.480 -0.000 0.000 0.262 548 M C 0.673 176.989 176.300 0.027 0.000 1.097 548 M CA 0.268 55.643 55.300 0.125 0.000 0.991 548 M CB 0.490 33.276 32.600 0.310 0.000 1.450 548 M HN 0.393 nan 8.290 nan 0.000 0.495 549 L N -0.578 120.598 121.223 -0.079 0.000 3.135 549 L HA 0.304 4.644 4.340 -0.000 0.000 0.279 549 L C 0.709 177.592 176.870 0.020 0.000 1.200 549 L CA 0.261 55.064 54.840 -0.062 0.000 1.016 549 L CB 0.390 42.331 42.059 -0.198 0.000 1.391 549 L HN 0.040 nan 8.230 nan 0.000 0.588 550 L N -1.163 120.094 121.223 0.056 0.000 2.985 550 L HA 0.640 4.980 4.340 -0.000 0.000 0.177 550 L C 1.228 178.167 176.870 0.116 0.000 1.387 550 L CA 1.090 55.990 54.840 0.101 0.000 0.982 550 L CB -0.623 41.510 42.059 0.122 0.000 1.376 550 L HN 0.305 nan 8.230 nan 0.000 0.603 551 G N -1.497 107.389 108.800 0.144 0.000 3.198 551 G HA2 0.161 4.121 3.960 -0.000 0.000 0.166 551 G HA3 0.161 4.121 3.960 -0.000 0.000 0.166 551 G C -0.490 174.506 174.900 0.161 0.000 1.134 551 G CA 0.106 45.294 45.100 0.147 0.000 0.941 551 G HN 0.331 nan 8.290 nan 0.000 0.639 552 N N -0.380 118.432 118.700 0.187 0.000 2.815 552 N HA 0.373 5.113 4.740 -0.000 0.000 0.212 552 N C -0.310 175.305 175.510 0.176 0.000 1.306 552 N CA 0.621 53.751 53.050 0.134 0.000 1.744 552 N CB 0.292 38.823 38.487 0.074 0.000 1.438 552 N HN 1.509 nan 8.380 nan 0.000 0.632 553 G N 0.876 109.927 108.800 0.419 0.000 2.329 553 G HA2 0.017 3.977 3.960 -0.000 0.000 0.308 553 G HA3 0.017 3.977 3.960 -0.000 0.000 0.308 553 G C 0.189 175.180 174.900 0.151 0.000 1.587 553 G CA -0.672 44.631 45.100 0.339 0.000 0.978 553 G HN 0.091 nan 8.290 nan 0.000 0.685 554 R N -0.676 119.854 120.500 0.050 0.000 2.259 554 R HA -0.232 4.108 4.340 -0.000 0.000 0.247 554 R C 0.490 176.806 176.300 0.026 0.000 1.114 554 R CA 2.090 58.119 56.100 -0.118 0.000 0.926 554 R CB -0.353 29.781 30.300 -0.276 0.000 0.937 554 R HN 0.486 nan 8.270 nan 0.000 0.434 555 Y N 0.181 120.478 120.300 -0.005 0.000 2.724 555 Y HA 0.190 4.740 4.550 -0.000 0.000 0.332 555 Y C -0.407 175.507 175.900 0.022 0.000 1.276 555 Y CA -0.800 57.303 58.100 0.005 0.000 1.597 555 Y CB 0.597 39.063 38.460 0.010 0.000 1.584 555 Y HN -0.175 nan 8.280 nan 0.000 0.478 556 V N 4.577 124.605 119.914 0.189 0.000 2.204 556 V HA 0.239 4.359 4.120 -0.000 0.000 0.264 556 V C -2.100 174.094 176.094 0.167 0.000 1.106 556 V CA -2.062 60.322 62.300 0.140 0.000 0.947 556 V CB 0.373 32.262 31.823 0.109 0.000 1.164 556 V HN 0.391 nan 8.190 nan 0.000 0.461 557 P HA -0.015 nan 4.420 nan 0.000 0.253 557 P C 0.313 177.655 177.300 0.070 0.000 1.170 557 P CA 0.433 63.557 63.100 0.039 0.000 0.806 557 P CB -0.013 31.649 31.700 -0.063 0.000 0.775 558 F N 1.652 121.633 119.950 0.051 0.000 2.192 558 F HA 0.435 4.962 4.527 -0.000 0.000 0.187 558 F C 0.658 176.549 175.800 0.152 0.000 0.671 558 F CA -0.517 57.523 58.000 0.068 0.000 1.101 558 F CB -0.234 38.783 39.000 0.029 0.000 2.219 558 F HN 0.318 nan 8.300 nan 0.000 0.677 559 H N -0.515 118.639 119.070 0.139 0.000 6.344 559 H HA 0.230 4.786 4.556 -0.000 0.000 0.895 559 H C -1.838 173.536 175.328 0.077 0.000 1.981 559 H CA -0.812 55.230 56.048 -0.011 0.000 1.391 559 H CB -1.159 28.548 29.762 -0.091 0.000 4.731 559 H HN 0.621 nan 8.280 nan 0.000 0.697 560 I N 2.469 122.983 120.570 -0.093 0.000 2.577 560 I HA 0.435 4.605 4.170 -0.000 0.000 0.305 560 I C 0.124 176.134 176.117 -0.179 0.000 0.986 560 I CA -0.849 60.345 61.300 -0.177 0.000 1.189 560 I CB 1.641 39.382 38.000 -0.430 0.000 1.355 560 I HN 0.400 nan 8.210 nan 0.000 0.476 561 Q N 3.985 123.816 119.800 0.052 0.000 2.466 561 Q HA 0.616 4.956 4.340 -0.000 0.000 0.242 561 Q C -1.377 174.813 176.000 0.316 0.000 1.046 561 Q CA -0.275 55.775 55.803 0.412 0.000 0.841 561 Q CB 1.564 30.581 28.738 0.465 0.000 1.193 561 Q HN 0.537 nan 8.270 nan 0.000 0.508 562 V N 2.613 122.583 119.914 0.093 0.000 2.808 562 V HA 0.705 4.825 4.120 -0.000 0.000 0.308 562 V C -2.493 173.590 176.094 -0.018 0.000 1.099 562 V CA -1.765 60.531 62.300 -0.007 0.000 0.920 562 V CB 1.999 33.634 31.823 -0.314 0.000 1.014 562 V HN 0.541 nan 8.190 nan 0.000 0.425 563 P HA 0.599 nan 4.420 nan 0.000 0.348 563 P C -1.514 175.724 177.300 -0.104 0.000 1.239 563 P CA -0.637 62.421 63.100 -0.069 0.000 0.783 563 P CB 1.561 33.149 31.700 -0.188 0.000 1.515 564 Q N -0.790 118.953 119.800 -0.095 0.000 2.565 564 Q HA 0.584 4.924 4.340 -0.000 0.000 0.294 564 Q C -1.755 174.135 176.000 -0.183 0.000 1.005 564 Q CA -0.847 54.893 55.803 -0.104 0.000 0.771 564 Q CB 2.277 31.020 28.738 0.008 0.000 1.486 564 Q HN 0.418 nan 8.270 nan 0.000 0.422 565 K N 0.977 121.207 120.400 -0.284 0.000 2.525 565 K HA 0.562 4.882 4.320 -0.000 0.000 0.254 565 K C -2.025 174.328 176.600 -0.411 0.000 0.934 565 K CA -0.612 55.491 56.287 -0.306 0.000 0.802 565 K CB 1.613 33.875 32.500 -0.397 0.000 1.295 565 K HN 0.392 nan 8.250 nan 0.000 0.433 566 F N 1.403 121.152 119.950 -0.335 0.000 2.631 566 F HA 0.451 4.978 4.527 0.000 0.000 0.328 566 F C 0.397 175.932 175.800 -0.442 0.000 1.067 566 F CA -1.674 56.046 58.000 -0.467 0.000 0.969 566 F CB 1.226 40.112 39.000 -0.189 0.000 1.332 566 F HN 0.549 nan 8.300 nan 0.000 0.490 567 F N 0.886 121.012 119.950 0.292 0.000 2.773 567 F HA 0.214 4.741 4.527 -0.000 0.000 0.299 567 F C 1.373 177.221 175.800 0.080 0.000 1.204 567 F CA 0.971 59.049 58.000 0.130 0.000 1.454 567 F CB -0.681 38.376 39.000 0.094 0.000 1.117 567 F HN 0.392 nan 8.300 nan 0.000 0.590 568 A N -0.349 122.574 122.820 0.172 0.000 2.604 568 A HA 0.189 4.508 4.320 -0.000 0.000 0.157 568 A C 1.386 179.040 177.584 0.118 0.000 1.680 568 A CA 0.159 52.283 52.037 0.145 0.000 1.227 568 A CB -0.945 18.135 19.000 0.134 0.000 1.493 568 A HN 0.284 nan 8.150 nan 0.000 0.453 569 I N -0.481 120.154 120.570 0.107 0.000 3.059 569 I HA 0.075 4.245 4.170 -0.000 0.000 0.270 569 I C 1.365 177.536 176.117 0.090 0.000 1.238 569 I CA 1.587 62.953 61.300 0.110 0.000 1.478 569 I CB -0.267 37.835 38.000 0.171 0.000 1.097 569 I HN 0.104 nan 8.210 nan 0.000 0.455 570 K N 1.070 121.502 120.400 0.054 0.000 2.589 570 K HA -0.086 4.234 4.320 -0.000 0.000 0.195 570 K C -0.089 176.538 176.600 0.045 0.000 1.042 570 K CA 1.153 57.457 56.287 0.028 0.000 0.940 570 K CB -0.860 31.644 32.500 0.005 0.000 0.776 570 K HN 0.450 nan 8.250 nan 0.000 0.487 571 N N 0.178 118.929 118.700 0.085 0.000 2.751 571 N HA 0.315 5.055 4.740 -0.000 0.000 0.238 571 N C -1.795 173.830 175.510 0.192 0.000 1.351 571 N CA -0.160 52.982 53.050 0.153 0.000 0.751 571 N CB 0.694 39.308 38.487 0.211 0.000 1.342 571 N HN -0.008 nan 8.380 nan 0.000 0.540 572 L N 1.273 122.575 121.223 0.133 0.000 2.309 572 L HA 0.726 5.066 4.340 -0.000 0.000 0.261 572 L C -0.891 176.035 176.870 0.093 0.000 1.021 572 L CA -0.968 53.934 54.840 0.102 0.000 0.823 572 L CB 1.620 43.721 42.059 0.070 0.000 1.366 572 L HN 0.140 nan 8.230 nan 0.000 0.423 573 L N 0.893 122.157 121.223 0.069 0.000 2.461 573 L HA 0.817 5.157 4.340 -0.000 0.000 0.242 573 L C -1.237 175.665 176.870 0.054 0.000 1.143 573 L CA -0.817 54.069 54.840 0.078 0.000 0.984 573 L CB 1.168 43.256 42.059 0.047 0.000 1.573 573 L HN 0.382 nan 8.230 nan 0.000 0.404 574 L N -0.206 121.061 121.223 0.073 0.000 2.921 574 L HA 0.669 5.009 4.340 -0.000 0.000 0.261 574 L C -1.870 175.069 176.870 0.114 0.000 0.984 574 L CA -0.350 54.536 54.840 0.076 0.000 0.951 574 L CB 1.663 43.742 42.059 0.034 0.000 1.495 574 L HN 0.618 nan 8.230 nan 0.000 0.414 575 L N 0.297 121.596 121.223 0.127 0.000 2.670 575 L HA 0.899 5.239 4.340 -0.000 0.000 0.251 575 L C -2.313 174.665 176.870 0.181 0.000 1.548 575 L CA -2.126 52.786 54.840 0.120 0.000 1.643 575 L CB -1.214 40.889 42.059 0.073 0.000 2.174 575 L HN 0.356 nan 8.230 nan 0.000 0.585 576 P HA 0.153 nan 4.420 nan 0.000 0.267 576 P C -0.361 177.082 177.300 0.238 0.000 1.158 576 P CA 0.996 64.187 63.100 0.152 0.000 0.756 576 P CB -0.178 31.584 31.700 0.103 0.000 0.766 577 G N -0.041 108.889 108.800 0.215 0.000 2.694 577 G HA2 0.539 4.499 3.960 -0.000 0.000 0.290 577 G HA3 0.539 4.499 3.960 -0.000 0.000 0.290 577 G C -0.806 174.174 174.900 0.134 0.000 1.386 577 G CA -0.508 44.771 45.100 0.299 0.000 0.872 577 G HN 0.456 nan 8.290 nan 0.000 0.475 578 S N -0.538 115.214 115.700 0.086 0.000 3.750 578 S HA 0.224 4.694 4.470 -0.000 0.000 0.117 578 S C -0.807 173.774 174.600 -0.033 0.000 0.847 578 S CA -0.500 57.700 58.200 0.000 0.000 0.850 578 S CB -1.033 62.116 63.200 -0.084 0.000 1.149 578 S HN 0.515 nan 8.310 nan 0.000 0.694 579 Y N 1.646 122.003 120.300 0.096 0.000 2.771 579 Y HA 0.841 5.391 4.550 -0.000 0.000 0.389 579 Y C 1.484 177.452 175.900 0.114 0.000 1.289 579 Y CA 0.298 58.460 58.100 0.103 0.000 1.485 579 Y CB -0.018 38.510 38.460 0.114 0.000 1.596 579 Y HN 0.401 nan 8.280 nan 0.000 0.721 580 T N -2.780 111.978 114.554 0.340 0.000 2.654 580 T HA 0.469 4.819 4.350 -0.000 0.000 0.303 580 T C -2.033 172.864 174.700 0.330 0.000 1.656 580 T CA -0.882 61.373 62.100 0.259 0.000 0.971 580 T CB 1.716 70.684 68.868 0.167 0.000 1.811 580 T HN 0.715 nan 8.240 nan 0.000 0.483 581 Y N -0.467 119.894 120.300 0.102 0.000 3.010 581 Y HA 0.656 5.206 4.550 -0.000 0.000 0.399 581 Y C -1.382 174.541 175.900 0.038 0.000 1.189 581 Y CA -0.566 57.601 58.100 0.111 0.000 1.175 581 Y CB 0.457 39.038 38.460 0.201 0.000 1.619 581 Y HN 1.212 nan 8.280 nan 0.000 0.459 582 E N 0.242 120.195 120.200 -0.411 0.000 1.501 582 E HA 0.462 4.812 4.350 -0.000 0.000 0.143 582 E C -2.089 174.198 176.600 -0.522 0.000 1.893 582 E CA -0.106 55.970 56.400 -0.539 0.000 1.134 582 E CB 0.961 30.435 29.700 -0.377 0.000 1.690 582 E HN 0.668 nan 8.360 nan 0.000 0.695 583 W N 0.576 121.486 121.300 -0.650 0.000 3.588 583 W HA -0.047 4.613 4.660 -0.000 0.000 0.318 583 W C -1.948 173.932 176.519 -1.066 0.000 0.462 583 W CA -0.388 56.473 57.345 -0.807 0.000 0.603 583 W CB -0.908 28.007 29.460 -0.908 0.000 0.963 583 W HN 0.619 nan 8.180 nan 0.000 0.485 584 N N 4.747 123.185 118.700 -0.436 0.000 3.112 584 N HA 0.238 4.978 4.740 -0.000 0.000 0.270 584 N C -0.199 175.270 175.510 -0.068 0.000 1.385 584 N CA -0.412 52.460 53.050 -0.296 0.000 0.986 584 N CB 0.167 38.539 38.487 -0.192 0.000 1.261 584 N HN 0.017 nan 8.380 nan 0.000 0.495 585 F N 0.873 120.913 119.950 0.150 0.000 2.646 585 F HA -0.054 4.473 4.527 -0.000 0.000 0.363 585 F C 1.737 177.392 175.800 -0.242 0.000 1.143 585 F CA -0.307 57.617 58.000 -0.128 0.000 1.356 585 F CB 0.337 39.243 39.000 -0.158 0.000 1.055 585 F HN 0.049 nan 8.300 nan 0.000 0.606 586 R N 2.470 122.647 120.500 -0.538 0.000 2.486 586 R HA -0.045 4.295 4.340 -0.000 0.000 0.303 586 R C 0.421 176.714 176.300 -0.012 0.000 0.958 586 R CA 0.274 56.061 56.100 -0.521 0.000 1.077 586 R CB 0.241 30.251 30.300 -0.484 0.000 0.921 586 R HN 0.588 nan 8.270 nan 0.000 0.406 587 K N 2.541 123.054 120.400 0.188 0.000 2.681 587 K HA 0.097 4.417 4.320 -0.000 0.000 0.211 587 K C -0.843 175.873 176.600 0.193 0.000 1.075 587 K CA -0.047 56.340 56.287 0.167 0.000 1.141 587 K CB 0.384 33.013 32.500 0.215 0.000 0.896 587 K HN 0.509 nan 8.250 nan 0.000 0.470 588 D N -0.098 120.420 120.400 0.197 0.000 2.505 588 D HA 0.048 4.688 4.640 -0.000 0.000 0.249 588 D C 1.356 177.701 176.300 0.075 0.000 1.082 588 D CA -0.354 53.749 54.000 0.172 0.000 0.839 588 D CB 2.058 43.023 40.800 0.277 0.000 1.317 588 D HN -0.131 nan 8.370 nan 0.000 0.497 589 V N 1.946 121.879 119.914 0.032 0.000 2.244 589 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 589 V C 1.577 177.665 176.094 -0.009 0.000 1.042 589 V CA 1.154 63.448 62.300 -0.009 0.000 1.006 589 V CB -0.620 31.181 31.823 -0.035 0.000 0.641 589 V HN 0.406 nan 8.190 nan 0.000 0.446 590 N N 1.004 119.711 118.700 0.011 0.000 2.381 590 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 590 N C 1.672 177.360 175.510 0.296 0.000 1.025 590 N CA 1.901 54.975 53.050 0.039 0.000 0.888 590 N CB -0.356 38.095 38.487 -0.059 0.000 0.965 590 N HN 0.695 nan 8.380 nan 0.000 0.438 591 M N -1.366 118.355 119.600 0.202 0.000 2.509 591 M HA 0.192 4.672 4.480 -0.000 0.000 0.250 591 M C 1.476 177.778 176.300 0.002 0.000 1.132 591 M CA 0.585 55.954 55.300 0.116 0.000 1.080 591 M CB -0.448 32.208 32.600 0.093 0.000 1.408 591 M HN 0.016 nan 8.290 nan 0.000 0.484 592 V N -1.810 118.084 119.914 -0.032 0.000 2.948 592 V HA 0.349 4.468 4.120 -0.000 0.000 0.234 592 V C 0.880 176.743 176.094 -0.385 0.000 1.205 592 V CA -0.180 62.051 62.300 -0.115 0.000 1.234 592 V CB -0.251 31.587 31.823 0.025 0.000 1.020 592 V HN 0.244 nan 8.190 nan 0.000 0.491 593 L N 1.740 122.774 121.223 -0.315 0.000 2.343 593 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 593 L C -0.102 176.588 176.870 -0.300 0.000 1.056 593 L CA 0.154 54.723 54.840 -0.450 0.000 0.804 593 L CB 1.571 43.492 42.059 -0.231 0.000 1.203 593 L HN 0.380 nan 8.230 nan 0.000 0.440 594 Q N 1.843 121.455 119.800 -0.314 0.000 2.316 594 Q HA 0.535 4.875 4.340 -0.000 0.000 0.264 594 Q C -1.299 174.616 176.000 -0.142 0.000 0.987 594 Q CA -0.573 55.105 55.803 -0.208 0.000 0.852 594 Q CB 1.819 30.442 28.738 -0.191 0.000 1.287 594 Q HN 0.786 nan 8.270 nan 0.000 0.448 595 S N 1.717 117.344 115.700 -0.122 0.000 2.648 595 S HA 0.352 4.822 4.470 -0.000 0.000 0.305 595 S C 0.748 175.314 174.600 -0.057 0.000 1.094 595 S CA -0.363 57.806 58.200 -0.051 0.000 0.983 595 S CB 1.594 64.770 63.200 -0.040 0.000 1.101 595 S HN 0.753 nan 8.310 nan 0.000 0.514 596 S N 0.461 116.164 115.700 0.005 0.000 2.506 596 S HA -0.162 4.308 4.470 -0.000 0.000 0.312 596 S C 0.960 175.501 174.600 -0.098 0.000 1.079 596 S CA 1.442 59.632 58.200 -0.017 0.000 1.755 596 S CB -1.109 62.119 63.200 0.047 0.000 1.371 596 S HN 0.668 nan 8.310 nan 0.000 0.430 597 L N 0.264 121.422 121.223 -0.108 0.000 2.468 597 L HA 0.720 5.060 4.340 -0.000 0.000 0.254 597 L C 1.001 177.763 176.870 -0.180 0.000 1.171 597 L CA -0.100 54.651 54.840 -0.148 0.000 0.809 597 L CB -1.054 40.932 42.059 -0.121 0.000 1.155 597 L HN 0.531 nan 8.230 nan 0.000 0.473 598 G N 0.049 108.703 108.800 -0.244 0.000 2.462 598 G HA2 0.630 4.590 3.960 -0.000 0.000 0.319 598 G HA3 0.630 4.590 3.960 -0.000 0.000 0.319 598 G C -0.422 174.396 174.900 -0.136 0.000 1.171 598 G CA -0.137 44.690 45.100 -0.454 0.000 0.920 598 G HN 1.142 nan 8.290 nan 0.000 0.499 599 N N -1.224 117.384 118.700 -0.153 0.000 3.472 599 N HA 0.175 4.915 4.740 -0.000 0.000 0.381 599 N C -1.684 173.781 175.510 -0.075 0.000 1.237 599 N CA -0.663 52.372 53.050 -0.026 0.000 0.796 599 N CB 0.752 39.268 38.487 0.048 0.000 2.823 599 N HN 0.603 nan 8.380 nan 0.000 0.420 600 D N -0.659 119.710 120.400 -0.051 0.000 2.575 600 D HA 0.629 5.269 4.640 -0.000 0.000 0.236 600 D C -1.144 175.113 176.300 -0.073 0.000 1.075 600 D CA -0.894 53.064 54.000 -0.071 0.000 0.860 600 D CB 2.123 42.895 40.800 -0.047 0.000 1.475 600 D HN 0.763 nan 8.370 nan 0.000 0.474 601 L N 0.795 121.972 121.223 -0.078 0.000 2.460 601 L HA 0.490 4.830 4.340 -0.000 0.000 0.275 601 L C -0.478 176.356 176.870 -0.061 0.000 1.448 601 L CA -0.477 54.318 54.840 -0.075 0.000 0.679 601 L CB 0.426 42.430 42.059 -0.091 0.000 0.945 601 L HN 0.442 nan 8.230 nan 0.000 0.517 602 R N -0.490 119.983 120.500 -0.045 0.000 2.412 602 R HA 0.427 4.767 4.340 -0.000 0.000 0.212 602 R C 0.421 176.710 176.300 -0.018 0.000 0.878 602 R CA 0.560 56.645 56.100 -0.025 0.000 1.022 602 R CB 1.272 31.567 30.300 -0.010 0.000 1.265 602 R HN 0.320 nan 8.270 nan 0.000 0.620 603 V N 1.152 121.052 119.914 -0.023 0.000 3.172 603 V HA 0.092 4.212 4.120 -0.000 0.000 0.343 603 V C -0.057 176.021 176.094 -0.026 0.000 1.429 603 V CA 0.212 62.502 62.300 -0.018 0.000 1.149 603 V CB 1.062 32.879 31.823 -0.010 0.000 1.106 603 V HN 0.159 nan 8.190 nan 0.000 0.526 604 D N -0.030 120.346 120.400 -0.040 0.000 2.514 604 D HA 0.278 4.918 4.640 -0.000 0.000 0.225 604 D C 1.240 177.495 176.300 -0.075 0.000 1.159 604 D CA 1.266 55.233 54.000 -0.055 0.000 0.823 604 D CB 2.058 42.822 40.800 -0.059 0.000 1.097 604 D HN 0.393 nan 8.370 nan 0.000 0.519 605 G N 0.402 109.162 108.800 -0.067 0.000 4.308 605 G HA2 0.314 4.274 3.960 -0.000 0.000 0.198 605 G HA3 0.314 4.274 3.960 -0.000 0.000 0.198 605 G C 0.058 174.914 174.900 -0.073 0.000 0.980 605 G CA 0.464 45.517 45.100 -0.078 0.000 0.961 605 G HN 0.369 nan 8.290 nan 0.000 0.318 606 A N -0.000 122.776 122.820 -0.073 0.000 2.269 606 A HA 0.858 5.178 4.320 -0.000 0.000 0.319 606 A C -0.222 177.329 177.584 -0.056 0.000 1.110 606 A CA -0.054 51.939 52.037 -0.074 0.000 0.847 606 A CB 1.331 20.273 19.000 -0.097 0.000 1.161 606 A HN 0.968 nan 8.150 nan 0.000 0.497 607 S N 0.083 115.748 115.700 -0.058 0.000 2.481 607 S HA 0.413 4.883 4.470 -0.000 0.000 0.262 607 S C -1.012 173.542 174.600 -0.076 0.000 1.061 607 S CA -0.303 57.865 58.200 -0.054 0.000 1.039 607 S CB 0.487 63.670 63.200 -0.027 0.000 1.170 607 S HN 0.874 nan 8.310 nan 0.000 0.437 608 I N 3.294 123.787 120.570 -0.128 0.000 3.174 608 I HA 0.855 5.025 4.170 -0.000 0.000 0.313 608 I C -1.693 174.264 176.117 -0.268 0.000 1.155 608 I CA -0.737 60.440 61.300 -0.205 0.000 0.977 608 I CB 2.034 39.855 38.000 -0.299 0.000 1.248 608 I HN 0.684 nan 8.210 nan 0.000 0.453 609 K N 2.164 122.346 120.400 -0.364 0.000 2.617 609 K HA 0.494 4.814 4.320 -0.000 0.000 0.293 609 K C -2.196 174.141 176.600 -0.439 0.000 1.034 609 K CA -0.693 55.388 56.287 -0.344 0.000 0.884 609 K CB 1.620 34.068 32.500 -0.088 0.000 1.541 609 K HN 0.410 nan 8.250 nan 0.000 0.409 610 F N 0.222 120.157 119.950 -0.025 0.000 2.654 610 F HA 0.372 4.899 4.527 -0.000 0.000 0.334 610 F C 0.047 175.961 175.800 0.190 0.000 1.078 610 F CA -0.557 57.488 58.000 0.075 0.000 0.986 610 F CB 2.027 41.040 39.000 0.020 0.000 1.362 610 F HN 0.897 nan 8.300 nan 0.000 0.498 611 D N -2.185 118.473 120.400 0.429 0.000 2.218 611 D HA 0.243 4.883 4.640 -0.000 0.000 0.307 611 D C -0.272 176.152 176.300 0.206 0.000 1.086 611 D CA 0.166 54.318 54.000 0.254 0.000 0.886 611 D CB 0.599 41.501 40.800 0.169 0.000 1.645 611 D HN 0.174 nan 8.370 nan 0.000 0.523 612 S N -0.456 115.353 115.700 0.181 0.000 2.595 612 S HA 0.753 5.223 4.470 -0.000 0.000 0.281 612 S C -1.477 173.167 174.600 0.074 0.000 1.117 612 S CA -0.788 57.498 58.200 0.143 0.000 0.873 612 S CB 2.076 65.350 63.200 0.124 0.000 1.108 612 S HN 0.350 nan 8.310 nan 0.000 0.477 613 I N 0.817 121.495 120.570 0.181 0.000 2.828 613 I HA 0.749 4.919 4.170 -0.000 0.000 0.295 613 I C -1.776 174.517 176.117 0.293 0.000 1.459 613 I CA -0.355 61.058 61.300 0.187 0.000 1.015 613 I CB 1.183 39.344 38.000 0.268 0.000 1.345 613 I HN 0.937 nan 8.210 nan 0.000 0.449 614 C N 4.435 123.882 119.300 0.245 0.000 3.211 614 C HA 0.688 5.148 4.460 -0.000 0.000 0.350 614 C C -1.321 173.616 174.990 -0.089 0.000 1.413 614 C CA -1.060 58.047 59.018 0.148 0.000 1.203 614 C CB 1.107 28.905 27.740 0.098 0.000 1.506 614 C HN 0.987 nan 8.230 nan 0.000 0.448 615 L N 0.608 121.531 121.223 -0.500 0.000 2.445 615 L HA 0.848 5.188 4.340 -0.000 0.000 0.262 615 L C -2.126 174.340 176.870 -0.673 0.000 0.974 615 L CA -0.214 54.288 54.840 -0.563 0.000 0.822 615 L CB 1.863 43.484 42.059 -0.731 0.000 1.339 615 L HN 0.826 nan 8.230 nan 0.000 0.409 616 Y N 3.467 123.666 120.300 -0.168 0.000 2.331 616 Y HA 0.832 5.382 4.550 -0.000 0.000 0.326 616 Y C -0.094 175.675 175.900 -0.218 0.000 1.020 616 Y CA -0.850 57.106 58.100 -0.240 0.000 1.136 616 Y CB 1.766 40.113 38.460 -0.188 0.000 1.157 616 Y HN 0.698 nan 8.280 nan 0.000 0.444 617 A N 1.161 123.920 122.820 -0.102 0.000 2.556 617 A HA 0.808 5.128 4.320 -0.000 0.000 0.294 617 A C 0.142 177.674 177.584 -0.087 0.000 1.091 617 A CA -0.524 51.466 52.037 -0.077 0.000 0.704 617 A CB 0.780 19.752 19.000 -0.047 0.000 1.300 617 A HN 0.732 nan 8.150 nan 0.000 0.406 618 T N -1.376 113.183 114.554 0.008 0.000 2.652 618 T HA 0.582 4.932 4.350 -0.000 0.000 0.345 618 T C -0.096 174.801 174.700 0.329 0.000 1.051 618 T CA 0.420 62.579 62.100 0.099 0.000 1.021 618 T CB 0.070 68.997 68.868 0.098 0.000 1.141 618 T HN 0.813 nan 8.240 nan 0.000 0.518 619 F N -1.185 118.796 119.950 0.052 0.000 2.728 619 F HA 0.395 4.922 4.527 -0.000 0.000 0.315 619 F C -1.482 174.434 175.800 0.193 0.000 1.096 619 F CA -1.507 56.557 58.000 0.106 0.000 0.997 619 F CB 1.495 40.548 39.000 0.088 0.000 1.252 619 F HN 0.605 nan 8.300 nan 0.000 0.458 620 F N 5.806 125.738 119.950 -0.030 0.000 2.480 620 F HA 0.769 5.296 4.527 -0.000 0.000 0.329 620 F C -2.487 173.273 175.800 -0.067 0.000 1.091 620 F CA -2.558 55.416 58.000 -0.043 0.000 0.972 620 F CB 1.673 40.636 39.000 -0.063 0.000 1.150 620 F HN 0.091 nan 8.300 nan 0.000 0.467 621 P HA 0.585 nan 4.420 nan 0.000 0.293 621 P C -1.725 175.333 177.300 -0.403 0.000 1.303 621 P CA -0.836 62.133 63.100 -0.218 0.000 0.972 621 P CB 3.051 34.672 31.700 -0.131 0.000 1.377 622 M N 0.174 119.643 119.600 -0.218 0.000 2.365 622 M HA 0.567 5.047 4.480 -0.000 0.000 0.288 622 M C -1.240 175.012 176.300 -0.081 0.000 1.152 622 M CA -0.718 54.477 55.300 -0.175 0.000 0.948 622 M CB 2.224 34.749 32.600 -0.125 0.000 1.729 622 M HN 0.530 nan 8.290 nan 0.000 0.487 623 A N 2.923 125.693 122.820 -0.084 0.000 2.587 623 A HA 0.018 4.338 4.320 -0.000 0.000 0.235 623 A C 0.265 177.876 177.584 0.045 0.000 1.044 623 A CA 0.722 52.719 52.037 -0.067 0.000 0.754 623 A CB -0.350 18.630 19.000 -0.032 0.000 0.968 623 A HN 1.086 nan 8.150 nan 0.000 0.509 624 H N 1.378 120.425 119.070 -0.038 0.000 2.470 624 H HA -0.026 4.530 4.556 -0.000 0.000 0.289 624 H C 1.530 176.843 175.328 -0.025 0.000 1.033 624 H CA 0.870 56.899 56.048 -0.032 0.000 1.331 624 H CB 0.188 29.938 29.762 -0.021 0.000 1.414 624 H HN 0.819 nan 8.280 nan 0.000 0.545 625 N N 0.743 119.501 118.700 0.097 0.000 2.666 625 N HA -0.077 4.663 4.740 -0.000 0.000 0.194 625 N C 0.052 175.574 175.510 0.019 0.000 1.220 625 N CA 0.874 53.949 53.050 0.041 0.000 0.928 625 N CB 0.243 38.745 38.487 0.024 0.000 0.997 625 N HN 0.370 nan 8.380 nan 0.000 0.447 626 T N -3.722 110.851 114.554 0.032 0.000 3.275 626 T HA 0.388 4.738 4.350 -0.000 0.000 0.298 626 T C 0.914 175.612 174.700 -0.002 0.000 0.988 626 T CA -0.422 61.682 62.100 0.007 0.000 0.936 626 T CB 0.941 69.812 68.868 0.006 0.000 1.159 626 T HN 0.077 nan 8.240 nan 0.000 0.519 627 A N 2.116 124.926 122.820 -0.017 0.000 1.969 627 A HA 0.314 4.634 4.320 -0.000 0.000 0.205 627 A C 2.172 179.695 177.584 -0.101 0.000 1.364 627 A CA 0.796 52.792 52.037 -0.069 0.000 0.756 627 A CB -0.723 18.190 19.000 -0.144 0.000 0.988 627 A HN 0.522 nan 8.150 nan 0.000 0.490 628 S N -0.115 115.510 115.700 -0.125 0.000 2.584 628 S HA -0.078 4.392 4.470 -0.000 0.000 0.240 628 S C 1.399 175.966 174.600 -0.055 0.000 0.975 628 S CA 1.643 59.789 58.200 -0.090 0.000 0.949 628 S CB -0.808 62.343 63.200 -0.082 0.000 0.761 628 S HN 0.442 nan 8.310 nan 0.000 0.536 629 T N 2.279 116.802 114.554 -0.051 0.000 2.735 629 T HA 0.196 4.546 4.350 -0.000 0.000 0.256 629 T C 1.454 176.132 174.700 -0.037 0.000 1.042 629 T CA 0.770 62.847 62.100 -0.037 0.000 1.147 629 T CB -0.170 68.678 68.868 -0.033 0.000 0.865 629 T HN 0.277 nan 8.240 nan 0.000 0.421 630 L N 1.295 122.494 121.223 -0.041 0.000 2.554 630 L HA 0.190 4.530 4.340 -0.000 0.000 0.226 630 L C 2.148 178.994 176.870 -0.040 0.000 1.137 630 L CA 1.131 55.948 54.840 -0.038 0.000 0.863 630 L CB -0.875 41.162 42.059 -0.036 0.000 0.985 630 L HN 0.491 nan 8.230 nan 0.000 0.451 631 E N 0.948 121.121 120.200 -0.045 0.000 2.045 631 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 631 E C 1.978 178.563 176.600 -0.025 0.000 0.953 631 E CA 0.835 57.212 56.400 -0.038 0.000 0.859 631 E CB -0.219 29.451 29.700 -0.051 0.000 0.854 631 E HN 0.090 nan 8.360 nan 0.000 0.471 632 A N 1.298 124.104 122.820 -0.024 0.000 2.285 632 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 632 A C 2.019 179.594 177.584 -0.016 0.000 1.188 632 A CA 1.391 53.421 52.037 -0.011 0.000 0.707 632 A CB -0.871 18.122 19.000 -0.012 0.000 0.771 632 A HN 0.564 nan 8.150 nan 0.000 0.488 633 M N -0.867 118.718 119.600 -0.025 0.000 2.155 633 M HA 0.159 4.639 4.480 -0.000 0.000 0.258 633 M C 0.131 176.406 176.300 -0.040 0.000 1.092 633 M CA 1.116 56.397 55.300 -0.031 0.000 1.153 633 M CB -0.084 32.494 32.600 -0.035 0.000 1.316 633 M HN 0.225 nan 8.290 nan 0.000 0.431 634 L N 2.194 123.389 121.223 -0.046 0.000 2.325 634 L HA 0.116 4.456 4.340 -0.000 0.000 0.284 634 L C 0.459 177.291 176.870 -0.063 0.000 1.089 634 L CA 0.406 55.205 54.840 -0.068 0.000 0.836 634 L CB 0.401 42.419 42.059 -0.069 0.000 1.184 634 L HN 0.557 nan 8.230 nan 0.000 0.444 635 R N 1.004 121.448 120.500 -0.093 0.000 2.073 635 R HA 0.026 4.366 4.340 -0.000 0.000 0.091 635 R C 0.334 176.569 176.300 -0.109 0.000 0.842 635 R CA -0.443 55.617 56.100 -0.067 0.000 2.683 635 R CB 0.082 30.370 30.300 -0.020 0.000 1.313 635 R HN 0.505 nan 8.270 nan 0.000 0.513 636 N N 1.465 120.091 118.700 -0.123 0.000 2.206 636 N HA -0.109 4.631 4.740 -0.000 0.000 0.226 636 N C -0.168 175.242 175.510 -0.166 0.000 1.272 636 N CA 1.045 54.036 53.050 -0.098 0.000 0.863 636 N CB 0.294 38.730 38.487 -0.086 0.000 1.092 636 N HN 0.100 nan 8.380 nan 0.000 0.440 637 D N -0.805 119.626 120.400 0.051 0.000 2.324 637 D HA 0.063 4.703 4.640 -0.000 0.000 0.235 637 D C 0.444 176.814 176.300 0.117 0.000 1.095 637 D CA 0.611 54.773 54.000 0.270 0.000 0.871 637 D CB 0.270 41.168 40.800 0.163 0.000 0.906 637 D HN 0.504 nan 8.370 nan 0.000 0.522 638 T N -2.164 112.360 114.554 -0.049 0.000 3.550 638 T HA 0.013 4.363 4.350 -0.000 0.000 0.261 638 T C 0.675 175.304 174.700 -0.118 0.000 0.990 638 T CA -0.520 61.549 62.100 -0.052 0.000 1.142 638 T CB -0.287 68.561 68.868 -0.033 0.000 1.173 638 T HN -0.173 nan 8.240 nan 0.000 0.405 639 N N 3.292 121.914 118.700 -0.130 0.000 2.874 639 N HA 0.226 4.966 4.740 -0.000 0.000 0.316 639 N C -1.508 173.888 175.510 -0.190 0.000 1.205 639 N CA 0.405 53.377 53.050 -0.131 0.000 1.180 639 N CB -0.279 38.147 38.487 -0.102 0.000 1.450 639 N HN 0.457 nan 8.380 nan 0.000 0.528 640 D N -1.049 119.235 120.400 -0.194 0.000 2.579 640 D HA 0.142 4.782 4.640 -0.000 0.000 0.257 640 D C -0.496 175.735 176.300 -0.114 0.000 1.176 640 D CA -0.726 53.153 54.000 -0.202 0.000 0.914 640 D CB 0.501 41.082 40.800 -0.366 0.000 1.431 640 D HN -0.129 nan 8.370 nan 0.000 0.454 641 Q N 0.573 120.325 119.800 -0.080 0.000 2.286 641 Q HA 0.282 4.622 4.340 -0.000 0.000 0.290 641 Q C -0.650 175.334 176.000 -0.026 0.000 1.049 641 Q CA 0.562 56.330 55.803 -0.058 0.000 0.923 641 Q CB 0.540 29.272 28.738 -0.009 0.000 1.183 641 Q HN 0.443 nan 8.270 nan 0.000 0.383 642 S N 5.517 121.185 115.700 -0.053 0.000 2.605 642 S HA 0.325 4.795 4.470 -0.000 0.000 0.142 642 S C -1.555 173.075 174.600 0.050 0.000 1.452 642 S CA -0.592 57.612 58.200 0.008 0.000 1.240 642 S CB -0.270 62.923 63.200 -0.011 0.000 1.538 642 S HN 0.343 nan 8.310 nan 0.000 0.394 643 F N 4.190 124.169 119.950 0.049 0.000 2.410 643 F HA 0.526 5.053 4.527 -0.000 0.000 0.349 643 F C 0.514 176.369 175.800 0.092 0.000 1.117 643 F CA -1.313 56.728 58.000 0.068 0.000 1.104 643 F CB 1.238 40.280 39.000 0.070 0.000 1.122 643 F HN 0.582 nan 8.300 nan 0.000 0.483 644 N N 1.752 120.672 118.700 0.367 0.000 2.508 644 N HA 0.198 4.938 4.740 -0.000 0.000 0.285 644 N C -0.945 174.705 175.510 0.233 0.000 1.144 644 N CA -0.731 52.465 53.050 0.242 0.000 0.978 644 N CB 0.612 39.205 38.487 0.178 0.000 1.180 644 N HN 0.341 nan 8.380 nan 0.000 0.484 645 D N -0.668 119.881 120.400 0.248 0.000 2.313 645 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 645 D C -0.527 175.930 176.300 0.262 0.000 1.094 645 D CA -0.208 53.974 54.000 0.303 0.000 0.925 645 D CB 0.553 41.583 40.800 0.384 0.000 1.188 645 D HN 0.612 nan 8.370 nan 0.000 0.430 646 Y N 1.563 121.970 120.300 0.178 0.000 2.444 646 Y HA 0.185 4.735 4.550 -0.000 0.000 0.252 646 Y C 1.647 177.637 175.900 0.149 0.000 1.091 646 Y CA -0.104 58.084 58.100 0.146 0.000 1.276 646 Y CB 0.418 38.943 38.460 0.109 0.000 1.170 646 Y HN 0.401 nan 8.280 nan 0.000 0.517 647 L N -0.106 121.320 121.223 0.337 0.000 1.899 647 L HA -0.086 4.254 4.340 -0.000 0.000 0.220 647 L C 0.799 177.779 176.870 0.182 0.000 1.091 647 L CA 1.878 56.883 54.840 0.275 0.000 0.781 647 L CB -0.360 41.892 42.059 0.321 0.000 0.886 647 L HN 0.041 nan 8.230 nan 0.000 0.430 648 S N -0.588 115.216 115.700 0.173 0.000 3.877 648 S HA 0.133 4.603 4.470 -0.000 0.000 0.520 648 S C -0.410 174.145 174.600 -0.075 0.000 0.778 648 S CA 0.233 58.459 58.200 0.043 0.000 1.362 648 S CB -1.391 61.806 63.200 -0.005 0.000 0.850 648 S HN 0.986 nan 8.310 nan 0.000 0.695 649 A N 0.579 123.382 122.820 -0.028 0.000 2.809 649 A HA 0.990 5.310 4.320 -0.000 0.000 0.310 649 A C -1.182 176.373 177.584 -0.048 0.000 1.138 649 A CA -0.058 51.936 52.037 -0.072 0.000 0.610 649 A CB 0.351 19.355 19.000 0.006 0.000 1.432 649 A HN 1.972 nan 8.150 nan 0.000 0.597 650 A N 0.443 123.209 122.820 -0.091 0.000 2.437 650 A HA 0.676 4.996 4.320 -0.000 0.000 0.293 650 A C -1.301 175.849 177.584 -0.724 0.000 1.038 650 A CA -0.478 51.353 52.037 -0.342 0.000 0.708 650 A CB 0.636 19.448 19.000 -0.313 0.000 1.251 650 A HN 0.785 nan 8.150 nan 0.000 0.409 651 N N 2.608 120.995 118.700 -0.522 0.000 2.706 651 N HA 0.455 5.195 4.740 -0.000 0.000 0.240 651 N C -1.018 174.253 175.510 -0.398 0.000 1.039 651 N CA -0.616 52.231 53.050 -0.337 0.000 0.888 651 N CB 1.388 39.835 38.487 -0.066 0.000 1.128 651 N HN 0.492 nan 8.380 nan 0.000 0.512 652 M N 2.519 121.883 119.600 -0.394 0.000 2.598 652 M HA 0.577 5.057 4.480 -0.000 0.000 0.317 652 M C -1.666 174.503 176.300 -0.218 0.000 1.179 652 M CA -1.331 53.893 55.300 -0.125 0.000 0.936 652 M CB 1.450 34.224 32.600 0.290 0.000 1.713 652 M HN 0.473 nan 8.290 nan 0.000 0.460 653 L N 1.876 122.717 121.223 -0.638 0.000 2.630 653 L HA 0.779 5.119 4.340 -0.000 0.000 0.258 653 L C -1.899 174.274 176.870 -1.161 0.000 1.072 653 L CA -1.022 53.296 54.840 -0.870 0.000 0.885 653 L CB 1.239 43.092 42.059 -0.343 0.000 1.502 653 L HN 0.655 nan 8.230 nan 0.000 0.406 654 Y N -2.150 118.194 120.300 0.074 0.000 2.313 654 Y HA 0.674 5.224 4.550 -0.000 0.000 0.320 654 Y C -2.609 173.313 175.900 0.037 0.000 1.171 654 Y CA -2.220 55.911 58.100 0.053 0.000 1.093 654 Y CB 0.774 39.272 38.460 0.063 0.000 1.224 654 Y HN 0.429 nan 8.280 nan 0.000 0.421 655 P HA -0.121 nan 4.420 nan 0.000 0.295 655 P C -0.655 176.693 177.300 0.080 0.000 1.897 655 P CA 0.610 63.757 63.100 0.078 0.000 1.665 655 P CB 0.634 32.369 31.700 0.058 0.000 0.475 656 I N -2.459 118.140 120.570 0.049 0.000 2.758 656 I HA 0.147 4.317 4.170 -0.000 0.000 0.283 656 I C -2.529 173.605 176.117 0.028 0.000 1.566 656 I CA -1.504 59.824 61.300 0.046 0.000 1.084 656 I CB 2.213 40.244 38.000 0.052 0.000 1.469 656 I HN 0.178 nan 8.210 nan 0.000 0.422 657 P HA 0.320 nan 4.420 nan 0.000 0.293 657 P C -0.820 176.492 177.300 0.021 0.000 1.298 657 P CA -0.562 62.549 63.100 0.018 0.000 0.757 657 P CB 0.515 32.225 31.700 0.017 0.000 1.262 658 A N 0.495 123.325 122.820 0.017 0.000 2.350 658 A HA 0.334 4.654 4.320 -0.000 0.000 0.293 658 A C -0.131 177.470 177.584 0.028 0.000 1.231 658 A CA 0.008 52.058 52.037 0.021 0.000 0.883 658 A CB -1.757 17.253 19.000 0.016 0.000 1.133 658 A HN 0.699 nan 8.150 nan 0.000 0.533 659 N N -0.214 118.508 118.700 0.036 0.000 2.372 659 N HA 0.078 4.818 4.740 -0.000 0.000 0.282 659 N C -0.740 174.796 175.510 0.042 0.000 1.425 659 N CA 0.854 53.930 53.050 0.043 0.000 0.663 659 N CB -0.596 37.915 38.487 0.039 0.000 0.903 659 N HN 1.674 nan 8.380 nan 0.000 0.495 660 A N 1.400 124.251 122.820 0.051 0.000 2.560 660 A HA 0.621 4.941 4.320 -0.000 0.000 0.300 660 A C 0.622 178.245 177.584 0.065 0.000 1.062 660 A CA 0.020 52.087 52.037 0.050 0.000 0.767 660 A CB 0.659 19.685 19.000 0.043 0.000 1.288 660 A HN 0.548 nan 8.150 nan 0.000 0.396 661 T N -0.392 114.198 114.554 0.060 0.000 3.535 661 T HA 0.176 4.526 4.350 -0.000 0.000 0.223 661 T C 0.835 175.568 174.700 0.055 0.000 0.933 661 T CA 0.816 62.957 62.100 0.068 0.000 1.445 661 T CB -0.761 68.141 68.868 0.057 0.000 1.286 661 T HN 0.591 nan 8.240 nan 0.000 0.436 662 N N 2.179 120.896 118.700 0.029 0.000 2.328 662 N HA 0.122 4.862 4.740 -0.000 0.000 0.290 662 N C -0.698 174.825 175.510 0.021 0.000 1.355 662 N CA -0.146 52.908 53.050 0.008 0.000 1.009 662 N CB -0.297 38.187 38.487 -0.005 0.000 1.426 662 N HN 0.368 nan 8.380 nan 0.000 0.488 663 V N 4.731 124.675 119.914 0.051 0.000 2.439 663 V HA 0.213 4.332 4.120 -0.000 0.000 0.271 663 V C -1.760 174.347 176.094 0.022 0.000 1.040 663 V CA -1.663 60.678 62.300 0.068 0.000 1.002 663 V CB 0.602 32.514 31.823 0.147 0.000 1.000 663 V HN 0.549 nan 8.190 nan 0.000 0.477 664 P HA 0.277 nan 4.420 nan 0.000 0.269 664 P C -0.480 176.774 177.300 -0.076 0.000 1.263 664 P CA -0.057 63.018 63.100 -0.042 0.000 0.813 664 P CB 0.419 32.097 31.700 -0.037 0.000 0.868 665 I N 2.416 122.925 120.570 -0.100 0.000 2.365 665 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 665 I C 0.783 176.802 176.117 -0.164 0.000 1.004 665 I CA 0.512 61.723 61.300 -0.147 0.000 1.311 665 I CB 1.086 38.995 38.000 -0.151 0.000 1.401 665 I HN 0.190 nan 8.210 nan 0.000 0.491 666 S N 6.574 122.139 115.700 -0.226 0.000 2.707 666 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 666 S C -0.830 173.703 174.600 -0.111 0.000 1.132 666 S CA -0.467 57.639 58.200 -0.157 0.000 1.046 666 S CB 0.507 63.615 63.200 -0.153 0.000 1.004 666 S HN 0.295 nan 8.310 nan 0.000 0.483 667 I N 4.493 125.050 120.570 -0.022 0.000 3.004 667 I HA 0.526 4.696 4.170 -0.000 0.000 0.305 667 I C -2.476 173.711 176.117 0.115 0.000 1.312 667 I CA -1.756 59.592 61.300 0.079 0.000 0.992 667 I CB 2.018 40.074 38.000 0.093 0.000 1.282 667 I HN 0.435 nan 8.210 nan 0.000 0.449 668 P HA 0.518 nan 4.420 nan 0.000 0.291 668 P C -1.100 176.364 177.300 0.274 0.000 1.304 668 P CA -0.585 62.617 63.100 0.169 0.000 0.929 668 P CB 1.065 32.837 31.700 0.120 0.000 1.317 669 S N 0.391 116.232 115.700 0.235 0.000 2.533 669 S HA 0.463 4.933 4.470 -0.000 0.000 0.282 669 S C 0.334 175.122 174.600 0.312 0.000 1.304 669 S CA -0.192 58.214 58.200 0.343 0.000 1.063 669 S CB 0.274 63.653 63.200 0.298 0.000 0.881 669 S HN 0.625 nan 8.310 nan 0.000 0.493 670 R N 1.721 122.526 120.500 0.509 0.000 2.929 670 R HA 0.389 4.729 4.340 -0.000 0.000 0.259 670 R C -1.589 174.804 176.300 0.155 0.000 1.141 670 R CA -0.821 55.361 56.100 0.137 0.000 0.991 670 R CB 0.618 30.710 30.300 -0.347 0.000 1.287 670 R HN 0.625 nan 8.270 nan 0.000 0.450 671 N N 0.885 119.388 118.700 -0.329 0.000 2.425 671 N HA 0.322 5.062 4.740 -0.000 0.000 0.268 671 N C -1.539 173.734 175.510 -0.395 0.000 0.991 671 N CA -0.127 52.815 53.050 -0.181 0.000 0.931 671 N CB 0.582 39.005 38.487 -0.106 0.000 1.130 671 N HN 0.408 nan 8.380 nan 0.000 0.493 672 W N 1.676 123.024 121.300 0.080 0.000 3.040 672 W HA 0.761 5.421 4.660 -0.000 0.000 0.344 672 W C -0.115 176.427 176.519 0.040 0.000 1.201 672 W CA -0.934 56.457 57.345 0.076 0.000 1.119 672 W CB 0.671 30.169 29.460 0.064 0.000 1.478 672 W HN 0.597 nan 8.180 nan 0.000 0.586 673 A N -0.269 122.709 122.820 0.264 0.000 2.393 673 A HA 0.551 4.871 4.320 -0.000 0.000 0.220 673 A C -0.290 177.376 177.584 0.135 0.000 2.881 673 A CA 0.140 52.276 52.037 0.165 0.000 1.592 673 A CB -1.046 18.032 19.000 0.129 0.000 0.194 673 A HN 1.982 nan 8.150 nan 0.000 0.569 674 A N -0.559 122.345 122.820 0.140 0.000 1.476 674 A HA 0.448 4.768 4.320 -0.000 0.000 0.244 674 A C -1.107 176.568 177.584 0.151 0.000 1.127 674 A CA 0.068 52.211 52.037 0.177 0.000 0.900 674 A CB -0.930 18.239 19.000 0.283 0.000 0.969 674 A HN 1.456 nan 8.150 nan 0.000 0.390 675 F N 4.522 124.222 119.950 -0.417 0.000 2.293 675 F HA 0.418 4.946 4.527 -0.000 0.000 0.370 675 F C 1.361 176.725 175.800 -0.726 0.000 1.090 675 F CA -0.767 56.839 58.000 -0.656 0.000 1.133 675 F CB 0.701 39.217 39.000 -0.806 0.000 1.360 675 F HN 0.689 nan 8.300 nan 0.000 0.489 676 R N 3.386 123.317 120.500 -0.948 0.000 2.226 676 R HA -0.042 4.298 4.340 -0.000 0.000 0.246 676 R C 0.738 176.858 176.300 -0.300 0.000 1.161 676 R CA 1.423 57.129 56.100 -0.657 0.000 0.997 676 R CB -0.638 29.073 30.300 -0.982 0.000 0.870 676 R HN 1.000 nan 8.270 nan 0.000 0.465 677 G N -2.746 105.852 108.800 -0.336 0.000 2.270 677 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.268 677 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.268 677 G C -0.940 173.948 174.900 -0.021 0.000 1.312 677 G CA -0.285 44.847 45.100 0.054 0.000 1.050 677 G HN 0.154 nan 8.290 nan 0.000 0.474 678 W N -0.420 121.093 121.300 0.355 0.000 3.846 678 W HA 0.837 5.497 4.660 -0.000 0.000 0.453 678 W C 0.419 177.070 176.519 0.220 0.000 1.244 678 W CA 0.377 57.899 57.345 0.295 0.000 0.870 678 W CB 1.212 30.841 29.460 0.281 0.000 2.310 678 W HN 2.049 nan 8.180 nan 0.000 0.658 679 A N 0.609 123.741 122.820 0.521 0.000 2.592 679 A HA 0.436 4.756 4.320 -0.000 0.000 0.298 679 A C -1.715 175.917 177.584 0.079 0.000 0.885 679 A CA -0.372 51.845 52.037 0.301 0.000 0.663 679 A CB -0.213 18.906 19.000 0.199 0.000 1.182 679 A HN 1.084 nan 8.150 nan 0.000 0.377 680 F N -0.051 119.794 119.950 -0.176 0.000 2.890 680 F HA 0.745 5.272 4.527 -0.000 0.000 0.326 680 F C -0.551 175.269 175.800 0.034 0.000 1.143 680 F CA 0.396 58.173 58.000 -0.372 0.000 0.906 680 F CB 0.517 39.343 39.000 -0.290 0.000 1.303 680 F HN 1.201 nan 8.300 nan 0.000 0.447 681 T N 1.242 115.448 114.554 -0.580 0.000 2.618 681 T HA 0.544 4.894 4.350 -0.000 0.000 0.286 681 T C -1.197 173.176 174.700 -0.545 0.000 1.027 681 T CA -1.002 60.782 62.100 -0.526 0.000 1.063 681 T CB 1.715 70.654 68.868 0.120 0.000 1.440 681 T HN 0.817 nan 8.240 nan 0.000 0.505 682 R N 1.186 121.496 120.500 -0.316 0.000 2.701 682 R HA 0.396 4.736 4.340 -0.000 0.000 0.281 682 R C -1.111 175.108 176.300 -0.136 0.000 1.367 682 R CA -0.350 55.627 56.100 -0.205 0.000 1.510 682 R CB -0.677 29.440 30.300 -0.305 0.000 1.306 682 R HN 0.548 nan 8.270 nan 0.000 0.682 683 L N 1.110 122.272 121.223 -0.101 0.000 2.290 683 L HA 0.488 4.828 4.340 -0.000 0.000 0.284 683 L C 0.358 177.180 176.870 -0.080 0.000 1.078 683 L CA -1.094 53.680 54.840 -0.111 0.000 0.815 683 L CB 0.561 42.543 42.059 -0.128 0.000 1.162 683 L HN -0.005 nan 8.230 nan 0.000 0.435 684 K N 1.446 121.802 120.400 -0.074 0.000 2.296 684 K HA -0.025 4.295 4.320 -0.000 0.000 0.259 684 K C 0.477 177.046 176.600 -0.052 0.000 1.000 684 K CA 0.185 56.435 56.287 -0.062 0.000 0.844 684 K CB -0.548 31.903 32.500 -0.080 0.000 1.008 684 K HN 0.715 nan 8.250 nan 0.000 0.532 685 T N -0.505 114.025 114.554 -0.040 0.000 3.145 685 T HA 0.096 4.446 4.350 -0.000 0.000 0.255 685 T C 1.271 175.977 174.700 0.010 0.000 1.039 685 T CA 0.207 62.295 62.100 -0.020 0.000 0.928 685 T CB 0.044 68.897 68.868 -0.025 0.000 1.029 685 T HN 0.627 nan 8.240 nan 0.000 0.554 686 K N 1.068 121.467 120.400 -0.003 0.000 2.504 686 K HA 0.231 4.551 4.320 -0.000 0.000 0.203 686 K C 1.084 177.704 176.600 0.034 0.000 1.350 686 K CA 0.035 56.345 56.287 0.037 0.000 0.953 686 K CB 0.689 33.171 32.500 -0.030 0.000 1.243 686 K HN -0.006 nan 8.250 nan 0.000 0.534 687 E N 1.197 121.315 120.200 -0.136 0.000 2.301 687 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 687 E C -1.115 175.545 176.600 0.101 0.000 1.171 687 E CA 0.242 56.463 56.400 -0.298 0.000 1.142 687 E CB 0.558 29.934 29.700 -0.539 0.000 1.218 687 E HN 0.030 nan 8.360 nan 0.000 0.448 688 T N 0.617 115.332 114.554 0.268 0.000 4.128 688 T HA 0.100 4.450 4.350 -0.000 0.000 0.376 688 T C -2.427 172.342 174.700 0.115 0.000 1.109 688 T CA -1.022 61.167 62.100 0.148 0.000 1.087 688 T CB 1.579 70.448 68.868 0.001 0.000 1.190 688 T HN -0.015 nan 8.240 nan 0.000 0.473 689 P HA 0.222 nan 4.420 nan 0.000 0.273 689 P C -0.201 177.077 177.300 -0.036 0.000 1.372 689 P CA 0.081 63.044 63.100 -0.228 0.000 0.736 689 P CB 0.341 31.597 31.700 -0.740 0.000 1.539 690 S N -1.758 113.913 115.700 -0.049 0.000 2.562 690 S HA 0.230 4.700 4.470 -0.000 0.000 0.274 690 S C -0.258 174.355 174.600 0.022 0.000 1.160 690 S CA -0.818 57.391 58.200 0.015 0.000 0.933 690 S CB 0.379 63.622 63.200 0.072 0.000 1.100 690 S HN 0.258 nan 8.310 nan 0.000 0.468 691 L N 4.235 125.474 121.223 0.025 0.000 2.737 691 L HA 0.322 4.662 4.340 -0.000 0.000 0.236 691 L C 1.592 178.490 176.870 0.047 0.000 1.219 691 L CA 0.667 55.532 54.840 0.042 0.000 1.021 691 L CB -0.742 41.338 42.059 0.035 0.000 1.291 691 L HN 1.055 nan 8.230 nan 0.000 0.470 692 G N -1.119 107.712 108.800 0.053 0.000 2.494 692 G HA2 0.034 3.994 3.960 -0.000 0.000 0.216 692 G HA3 0.034 3.994 3.960 -0.000 0.000 0.216 692 G C 0.662 175.594 174.900 0.053 0.000 1.140 692 G CA 0.435 45.568 45.100 0.056 0.000 0.801 692 G HN 0.441 nan 8.290 nan 0.000 0.536 693 S N -3.101 112.636 115.700 0.062 0.000 3.241 693 S HA 0.463 4.933 4.470 -0.000 0.000 0.305 693 S C 0.777 175.430 174.600 0.088 0.000 1.234 693 S CA 0.043 58.278 58.200 0.057 0.000 1.238 693 S CB 0.192 63.443 63.200 0.084 0.000 1.504 693 S HN 0.337 nan 8.310 nan 0.000 0.508 694 G N -0.308 108.579 108.800 0.145 0.000 3.228 694 G HA2 0.382 4.342 3.960 -0.000 0.000 0.245 694 G HA3 0.382 4.342 3.960 -0.000 0.000 0.245 694 G C -0.722 174.575 174.900 0.661 0.000 1.051 694 G CA 0.246 45.530 45.100 0.307 0.000 0.809 694 G HN 0.481 nan 8.290 nan 0.000 0.531 695 Y N 0.729 121.206 120.300 0.295 0.000 2.317 695 Y HA 0.496 5.046 4.550 -0.000 0.000 0.329 695 Y C -2.026 173.887 175.900 0.023 0.000 1.101 695 Y CA -1.087 57.072 58.100 0.098 0.000 1.228 695 Y CB 1.372 39.684 38.460 -0.247 0.000 1.123 695 Y HN -0.002 nan 8.280 nan 0.000 0.457 696 D N 8.128 128.432 120.400 -0.159 0.000 2.440 696 D HA 0.346 4.986 4.640 -0.000 0.000 0.239 696 D C -2.049 174.098 176.300 -0.254 0.000 1.084 696 D CA -1.898 52.031 54.000 -0.117 0.000 0.843 696 D CB 2.105 42.908 40.800 0.005 0.000 1.097 696 D HN 0.300 nan 8.370 nan 0.000 0.531 697 P HA -0.093 nan 4.420 nan 0.000 0.236 697 P C -0.203 176.862 177.300 -0.391 0.000 1.172 697 P CA 0.741 63.606 63.100 -0.393 0.000 0.759 697 P CB 0.085 31.540 31.700 -0.408 0.000 0.843 698 Y N -3.319 117.002 120.300 0.035 0.000 2.636 698 Y HA 0.256 4.806 4.550 -0.000 0.000 0.260 698 Y C 0.244 176.224 175.900 0.133 0.000 1.177 698 Y CA -1.175 56.960 58.100 0.059 0.000 1.209 698 Y CB -0.458 38.037 38.460 0.058 0.000 1.166 698 Y HN -0.077 nan 8.280 nan 0.000 0.531 699 Y N 1.767 122.085 120.300 0.029 0.000 2.960 699 Y HA 0.318 4.868 4.550 -0.000 0.000 0.343 699 Y C 0.359 176.271 175.900 0.020 0.000 1.106 699 Y CA -1.575 56.543 58.100 0.029 0.000 1.221 699 Y CB 0.151 38.605 38.460 -0.008 0.000 1.232 699 Y HN 0.054 nan 8.280 nan 0.000 0.577 700 T N 1.117 115.530 114.554 -0.234 0.000 3.400 700 T HA 0.372 4.722 4.350 -0.000 0.000 0.362 700 T C -1.087 173.511 174.700 -0.169 0.000 1.823 700 T CA -0.528 61.460 62.100 -0.187 0.000 1.374 700 T CB -0.591 68.242 68.868 -0.059 0.000 1.130 700 T HN 0.461 nan 8.240 nan 0.000 0.744 701 Y N 0.590 120.543 120.300 -0.578 0.000 2.125 701 Y HA 0.325 4.875 4.550 -0.000 0.000 0.312 701 Y C -0.072 175.543 175.900 -0.476 0.000 1.227 701 Y CA -0.684 57.161 58.100 -0.425 0.000 1.527 701 Y CB 0.560 38.818 38.460 -0.337 0.000 1.308 701 Y HN 0.298 nan 8.280 nan 0.000 0.375 702 S N 2.245 117.623 115.700 -0.537 0.000 2.575 702 S HA 0.173 4.643 4.470 -0.000 0.000 0.215 702 S C 1.506 175.843 174.600 -0.439 0.000 0.966 702 S CA 0.294 58.269 58.200 -0.374 0.000 0.911 702 S CB 0.583 63.644 63.200 -0.231 0.000 0.780 702 S HN 0.944 nan 8.310 nan 0.000 0.514 703 G N 2.111 110.406 108.800 -0.842 0.000 2.620 703 G HA2 0.276 4.236 3.960 -0.000 0.000 0.180 703 G HA3 0.276 4.236 3.960 -0.000 0.000 0.180 703 G C 0.452 175.160 174.900 -0.320 0.000 1.545 703 G CA 0.815 45.556 45.100 -0.597 0.000 0.866 703 G HN 0.500 nan 8.290 nan 0.000 0.432 704 S N -2.022 113.625 115.700 -0.088 0.000 3.888 704 S HA 0.628 5.098 4.470 -0.000 0.000 0.307 704 S C -1.546 173.236 174.600 0.304 0.000 1.122 704 S CA -0.336 57.934 58.200 0.116 0.000 1.197 704 S CB 0.873 64.067 63.200 -0.011 0.000 1.533 704 S HN 0.519 nan 8.310 nan 0.000 0.696 705 I N 0.146 120.762 120.570 0.077 0.000 2.828 705 I HA 0.367 4.537 4.170 -0.000 0.000 0.295 705 I C -2.645 173.308 176.117 -0.273 0.000 1.459 705 I CA -1.548 59.740 61.300 -0.020 0.000 1.015 705 I CB 1.493 39.528 38.000 0.057 0.000 1.345 705 I HN 0.260 nan 8.210 nan 0.000 0.449 706 P HA -0.159 nan 4.420 nan 0.000 0.219 706 P C 1.407 178.289 177.300 -0.698 0.000 1.146 706 P CA 1.371 64.024 63.100 -0.745 0.000 0.808 706 P CB 0.135 31.484 31.700 -0.585 0.000 0.779 707 Y N 0.129 120.179 120.300 -0.417 0.000 2.026 707 Y HA -0.254 4.296 4.550 -0.000 0.000 0.253 707 Y C 1.984 177.689 175.900 -0.325 0.000 1.098 707 Y CA 0.713 58.657 58.100 -0.259 0.000 1.074 707 Y CB -0.895 37.456 38.460 -0.181 0.000 0.971 707 Y HN -0.240 nan 8.280 nan 0.000 0.482 708 L N 0.841 121.933 121.223 -0.218 0.000 2.657 708 L HA -0.342 3.998 4.340 -0.000 0.000 0.237 708 L C 0.867 177.567 176.870 -0.283 0.000 1.222 708 L CA 2.350 57.008 54.840 -0.304 0.000 0.966 708 L CB -1.220 40.717 42.059 -0.204 0.000 1.046 708 L HN 0.547 nan 8.230 nan 0.000 0.402 709 D N 0.071 120.331 120.400 -0.233 0.000 2.621 709 D HA 0.245 4.885 4.640 -0.000 0.000 0.261 709 D C 1.243 177.440 176.300 -0.171 0.000 1.324 709 D CA 0.862 54.755 54.000 -0.178 0.000 0.965 709 D CB -0.700 40.008 40.800 -0.153 0.000 1.061 709 D HN 0.741 nan 8.370 nan 0.000 0.471 710 G N 0.126 108.783 108.800 -0.240 0.000 2.417 710 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.233 710 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.233 710 G C 0.826 175.422 174.900 -0.507 0.000 1.103 710 G CA 0.304 45.255 45.100 -0.249 0.000 0.647 710 G HN 0.736 nan 8.290 nan 0.000 0.512 711 T N -1.270 112.955 114.554 -0.548 0.000 2.856 711 T HA 0.264 4.614 4.350 -0.000 0.000 0.327 711 T C -0.130 174.050 174.700 -0.867 0.000 1.061 711 T CA 0.992 62.658 62.100 -0.724 0.000 1.131 711 T CB 0.634 69.094 68.868 -0.680 0.000 1.083 711 T HN 1.045 nan 8.240 nan 0.000 0.518 712 F N 2.711 122.429 119.950 -0.387 0.000 3.355 712 F HA 0.262 4.789 4.527 -0.000 0.000 0.418 712 F C -0.037 175.722 175.800 -0.069 0.000 1.094 712 F CA -1.491 56.334 58.000 -0.291 0.000 1.327 712 F CB -0.071 38.789 39.000 -0.233 0.000 2.583 712 F HN 0.601 nan 8.300 nan 0.000 0.694 713 Y N -0.222 120.148 120.300 0.118 0.000 2.176 713 Y HA 0.026 4.576 4.550 -0.000 0.000 0.291 713 Y C 1.958 177.978 175.900 0.200 0.000 1.122 713 Y CA 0.434 58.648 58.100 0.189 0.000 1.128 713 Y CB -0.690 37.873 38.460 0.172 0.000 1.005 713 Y HN 0.242 nan 8.280 nan 0.000 0.509 714 L N 1.543 122.798 121.223 0.053 0.000 2.749 714 L HA -0.088 4.252 4.340 -0.000 0.000 0.245 714 L C -0.105 176.533 176.870 -0.387 0.000 1.156 714 L CA 0.736 55.363 54.840 -0.355 0.000 0.890 714 L CB -1.269 40.589 42.059 -0.334 0.000 1.036 714 L HN 0.257 nan 8.230 nan 0.000 0.441 715 N N 0.883 119.493 118.700 -0.151 0.000 3.210 715 N HA -0.028 4.712 4.740 -0.000 0.000 0.314 715 N C 1.056 176.516 175.510 -0.084 0.000 1.291 715 N CA 0.171 53.014 53.050 -0.344 0.000 1.202 715 N CB -0.253 37.989 38.487 -0.408 0.000 1.475 715 N HN 0.480 nan 8.380 nan 0.000 0.554 716 H N -3.994 115.039 119.070 -0.060 0.000 1.861 716 H HA -0.085 4.471 4.556 -0.000 0.000 0.121 716 H C -0.138 175.221 175.328 0.052 0.000 0.908 716 H CA 0.083 56.240 56.048 0.182 0.000 0.466 716 H CB -0.476 29.388 29.762 0.170 0.000 0.372 716 H HN 0.137 nan 8.280 nan 0.000 0.255 717 T N 0.945 114.964 114.554 -0.890 0.000 4.302 717 T HA 0.286 4.636 4.350 -0.000 0.000 0.215 717 T C -0.059 174.356 174.700 -0.475 0.000 0.743 717 T CA 0.457 62.213 62.100 -0.573 0.000 2.138 717 T CB -1.732 66.755 68.868 -0.635 0.000 1.275 717 T HN 0.260 nan 8.240 nan 0.000 0.664 718 F N -0.473 119.501 119.950 0.039 0.000 2.706 718 F HA 0.550 5.077 4.527 -0.000 0.000 0.328 718 F C 1.139 176.950 175.800 0.018 0.000 1.123 718 F CA -1.617 56.379 58.000 -0.006 0.000 0.978 718 F CB 1.944 40.889 39.000 -0.091 0.000 1.404 718 F HN -0.115 nan 8.300 nan 0.000 0.497 719 K N 0.500 121.050 120.400 0.250 0.000 2.588 719 K HA 0.213 4.533 4.320 -0.000 0.000 0.216 719 K C -0.574 176.039 176.600 0.022 0.000 1.382 719 K CA 0.086 56.442 56.287 0.114 0.000 1.008 719 K CB 2.101 34.666 32.500 0.109 0.000 1.138 719 K HN 0.562 nan 8.250 nan 0.000 0.619 720 K N 0.007 120.361 120.400 -0.077 0.000 4.175 720 K HA 0.074 4.394 4.320 -0.000 0.000 0.512 720 K C -2.017 174.340 176.600 -0.405 0.000 1.068 720 K CA -0.416 55.767 56.287 -0.173 0.000 0.906 720 K CB 0.775 33.242 32.500 -0.055 0.000 1.553 720 K HN -0.167 nan 8.250 nan 0.000 0.640 721 V N 1.157 120.785 119.914 -0.476 0.000 2.818 721 V HA 0.419 4.539 4.120 -0.000 0.000 0.256 721 V C -0.625 175.076 176.094 -0.654 0.000 0.925 721 V CA -0.348 61.551 62.300 -0.668 0.000 0.908 721 V CB 0.991 32.330 31.823 -0.807 0.000 1.052 721 V HN 0.822 nan 8.190 nan 0.000 0.498 722 A N 4.780 127.441 122.820 -0.266 0.000 2.331 722 A HA 0.828 5.148 4.320 -0.000 0.000 0.283 722 A C -0.105 177.368 177.584 -0.185 0.000 1.142 722 A CA -0.238 51.865 52.037 0.111 0.000 0.812 722 A CB 0.522 19.560 19.000 0.063 0.000 1.074 722 A HN 0.751 nan 8.150 nan 0.000 0.497 723 I N 3.502 124.091 120.570 0.032 0.000 2.661 723 I HA 0.073 4.243 4.170 -0.000 0.000 0.292 723 I C 0.437 176.478 176.117 -0.128 0.000 1.189 723 I CA -0.205 60.960 61.300 -0.224 0.000 1.123 723 I CB 0.440 38.310 38.000 -0.217 0.000 1.709 723 I HN 0.763 nan 8.210 nan 0.000 0.566 724 T N 0.543 115.012 114.554 -0.141 0.000 2.800 724 T HA 0.042 4.392 4.350 -0.000 0.000 0.266 724 T C -0.012 174.671 174.700 -0.029 0.000 0.939 724 T CA -0.188 61.877 62.100 -0.059 0.000 1.199 724 T CB -0.486 68.334 68.868 -0.080 0.000 0.899 724 T HN 0.092 nan 8.240 nan 0.000 0.555 725 F N 3.966 123.920 119.950 0.007 0.000 2.556 725 F HA 0.181 4.708 4.527 0.000 0.000 0.344 725 F C 1.217 177.004 175.800 -0.022 0.000 1.255 725 F CA -0.548 57.449 58.000 -0.005 0.000 1.091 725 F CB -1.037 38.004 39.000 0.068 0.000 1.325 725 F HN 0.756 nan 8.300 nan 0.000 0.627 726 D N 1.493 122.059 120.400 0.277 0.000 2.880 726 D HA -0.300 4.340 4.640 -0.000 0.000 0.198 726 D C 1.384 177.729 176.300 0.075 0.000 1.059 726 D CA 1.470 55.558 54.000 0.145 0.000 1.019 726 D CB -0.830 40.065 40.800 0.158 0.000 1.112 726 D HN 0.644 nan 8.370 nan 0.000 0.424 727 S N -2.745 113.010 115.700 0.090 0.000 2.261 727 S HA -0.280 4.190 4.470 -0.000 0.000 0.247 727 S C 1.294 175.922 174.600 0.047 0.000 1.195 727 S CA 2.029 60.256 58.200 0.045 0.000 1.464 727 S CB -1.297 61.907 63.200 0.006 0.000 1.835 727 S HN 0.430 nan 8.310 nan 0.000 0.598 728 S N 0.129 115.865 115.700 0.060 0.000 2.310 728 S HA 0.133 4.603 4.470 -0.000 0.000 0.205 728 S C 0.967 175.607 174.600 0.067 0.000 1.020 728 S CA 1.004 59.232 58.200 0.047 0.000 0.939 728 S CB 0.089 63.314 63.200 0.041 0.000 0.919 728 S HN 0.508 nan 8.310 nan 0.000 0.501 729 V N 2.910 122.875 119.914 0.085 0.000 2.588 729 V HA 0.161 4.281 4.120 -0.000 0.000 0.329 729 V C 0.414 176.648 176.094 0.234 0.000 1.688 729 V CA -0.115 62.253 62.300 0.114 0.000 1.686 729 V CB -1.312 30.534 31.823 0.039 0.000 1.383 729 V HN 0.261 nan 8.190 nan 0.000 0.492 730 S N 1.957 117.759 115.700 0.169 0.000 2.752 730 S HA 0.020 4.490 4.470 -0.000 0.000 0.329 730 S C -0.068 174.650 174.600 0.197 0.000 1.204 730 S CA -0.161 58.140 58.200 0.169 0.000 1.252 730 S CB -0.376 62.846 63.200 0.036 0.000 1.053 730 S HN 0.649 nan 8.310 nan 0.000 0.533 731 W N 5.838 127.218 121.300 0.134 0.000 2.303 731 W HA 0.308 4.968 4.660 -0.000 0.000 0.334 731 W C -1.236 175.250 176.519 -0.054 0.000 1.197 731 W CA -1.861 55.553 57.345 0.116 0.000 1.262 731 W CB 0.210 29.939 29.460 0.447 0.000 1.153 731 W HN 0.423 nan 8.180 nan 0.000 0.596 732 P HA -0.068 nan 4.420 nan 0.000 0.208 732 P C 0.581 177.230 177.300 -1.086 0.000 1.195 732 P CA 2.452 64.990 63.100 -0.937 0.000 0.927 732 P CB 0.016 31.252 31.700 -0.773 0.000 0.778 733 G N -0.441 107.981 108.800 -0.630 0.000 2.642 733 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.231 733 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.231 733 G C 0.301 174.975 174.900 -0.375 0.000 1.338 733 G CA 0.171 45.023 45.100 -0.413 0.000 0.883 733 G HN 0.378 nan 8.290 nan 0.000 0.570 734 N N -0.272 118.301 118.700 -0.211 0.000 2.809 734 N HA -0.226 4.514 4.740 -0.000 0.000 0.244 734 N C 0.537 175.965 175.510 -0.137 0.000 1.018 734 N CA 2.836 55.807 53.050 -0.131 0.000 0.917 734 N CB -0.500 37.926 38.487 -0.101 0.000 1.130 734 N HN 1.758 nan 8.380 nan 0.000 0.591 735 D N -1.824 118.466 120.400 -0.183 0.000 2.857 735 D HA -0.094 4.546 4.640 -0.000 0.000 0.230 735 D C 0.713 176.908 176.300 -0.175 0.000 1.046 735 D CA 0.391 54.293 54.000 -0.162 0.000 0.780 735 D CB -0.596 40.139 40.800 -0.109 0.000 1.054 735 D HN 0.257 nan 8.370 nan 0.000 0.438 736 R N -0.492 119.862 120.500 -0.243 0.000 2.254 736 R HA 0.202 4.542 4.340 -0.000 0.000 0.195 736 R C 1.113 177.290 176.300 -0.205 0.000 0.957 736 R CA 0.742 56.702 56.100 -0.233 0.000 1.024 736 R CB 0.041 30.141 30.300 -0.333 0.000 0.952 736 R HN 0.370 nan 8.270 nan 0.000 0.484 737 L N -2.173 118.921 121.223 -0.215 0.000 2.931 737 L HA 0.470 4.810 4.340 -0.000 0.000 0.237 737 L C 0.157 176.931 176.870 -0.160 0.000 1.986 737 L CA -0.880 53.849 54.840 -0.186 0.000 2.186 737 L CB -0.567 41.363 42.059 -0.215 0.000 2.326 737 L HN -0.287 nan 8.230 nan 0.000 0.575 738 L N 1.600 122.724 121.223 -0.165 0.000 2.839 738 L HA 0.584 4.924 4.340 -0.000 0.000 0.259 738 L C -0.924 175.834 176.870 -0.187 0.000 1.369 738 L CA 0.506 55.250 54.840 -0.160 0.000 0.845 738 L CB -1.135 40.824 42.059 -0.166 0.000 1.181 738 L HN 0.984 nan 8.230 nan 0.000 0.529 739 T N -1.671 112.766 114.554 -0.194 0.000 3.849 739 T HA -0.000 4.350 4.350 -0.000 0.000 0.150 739 T C -2.108 172.424 174.700 -0.281 0.000 0.483 739 T CA -0.359 61.612 62.100 -0.215 0.000 0.884 739 T CB -0.893 67.846 68.868 -0.215 0.000 1.400 739 T HN 0.063 nan 8.240 nan 0.000 0.525 740 P HA -0.184 nan 4.420 nan 0.000 0.222 740 P C 0.798 177.897 177.300 -0.336 0.000 1.139 740 P CA 1.954 64.895 63.100 -0.266 0.000 0.794 740 P CB -0.206 31.380 31.700 -0.190 0.000 0.750 741 N N -4.632 113.833 118.700 -0.390 0.000 1.899 741 N HA 0.071 4.811 4.740 -0.000 0.000 0.223 741 N C -0.123 174.988 175.510 -0.665 0.000 1.411 741 N CA -0.052 52.720 53.050 -0.464 0.000 0.737 741 N CB 0.092 38.425 38.487 -0.257 0.000 1.100 741 N HN 0.032 nan 8.380 nan 0.000 0.527 742 E N 0.086 119.911 120.200 -0.625 0.000 2.281 742 E HA 0.742 5.092 4.350 -0.000 0.000 0.257 742 E C -1.332 174.995 176.600 -0.456 0.000 0.971 742 E CA -0.911 55.213 56.400 -0.459 0.000 0.839 742 E CB 1.595 31.202 29.700 -0.156 0.000 1.238 742 E HN 0.043 nan 8.360 nan 0.000 0.412 743 F N -1.205 118.726 119.950 -0.031 0.000 2.643 743 F HA 0.337 4.864 4.527 -0.000 0.000 0.310 743 F C -1.044 174.810 175.800 0.090 0.000 1.017 743 F CA -1.218 56.816 58.000 0.056 0.000 1.019 743 F CB -0.671 38.404 39.000 0.125 0.000 1.269 743 F HN 0.380 nan 8.300 nan 0.000 0.513 744 E N 2.179 122.553 120.200 0.291 0.000 2.334 744 E HA 0.844 5.194 4.350 -0.000 0.000 0.256 744 E C 0.008 176.639 176.600 0.052 0.000 0.958 744 E CA -0.991 55.478 56.400 0.115 0.000 0.821 744 E CB 2.664 32.419 29.700 0.093 0.000 1.269 744 E HN 0.647 nan 8.360 nan 0.000 0.413 745 I N -0.427 120.095 120.570 -0.081 0.000 4.541 745 I HA 0.282 4.452 4.170 -0.000 0.000 0.337 745 I C -0.407 175.591 176.117 -0.197 0.000 1.338 745 I CA -0.142 61.017 61.300 -0.234 0.000 1.244 745 I CB 0.627 38.379 38.000 -0.412 0.000 1.417 745 I HN 0.259 nan 8.210 nan 0.000 0.501 746 K N 1.303 121.688 120.400 -0.026 0.000 2.688 746 K HA 0.474 4.794 4.320 -0.000 0.000 0.270 746 K C -1.412 175.247 176.600 0.098 0.000 1.013 746 K CA -0.524 55.801 56.287 0.062 0.000 0.924 746 K CB 2.055 34.640 32.500 0.142 0.000 1.378 746 K HN -0.039 nan 8.250 nan 0.000 0.402 747 R N 0.796 121.368 120.500 0.119 0.000 3.212 747 R HA 0.570 4.910 4.340 -0.000 0.000 0.240 747 R C -0.848 175.520 176.300 0.115 0.000 1.470 747 R CA -1.044 55.124 56.100 0.114 0.000 1.041 747 R CB 1.997 32.369 30.300 0.120 0.000 1.494 747 R HN 0.516 nan 8.270 nan 0.000 0.502 748 S N -0.459 115.303 115.700 0.103 0.000 2.621 748 S HA 0.167 4.637 4.470 -0.000 0.000 0.302 748 S C 1.212 175.864 174.600 0.087 0.000 1.093 748 S CA -0.635 57.622 58.200 0.094 0.000 1.017 748 S CB 1.818 65.068 63.200 0.082 0.000 1.077 748 S HN 0.394 nan 8.310 nan 0.000 0.517 749 V N 2.369 122.330 119.914 0.080 0.000 2.680 749 V HA -0.240 3.880 4.120 -0.000 0.000 0.267 749 V C 1.410 177.538 176.094 0.058 0.000 1.137 749 V CA 2.049 64.390 62.300 0.068 0.000 1.143 749 V CB -0.715 31.144 31.823 0.059 0.000 0.711 749 V HN 0.723 nan 8.190 nan 0.000 0.490 750 D N 0.489 120.925 120.400 0.061 0.000 2.269 750 D HA 0.051 4.691 4.640 -0.000 0.000 0.220 750 D C 1.998 178.337 176.300 0.064 0.000 0.962 750 D CA 1.180 55.212 54.000 0.054 0.000 0.884 750 D CB -0.392 40.441 40.800 0.054 0.000 1.023 750 D HN 0.509 nan 8.370 nan 0.000 0.484 751 G N 1.504 110.357 108.800 0.089 0.000 3.272 751 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.220 751 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.220 751 G C 0.330 175.313 174.900 0.138 0.000 1.130 751 G CA 0.302 45.481 45.100 0.131 0.000 1.657 751 G HN -0.059 nan 8.290 nan 0.000 0.557 752 E N -0.249 119.985 120.200 0.056 0.000 2.176 752 E HA 0.539 4.889 4.350 -0.000 0.000 0.267 752 E C 0.473 176.972 176.600 -0.169 0.000 0.893 752 E CA -0.230 56.168 56.400 -0.004 0.000 0.761 752 E CB 1.551 31.260 29.700 0.015 0.000 1.133 752 E HN 0.195 nan 8.360 nan 0.000 0.409 753 G N 3.318 111.891 108.800 -0.378 0.000 4.589 753 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 753 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 753 G C -1.066 173.275 174.900 -0.931 0.000 0.678 753 G CA -0.332 44.343 45.100 -0.708 0.000 0.859 753 G HN 0.361 nan 8.290 nan 0.000 0.650 754 Y N -0.468 119.849 120.300 0.030 0.000 2.390 754 Y HA 0.672 5.222 4.550 -0.000 0.000 0.324 754 Y C 0.047 175.985 175.900 0.064 0.000 1.151 754 Y CA -1.452 56.670 58.100 0.036 0.000 1.053 754 Y CB 1.419 39.899 38.460 0.033 0.000 1.277 754 Y HN -0.043 nan 8.280 nan 0.000 0.432 755 N N 0.885 119.713 118.700 0.214 0.000 3.608 755 N HA -0.036 4.704 4.740 -0.000 0.000 0.134 755 N C -0.987 174.630 175.510 0.177 0.000 0.977 755 N CA 0.049 53.208 53.050 0.183 0.000 3.004 755 N CB 0.805 39.380 38.487 0.148 0.000 1.225 755 N HN 0.452 nan 8.380 nan 0.000 0.796 756 V N 1.150 121.179 119.914 0.193 0.000 3.524 756 V HA 0.152 4.272 4.120 -0.000 0.000 0.303 756 V C 1.518 177.755 176.094 0.238 0.000 1.130 756 V CA 2.182 64.603 62.300 0.202 0.000 1.225 756 V CB 1.045 32.995 31.823 0.211 0.000 1.056 756 V HN 0.641 nan 8.190 nan 0.000 0.495 757 A N 1.428 124.380 122.820 0.220 0.000 3.410 757 A HA -0.209 4.111 4.320 -0.000 0.000 0.253 757 A C 0.887 178.545 177.584 0.124 0.000 1.178 757 A CA 1.347 53.491 52.037 0.178 0.000 1.334 757 A CB -1.720 17.397 19.000 0.196 0.000 1.097 757 A HN 1.604 nan 8.150 nan 0.000 0.921 758 Q N -4.022 115.855 119.800 0.128 0.000 2.360 758 Q HA -0.312 4.028 4.340 -0.000 0.000 0.192 758 Q C 1.118 177.195 176.000 0.129 0.000 0.615 758 Q CA 1.952 57.819 55.803 0.108 0.000 1.355 758 Q CB -3.285 25.500 28.738 0.079 0.000 1.324 758 Q HN 2.048 nan 8.270 nan 0.000 0.885 759 C N -0.340 119.058 119.300 0.163 0.000 1.486 759 C HA 0.435 4.895 4.460 -0.000 0.000 0.114 759 C C 1.755 176.878 174.990 0.221 0.000 2.960 759 C CA 0.933 60.075 59.018 0.205 0.000 1.826 759 C CB -0.433 27.474 27.740 0.279 0.000 2.348 759 C HN 0.683 nan 8.230 nan 0.000 0.242 760 N N -1.345 117.527 118.700 0.287 0.000 2.266 760 N HA 0.072 4.812 4.740 -0.000 0.000 0.217 760 N C 0.628 176.233 175.510 0.158 0.000 1.211 760 N CA -0.228 52.983 53.050 0.268 0.000 0.881 760 N CB -0.029 38.688 38.487 0.384 0.000 1.153 760 N HN 0.737 nan 8.380 nan 0.000 0.489 761 M N 3.618 123.237 119.600 0.032 0.000 2.513 761 M HA 0.053 4.533 4.480 -0.000 0.000 0.341 761 M C -0.255 176.100 176.300 0.092 0.000 1.689 761 M CA 0.382 55.596 55.300 -0.142 0.000 1.202 761 M CB -0.740 31.738 32.600 -0.205 0.000 1.996 761 M HN 0.346 nan 8.290 nan 0.000 0.458 762 T N 3.359 117.977 114.554 0.107 0.000 2.897 762 T HA -0.084 4.266 4.350 -0.000 0.000 0.304 762 T C 1.048 175.887 174.700 0.231 0.000 1.051 762 T CA 0.305 62.512 62.100 0.178 0.000 1.132 762 T CB 0.459 69.423 68.868 0.160 0.000 1.066 762 T HN 0.809 nan 8.240 nan 0.000 0.518 763 K N 2.385 122.934 120.400 0.249 0.000 2.032 763 K HA -0.215 4.105 4.320 -0.000 0.000 0.218 763 K C 1.846 178.564 176.600 0.195 0.000 1.054 763 K CA 2.549 58.972 56.287 0.227 0.000 0.941 763 K CB -0.749 31.894 32.500 0.237 0.000 0.720 763 K HN 0.869 nan 8.250 nan 0.000 0.449 764 D N -0.547 119.925 120.400 0.120 0.000 2.230 764 D HA -0.287 4.353 4.640 -0.000 0.000 0.189 764 D C 1.459 177.871 176.300 0.187 0.000 1.006 764 D CA 1.794 55.833 54.000 0.064 0.000 0.853 764 D CB -0.463 40.335 40.800 -0.004 0.000 0.959 764 D HN 0.393 nan 8.370 nan 0.000 0.449 765 W N 0.580 121.939 121.300 0.099 0.000 2.274 765 W HA -0.368 4.292 4.660 -0.000 0.000 0.333 765 W C 0.955 177.595 176.519 0.203 0.000 1.290 765 W CA 1.731 59.139 57.345 0.106 0.000 1.208 765 W CB -0.469 29.021 29.460 0.049 0.000 1.155 765 W HN 0.102 nan 8.180 nan 0.000 0.462 766 F N -1.369 118.600 119.950 0.032 0.000 2.183 766 F HA -0.444 4.083 4.527 -0.000 0.000 0.318 766 F C 1.491 177.139 175.800 -0.253 0.000 0.140 766 F CA 1.299 59.255 58.000 -0.073 0.000 0.912 766 F CB -1.912 37.034 39.000 -0.090 0.000 4.135 766 F HN 0.112 nan 8.300 nan 0.000 0.137 767 L N 0.211 121.012 121.223 -0.705 0.000 1.938 767 L HA -0.070 4.270 4.340 -0.000 0.000 0.244 767 L C 1.523 178.117 176.870 -0.460 0.000 1.070 767 L CA 2.691 57.196 54.840 -0.559 0.000 0.916 767 L CB -0.495 41.341 42.059 -0.371 0.000 0.927 767 L HN 0.980 nan 8.230 nan 0.000 0.437 768 V N -1.752 117.933 119.914 -0.383 0.000 2.886 768 V HA -0.270 3.850 4.120 -0.000 0.000 0.162 768 V C -0.671 175.348 176.094 -0.126 0.000 0.448 768 V CA 1.167 63.233 62.300 -0.390 0.000 1.186 768 V CB -2.050 29.308 31.823 -0.775 0.000 1.373 768 V HN 0.789 nan 8.190 nan 0.000 1.100 769 Q N -1.628 118.101 119.800 -0.120 0.000 3.761 769 Q HA 0.663 5.003 4.340 -0.000 0.000 0.206 769 Q C -0.181 175.792 176.000 -0.046 0.000 0.900 769 Q CA -0.179 55.601 55.803 -0.038 0.000 0.737 769 Q CB 1.579 30.256 28.738 -0.101 0.000 1.454 769 Q HN 0.413 nan 8.270 nan 0.000 0.448 770 M N -0.310 119.303 119.600 0.021 0.000 1.897 770 M HA 0.131 4.611 4.480 -0.000 0.000 0.193 770 M C 0.713 177.077 176.300 0.107 0.000 2.097 770 M CA 0.312 55.650 55.300 0.064 0.000 0.920 770 M CB -0.820 31.794 32.600 0.024 0.000 1.698 770 M HN 0.356 nan 8.290 nan 0.000 0.639 771 L N 1.007 122.272 121.223 0.071 0.000 2.351 771 L HA 0.038 4.378 4.340 -0.000 0.000 0.220 771 L C 1.378 178.338 176.870 0.150 0.000 1.127 771 L CA 1.501 56.403 54.840 0.103 0.000 0.786 771 L CB -1.551 40.546 42.059 0.063 0.000 0.914 771 L HN 0.437 nan 8.230 nan 0.000 0.443 772 A N -0.494 122.425 122.820 0.165 0.000 3.260 772 A HA 0.447 4.767 4.320 -0.000 0.000 0.268 772 A C 0.597 178.275 177.584 0.156 0.000 1.491 772 A CA -0.091 52.073 52.037 0.211 0.000 1.181 772 A CB -0.564 18.623 19.000 0.312 0.000 1.137 772 A HN 0.440 nan 8.150 nan 0.000 0.642 773 N N -1.376 117.383 118.700 0.099 0.000 2.555 773 N HA -0.116 4.624 4.740 -0.000 0.000 0.366 773 N C -1.446 173.991 175.510 -0.121 0.000 1.207 773 N CA 0.200 53.228 53.050 -0.036 0.000 2.617 773 N CB -0.288 38.207 38.487 0.013 0.000 1.368 773 N HN 0.208 nan 8.380 nan 0.000 1.612 774 Y N 3.616 124.023 120.300 0.178 0.000 2.595 774 Y HA 0.405 4.955 4.550 -0.000 0.000 0.336 774 Y C 1.063 177.047 175.900 0.140 0.000 0.996 774 Y CA -0.747 57.452 58.100 0.165 0.000 1.260 774 Y CB 0.149 38.713 38.460 0.172 0.000 1.108 774 Y HN 0.241 nan 8.280 nan 0.000 0.509 775 N N 2.321 121.188 118.700 0.278 0.000 2.657 775 N HA -0.176 4.564 4.740 -0.000 0.000 0.201 775 N C 0.112 175.708 175.510 0.143 0.000 1.103 775 N CA 0.879 54.037 53.050 0.179 0.000 0.942 775 N CB -0.286 38.308 38.487 0.177 0.000 0.958 775 N HN 0.596 nan 8.380 nan 0.000 0.452 776 I N -0.367 120.332 120.570 0.214 0.000 2.578 776 I HA 0.131 4.301 4.170 -0.000 0.000 0.286 776 I C 1.414 177.655 176.117 0.206 0.000 1.126 776 I CA -0.167 61.250 61.300 0.194 0.000 1.380 776 I CB 0.320 38.515 38.000 0.325 0.000 1.408 776 I HN -0.065 nan 8.210 nan 0.000 0.532 777 G N 4.160 112.976 108.800 0.027 0.000 2.607 777 G HA2 0.050 4.010 3.960 -0.000 0.000 0.162 777 G HA3 0.050 4.010 3.960 -0.000 0.000 0.162 777 G C 0.601 175.464 174.900 -0.061 0.000 1.583 777 G CA -0.068 45.011 45.100 -0.034 0.000 0.779 777 G HN 0.459 nan 8.290 nan 0.000 0.747 778 Y N 2.706 123.030 120.300 0.039 0.000 2.030 778 Y HA -0.212 4.338 4.550 -0.000 0.000 0.272 778 Y C 2.818 178.657 175.900 -0.101 0.000 1.185 778 Y CA 1.830 59.926 58.100 -0.006 0.000 1.120 778 Y CB -0.960 37.498 38.460 -0.004 0.000 0.955 778 Y HN 0.350 nan 8.280 nan 0.000 0.495 779 Q N 0.319 120.121 119.800 0.003 0.000 2.668 779 Q HA 0.274 4.614 4.340 -0.000 0.000 0.441 779 Q C 1.144 176.839 176.000 -0.508 0.000 1.115 779 Q CA 0.467 56.168 55.803 -0.170 0.000 0.690 779 Q CB -0.694 27.961 28.738 -0.139 0.000 4.428 779 Q HN 0.329 nan 8.270 nan 0.000 0.367 780 G N -0.624 107.805 108.800 -0.619 0.000 2.857 780 G HA2 0.638 4.598 3.960 -0.000 0.000 0.217 780 G HA3 0.638 4.598 3.960 -0.000 0.000 0.217 780 G C -1.033 173.139 174.900 -1.212 0.000 1.357 780 G CA -0.916 43.571 45.100 -1.022 0.000 1.033 780 G HN 0.500 nan 8.290 nan 0.000 0.571 781 F N -1.274 118.633 119.950 -0.072 0.000 2.678 781 F HA 0.581 5.108 4.527 -0.000 0.000 0.308 781 F C -0.638 175.163 175.800 0.002 0.000 1.118 781 F CA -1.419 56.544 58.000 -0.062 0.000 0.959 781 F CB 1.492 40.496 39.000 0.007 0.000 1.305 781 F HN 0.652 nan 8.300 nan 0.000 0.443 782 Y N 0.352 120.704 120.300 0.086 0.000 3.345 782 Y HA 0.795 5.345 4.550 -0.000 0.000 0.279 782 Y C -0.681 175.116 175.900 -0.171 0.000 1.980 782 Y CA -2.701 55.375 58.100 -0.040 0.000 0.912 782 Y CB 0.275 38.702 38.460 -0.055 0.000 1.460 782 Y HN 0.492 nan 8.280 nan 0.000 0.605 783 I N -0.098 120.337 120.570 -0.224 0.000 2.871 783 I HA 0.328 4.498 4.170 -0.000 0.000 0.284 783 I C -2.461 173.257 176.117 -0.666 0.000 1.390 783 I CA -1.630 59.390 61.300 -0.467 0.000 0.958 783 I CB 1.053 38.784 38.000 -0.447 0.000 1.618 783 I HN 0.146 nan 8.210 nan 0.000 0.595 784 P HA -0.308 nan 4.420 nan 0.000 0.229 784 P C 0.460 177.329 177.300 -0.718 0.000 1.073 784 P CA 2.514 65.042 63.100 -0.953 0.000 1.022 784 P CB 0.217 31.516 31.700 -0.669 0.000 0.752 785 E N -6.164 113.739 120.200 -0.494 0.000 6.022 785 E HA -0.037 4.313 4.350 -0.000 0.000 0.552 785 E C 0.238 176.724 176.600 -0.189 0.000 2.182 785 E CA 0.407 56.621 56.400 -0.310 0.000 3.046 785 E CB -1.452 28.080 29.700 -0.280 0.000 0.782 785 E HN -0.222 nan 8.360 nan 0.000 0.266 786 S N -0.958 114.708 115.700 -0.058 0.000 2.595 786 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 786 S C 1.016 175.688 174.600 0.120 0.000 0.974 786 S CA 1.440 59.664 58.200 0.040 0.000 0.942 786 S CB -0.616 62.627 63.200 0.073 0.000 0.766 786 S HN 0.404 nan 8.310 nan 0.000 0.536 787 Y N -1.220 119.070 120.300 -0.016 0.000 2.652 787 Y HA 0.546 5.096 4.550 -0.000 0.000 0.275 787 Y C 1.676 177.591 175.900 0.024 0.000 1.133 787 Y CA -0.104 57.998 58.100 0.004 0.000 1.246 787 Y CB -0.111 38.349 38.460 0.001 0.000 1.334 787 Y HN -0.108 nan 8.280 nan 0.000 0.493 788 K N 0.347 120.548 120.400 -0.332 0.000 2.354 788 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 788 K C -0.417 176.134 176.600 -0.083 0.000 1.045 788 K CA 0.426 56.606 56.287 -0.178 0.000 1.026 788 K CB 0.570 32.862 32.500 -0.347 0.000 0.866 788 K HN 0.225 nan 8.250 nan 0.000 0.530 789 D N 1.061 121.363 120.400 -0.163 0.000 2.505 789 D HA 0.170 4.810 4.640 -0.000 0.000 0.250 789 D C -0.681 175.662 176.300 0.071 0.000 1.164 789 D CA -0.362 53.582 54.000 -0.093 0.000 0.870 789 D CB 0.863 41.452 40.800 -0.351 0.000 1.160 789 D HN -0.110 nan 8.370 nan 0.000 0.549 790 R N 2.583 123.212 120.500 0.214 0.000 3.055 790 R HA 0.384 4.724 4.340 -0.000 0.000 0.231 790 R C 1.305 177.740 176.300 0.225 0.000 1.443 790 R CA -0.877 55.332 56.100 0.182 0.000 1.063 790 R CB 0.239 30.623 30.300 0.141 0.000 1.514 790 R HN 0.424 nan 8.270 nan 0.000 0.510 791 M N 0.259 119.964 119.600 0.176 0.000 4.528 791 M HA -0.214 4.266 4.480 -0.000 0.000 0.325 791 M C 1.446 177.890 176.300 0.240 0.000 1.096 791 M CA 1.747 57.161 55.300 0.190 0.000 1.056 791 M CB -0.466 32.220 32.600 0.143 0.000 1.059 791 M HN 0.449 nan 8.290 nan 0.000 0.755 792 Y N 1.134 121.432 120.300 -0.004 0.000 2.279 792 Y HA -0.316 4.234 4.550 -0.000 0.000 0.278 792 Y C 2.813 178.601 175.900 -0.186 0.000 1.243 792 Y CA 1.655 59.691 58.100 -0.107 0.000 1.223 792 Y CB -1.512 36.893 38.460 -0.093 0.000 0.962 792 Y HN 0.485 nan 8.280 nan 0.000 0.543 793 S N -1.528 114.244 115.700 0.121 0.000 2.414 793 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 793 S C 0.768 175.421 174.600 0.088 0.000 1.041 793 S CA 1.924 60.173 58.200 0.083 0.000 1.114 793 S CB -0.260 63.132 63.200 0.320 0.000 1.064 793 S HN 0.475 nan 8.310 nan 0.000 0.420 794 F N -2.493 117.624 119.950 0.278 0.000 3.106 794 F HA 0.153 4.680 4.527 -0.000 0.000 0.294 794 F C -0.154 175.843 175.800 0.328 0.000 1.078 794 F CA -0.678 57.465 58.000 0.238 0.000 0.744 794 F CB -0.684 38.401 39.000 0.142 0.000 1.829 794 F HN 0.238 nan 8.300 nan 0.000 0.452 795 F N 0.071 120.272 119.950 0.417 0.000 2.699 795 F HA 0.412 4.939 4.527 -0.000 0.000 0.295 795 F C 1.616 177.547 175.800 0.219 0.000 1.052 795 F CA 0.692 58.854 58.000 0.271 0.000 1.239 795 F CB 0.025 39.120 39.000 0.159 0.000 1.018 795 F HN -0.185 nan 8.300 nan 0.000 0.627 796 R N 0.854 121.324 120.500 -0.049 0.000 2.346 796 R HA 0.146 4.486 4.340 -0.000 0.000 0.225 796 R C 1.113 177.402 176.300 -0.019 0.000 0.987 796 R CA 0.436 56.463 56.100 -0.122 0.000 1.106 796 R CB -0.551 29.793 30.300 0.073 0.000 1.090 796 R HN 0.451 nan 8.270 nan 0.000 0.502 797 N N -1.137 117.597 118.700 0.057 0.000 2.684 797 N HA 0.034 4.774 4.740 -0.000 0.000 0.220 797 N C -0.376 175.293 175.510 0.265 0.000 1.037 797 N CA 0.137 53.305 53.050 0.198 0.000 0.975 797 N CB 0.347 39.067 38.487 0.388 0.000 1.426 797 N HN -0.040 nan 8.380 nan 0.000 0.450 798 F N 2.341 122.315 119.950 0.040 0.000 2.440 798 F HA 0.379 4.906 4.527 -0.000 0.000 0.328 798 F C -0.984 174.782 175.800 -0.058 0.000 1.070 798 F CA -0.619 57.382 58.000 0.002 0.000 1.011 798 F CB 1.002 40.003 39.000 0.002 0.000 1.226 798 F HN 0.048 nan 8.300 nan 0.000 0.491 799 Q N 4.661 124.098 119.800 -0.605 0.000 2.613 799 Q HA 0.229 4.569 4.340 -0.000 0.000 0.231 799 Q C -3.058 172.377 176.000 -0.941 0.000 0.879 799 Q CA -1.538 53.854 55.803 -0.684 0.000 1.083 799 Q CB 1.669 30.265 28.738 -0.237 0.000 1.588 799 Q HN 0.274 nan 8.270 nan 0.000 0.500 800 P HA 0.067 nan 4.420 nan 0.000 0.296 800 P C 0.244 177.478 177.300 -0.111 0.000 1.407 800 P CA 0.366 63.212 63.100 -0.423 0.000 0.793 800 P CB 0.412 31.984 31.700 -0.214 0.000 1.675 801 M N -4.687 114.894 119.600 -0.031 0.000 3.231 801 M HA 0.544 5.024 4.480 -0.000 0.000 0.282 801 M C -2.027 174.321 176.300 0.079 0.000 1.126 801 M CA -0.609 54.688 55.300 -0.005 0.000 0.820 801 M CB 1.369 33.906 32.600 -0.106 0.000 1.624 801 M HN 0.206 nan 8.290 nan 0.000 0.535 802 S N -0.403 115.428 115.700 0.217 0.000 2.712 802 S HA 0.603 5.073 4.470 -0.000 0.000 0.279 802 S C -1.478 173.408 174.600 0.477 0.000 1.025 802 S CA -0.392 58.038 58.200 0.382 0.000 0.861 802 S CB 1.975 65.300 63.200 0.207 0.000 1.091 802 S HN 1.158 nan 8.310 nan 0.000 0.457 803 R N 0.837 121.550 120.500 0.356 0.000 3.519 803 R HA 0.729 5.069 4.340 -0.000 0.000 0.258 803 R C -1.744 174.480 176.300 -0.127 0.000 1.147 803 R CA -0.702 55.378 56.100 -0.034 0.000 0.950 803 R CB 0.532 30.504 30.300 -0.547 0.000 1.538 803 R HN 0.423 nan 8.270 nan 0.000 0.427 804 Q N 1.014 120.657 119.800 -0.261 0.000 3.605 804 Q HA 0.334 4.674 4.340 -0.000 0.000 0.222 804 Q C -1.420 174.431 176.000 -0.249 0.000 0.915 804 Q CA -0.386 55.303 55.803 -0.190 0.000 0.731 804 Q CB 2.063 30.723 28.738 -0.131 0.000 1.423 804 Q HN 0.431 nan 8.270 nan 0.000 0.446 805 V N 0.982 120.729 119.914 -0.278 0.000 3.388 805 V HA -0.012 4.108 4.120 -0.000 0.000 0.301 805 V C 0.406 176.400 176.094 -0.167 0.000 1.160 805 V CA 0.403 62.563 62.300 -0.233 0.000 1.277 805 V CB 0.763 32.499 31.823 -0.145 0.000 1.018 805 V HN 0.497 nan 8.190 nan 0.000 0.504 806 V N 0.712 120.543 119.914 -0.139 0.000 2.465 806 V HA 0.409 4.529 4.120 -0.000 0.000 0.279 806 V C 0.166 176.191 176.094 -0.115 0.000 1.045 806 V CA -0.781 61.416 62.300 -0.171 0.000 0.938 806 V CB 1.313 32.999 31.823 -0.230 0.000 0.986 806 V HN 0.763 nan 8.190 nan 0.000 0.467 807 D N 4.629 124.927 120.400 -0.171 0.000 2.455 807 D HA 0.097 4.737 4.640 -0.000 0.000 0.234 807 D C 1.157 177.400 176.300 -0.095 0.000 1.224 807 D CA 0.148 54.077 54.000 -0.118 0.000 0.999 807 D CB 0.570 41.286 40.800 -0.141 0.000 1.072 807 D HN 0.817 nan 8.370 nan 0.000 0.514 808 D N 0.667 121.088 120.400 0.035 0.000 2.178 808 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 808 D C 1.467 177.922 176.300 0.257 0.000 0.980 808 D CA 1.035 55.152 54.000 0.196 0.000 0.842 808 D CB -0.401 40.510 40.800 0.184 0.000 0.948 808 D HN 0.376 nan 8.370 nan 0.000 0.472 809 T N -0.906 113.734 114.554 0.144 0.000 2.812 809 T HA -0.053 4.297 4.350 -0.000 0.000 0.264 809 T C 1.115 175.910 174.700 0.159 0.000 1.042 809 T CA 0.467 62.647 62.100 0.133 0.000 1.140 809 T CB -0.064 68.854 68.868 0.083 0.000 0.870 809 T HN -0.065 nan 8.240 nan 0.000 0.445 810 K N 1.484 121.949 120.400 0.108 0.000 2.312 810 K HA 0.494 4.814 4.320 -0.000 0.000 0.287 810 K C -1.005 175.703 176.600 0.179 0.000 1.062 810 K CA -0.367 55.976 56.287 0.094 0.000 0.934 810 K CB 0.170 32.663 32.500 -0.012 0.000 1.027 810 K HN 0.245 nan 8.250 nan 0.000 0.478 811 Y N 0.701 121.057 120.300 0.093 0.000 2.916 811 Y HA -0.099 4.451 4.550 -0.000 0.000 0.412 811 Y C -0.229 175.764 175.900 0.156 0.000 1.334 811 Y CA -0.850 57.328 58.100 0.131 0.000 1.079 811 Y CB -0.215 38.350 38.460 0.174 0.000 3.425 811 Y HN 0.541 nan 8.280 nan 0.000 0.306 812 K N -0.816 119.599 120.400 0.025 0.000 2.907 812 K HA 0.095 4.415 4.320 -0.000 0.000 0.175 812 K C 0.455 176.923 176.600 -0.219 0.000 1.860 812 K CA 0.465 56.704 56.287 -0.080 0.000 1.404 812 K CB 0.180 32.646 32.500 -0.057 0.000 2.100 812 K HN 0.484 nan 8.250 nan 0.000 0.616 813 D N 0.493 120.570 120.400 -0.539 0.000 2.348 813 D HA -0.074 4.566 4.640 -0.000 0.000 0.216 813 D C -0.353 175.847 176.300 -0.166 0.000 0.970 813 D CA 0.818 54.579 54.000 -0.398 0.000 0.889 813 D CB 0.268 40.745 40.800 -0.539 0.000 0.912 813 D HN 0.232 nan 8.370 nan 0.000 0.524 814 Y N 0.281 120.405 120.300 -0.293 0.000 2.376 814 Y HA 0.425 4.975 4.550 -0.000 0.000 0.340 814 Y C -0.921 174.984 175.900 0.008 0.000 0.965 814 Y CA -1.061 57.039 58.100 0.000 0.000 1.078 814 Y CB 1.078 39.651 38.460 0.187 0.000 1.193 814 Y HN -0.355 nan 8.280 nan 0.000 0.452 815 Q N 5.187 124.729 119.800 -0.430 0.000 2.307 815 Q HA 0.182 4.522 4.340 -0.000 0.000 0.262 815 Q C -0.696 174.941 176.000 -0.604 0.000 0.961 815 Q CA -0.792 54.713 55.803 -0.496 0.000 0.882 815 Q CB 2.072 30.686 28.738 -0.206 0.000 1.264 815 Q HN 0.989 nan 8.270 nan 0.000 0.446 816 Q N 0.763 120.136 119.800 -0.713 0.000 2.506 816 Q HA -0.027 4.313 4.340 -0.000 0.000 0.384 816 Q C -0.421 175.553 176.000 -0.043 0.000 1.368 816 Q CA 0.847 56.455 55.803 -0.324 0.000 1.067 816 Q CB 0.439 29.111 28.738 -0.109 0.000 1.245 816 Q HN 0.501 nan 8.270 nan 0.000 0.468 817 V N -1.335 118.656 119.914 0.129 0.000 3.187 817 V HA 0.913 5.033 4.120 -0.000 0.000 0.303 817 V C -0.207 175.917 176.094 0.049 0.000 1.529 817 V CA -0.566 61.817 62.300 0.138 0.000 1.042 817 V CB 1.346 33.328 31.823 0.265 0.000 1.089 817 V HN 0.915 nan 8.190 nan 0.000 0.471 818 G N -1.109 107.686 108.800 -0.009 0.000 3.022 818 G HA2 0.690 4.650 3.960 -0.000 0.000 0.284 818 G HA3 0.690 4.650 3.960 -0.000 0.000 0.284 818 G C -0.383 174.351 174.900 -0.276 0.000 1.375 818 G CA -0.562 44.434 45.100 -0.174 0.000 0.902 818 G HN 0.845 nan 8.290 nan 0.000 0.538 819 I N 0.906 121.281 120.570 -0.325 0.000 3.861 819 I HA 0.104 4.274 4.170 -0.000 0.000 0.329 819 I C 1.035 176.970 176.117 -0.303 0.000 1.321 819 I CA 0.089 61.208 61.300 -0.302 0.000 1.126 819 I CB 0.018 37.859 38.000 -0.265 0.000 1.018 819 I HN 0.119 nan 8.210 nan 0.000 0.407 820 L N -0.119 120.821 121.223 -0.473 0.000 2.492 820 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 820 L C 0.827 177.368 176.870 -0.548 0.000 1.132 820 L CA 1.274 55.784 54.840 -0.549 0.000 0.850 820 L CB -1.257 40.421 42.059 -0.635 0.000 0.966 820 L HN 0.356 nan 8.230 nan 0.000 0.454 821 H N -2.189 116.822 119.070 -0.098 0.000 2.750 821 H HA 0.364 4.920 4.556 -0.000 0.000 0.239 821 H C -0.009 175.154 175.328 -0.274 0.000 1.210 821 H CA -0.542 55.422 56.048 -0.141 0.000 0.936 821 H CB -0.062 29.630 29.762 -0.116 0.000 2.074 821 H HN 0.292 nan 8.280 nan 0.000 0.622 822 Q N 1.933 121.641 119.800 -0.154 0.000 2.230 822 Q HA 0.274 4.614 4.340 -0.000 0.000 0.253 822 Q C -0.155 175.759 176.000 -0.144 0.000 0.919 822 Q CA -0.577 55.123 55.803 -0.173 0.000 0.908 822 Q CB 1.329 30.054 28.738 -0.020 0.000 1.245 822 Q HN 0.670 nan 8.270 nan 0.000 0.437 823 H N 2.111 121.228 119.070 0.077 0.000 4.983 823 H HA 0.367 4.923 4.556 -0.000 0.000 0.113 823 H C -0.217 175.150 175.328 0.065 0.000 1.343 823 H CA -0.428 55.651 56.048 0.052 0.000 0.892 823 H CB -0.043 29.729 29.762 0.018 0.000 1.645 823 H HN 0.732 nan 8.280 nan 0.000 0.259 824 N N 0.733 119.579 118.700 0.243 0.000 4.161 824 N HA -0.225 4.515 4.740 -0.000 0.000 0.323 824 N C -0.502 174.997 175.510 -0.018 0.000 2.153 824 N CA 0.818 53.907 53.050 0.064 0.000 3.017 824 N CB -0.539 38.000 38.487 0.086 0.000 0.293 824 N HN 0.830 nan 8.380 nan 0.000 0.790 825 N N -0.915 117.667 118.700 -0.198 0.000 2.708 825 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 825 N C -0.944 174.223 175.510 -0.571 0.000 1.097 825 N CA 1.437 54.211 53.050 -0.459 0.000 0.710 825 N CB -1.126 37.313 38.487 -0.080 0.000 1.032 825 N HN 0.575 nan 8.380 nan 0.000 0.551 826 S N -1.132 114.333 115.700 -0.392 0.000 2.634 826 S HA 0.504 4.974 4.470 -0.000 0.000 0.261 826 S C 1.638 176.052 174.600 -0.310 0.000 1.271 826 S CA 0.168 58.246 58.200 -0.202 0.000 0.985 826 S CB 1.220 64.390 63.200 -0.050 0.000 0.968 826 S HN 0.651 nan 8.310 nan 0.000 0.568 827 G N -0.766 108.032 108.800 -0.003 0.000 2.189 827 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.267 827 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.267 827 G C 0.225 175.447 174.900 0.537 0.000 0.975 827 G CA 0.704 45.922 45.100 0.196 0.000 0.644 827 G HN 0.427 nan 8.290 nan 0.000 0.537 828 F N -0.605 119.384 119.950 0.065 0.000 2.123 828 F HA 0.642 5.169 4.527 -0.000 0.000 0.207 828 F C 1.898 177.736 175.800 0.064 0.000 1.198 828 F CA -0.535 57.499 58.000 0.056 0.000 1.265 828 F CB -1.247 37.788 39.000 0.058 0.000 1.722 828 F HN 0.099 nan 8.300 nan 0.000 0.351 829 V N 0.229 120.331 119.914 0.313 0.000 3.930 829 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 829 V C 0.615 176.808 176.094 0.166 0.000 1.009 829 V CA 0.505 62.922 62.300 0.195 0.000 1.018 829 V CB 0.601 32.529 31.823 0.175 0.000 1.220 829 V HN 0.540 nan 8.190 nan 0.000 0.448 830 G N -1.363 107.525 108.800 0.147 0.000 2.552 830 G HA2 0.370 4.330 3.960 -0.000 0.000 0.324 830 G HA3 0.370 4.330 3.960 -0.000 0.000 0.324 830 G C -1.034 173.963 174.900 0.162 0.000 1.217 830 G CA -0.466 44.730 45.100 0.160 0.000 0.989 830 G HN 0.813 nan 8.290 nan 0.000 0.490 831 Y N 1.595 121.932 120.300 0.061 0.000 2.823 831 Y HA 0.249 4.799 4.550 -0.000 0.000 0.345 831 Y C 0.875 176.783 175.900 0.013 0.000 1.154 831 Y CA -0.506 57.613 58.100 0.031 0.000 2.010 831 Y CB -1.431 37.047 38.460 0.029 0.000 2.099 831 Y HN 0.363 nan 8.280 nan 0.000 0.409 832 L N 2.219 123.329 121.223 -0.188 0.000 3.362 832 L HA -0.143 4.197 4.340 -0.000 0.000 0.613 832 L C -0.187 176.609 176.870 -0.123 0.000 1.318 832 L CA 0.506 55.203 54.840 -0.239 0.000 1.019 832 L CB -2.492 39.274 42.059 -0.488 0.000 1.696 832 L HN 0.841 nan 8.230 nan 0.000 0.866 833 A N -0.352 122.462 122.820 -0.009 0.000 2.630 833 A HA 0.492 4.812 4.320 -0.000 0.000 0.310 833 A C -2.640 175.001 177.584 0.096 0.000 0.858 833 A CA -0.517 51.548 52.037 0.047 0.000 0.598 833 A CB -0.164 18.855 19.000 0.032 0.000 1.341 833 A HN 0.060 nan 8.150 nan 0.000 0.407 834 P HA -0.048 nan 4.420 nan 0.000 0.273 834 P C 0.233 177.582 177.300 0.082 0.000 1.435 834 P CA 1.706 64.866 63.100 0.100 0.000 0.779 834 P CB -0.984 30.752 31.700 0.059 0.000 1.564 835 T N -1.873 112.749 114.554 0.114 0.000 2.723 835 T HA 0.253 4.603 4.350 -0.000 0.000 0.297 835 T C 1.088 175.857 174.700 0.115 0.000 0.925 835 T CA -0.639 61.545 62.100 0.140 0.000 1.030 835 T CB 0.531 69.522 68.868 0.206 0.000 0.905 835 T HN 0.048 nan 8.240 nan 0.000 0.502 836 M N 1.835 121.486 119.600 0.086 0.000 8.641 836 M HA -0.257 4.223 4.480 -0.000 0.000 0.382 836 M C 1.244 177.597 176.300 0.089 0.000 0.722 836 M CA 1.597 56.938 55.300 0.069 0.000 1.052 836 M CB -0.008 32.622 32.600 0.050 0.000 0.985 836 M HN 0.715 nan 8.290 nan 0.000 1.224 837 R N 1.399 121.949 120.500 0.083 0.000 2.215 837 R HA 0.333 4.673 4.340 -0.000 0.000 0.336 837 R C -1.648 174.716 176.300 0.107 0.000 0.996 837 R CA -0.123 56.041 56.100 0.107 0.000 0.847 837 R CB 0.681 31.033 30.300 0.087 0.000 1.127 837 R HN 0.531 nan 8.270 nan 0.000 0.465 838 E N 2.790 123.069 120.200 0.131 0.000 2.432 838 E HA 0.449 4.799 4.350 -0.000 0.000 0.272 838 E C -1.061 175.608 176.600 0.115 0.000 0.937 838 E CA -0.520 55.950 56.400 0.116 0.000 0.812 838 E CB 1.962 31.747 29.700 0.142 0.000 1.377 838 E HN 1.001 nan 8.360 nan 0.000 0.399 839 G N 1.870 110.722 108.800 0.086 0.000 2.320 839 G HA2 0.180 4.140 3.960 -0.000 0.000 0.297 839 G HA3 0.180 4.140 3.960 -0.000 0.000 0.297 839 G C -1.690 173.239 174.900 0.049 0.000 1.344 839 G CA -0.887 44.246 45.100 0.055 0.000 0.851 839 G HN 0.251 nan 8.290 nan 0.000 0.567 840 Q N -0.131 119.679 119.800 0.018 0.000 2.320 840 Q HA 0.616 4.956 4.340 -0.000 0.000 0.268 840 Q C 0.234 176.360 176.000 0.211 0.000 1.023 840 Q CA -0.403 55.460 55.803 0.100 0.000 0.744 840 Q CB 1.703 30.448 28.738 0.010 0.000 1.246 840 Q HN 1.376 nan 8.270 nan 0.000 0.462 841 A N 3.920 126.824 122.820 0.140 0.000 2.522 841 A HA 0.006 4.326 4.320 -0.000 0.000 0.285 841 A C -1.114 176.514 177.584 0.073 0.000 1.222 841 A CA 0.982 53.021 52.037 0.003 0.000 0.931 841 A CB -0.569 18.465 19.000 0.058 0.000 1.003 841 A HN 0.592 nan 8.150 nan 0.000 0.560 842 Y N 1.863 122.020 120.300 -0.240 0.000 2.693 842 Y HA 0.645 5.195 4.550 -0.000 0.000 0.331 842 Y C -2.263 173.464 175.900 -0.288 0.000 1.092 842 Y CA -2.293 55.632 58.100 -0.291 0.000 1.131 842 Y CB 1.995 40.175 38.460 -0.467 0.000 1.318 842 Y HN 0.392 nan 8.280 nan 0.000 0.510 843 P HA 0.457 nan 4.420 nan 0.000 0.301 843 P C -0.825 176.498 177.300 0.039 0.000 1.337 843 P CA -0.485 62.565 63.100 -0.082 0.000 0.889 843 P CB 1.629 33.275 31.700 -0.090 0.000 1.050 844 A N 3.252 126.157 122.820 0.141 0.000 2.141 844 A HA 0.142 4.462 4.320 -0.000 0.000 0.311 844 A C 0.570 178.313 177.584 0.264 0.000 1.377 844 A CA 0.764 52.992 52.037 0.318 0.000 0.923 844 A CB -0.578 18.521 19.000 0.165 0.000 1.158 844 A HN 0.811 nan 8.150 nan 0.000 0.520 845 N N -2.722 116.061 118.700 0.139 0.000 2.968 845 N HA 0.332 5.072 4.740 -0.000 0.000 0.192 845 N C -0.865 174.683 175.510 0.065 0.000 1.357 845 N CA 0.116 53.167 53.050 0.003 0.000 1.069 845 N CB -0.234 38.291 38.487 0.062 0.000 1.596 845 N HN 1.011 nan 8.380 nan 0.000 0.588 846 F N 0.001 119.851 119.950 -0.167 0.000 2.531 846 F HA 0.131 4.658 4.527 -0.000 0.000 0.278 846 F C -2.815 173.039 175.800 0.089 0.000 0.898 846 F CA -0.479 57.539 58.000 0.030 0.000 0.921 846 F CB 0.292 39.402 39.000 0.184 0.000 1.412 846 F HN 0.022 nan 8.300 nan 0.000 0.598 847 P HA 0.251 nan 4.420 nan 0.000 0.272 847 P C -1.446 175.734 177.300 -0.200 0.000 1.240 847 P CA 0.079 62.985 63.100 -0.324 0.000 0.791 847 P CB 0.402 31.966 31.700 -0.227 0.000 0.978 848 Y N 0.596 120.699 120.300 -0.328 0.000 2.353 848 Y HA 0.300 4.850 4.550 -0.000 0.000 0.340 848 Y C -1.493 174.283 175.900 -0.206 0.000 0.972 848 Y CA -2.293 55.683 58.100 -0.206 0.000 1.157 848 Y CB 0.446 38.755 38.460 -0.252 0.000 1.157 848 Y HN 0.248 nan 8.280 nan 0.000 0.495 849 P HA 0.029 nan 4.420 nan 0.000 0.270 849 P C -0.156 177.098 177.300 -0.078 0.000 1.242 849 P CA -0.204 62.855 63.100 -0.069 0.000 0.768 849 P CB 0.879 32.540 31.700 -0.065 0.000 0.820 850 L N 3.062 124.225 121.223 -0.099 0.000 2.270 850 L HA 0.054 4.394 4.340 -0.000 0.000 0.210 850 L C 1.697 178.521 176.870 -0.077 0.000 1.104 850 L CA 0.968 55.742 54.840 -0.111 0.000 0.804 850 L CB -1.392 40.593 42.059 -0.122 0.000 0.937 850 L HN 0.288 nan 8.230 nan 0.000 0.450 851 I N -0.190 120.341 120.570 -0.064 0.000 2.634 851 I HA 0.255 4.425 4.170 -0.000 0.000 0.158 851 I C 1.932 178.025 176.117 -0.040 0.000 1.448 851 I CA 0.511 61.782 61.300 -0.048 0.000 0.625 851 I CB -1.060 36.913 38.000 -0.045 0.000 1.879 851 I HN 0.321 nan 8.210 nan 0.000 1.058 852 G N 1.284 110.063 108.800 -0.035 0.000 2.602 852 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.306 852 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.306 852 G C 0.126 175.013 174.900 -0.022 0.000 1.301 852 G CA 0.562 45.646 45.100 -0.028 0.000 0.974 852 G HN 0.688 nan 8.290 nan 0.000 0.547 853 K N 0.728 121.118 120.400 -0.015 0.000 3.084 853 K HA 0.306 4.626 4.320 -0.000 0.000 0.210 853 K C 1.226 177.825 176.600 -0.001 0.000 1.137 853 K CA 0.695 56.977 56.287 -0.008 0.000 1.010 853 K CB 0.701 33.197 32.500 -0.005 0.000 0.806 853 K HN 0.716 nan 8.250 nan 0.000 0.460 854 T N -2.665 111.886 114.554 -0.006 0.000 3.044 854 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 854 T C 1.088 175.788 174.700 0.001 0.000 1.081 854 T CA 0.370 62.474 62.100 0.007 0.000 1.040 854 T CB -0.076 68.792 68.868 0.000 0.000 0.962 854 T HN 0.270 nan 8.240 nan 0.000 0.506 855 A N 0.715 123.523 122.820 -0.020 0.000 2.049 855 A HA 0.010 4.330 4.320 -0.000 0.000 0.263 855 A C 0.379 177.927 177.584 -0.060 0.000 1.316 855 A CA 0.692 52.710 52.037 -0.031 0.000 0.759 855 A CB -2.157 16.841 19.000 -0.002 0.000 1.141 855 A HN 1.181 nan 8.150 nan 0.000 0.325 856 V N 3.131 122.952 119.914 -0.155 0.000 2.409 856 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 856 V C 0.074 175.972 176.094 -0.328 0.000 1.020 856 V CA -0.683 61.393 62.300 -0.374 0.000 0.848 856 V CB 1.264 32.730 31.823 -0.595 0.000 0.990 856 V HN 0.689 nan 8.190 nan 0.000 0.430 857 D N 4.793 125.017 120.400 -0.294 0.000 2.300 857 D HA 0.347 4.987 4.640 -0.000 0.000 0.235 857 D C 0.187 176.338 176.300 -0.247 0.000 1.338 857 D CA 0.804 54.683 54.000 -0.202 0.000 0.903 857 D CB 0.455 41.176 40.800 -0.132 0.000 1.180 857 D HN 1.089 nan 8.370 nan 0.000 0.485 858 S N -1.045 114.550 115.700 -0.174 0.000 2.523 858 S HA 0.141 4.611 4.470 -0.000 0.000 0.335 858 S C -0.646 173.884 174.600 -0.116 0.000 0.817 858 S CA -1.110 56.984 58.200 -0.177 0.000 0.800 858 S CB -0.760 62.317 63.200 -0.205 0.000 1.106 858 S HN 0.629 nan 8.310 nan 0.000 0.490 859 I N 3.542 124.059 120.570 -0.088 0.000 2.993 859 I HA 0.346 4.516 4.170 -0.000 0.000 0.301 859 I C 0.042 176.123 176.117 -0.060 0.000 1.229 859 I CA 1.036 62.306 61.300 -0.050 0.000 1.435 859 I CB 0.784 38.773 38.000 -0.019 0.000 1.328 859 I HN 0.721 nan 8.210 nan 0.000 0.584 860 T N 6.642 121.178 114.554 -0.029 0.000 3.155 860 T HA 0.257 4.607 4.350 -0.000 0.000 0.384 860 T C -0.114 174.602 174.700 0.027 0.000 1.351 860 T CA -0.231 61.853 62.100 -0.026 0.000 1.198 860 T CB 0.534 69.394 68.868 -0.013 0.000 1.106 860 T HN 0.718 nan 8.240 nan 0.000 0.564 861 Q N 2.378 122.193 119.800 0.025 0.000 2.870 861 Q HA 0.397 4.737 4.340 -0.000 0.000 0.189 861 Q C 0.174 176.355 176.000 0.301 0.000 1.161 861 Q CA 0.333 56.235 55.803 0.166 0.000 1.248 861 Q CB 0.452 29.325 28.738 0.225 0.000 1.302 861 Q HN 0.699 nan 8.270 nan 0.000 0.693 862 K N -2.049 118.634 120.400 0.472 0.000 2.960 862 K HA 0.487 4.807 4.320 -0.000 0.000 0.296 862 K C -1.594 175.117 176.600 0.185 0.000 1.092 862 K CA -0.972 55.545 56.287 0.384 0.000 0.847 862 K CB 0.981 33.620 32.500 0.231 0.000 1.458 862 K HN 0.444 nan 8.250 nan 0.000 0.359 863 K N -0.099 120.323 120.400 0.036 0.000 2.491 863 K HA 0.493 4.813 4.320 -0.000 0.000 0.275 863 K C -0.868 175.826 176.600 0.157 0.000 0.982 863 K CA -0.642 55.642 56.287 -0.005 0.000 0.794 863 K CB 0.905 33.093 32.500 -0.520 0.000 1.488 863 K HN 0.512 nan 8.250 nan 0.000 0.360 864 F N -0.315 119.633 119.950 -0.004 0.000 2.893 864 F HA 0.666 5.193 4.527 -0.000 0.000 0.152 864 F C -0.311 175.613 175.800 0.206 0.000 1.391 864 F CA -0.944 57.171 58.000 0.191 0.000 0.935 864 F CB 0.026 39.088 39.000 0.104 0.000 2.055 864 F HN 0.186 nan 8.300 nan 0.000 0.498 865 L N 0.503 121.788 121.223 0.103 0.000 2.191 865 L HA -0.105 4.235 4.340 -0.000 0.000 0.715 865 L C -0.909 175.878 176.870 -0.139 0.000 1.264 865 L CA -0.087 54.697 54.840 -0.092 0.000 1.407 865 L CB -1.142 40.817 42.059 -0.165 0.000 2.207 865 L HN 0.925 nan 8.230 nan 0.000 0.957 866 C N 1.829 120.709 119.300 -0.700 0.000 2.842 866 C HA 0.609 5.069 4.460 -0.000 0.000 0.311 866 C C 0.146 175.026 174.990 -0.183 0.000 1.312 866 C CA -0.471 58.176 59.018 -0.617 0.000 1.651 866 C CB -0.788 26.219 27.740 -1.221 0.000 1.826 866 C HN 0.543 nan 8.230 nan 0.000 0.491 867 D N 2.715 123.121 120.400 0.009 0.000 2.485 867 D HA 0.295 4.935 4.640 -0.000 0.000 0.221 867 D C 0.707 177.128 176.300 0.202 0.000 1.112 867 D CA 0.055 54.114 54.000 0.098 0.000 0.911 867 D CB 0.831 41.746 40.800 0.192 0.000 1.019 867 D HN 0.740 nan 8.370 nan 0.000 0.516 868 R N 0.698 121.256 120.500 0.097 0.000 4.126 868 R HA 0.151 4.491 4.340 -0.000 0.000 0.128 868 R C 0.084 176.264 176.300 -0.200 0.000 0.687 868 R CA 0.378 56.487 56.100 0.014 0.000 1.049 868 R CB 0.398 30.706 30.300 0.013 0.000 1.559 868 R HN 0.216 nan 8.270 nan 0.000 0.455 869 T N 1.264 115.569 114.554 -0.415 0.000 2.922 869 T HA 0.406 4.756 4.350 -0.000 0.000 0.281 869 T C -0.335 174.085 174.700 -0.468 0.000 1.005 869 T CA -0.696 61.043 62.100 -0.602 0.000 0.982 869 T CB 1.311 69.465 68.868 -1.191 0.000 1.158 869 T HN 0.051 nan 8.240 nan 0.000 0.566 870 L N -0.816 120.111 121.223 -0.494 0.000 2.755 870 L HA 0.507 4.847 4.340 -0.000 0.000 0.243 870 L C -0.712 176.033 176.870 -0.209 0.000 1.579 870 L CA -0.835 53.620 54.840 -0.642 0.000 1.669 870 L CB 1.164 42.744 42.059 -0.797 0.000 2.294 870 L HN 0.596 nan 8.230 nan 0.000 0.588 871 W N 2.633 123.889 121.300 -0.073 0.000 2.342 871 W HA 0.354 5.014 4.660 -0.000 0.000 0.310 871 W C 0.228 176.857 176.519 0.182 0.000 1.128 871 W CA -0.307 57.105 57.345 0.111 0.000 1.322 871 W CB 0.671 30.214 29.460 0.138 0.000 1.251 871 W HN 0.345 nan 8.180 nan 0.000 0.439 872 R N 3.396 124.148 120.500 0.419 0.000 2.428 872 R HA 0.524 4.864 4.340 -0.000 0.000 0.294 872 R C -0.317 176.232 176.300 0.415 0.000 1.000 872 R CA -0.379 55.931 56.100 0.349 0.000 0.960 872 R CB 0.842 31.305 30.300 0.271 0.000 1.076 872 R HN 0.511 nan 8.270 nan 0.000 0.475 873 I N 6.614 127.413 120.570 0.383 0.000 2.926 873 I HA 0.226 4.396 4.170 -0.000 0.000 0.295 873 I C -2.098 174.137 176.117 0.197 0.000 1.463 873 I CA -1.878 59.687 61.300 0.440 0.000 0.892 873 I CB 1.406 39.804 38.000 0.664 0.000 1.874 873 I HN 0.401 nan 8.210 nan 0.000 0.620 874 P HA 0.106 nan 4.420 nan 0.000 0.281 874 P C -0.512 176.668 177.300 -0.199 0.000 1.274 874 P CA 0.277 63.384 63.100 0.011 0.000 0.794 874 P CB 1.213 32.959 31.700 0.076 0.000 1.201 875 F N -1.516 118.263 119.950 -0.285 0.000 3.064 875 F HA 0.492 5.019 4.527 -0.000 0.000 0.353 875 F C 0.476 176.186 175.800 -0.150 0.000 1.393 875 F CA 0.336 58.118 58.000 -0.364 0.000 1.080 875 F CB 0.905 39.802 39.000 -0.171 0.000 1.619 875 F HN 0.492 nan 8.300 nan 0.000 0.465 876 S N -0.423 115.336 115.700 0.100 0.000 4.095 876 S HA -0.166 4.304 4.470 -0.000 0.000 0.637 876 S C 0.222 174.825 174.600 0.005 0.000 1.451 876 S CA -0.112 58.170 58.200 0.137 0.000 1.682 876 S CB -1.674 61.614 63.200 0.146 0.000 0.328 876 S HN 0.594 nan 8.310 nan 0.000 1.698 877 S N 0.886 116.655 115.700 0.116 0.000 2.475 877 S HA 0.118 4.588 4.470 -0.000 0.000 0.224 877 S C 1.440 176.158 174.600 0.197 0.000 1.042 877 S CA 0.939 59.224 58.200 0.141 0.000 0.935 877 S CB -0.541 62.732 63.200 0.122 0.000 0.801 877 S HN 0.595 nan 8.310 nan 0.000 0.509 878 N N -0.671 118.167 118.700 0.229 0.000 2.245 878 N HA 0.150 4.890 4.740 -0.000 0.000 0.185 878 N C 0.242 176.027 175.510 0.458 0.000 1.036 878 N CA 0.921 54.140 53.050 0.283 0.000 0.857 878 N CB 0.063 38.747 38.487 0.328 0.000 1.015 878 N HN 0.309 nan 8.380 nan 0.000 0.436 879 F N -0.984 119.007 119.950 0.068 0.000 0.898 879 F HA 0.012 4.539 4.527 -0.000 0.000 0.279 879 F C -0.140 175.724 175.800 0.108 0.000 0.528 879 F CA -0.407 57.631 58.000 0.064 0.000 2.764 879 F CB -0.979 38.050 39.000 0.050 0.000 3.695 879 F HN -0.100 nan 8.300 nan 0.000 0.198 880 M N 0.085 119.842 119.600 0.263 0.000 2.214 880 M HA -0.083 4.397 4.480 -0.000 0.000 0.306 880 M C 1.409 177.811 176.300 0.171 0.000 0.998 880 M CA 1.163 56.587 55.300 0.207 0.000 1.071 880 M CB 0.468 33.198 32.600 0.217 0.000 1.466 880 M HN 0.107 nan 8.290 nan 0.000 0.433 881 S N 1.317 117.111 115.700 0.156 0.000 2.540 881 S HA 0.061 4.531 4.470 -0.000 0.000 0.218 881 S C 1.179 175.857 174.600 0.130 0.000 0.977 881 S CA -0.163 58.119 58.200 0.138 0.000 0.918 881 S CB -0.100 63.179 63.200 0.131 0.000 0.806 881 S HN 0.643 nan 8.310 nan 0.000 0.496 882 M N 1.247 120.927 119.600 0.134 0.000 4.073 882 M HA -0.230 4.250 4.480 -0.000 0.000 0.288 882 M C 1.317 177.680 176.300 0.104 0.000 0.920 882 M CA 2.013 57.385 55.300 0.120 0.000 0.995 882 M CB -1.655 31.016 32.600 0.119 0.000 1.351 882 M HN 0.311 nan 8.290 nan 0.000 0.639 883 G N -1.722 107.139 108.800 0.102 0.000 2.371 883 G HA2 0.626 4.586 3.960 -0.000 0.000 0.326 883 G HA3 0.626 4.586 3.960 -0.000 0.000 0.326 883 G C 0.478 175.439 174.900 0.102 0.000 1.127 883 G CA -0.206 44.945 45.100 0.085 0.000 0.885 883 G HN 0.656 nan 8.290 nan 0.000 0.477 884 A N 2.305 125.175 122.820 0.084 0.000 2.216 884 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 884 A C 2.107 179.822 177.584 0.218 0.000 1.160 884 A CA 0.386 52.505 52.037 0.137 0.000 0.725 884 A CB -0.304 18.747 19.000 0.086 0.000 0.784 884 A HN 0.592 nan 8.150 nan 0.000 0.472 885 L N -0.493 120.794 121.223 0.107 0.000 1.900 885 L HA -0.128 4.212 4.340 -0.000 0.000 0.230 885 L C 1.382 178.412 176.870 0.267 0.000 1.089 885 L CA 2.651 57.557 54.840 0.111 0.000 0.807 885 L CB -0.851 41.248 42.059 0.065 0.000 0.895 885 L HN 0.739 nan 8.230 nan 0.000 0.430 886 T N -5.190 109.492 114.554 0.212 0.000 5.260 886 T HA -0.039 4.311 4.350 -0.000 0.000 0.176 886 T C 0.250 175.107 174.700 0.261 0.000 1.028 886 T CA 0.469 62.726 62.100 0.262 0.000 0.775 886 T CB -1.429 67.607 68.868 0.281 0.000 0.644 886 T HN 0.452 nan 8.240 nan 0.000 0.258 887 D N 0.819 121.334 120.400 0.193 0.000 4.054 887 D HA -0.271 4.369 4.640 -0.000 0.000 0.490 887 D C 1.367 177.780 176.300 0.187 0.000 1.378 887 D CA 2.548 56.650 54.000 0.170 0.000 1.393 887 D CB -0.475 40.417 40.800 0.153 0.000 0.330 887 D HN 0.495 nan 8.370 nan 0.000 0.823 888 L N -0.325 121.029 121.223 0.219 0.000 2.591 888 L HA 0.323 4.663 4.340 -0.000 0.000 0.228 888 L C 1.653 178.642 176.870 0.199 0.000 1.133 888 L CA 1.205 56.163 54.840 0.197 0.000 0.880 888 L CB -0.407 41.731 42.059 0.131 0.000 1.033 888 L HN 0.291 nan 8.230 nan 0.000 0.450 889 G N -0.250 108.699 108.800 0.249 0.000 4.637 889 G HA2 0.375 4.335 3.960 -0.000 0.000 0.308 889 G HA3 0.375 4.335 3.960 -0.000 0.000 0.308 889 G C 0.657 175.638 174.900 0.135 0.000 1.377 889 G CA -0.031 45.143 45.100 0.123 0.000 1.176 889 G HN 0.537 nan 8.290 nan 0.000 0.601 890 Q N -1.379 118.518 119.800 0.162 0.000 1.773 890 Q HA 0.049 4.389 4.340 -0.000 0.000 0.185 890 Q C 0.447 176.530 176.000 0.137 0.000 0.660 890 Q CA -0.633 55.249 55.803 0.132 0.000 0.761 890 Q CB -0.021 28.783 28.738 0.110 0.000 1.213 890 Q HN 0.332 nan 8.270 nan 0.000 0.399 891 N N 1.621 120.436 118.700 0.192 0.000 2.174 891 N HA -0.085 4.655 4.740 -0.000 0.000 0.229 891 N C 0.506 176.070 175.510 0.090 0.000 1.259 891 N CA 0.364 53.515 53.050 0.169 0.000 0.859 891 N CB 0.822 39.492 38.487 0.305 0.000 1.086 891 N HN 0.132 nan 8.380 nan 0.000 0.446 892 L N 1.080 122.313 121.223 0.016 0.000 2.068 892 L HA -0.132 4.208 4.340 -0.000 0.000 0.204 892 L C 2.136 178.956 176.870 -0.083 0.000 1.076 892 L CA 1.014 55.843 54.840 -0.019 0.000 0.753 892 L CB -0.325 41.716 42.059 -0.030 0.000 0.910 892 L HN 0.577 nan 8.230 nan 0.000 0.439 893 L N -3.275 117.829 121.223 -0.198 0.000 2.450 893 L HA -0.179 4.161 4.340 -0.000 0.000 0.224 893 L C 1.072 177.636 176.870 -0.511 0.000 1.149 893 L CA 1.236 55.847 54.840 -0.381 0.000 0.816 893 L CB -0.783 40.959 42.059 -0.528 0.000 0.932 893 L HN 0.141 nan 8.230 nan 0.000 0.449 894 Y N 0.033 120.322 120.300 -0.018 0.000 2.706 894 Y HA 0.620 5.170 4.550 -0.000 0.000 0.255 894 Y C 1.207 177.107 175.900 -0.000 0.000 1.163 894 Y CA -0.425 57.657 58.100 -0.031 0.000 1.174 894 Y CB 0.597 39.050 38.460 -0.012 0.000 1.200 894 Y HN 0.161 nan 8.280 nan 0.000 0.544 895 A N -1.293 121.579 122.820 0.086 0.000 2.554 895 A HA 0.199 4.519 4.320 -0.000 0.000 0.266 895 A C 0.860 178.466 177.584 0.037 0.000 0.938 895 A CA 0.160 52.244 52.037 0.079 0.000 1.045 895 A CB -0.345 18.700 19.000 0.076 0.000 1.198 895 A HN 0.340 nan 8.150 nan 0.000 0.528 896 N N -1.100 117.602 118.700 0.004 0.000 2.545 896 N HA 0.179 4.919 4.740 -0.000 0.000 0.190 896 N C 0.813 176.316 175.510 -0.012 0.000 1.043 896 N CA 1.077 54.118 53.050 -0.015 0.000 0.879 896 N CB 0.592 39.050 38.487 -0.049 0.000 1.210 896 N HN 0.246 nan 8.380 nan 0.000 0.437 897 S N -0.895 114.789 115.700 -0.025 0.000 2.894 897 S HA 0.928 5.398 4.470 -0.000 0.000 0.298 897 S C -1.449 173.153 174.600 0.003 0.000 1.054 897 S CA -0.196 57.981 58.200 -0.038 0.000 0.903 897 S CB 1.767 64.899 63.200 -0.114 0.000 1.356 897 S HN 0.415 nan 8.310 nan 0.000 0.626 898 A N -0.244 122.532 122.820 -0.073 0.000 2.583 898 A HA 0.557 4.877 4.320 -0.000 0.000 0.300 898 A C -1.290 176.276 177.584 -0.029 0.000 0.966 898 A CA -0.445 51.587 52.037 -0.007 0.000 0.673 898 A CB -0.002 19.259 19.000 0.436 0.000 1.297 898 A HN 0.712 nan 8.150 nan 0.000 0.418 899 H N -0.165 118.901 119.070 -0.007 0.000 5.185 899 H HA 0.923 5.479 4.556 -0.000 0.000 0.179 899 H C 0.653 176.104 175.328 0.205 0.000 1.316 899 H CA 1.089 57.182 56.048 0.076 0.000 0.320 899 H CB 0.783 30.530 29.762 -0.025 0.000 1.613 899 H HN 1.843 nan 8.280 nan 0.000 0.308 900 A N -0.389 122.582 122.820 0.252 0.000 2.526 900 A HA 0.503 4.823 4.320 -0.000 0.000 0.306 900 A C -2.097 175.575 177.584 0.148 0.000 1.088 900 A CA 0.025 52.213 52.037 0.252 0.000 0.600 900 A CB 0.768 19.982 19.000 0.357 0.000 1.423 900 A HN 0.331 nan 8.150 nan 0.000 0.582 901 L N -0.494 120.768 121.223 0.065 0.000 2.720 901 L HA 0.825 5.165 4.340 -0.000 0.000 0.261 901 L C -2.260 174.537 176.870 -0.122 0.000 1.046 901 L CA -0.271 54.520 54.840 -0.081 0.000 0.886 901 L CB 2.266 44.102 42.059 -0.373 0.000 1.493 901 L HN 0.861 nan 8.230 nan 0.000 0.407 902 D N 2.166 122.463 120.400 -0.171 0.000 2.346 902 D HA 0.458 5.098 4.640 -0.000 0.000 0.255 902 D C 0.343 176.497 176.300 -0.244 0.000 1.276 902 D CA -0.479 53.419 54.000 -0.171 0.000 0.941 902 D CB 0.818 41.550 40.800 -0.113 0.000 1.199 902 D HN 0.414 nan 8.370 nan 0.000 0.537 903 M N 0.521 119.922 119.600 -0.332 0.000 1.676 903 M HA 0.285 4.765 4.480 -0.000 0.000 0.088 903 M C -0.036 176.040 176.300 -0.373 0.000 0.978 903 M CA 0.339 55.352 55.300 -0.478 0.000 0.510 903 M CB -0.286 31.847 32.600 -0.778 0.000 0.633 903 M HN 0.321 nan 8.290 nan 0.000 0.280 904 T N 0.008 114.265 114.554 -0.494 0.000 3.842 904 T HA 0.219 4.569 4.350 -0.000 0.000 0.160 904 T C -0.462 174.029 174.700 -0.348 0.000 0.497 904 T CA -0.312 61.617 62.100 -0.285 0.000 0.896 904 T CB -0.495 68.263 68.868 -0.183 0.000 1.381 904 T HN 0.333 nan 8.240 nan 0.000 0.522 905 F N 1.949 121.706 119.950 -0.322 0.000 2.028 905 F HA 0.498 5.025 4.527 -0.000 0.000 0.192 905 F C 1.269 176.852 175.800 -0.362 0.000 0.804 905 F CA 0.309 58.021 58.000 -0.480 0.000 1.122 905 F CB 0.250 38.874 39.000 -0.625 0.000 2.146 905 F HN 0.360 nan 8.300 nan 0.000 0.635 906 E N -0.888 119.229 120.200 -0.138 0.000 3.769 906 E HA 0.218 4.568 4.350 -0.000 0.000 0.370 906 E C -1.318 175.312 176.600 0.050 0.000 1.080 906 E CA -0.251 56.120 56.400 -0.048 0.000 0.692 906 E CB 0.180 29.844 29.700 -0.061 0.000 1.258 906 E HN 0.216 nan 8.360 nan 0.000 0.514 907 V N 0.205 120.270 119.914 0.252 0.000 3.665 907 V HA 0.500 4.620 4.120 -0.000 0.000 0.279 907 V C 0.538 176.785 176.094 0.255 0.000 1.000 907 V CA -0.530 62.055 62.300 0.475 0.000 0.935 907 V CB 0.826 32.847 31.823 0.330 0.000 1.240 907 V HN 0.565 nan 8.190 nan 0.000 0.418 908 D N 0.339 120.843 120.400 0.174 0.000 2.294 908 D HA 0.409 5.049 4.640 -0.000 0.000 0.250 908 D C -2.594 173.770 176.300 0.106 0.000 1.058 908 D CA -1.806 52.272 54.000 0.130 0.000 0.950 908 D CB 1.230 42.094 40.800 0.107 0.000 1.158 908 D HN 0.451 nan 8.370 nan 0.000 0.453 909 P HA 0.094 nan 4.420 nan 0.000 0.268 909 P C -0.895 176.455 177.300 0.083 0.000 1.485 909 P CA 0.195 63.348 63.100 0.088 0.000 1.102 909 P CB -0.127 31.627 31.700 0.090 0.000 1.501 910 M N 2.846 122.487 119.600 0.069 0.000 2.289 910 M HA 0.137 4.617 4.480 -0.000 0.000 0.354 910 M C -0.262 176.066 176.300 0.048 0.000 1.210 910 M CA -0.345 54.990 55.300 0.058 0.000 1.174 910 M CB 0.117 32.742 32.600 0.040 0.000 1.297 910 M HN 0.086 nan 8.290 nan 0.000 0.423 911 D N 3.834 124.264 120.400 0.051 0.000 2.738 911 D HA -0.019 4.621 4.640 -0.000 0.000 0.226 911 D C -0.166 176.151 176.300 0.029 0.000 1.070 911 D CA 0.358 54.382 54.000 0.039 0.000 1.153 911 D CB -0.309 40.515 40.800 0.040 0.000 1.141 911 D HN 0.578 nan 8.370 nan 0.000 0.459 912 E N -1.530 118.685 120.200 0.024 0.000 2.470 912 E HA 0.227 4.577 4.350 -0.000 0.000 0.287 912 E C -3.278 173.328 176.600 0.009 0.000 1.126 912 E CA -1.741 54.666 56.400 0.012 0.000 0.902 912 E CB 0.529 30.236 29.700 0.011 0.000 1.196 912 E HN -0.203 nan 8.360 nan 0.000 0.430 913 P HA 0.131 nan 4.420 nan 0.000 0.272 913 P C -0.842 176.456 177.300 -0.003 0.000 1.243 913 P CA 0.172 63.271 63.100 -0.001 0.000 0.803 913 P CB 0.309 32.001 31.700 -0.013 0.000 0.974 914 T N -2.582 111.972 114.554 0.001 0.000 4.227 914 T HA 0.183 4.533 4.350 -0.000 0.000 0.299 914 T C -0.151 174.556 174.700 0.012 0.000 0.686 914 T CA -0.774 61.322 62.100 -0.006 0.000 0.900 914 T CB -1.174 67.688 68.868 -0.011 0.000 1.229 914 T HN 0.137 nan 8.240 nan 0.000 0.466 915 L N 1.618 122.840 121.223 -0.001 0.000 2.496 915 L HA 0.077 4.417 4.340 -0.000 0.000 0.305 915 L C 0.418 177.325 176.870 0.060 0.000 1.305 915 L CA -0.143 54.703 54.840 0.009 0.000 0.830 915 L CB 0.209 42.238 42.059 -0.050 0.000 1.067 915 L HN 0.629 nan 8.230 nan 0.000 0.569 916 L N 2.145 123.413 121.223 0.076 0.000 2.445 916 L HA 0.290 4.630 4.340 -0.000 0.000 0.252 916 L C -0.342 176.629 176.870 0.168 0.000 1.105 916 L CA -0.185 54.744 54.840 0.149 0.000 0.943 916 L CB -0.029 42.165 42.059 0.226 0.000 1.277 916 L HN 0.298 nan 8.230 nan 0.000 0.465 917 Y N 4.535 124.925 120.300 0.150 0.000 2.183 917 Y HA 0.476 5.026 4.550 -0.000 0.000 0.380 917 Y C 0.499 176.532 175.900 0.221 0.000 1.308 917 Y CA -0.055 58.141 58.100 0.160 0.000 1.813 917 Y CB 0.885 39.481 38.460 0.227 0.000 1.584 917 Y HN 0.406 nan 8.280 nan 0.000 0.665 918 V N 0.675 120.975 119.914 0.643 0.000 5.620 918 V HA 0.108 4.228 4.120 -0.000 0.000 0.274 918 V C -1.059 175.437 176.094 0.670 0.000 1.040 918 V CA -1.262 61.235 62.300 0.328 0.000 1.641 918 V CB -1.682 30.291 31.823 0.251 0.000 0.135 918 V HN 0.679 nan 8.190 nan 0.000 0.439 919 L N 3.575 125.029 121.223 0.385 0.000 2.483 919 L HA 0.607 4.947 4.340 -0.000 0.000 0.276 919 L C 0.033 177.417 176.870 0.856 0.000 1.213 919 L CA 0.513 55.713 54.840 0.600 0.000 0.843 919 L CB 0.180 42.447 42.059 0.347 0.000 1.107 919 L HN 0.483 nan 8.230 nan 0.000 0.487 920 F N 3.459 123.542 119.950 0.223 0.000 2.387 920 F HA 0.389 4.916 4.527 -0.000 0.000 0.332 920 F C 0.730 176.354 175.800 -0.293 0.000 1.174 920 F CA -1.118 56.923 58.000 0.068 0.000 1.257 920 F CB -1.231 37.736 39.000 -0.055 0.000 1.569 920 F HN 0.493 nan 8.300 nan 0.000 0.554 921 E N 1.281 121.336 120.200 -0.242 0.000 2.414 921 E HA 0.255 4.605 4.350 -0.000 0.000 0.263 921 E C 0.553 176.397 176.600 -1.259 0.000 1.000 921 E CA 0.329 56.413 56.400 -0.527 0.000 0.914 921 E CB 1.741 31.238 29.700 -0.338 0.000 0.948 921 E HN 0.439 nan 8.360 nan 0.000 0.444 922 V N 1.302 120.642 119.914 -0.956 0.000 5.699 922 V HA 0.515 4.635 4.120 -0.000 0.000 0.097 922 V C -0.415 174.971 176.094 -1.180 0.000 0.952 922 V CA -0.558 61.082 62.300 -1.100 0.000 1.203 922 V CB 0.387 31.842 31.823 -0.613 0.000 1.952 922 V HN 0.544 nan 8.190 nan 0.000 0.563 923 F N 0.477 120.293 119.950 -0.222 0.000 2.690 923 F HA 0.731 5.258 4.527 -0.000 0.000 0.311 923 F C -1.757 173.980 175.800 -0.105 0.000 1.111 923 F CA -0.576 57.343 58.000 -0.135 0.000 1.003 923 F CB 2.225 41.153 39.000 -0.120 0.000 1.283 923 F HN 0.292 nan 8.300 nan 0.000 0.442 924 D N 1.871 122.374 120.400 0.172 0.000 2.837 924 D HA 0.754 5.394 4.640 -0.000 0.000 0.220 924 D C -1.274 175.129 176.300 0.171 0.000 1.236 924 D CA -0.167 53.904 54.000 0.119 0.000 0.838 924 D CB 2.950 43.764 40.800 0.024 0.000 1.647 924 D HN 0.462 nan 8.370 nan 0.000 0.486 925 V N 0.581 120.649 119.914 0.257 0.000 2.731 925 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 925 V C -1.572 174.637 176.094 0.192 0.000 1.859 925 V CA -0.794 61.628 62.300 0.203 0.000 0.858 925 V CB 1.599 33.532 31.823 0.183 0.000 1.365 925 V HN 0.365 nan 8.190 nan 0.000 0.394 926 V N 4.370 124.349 119.914 0.108 0.000 2.667 926 V HA 0.784 4.904 4.120 -0.000 0.000 0.308 926 V C -0.105 176.030 176.094 0.069 0.000 1.048 926 V CA -0.761 61.583 62.300 0.073 0.000 0.928 926 V CB 1.917 33.725 31.823 -0.024 0.000 1.004 926 V HN 0.850 nan 8.190 nan 0.000 0.444 927 R N 2.183 122.723 120.500 0.067 0.000 2.502 927 R HA 0.754 5.094 4.340 -0.000 0.000 0.300 927 R C -2.110 174.253 176.300 0.106 0.000 0.984 927 R CA -0.159 55.985 56.100 0.075 0.000 0.882 927 R CB 1.969 32.314 30.300 0.074 0.000 1.180 927 R HN 0.633 nan 8.270 nan 0.000 0.444 928 V N 2.898 122.883 119.914 0.117 0.000 3.007 928 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 928 V C -1.006 175.235 176.094 0.244 0.000 1.120 928 V CA -1.094 61.313 62.300 0.179 0.000 0.980 928 V CB 2.175 34.051 31.823 0.088 0.000 1.033 928 V HN 0.715 nan 8.190 nan 0.000 0.429 929 H N 2.762 121.831 119.070 -0.002 0.000 2.594 929 H HA 0.583 5.139 4.556 -0.000 0.000 0.304 929 H C -0.208 175.122 175.328 0.004 0.000 1.068 929 H CA -0.844 55.200 56.048 -0.008 0.000 1.308 929 H CB 0.686 30.436 29.762 -0.021 0.000 1.409 929 H HN 0.332 nan 8.280 nan 0.000 0.460 930 R N 4.282 124.829 120.500 0.079 0.000 3.171 930 R HA 0.269 4.609 4.340 -0.000 0.000 0.241 930 R C -2.497 173.846 176.300 0.070 0.000 1.421 930 R CA -2.419 53.730 56.100 0.082 0.000 1.444 930 R CB -0.827 29.507 30.300 0.056 0.000 1.247 930 R HN 0.479 nan 8.270 nan 0.000 0.636 931 P HA 0.330 nan 4.420 nan 0.000 0.325 931 P C -0.331 177.011 177.300 0.070 0.000 1.298 931 P CA -0.735 62.358 63.100 -0.011 0.000 0.771 931 P CB 0.595 32.191 31.700 -0.173 0.000 1.389 932 H N -1.864 117.237 119.070 0.052 0.000 1.497 932 H HA -0.218 4.338 4.556 -0.000 0.000 0.131 932 H C 1.388 176.737 175.328 0.035 0.000 2.528 932 H CA 0.285 56.347 56.048 0.025 0.000 1.856 932 H CB -0.486 29.270 29.762 -0.010 0.000 2.206 932 H HN 0.363 nan 8.280 nan 0.000 0.938 933 R N 0.296 120.865 120.500 0.115 0.000 2.280 933 R HA 0.108 4.448 4.340 -0.000 0.000 0.195 933 R C 0.640 176.688 176.300 -0.421 0.000 0.935 933 R CA 0.802 56.898 56.100 -0.008 0.000 1.033 933 R CB 0.818 31.090 30.300 -0.047 0.000 0.964 933 R HN 0.618 nan 8.270 nan 0.000 0.489 934 G N 0.823 109.339 108.800 -0.473 0.000 3.846 934 G HA2 0.422 4.382 3.960 -0.000 0.000 0.281 934 G HA3 0.422 4.382 3.960 -0.000 0.000 0.281 934 G C -0.893 173.870 174.900 -0.227 0.000 1.384 934 G CA -0.230 44.215 45.100 -1.092 0.000 0.641 934 G HN -0.001 nan 8.290 nan 0.000 0.458 935 V N -1.101 118.899 119.914 0.144 0.000 3.307 935 V HA 0.829 4.949 4.120 -0.000 0.000 0.283 935 V C -0.697 175.502 176.094 0.175 0.000 1.618 935 V CA -0.900 61.498 62.300 0.165 0.000 1.052 935 V CB 1.124 32.993 31.823 0.076 0.000 1.200 935 V HN 1.211 nan 8.190 nan 0.000 0.468 936 I N -2.652 117.982 120.570 0.108 0.000 3.203 936 I HA 0.732 4.902 4.170 -0.000 0.000 0.321 936 I C -0.988 175.153 176.117 0.039 0.000 1.415 936 I CA -0.670 60.684 61.300 0.090 0.000 0.909 936 I CB 1.894 39.960 38.000 0.109 0.000 1.260 936 I HN 0.717 nan 8.210 nan 0.000 0.499 937 E N 0.983 121.195 120.200 0.020 0.000 3.711 937 E HA 0.251 4.601 4.350 -0.000 0.000 0.267 937 E C -0.543 176.039 176.600 -0.029 0.000 1.198 937 E CA -0.106 56.267 56.400 -0.045 0.000 1.150 937 E CB 0.873 30.473 29.700 -0.167 0.000 1.297 937 E HN 0.913 nan 8.360 nan 0.000 0.399 938 T N -2.071 112.492 114.554 0.015 0.000 2.920 938 T HA 0.088 4.438 4.350 -0.000 0.000 0.422 938 T C 1.075 175.789 174.700 0.023 0.000 1.073 938 T CA 0.771 62.886 62.100 0.025 0.000 1.131 938 T CB 0.534 69.412 68.868 0.016 0.000 1.218 938 T HN 0.205 nan 8.240 nan 0.000 0.513 939 V N -3.545 116.398 119.914 0.048 0.000 6.351 939 V HA 0.486 4.606 4.120 -0.000 0.000 0.074 939 V C 0.079 176.262 176.094 0.148 0.000 0.933 939 V CA -0.342 61.995 62.300 0.062 0.000 1.115 939 V CB -0.776 31.074 31.823 0.045 0.000 2.159 939 V HN 1.769 nan 8.190 nan 0.000 0.475 940 Y N 0.640 120.912 120.300 -0.045 0.000 2.554 940 Y HA 0.058 4.608 4.550 -0.000 0.000 0.023 940 Y C -1.086 174.775 175.900 -0.065 0.000 1.752 940 Y CA 0.518 58.577 58.100 -0.068 0.000 1.386 940 Y CB -0.751 37.652 38.460 -0.095 0.000 2.034 940 Y HN 0.952 nan 8.280 nan 0.000 0.261 941 L N 5.108 126.028 121.223 -0.505 0.000 2.654 941 L HA 0.811 5.151 4.340 -0.000 0.000 0.257 941 L C -1.504 175.089 176.870 -0.461 0.000 1.093 941 L CA -1.380 53.146 54.840 -0.524 0.000 0.903 941 L CB 2.147 44.066 42.059 -0.234 0.000 1.520 941 L HN 0.689 nan 8.230 nan 0.000 0.402 942 R N 0.266 120.582 120.500 -0.306 0.000 2.473 942 R HA 0.585 4.925 4.340 -0.000 0.000 0.303 942 R C -1.649 174.600 176.300 -0.085 0.000 1.002 942 R CA -0.569 55.428 56.100 -0.173 0.000 0.884 942 R CB 1.429 31.628 30.300 -0.169 0.000 1.173 942 R HN 0.425 nan 8.270 nan 0.000 0.464 943 T N 1.900 116.454 114.554 0.000 0.000 2.815 943 T HA 0.437 4.787 4.350 -0.000 0.000 0.289 943 T C -2.460 172.281 174.700 0.068 0.000 1.000 943 T CA -2.302 59.823 62.100 0.041 0.000 0.958 943 T CB 1.759 70.680 68.868 0.089 0.000 0.944 943 T HN 0.199 nan 8.240 nan 0.000 0.442 944 P HA 0.273 nan 4.420 nan 0.000 0.272 944 P C -0.157 177.100 177.300 -0.072 0.000 1.254 944 P CA -0.417 62.668 63.100 -0.025 0.000 0.795 944 P CB 0.060 31.891 31.700 0.219 0.000 1.022 945 F N -1.760 117.861 119.950 -0.549 0.000 2.563 945 F HA -0.184 4.343 4.527 -0.000 0.000 0.351 945 F C 0.529 176.179 175.800 -0.250 0.000 1.086 945 F CA 0.386 58.136 58.000 -0.416 0.000 1.174 945 F CB -2.058 36.787 39.000 -0.257 0.000 1.590 945 F HN 0.191 nan 8.300 nan 0.000 0.808 946 S N 0.807 116.375 115.700 -0.220 0.000 2.576 946 S HA 0.721 5.191 4.470 -0.000 0.000 0.272 946 S C 0.668 175.154 174.600 -0.190 0.000 1.352 946 S CA -0.076 58.015 58.200 -0.181 0.000 1.021 946 S CB 1.927 65.030 63.200 -0.162 0.000 0.887 946 S HN 2.050 nan 8.310 nan 0.000 0.542 947 A N 0.645 123.362 122.820 -0.171 0.000 1.943 947 A HA 0.484 4.804 4.320 -0.000 0.000 0.232 947 A C 0.088 177.559 177.584 -0.187 0.000 2.851 947 A CA -0.430 51.520 52.037 -0.146 0.000 2.075 947 A CB -0.720 18.212 19.000 -0.114 0.000 0.270 947 A HN 1.933 nan 8.150 nan 0.000 0.917 948 G N 0.670 109.349 108.800 -0.202 0.000 3.430 948 G HA2 0.448 4.408 3.960 -0.000 0.000 0.298 948 G HA3 0.448 4.408 3.960 -0.000 0.000 0.298 948 G C 0.042 174.856 174.900 -0.143 0.000 2.115 948 G CA 0.245 45.188 45.100 -0.262 0.000 0.686 948 G HN 0.421 nan 8.290 nan 0.000 0.404 949 N N 1.492 120.147 118.700 -0.075 0.000 2.105 949 N HA 0.478 5.218 4.740 -0.000 0.000 0.190 949 N C 1.069 176.564 175.510 -0.024 0.000 1.066 949 N CA 1.035 54.057 53.050 -0.046 0.000 0.861 949 N CB 0.168 38.636 38.487 -0.031 0.000 1.048 949 N HN 0.770 nan 8.380 nan 0.000 0.442 950 A N 0.000 122.820 122.820 -0.001 0.000 2.254 950 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 950 A CA 0.000 52.041 52.037 0.006 0.000 0.836 950 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 950 A HN 0.000 nan 8.150 nan 0.000 0.486