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 3ohm_1_B DATA FIRST_RESID 12 DATA SEQUENCE QLEPPTVVET LRRGSKFIKW DEETSSRNLV TLRVDPNGFF LYWTGPNMEV DATA SEQUENCE DTLDISSIRD TRTGRYARLP KDPKIREVXX XXXXXXXLEE KLMTVVSGPD DATA SEQUENCE PVNTVFLNFM AVQDDTAKVW SEELFKLAMN ILAQNASRNT FLRKAYTKLK DATA SEQUENCE LQVNQDGRIP VKNILKMFSA DKKRVETALE SCGLKFNRSE SIRPDEFSLE DATA SEQUENCE IFERFLNKLC LRPDIDKILL EIGAKGKPYL TLEQLMDFIN QKQRDPRLNE DATA SEQUENCE VLYPPLRPSQ ARLLIEKYEP NQQFLERDQM SMEGFSRYLG GEENGILPLE DATA SEQUENCE ALDLSTDMTQ PLSAYFINSS HNTYLTAGQL AGTSSVEMYR QALLWGCRCV DATA SEQUENCE ELDVWKGRPP EEEPFITHGF TMTTEVPLRD VLEAIAETAF KTSPYPVILS DATA SEQUENCE FENHVDSAKQ QAKMAEYCRS IFGDALLIEP LDKYPLAPGV PLPSPQDLMG DATA SEQUENCE RILVKNKKRH XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXTDEGTAS SEVNATEEMS TLVNYIEPVK FKSFEAARKR DATA SEQUENCE NKCFEMSSFV ETKAMEQLTK SPMEFVEYNK QQLSRIYPKG TRVDSSNYMP DATA SEQUENCE QLFWNVGCQL VALNFQTLDV AMQLNAGVFE YNGRSGYLLK PEFMRRPDKS DATA SEQUENCE FDPFTEVIVD GIVANALRVK VISGQFLSDR KVGIYVEVDM FGLPVDTRRK DATA SEQUENCE YRTRTSQGNS FNPVWDEEPF DFPKVVLPTL ASLRIAAFEE GGKFVGHRIL DATA SEQUENCE PVSAIRSGYH YVCLRNEANQ PLCLPALLIY TEASDYIPDD HQDYAEALIN DATA SEQUENCE PIKHVSLMDQ RARQLAALIG E 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.007 176.000 0.012 0.000 1.003 12 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 12 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 13 L N 4.115 125.347 121.223 0.016 0.000 2.747 13 L HA 0.029 4.360 4.340 -0.016 0.000 0.286 13 L C 0.444 177.315 176.870 0.003 0.000 1.216 13 L CA 1.103 55.949 54.840 0.010 0.000 0.930 13 L CB -0.117 41.951 42.059 0.016 0.000 1.216 13 L HN 0.658 nan 8.230 nan 0.000 0.486 14 E N 4.444 124.640 120.200 -0.007 0.000 2.275 14 E HA 0.483 4.824 4.350 -0.016 0.000 0.270 14 E C -2.852 173.733 176.600 -0.026 0.000 0.882 14 E CA -2.797 53.594 56.400 -0.014 0.000 0.758 14 E CB 1.681 31.372 29.700 -0.015 0.000 1.195 14 E HN 0.152 nan 8.360 nan 0.000 0.419 15 P HA 0.110 nan 4.420 nan 0.000 0.265 15 P C -2.298 174.965 177.300 -0.061 0.000 1.193 15 P CA -0.745 62.327 63.100 -0.046 0.000 0.765 15 P CB -0.200 31.473 31.700 -0.044 0.000 0.823 16 P HA 0.056 nan 4.420 nan 0.000 0.275 16 P C -0.580 176.657 177.300 -0.104 0.000 1.276 16 P CA 0.002 63.048 63.100 -0.090 0.000 0.782 16 P CB 0.017 31.655 31.700 -0.104 0.000 0.851 17 T N 0.741 115.244 114.554 -0.086 0.000 2.817 17 T HA 0.323 4.664 4.350 -0.016 0.000 0.293 17 T C 0.422 175.063 174.700 -0.098 0.000 0.964 17 T CA -0.713 61.334 62.100 -0.088 0.000 1.085 17 T CB 0.762 69.590 68.868 -0.067 0.000 0.921 17 T HN 0.095 nan 8.240 nan 0.000 0.502 18 V N 4.560 124.409 119.914 -0.109 0.000 2.406 18 V HA 0.304 4.414 4.120 -0.016 0.000 0.272 18 V C 0.907 176.933 176.094 -0.114 0.000 1.043 18 V CA -0.914 61.312 62.300 -0.123 0.000 0.915 18 V CB 0.664 32.417 31.823 -0.117 0.000 0.988 18 V HN 0.936 nan 8.190 nan 0.000 0.466 19 V N 2.269 122.101 119.914 -0.138 0.000 3.051 19 V HA 0.315 4.426 4.120 -0.016 0.000 0.306 19 V C 1.500 177.528 176.094 -0.111 0.000 1.083 19 V CA -0.098 62.132 62.300 -0.116 0.000 1.104 19 V CB 0.855 32.605 31.823 -0.123 0.000 1.027 19 V HN 0.819 nan 8.190 nan 0.000 0.483 20 E N 2.231 122.389 120.200 -0.071 0.000 2.070 20 E HA -0.191 4.150 4.350 -0.016 0.000 0.197 20 E C 1.831 178.406 176.600 -0.041 0.000 1.004 20 E CA 2.598 58.972 56.400 -0.043 0.000 0.805 20 E CB -0.858 28.829 29.700 -0.021 0.000 0.744 20 E HN 0.996 nan 8.360 nan 0.000 0.451 21 T N 0.360 114.879 114.554 -0.060 0.000 2.699 21 T HA -0.171 4.169 4.350 -0.016 0.000 0.268 21 T C 1.637 176.313 174.700 -0.039 0.000 1.036 21 T CA 1.553 63.641 62.100 -0.021 0.000 1.147 21 T CB -0.247 68.600 68.868 -0.034 0.000 0.862 21 T HN 0.082 nan 8.240 nan 0.000 0.446 22 L N 0.111 121.181 121.223 -0.256 0.000 2.270 22 L HA 0.168 4.498 4.340 -0.016 0.000 0.210 22 L C 2.570 179.396 176.870 -0.073 0.000 1.104 22 L CA 1.184 55.792 54.840 -0.387 0.000 0.804 22 L CB -0.458 41.152 42.059 -0.748 0.000 0.937 22 L HN 0.084 nan 8.230 nan 0.000 0.450 23 R N -0.677 119.795 120.500 -0.047 0.000 2.061 23 R HA -0.086 4.244 4.340 -0.016 0.000 0.230 23 R C 2.400 178.739 176.300 0.065 0.000 1.140 23 R CA 1.277 57.389 56.100 0.022 0.000 0.940 23 R CB -0.326 29.978 30.300 0.007 0.000 0.839 23 R HN 0.234 nan 8.270 nan 0.000 0.429 24 R N -0.276 120.261 120.500 0.062 0.000 2.096 24 R HA -0.056 4.275 4.340 -0.016 0.000 0.229 24 R C 0.685 177.054 176.300 0.115 0.000 1.134 24 R CA 1.405 57.554 56.100 0.082 0.000 0.917 24 R CB -0.237 30.108 30.300 0.075 0.000 0.832 24 R HN 0.433 nan 8.270 nan 0.000 0.430 25 G N -1.849 107.062 108.800 0.186 0.000 2.326 25 G HA2 0.064 4.015 3.960 -0.016 0.000 0.413 25 G HA3 0.064 4.015 3.960 -0.016 0.000 0.413 25 G C -1.326 173.748 174.900 0.290 0.000 1.444 25 G CA -0.687 44.565 45.100 0.253 0.000 1.002 25 G HN 0.242 nan 8.290 nan 0.000 0.649 26 S N -0.203 115.664 115.700 0.278 0.000 2.579 26 S HA 0.710 5.171 4.470 -0.016 0.000 0.272 26 S C -0.824 173.821 174.600 0.075 0.000 1.141 26 S CA -1.003 57.303 58.200 0.176 0.000 0.843 26 S CB 2.026 65.405 63.200 0.299 0.000 1.122 26 S HN 0.682 nan 8.310 nan 0.000 0.468 27 K N 1.199 121.557 120.400 -0.071 0.000 2.174 27 K HA 0.674 4.985 4.320 -0.016 0.000 0.275 27 K C -1.250 175.217 176.600 -0.221 0.000 1.015 27 K CA 0.001 56.252 56.287 -0.060 0.000 0.933 27 K CB 0.538 32.999 32.500 -0.065 0.000 1.025 27 K HN 0.543 nan 8.250 nan 0.000 0.463 28 F N 0.787 120.684 119.950 -0.088 0.000 2.654 28 F HA 0.396 4.910 4.527 -0.021 0.000 0.308 28 F C -0.337 175.474 175.800 0.019 0.000 1.108 28 F CA -0.924 57.041 58.000 -0.058 0.000 0.957 28 F CB 1.351 40.280 39.000 -0.118 0.000 1.309 28 F HN 0.214 nan 8.300 nan 0.000 0.446 29 I N 2.417 123.145 120.570 0.263 0.000 2.377 29 I HA 0.350 4.511 4.170 -0.016 0.000 0.293 29 I C -0.444 175.764 176.117 0.152 0.000 0.987 29 I CA -0.652 60.764 61.300 0.193 0.000 1.185 29 I CB 1.582 39.683 38.000 0.167 0.000 1.341 29 I HN 0.354 nan 8.210 nan 0.000 0.455 30 K N 7.999 128.393 120.400 -0.009 0.000 2.211 30 K HA 0.422 4.733 4.320 -0.016 0.000 0.275 30 K C -1.673 174.857 176.600 -0.117 0.000 1.024 30 K CA -0.537 55.531 56.287 -0.366 0.000 0.887 30 K CB 1.235 33.451 32.500 -0.473 0.000 1.084 30 K HN 0.761 nan 8.250 nan 0.000 0.463 31 W N 3.478 124.592 121.300 -0.310 0.000 3.372 31 W HA 0.260 4.910 4.660 -0.016 0.000 0.315 31 W C -1.230 175.184 176.519 -0.175 0.000 1.223 31 W CA -0.984 56.251 57.345 -0.183 0.000 1.202 31 W CB 0.184 29.571 29.460 -0.122 0.000 1.367 31 W HN 0.558 nan 8.180 nan 0.000 0.531 32 D N 0.183 120.662 120.400 0.133 0.000 2.567 32 D HA 0.205 4.835 4.640 -0.016 0.000 0.275 32 D C 0.856 177.416 176.300 0.434 0.000 1.195 32 D CA -0.397 53.677 54.000 0.124 0.000 1.087 32 D CB 0.844 41.653 40.800 0.015 0.000 1.165 32 D HN 0.264 nan 8.370 nan 0.000 0.609 33 E N -0.871 119.485 120.200 0.261 0.000 2.208 33 E HA -0.107 4.234 4.350 -0.016 0.000 0.193 33 E C 0.984 177.642 176.600 0.096 0.000 0.988 33 E CA 0.742 57.255 56.400 0.188 0.000 0.828 33 E CB -0.062 29.706 29.700 0.114 0.000 0.763 33 E HN 0.708 nan 8.360 nan 0.000 0.478 34 E N -0.172 120.079 120.200 0.086 0.000 2.403 34 E HA 0.079 4.420 4.350 -0.016 0.000 0.188 34 E C 0.377 177.007 176.600 0.052 0.000 1.056 34 E CA -0.052 56.379 56.400 0.051 0.000 0.892 34 E CB 0.333 30.057 29.700 0.040 0.000 1.049 34 E HN -0.236 nan 8.360 nan 0.000 0.465 35 T N -0.820 113.779 114.554 0.075 0.000 2.902 35 T HA 0.388 4.729 4.350 -0.016 0.000 0.280 35 T C 0.441 175.157 174.700 0.027 0.000 0.992 35 T CA -0.182 61.958 62.100 0.067 0.000 1.015 35 T CB 1.424 70.364 68.868 0.121 0.000 1.044 35 T HN 0.221 nan 8.240 nan 0.000 0.520 36 S N 0.617 116.329 115.700 0.020 0.000 3.730 36 S HA 0.182 4.642 4.470 -0.016 0.000 0.218 36 S C 0.371 174.969 174.600 -0.004 0.000 1.053 36 S CA -0.380 57.820 58.200 -0.001 0.000 0.878 36 S CB -0.165 63.037 63.200 0.003 0.000 1.064 36 S HN 0.825 nan 8.310 nan 0.000 0.583 37 S N 3.022 118.727 115.700 0.009 0.000 2.528 37 S HA 0.366 4.827 4.470 -0.016 0.000 0.277 37 S C 0.004 174.615 174.600 0.018 0.000 1.297 37 S CA -0.583 57.623 58.200 0.010 0.000 1.052 37 S CB 0.454 63.663 63.200 0.016 0.000 0.917 37 S HN 0.397 nan 8.310 nan 0.000 0.492 38 R N 2.576 123.082 120.500 0.009 0.000 2.816 38 R HA -0.086 4.244 4.340 -0.016 0.000 0.344 38 R C -0.477 175.846 176.300 0.039 0.000 1.065 38 R CA 0.287 56.397 56.100 0.018 0.000 0.995 38 R CB -0.935 29.367 30.300 0.004 0.000 0.984 38 R HN 0.811 nan 8.270 nan 0.000 0.435 39 N N 4.131 122.867 118.700 0.059 0.000 2.555 39 N HA 0.058 4.789 4.740 -0.016 0.000 0.244 39 N C -0.694 174.865 175.510 0.082 0.000 1.114 39 N CA -0.464 52.627 53.050 0.068 0.000 0.963 39 N CB 0.422 38.951 38.487 0.071 0.000 1.276 39 N HN 0.394 nan 8.380 nan 0.000 0.510 40 L N 4.117 125.387 121.223 0.078 0.000 2.426 40 L HA 0.393 4.723 4.340 -0.016 0.000 0.271 40 L C -0.474 176.467 176.870 0.118 0.000 1.169 40 L CA -0.063 54.830 54.840 0.089 0.000 0.836 40 L CB 1.075 43.172 42.059 0.063 0.000 1.112 40 L HN 0.356 nan 8.230 nan 0.000 0.465 41 V N -0.259 119.740 119.914 0.142 0.000 3.012 41 V HA 0.659 4.769 4.120 -0.016 0.000 0.307 41 V C -0.450 175.732 176.094 0.148 0.000 1.166 41 V CA -0.720 61.686 62.300 0.176 0.000 0.974 41 V CB 1.683 33.652 31.823 0.243 0.000 1.040 41 V HN 0.707 nan 8.190 nan 0.000 0.428 42 T N 4.283 118.914 114.554 0.128 0.000 2.837 42 T HA 0.736 5.077 4.350 -0.016 0.000 0.285 42 T C -0.663 174.048 174.700 0.018 0.000 0.984 42 T CA -0.251 61.895 62.100 0.078 0.000 1.049 42 T CB 1.421 70.328 68.868 0.064 0.000 0.947 42 T HN 0.607 nan 8.240 nan 0.000 0.472 43 L N 3.511 124.672 121.223 -0.104 0.000 2.322 43 L HA 0.592 4.922 4.340 -0.016 0.000 0.281 43 L C -0.009 176.826 176.870 -0.059 0.000 1.014 43 L CA -0.273 54.373 54.840 -0.324 0.000 0.815 43 L CB 1.087 42.487 42.059 -1.098 0.000 1.247 43 L HN 0.614 nan 8.230 nan 0.000 0.421 44 R N 2.810 123.233 120.500 -0.129 0.000 2.808 44 R HA 0.814 5.145 4.340 -0.016 0.000 0.272 44 R C -1.657 174.629 176.300 -0.023 0.000 0.995 44 R CA -1.016 55.037 56.100 -0.079 0.000 0.917 44 R CB 2.439 32.426 30.300 -0.521 0.000 1.217 44 R HN 0.274 nan 8.270 nan 0.000 0.471 45 V N 2.193 122.183 119.914 0.127 0.000 2.588 45 V HA 0.121 4.232 4.120 -0.016 0.000 0.304 45 V C -0.104 176.144 176.094 0.257 0.000 1.042 45 V CA -0.889 61.538 62.300 0.212 0.000 0.877 45 V CB 1.880 33.730 31.823 0.046 0.000 0.996 45 V HN 0.858 nan 8.190 nan 0.000 0.425 46 D N 5.624 126.241 120.400 0.362 0.000 2.378 46 D HA 0.063 4.694 4.640 -0.016 0.000 0.238 46 D C -1.969 174.349 176.300 0.031 0.000 1.180 46 D CA -1.135 52.987 54.000 0.204 0.000 0.895 46 D CB 1.348 42.243 40.800 0.159 0.000 1.192 46 D HN 0.254 nan 8.370 nan 0.000 0.438 47 P HA -0.082 nan 4.420 nan 0.000 0.225 47 P C 0.701 177.892 177.300 -0.182 0.000 1.148 47 P CA 0.746 63.801 63.100 -0.074 0.000 0.779 47 P CB 0.124 31.797 31.700 -0.046 0.000 0.780 48 N N -0.930 117.577 118.700 -0.320 0.000 2.422 48 N HA 0.034 4.764 4.740 -0.016 0.000 0.181 48 N C 1.383 176.496 175.510 -0.662 0.000 1.080 48 N CA 1.162 53.821 53.050 -0.651 0.000 0.893 48 N CB -0.232 37.467 38.487 -1.313 0.000 0.973 48 N HN 0.152 nan 8.380 nan 0.000 0.456 49 G N 0.620 109.201 108.800 -0.364 0.000 2.143 49 G HA2 -0.275 3.675 3.960 -0.016 0.000 0.248 49 G HA3 -0.275 3.675 3.960 -0.016 0.000 0.248 49 G C 0.529 175.347 174.900 -0.136 0.000 0.991 49 G CA 0.082 45.057 45.100 -0.208 0.000 0.689 49 G HN 0.238 nan 8.290 nan 0.000 0.522 50 F N -0.587 119.307 119.950 -0.093 0.000 2.187 50 F HA 0.440 4.962 4.527 -0.007 0.000 0.295 50 F C 1.227 176.709 175.800 -0.530 0.000 1.091 50 F CA 0.309 58.118 58.000 -0.318 0.000 1.308 50 F CB -0.168 38.679 39.000 -0.254 0.000 1.030 50 F HN 0.142 nan 8.300 nan 0.000 0.487 51 F N -0.267 119.817 119.950 0.222 0.000 2.561 51 F HA 0.373 4.890 4.527 -0.018 0.000 0.313 51 F C -0.377 175.582 175.800 0.265 0.000 1.126 51 F CA -1.195 56.920 58.000 0.193 0.000 0.918 51 F CB 1.601 40.677 39.000 0.127 0.000 1.199 51 F HN -0.419 nan 8.300 nan 0.000 0.444 52 L N 5.867 127.352 121.223 0.436 0.000 2.265 52 L HA 0.423 4.753 4.340 -0.016 0.000 0.288 52 L C -1.500 175.680 176.870 0.517 0.000 1.058 52 L CA -0.427 54.656 54.840 0.404 0.000 0.809 52 L CB 0.544 42.780 42.059 0.294 0.000 1.179 52 L HN 0.776 nan 8.230 nan 0.000 0.429 53 Y N 3.658 124.124 120.300 0.278 0.000 2.524 53 Y HA 0.722 5.262 4.550 -0.017 0.000 0.347 53 Y C -1.436 174.621 175.900 0.263 0.000 1.005 53 Y CA -1.743 56.429 58.100 0.120 0.000 1.025 53 Y CB 0.819 39.245 38.460 -0.057 0.000 1.275 53 Y HN 0.598 nan 8.280 nan 0.000 0.460 54 W N 0.654 121.976 121.300 0.038 0.000 3.032 54 W HA 0.798 5.446 4.660 -0.019 0.000 0.335 54 W C -1.954 174.611 176.519 0.078 0.000 1.154 54 W CA -1.431 55.901 57.345 -0.023 0.000 1.204 54 W CB 1.538 30.990 29.460 -0.013 0.000 1.416 54 W HN 0.647 nan 8.180 nan 0.000 0.521 55 T N 2.615 117.269 114.554 0.166 0.000 2.749 55 T HA 0.597 4.937 4.350 -0.016 0.000 0.287 55 T C 0.449 175.256 174.700 0.178 0.000 0.970 55 T CA -0.158 61.999 62.100 0.095 0.000 0.980 55 T CB 1.274 70.193 68.868 0.085 0.000 0.924 55 T HN 0.800 nan 8.240 nan 0.000 0.456 56 G N 3.055 111.948 108.800 0.154 0.000 3.134 56 G HA2 0.618 4.569 3.960 -0.016 0.000 0.158 56 G HA3 0.618 4.569 3.960 -0.016 0.000 0.158 56 G C -2.485 172.489 174.900 0.123 0.000 1.334 56 G CA -1.171 44.057 45.100 0.212 0.000 1.001 56 G HN 0.517 nan 8.290 nan 0.000 0.600 57 P HA 0.188 nan 4.420 nan 0.000 0.271 57 P C -0.333 176.996 177.300 0.048 0.000 1.233 57 P CA -0.004 63.139 63.100 0.072 0.000 0.764 57 P CB 0.480 32.221 31.700 0.069 0.000 0.825 58 N N 3.081 121.805 118.700 0.039 0.000 2.776 58 N HA -0.191 4.540 4.740 -0.016 0.000 0.250 58 N C 0.318 175.839 175.510 0.018 0.000 1.112 58 N CA 0.822 53.886 53.050 0.025 0.000 0.733 58 N CB -0.711 37.786 38.487 0.018 0.000 1.097 58 N HN 0.529 nan 8.380 nan 0.000 0.558 59 M N -2.422 117.194 119.600 0.026 0.000 2.990 59 M HA -0.194 4.276 4.480 -0.016 0.000 0.206 59 M C 0.120 176.418 176.300 -0.002 0.000 0.594 59 M CA 1.110 56.420 55.300 0.017 0.000 0.787 59 M CB -1.379 31.227 32.600 0.010 0.000 2.812 59 M HN 0.316 nan 8.290 nan 0.000 0.300 60 E N 0.716 120.910 120.200 -0.009 0.000 2.354 60 E HA 0.467 4.808 4.350 -0.016 0.000 0.269 60 E C -0.409 176.149 176.600 -0.070 0.000 1.036 60 E CA -0.064 56.312 56.400 -0.041 0.000 0.876 60 E CB 0.963 30.641 29.700 -0.038 0.000 1.009 60 E HN 0.186 nan 8.360 nan 0.000 0.416 61 V N 4.391 124.233 119.914 -0.119 0.000 2.617 61 V HA 0.317 4.428 4.120 -0.016 0.000 0.298 61 V C -0.085 175.811 176.094 -0.330 0.000 1.048 61 V CA -0.423 61.764 62.300 -0.189 0.000 0.964 61 V CB 1.673 33.408 31.823 -0.147 0.000 1.004 61 V HN 0.706 nan 8.190 nan 0.000 0.466 62 D N 1.350 121.375 120.400 -0.627 0.000 2.575 62 D HA 0.644 5.274 4.640 -0.016 0.000 0.236 62 D C -0.648 175.015 176.300 -1.063 0.000 1.075 62 D CA -0.101 53.387 54.000 -0.853 0.000 0.860 62 D CB 2.672 42.888 40.800 -0.973 0.000 1.475 62 D HN 0.735 nan 8.370 nan 0.000 0.474 63 T N -0.941 113.230 114.554 -0.638 0.000 2.900 63 T HA 0.631 4.972 4.350 -0.016 0.000 0.295 63 T C -0.809 173.909 174.700 0.030 0.000 1.044 63 T CA -0.838 61.102 62.100 -0.266 0.000 0.995 63 T CB 1.879 70.604 68.868 -0.238 0.000 1.072 63 T HN 0.147 nan 8.240 nan 0.000 0.473 64 L N 1.885 123.293 121.223 0.308 0.000 2.362 64 L HA 0.557 4.887 4.340 -0.016 0.000 0.275 64 L C -0.754 176.331 176.870 0.357 0.000 0.998 64 L CA -0.401 54.645 54.840 0.344 0.000 0.820 64 L CB 1.732 44.022 42.059 0.384 0.000 1.270 64 L HN 0.806 nan 8.230 nan 0.000 0.415 65 D N 4.304 124.849 120.400 0.242 0.000 2.349 65 D HA 0.049 4.680 4.640 -0.016 0.000 0.266 65 D C 1.392 177.656 176.300 -0.060 0.000 1.293 65 D CA 0.467 54.452 54.000 -0.026 0.000 0.926 65 D CB 0.490 41.286 40.800 -0.006 0.000 1.090 65 D HN 0.575 nan 8.370 nan 0.000 0.502 66 I N 2.332 122.837 120.570 -0.108 0.000 2.399 66 I HA -0.307 3.854 4.170 -0.016 0.000 0.254 66 I C 2.126 178.202 176.117 -0.068 0.000 1.146 66 I CA 1.197 62.468 61.300 -0.048 0.000 1.412 66 I CB -0.149 37.828 38.000 -0.038 0.000 1.076 66 I HN 0.388 nan 8.210 nan 0.000 0.432 67 S N -0.734 114.911 115.700 -0.091 0.000 2.607 67 S HA -0.020 4.440 4.470 -0.016 0.000 0.224 67 S C 1.632 176.191 174.600 -0.068 0.000 0.969 67 S CA 0.520 58.679 58.200 -0.068 0.000 0.927 67 S CB -0.337 62.842 63.200 -0.036 0.000 0.772 67 S HN 0.495 nan 8.310 nan 0.000 0.533 68 S N 0.184 115.846 115.700 -0.063 0.000 2.539 68 S HA 0.397 4.858 4.470 -0.016 0.000 0.221 68 S C 0.289 174.839 174.600 -0.082 0.000 0.987 68 S CA -0.674 57.485 58.200 -0.069 0.000 0.929 68 S CB -0.597 62.580 63.200 -0.040 0.000 0.832 68 S HN 0.492 nan 8.310 nan 0.000 0.492 69 I N 2.700 123.226 120.570 -0.072 0.000 2.556 69 I HA 0.222 4.383 4.170 -0.016 0.000 0.284 69 I C 1.610 177.663 176.117 -0.105 0.000 1.114 69 I CA -0.320 60.938 61.300 -0.070 0.000 1.418 69 I CB 0.848 38.829 38.000 -0.033 0.000 1.394 69 I HN 0.182 nan 8.210 nan 0.000 0.552 70 R N 2.821 123.254 120.500 -0.112 0.000 2.146 70 R HA 0.185 4.516 4.340 -0.016 0.000 0.206 70 R C -0.254 176.042 176.300 -0.008 0.000 1.049 70 R CA 0.276 56.305 56.100 -0.118 0.000 1.029 70 R CB 0.196 30.389 30.300 -0.178 0.000 0.949 70 R HN 0.653 nan 8.270 nan 0.000 0.471 71 D N -0.198 120.218 120.400 0.026 0.000 2.654 71 D HA 0.104 4.734 4.640 -0.016 0.000 0.231 71 D C -1.454 174.928 176.300 0.137 0.000 1.239 71 D CA -0.452 53.646 54.000 0.162 0.000 0.790 71 D CB 1.857 42.717 40.800 0.099 0.000 1.480 71 D HN 0.011 nan 8.370 nan 0.000 0.442 72 T N -0.099 114.581 114.554 0.211 0.000 2.856 72 T HA 0.837 5.178 4.350 -0.016 0.000 0.283 72 T C -0.450 174.285 174.700 0.058 0.000 1.008 72 T CA -0.968 61.211 62.100 0.131 0.000 0.997 72 T CB 1.458 70.431 68.868 0.175 0.000 0.992 72 T HN 0.399 nan 8.240 nan 0.000 0.454 73 R N 1.128 121.686 120.500 0.096 0.000 2.744 73 R HA 0.781 5.112 4.340 -0.016 0.000 0.279 73 R C -0.550 175.843 176.300 0.154 0.000 0.977 73 R CA -0.907 55.265 56.100 0.121 0.000 0.906 73 R CB 2.333 32.734 30.300 0.168 0.000 1.197 73 R HN 0.774 nan 8.270 nan 0.000 0.463 74 T N -0.612 114.048 114.554 0.176 0.000 2.573 74 T HA 0.555 4.895 4.350 -0.016 0.000 0.259 74 T C 0.810 175.596 174.700 0.142 0.000 0.886 74 T CA 0.448 62.645 62.100 0.161 0.000 1.110 74 T CB 1.016 69.971 68.868 0.145 0.000 1.421 74 T HN 0.752 nan 8.240 nan 0.000 0.523 75 G N 1.956 110.813 108.800 0.095 0.000 2.685 75 G HA2 -0.407 3.543 3.960 -0.016 0.000 0.357 75 G HA3 -0.407 3.543 3.960 -0.016 0.000 0.357 75 G C 1.023 175.912 174.900 -0.018 0.000 1.272 75 G CA 1.876 46.992 45.100 0.028 0.000 0.972 75 G HN 1.053 nan 8.290 nan 0.000 0.550 76 R N -0.754 119.654 120.500 -0.153 0.000 2.189 76 R HA 0.121 4.451 4.340 -0.016 0.000 0.218 76 R C 2.251 178.424 176.300 -0.211 0.000 1.074 76 R CA 1.972 57.931 56.100 -0.235 0.000 0.991 76 R CB -0.326 29.742 30.300 -0.387 0.000 0.883 76 R HN 0.576 nan 8.270 nan 0.000 0.457 77 Y N 1.476 121.802 120.300 0.044 0.000 2.523 77 Y HA 0.324 4.864 4.550 -0.017 0.000 0.279 77 Y C 1.344 177.287 175.900 0.073 0.000 1.139 77 Y CA -0.292 57.839 58.100 0.052 0.000 1.296 77 Y CB -0.149 38.338 38.460 0.045 0.000 1.045 77 Y HN 0.135 nan 8.280 nan 0.000 0.538 78 A N 1.426 124.364 122.820 0.196 0.000 2.462 78 A HA 0.148 4.458 4.320 -0.016 0.000 0.243 78 A C 0.603 178.278 177.584 0.152 0.000 1.076 78 A CA -0.547 51.593 52.037 0.173 0.000 0.773 78 A CB -0.081 19.015 19.000 0.161 0.000 1.010 78 A HN 0.423 nan 8.150 nan 0.000 0.493 79 R N 2.426 123.012 120.500 0.143 0.000 2.446 79 R HA 0.177 4.508 4.340 -0.016 0.000 0.325 79 R C -0.691 175.746 176.300 0.229 0.000 0.997 79 R CA -0.373 55.795 56.100 0.114 0.000 1.010 79 R CB -0.301 30.006 30.300 0.012 0.000 0.946 79 R HN 0.491 nan 8.270 nan 0.000 0.422 80 L N 6.723 128.042 121.223 0.161 0.000 2.464 80 L HA 0.359 4.690 4.340 -0.016 0.000 0.264 80 L C -1.820 175.136 176.870 0.144 0.000 1.199 80 L CA -2.267 52.657 54.840 0.139 0.000 0.818 80 L CB 0.092 42.178 42.059 0.046 0.000 1.102 80 L HN 0.671 nan 8.230 nan 0.000 0.473 81 P HA 0.357 nan 4.420 nan 0.000 0.296 81 P C -0.430 176.786 177.300 -0.139 0.000 1.306 81 P CA -0.592 62.370 63.100 -0.229 0.000 0.818 81 P CB 1.722 33.014 31.700 -0.681 0.000 0.969 82 K N 1.093 121.443 120.400 -0.085 0.000 2.107 82 K HA 0.033 4.344 4.320 -0.016 0.000 0.211 82 K C 0.376 176.927 176.600 -0.082 0.000 1.024 82 K CA 0.325 56.574 56.287 -0.063 0.000 0.953 82 K CB -0.666 31.815 32.500 -0.030 0.000 0.831 82 K HN 0.453 nan 8.250 nan 0.000 0.454 83 D N 2.553 122.910 120.400 -0.072 0.000 2.531 83 D HA -0.035 4.596 4.640 -0.016 0.000 0.239 83 D C -1.845 174.401 176.300 -0.090 0.000 1.144 83 D CA -1.229 52.732 54.000 -0.066 0.000 0.869 83 D CB 1.030 41.801 40.800 -0.047 0.000 1.160 83 D HN -0.149 nan 8.370 nan 0.000 0.484 84 P HA -0.289 nan 4.420 nan 0.000 0.219 84 P C 1.156 178.403 177.300 -0.089 0.000 1.161 84 P CA 1.783 64.837 63.100 -0.077 0.000 0.909 84 P CB 0.100 31.767 31.700 -0.056 0.000 0.793 85 K N -0.280 120.075 120.400 -0.076 0.000 2.001 85 K HA -0.171 4.140 4.320 -0.016 0.000 0.214 85 K C 2.223 178.760 176.600 -0.105 0.000 1.050 85 K CA 1.912 58.155 56.287 -0.072 0.000 0.934 85 K CB -1.657 30.812 32.500 -0.052 0.000 0.718 85 K HN 0.370 nan 8.250 nan 0.000 0.443 86 I N -1.058 119.428 120.570 -0.140 0.000 2.226 86 I HA -0.180 3.981 4.170 -0.016 0.000 0.245 86 I C 2.474 178.426 176.117 -0.275 0.000 1.100 86 I CA 1.260 62.422 61.300 -0.231 0.000 1.374 86 I CB -0.424 37.386 38.000 -0.318 0.000 1.057 86 I HN -0.063 nan 8.210 nan 0.000 0.413 87 R N 1.418 121.777 120.500 -0.235 0.000 2.174 87 R HA -0.272 4.059 4.340 -0.016 0.000 0.253 87 R C 1.972 178.175 176.300 -0.162 0.000 1.165 87 R CA 2.103 58.081 56.100 -0.204 0.000 0.984 87 R CB -0.557 29.657 30.300 -0.144 0.000 0.873 87 R HN 0.722 nan 8.270 nan 0.000 0.456 88 E N -0.796 119.323 120.200 -0.135 0.000 1.995 88 E HA -0.132 4.208 4.350 -0.016 0.000 0.207 88 E C 0.105 176.636 176.600 -0.115 0.000 1.016 88 E CA 1.889 58.225 56.400 -0.106 0.000 0.865 88 E CB -0.086 29.563 29.700 -0.085 0.000 0.797 88 E HN 0.100 nan 8.360 nan 0.000 0.491 100 E N 3.446 123.642 120.200 -0.006 0.000 3.588 100 E HA 0.183 4.523 4.350 -0.016 0.000 0.213 100 E C 0.142 176.758 176.600 0.028 0.000 1.168 100 E CA -0.130 56.276 56.400 0.010 0.000 1.254 100 E CB 0.681 30.387 29.700 0.010 0.000 1.302 100 E HN 0.667 nan 8.360 nan 0.000 0.429 101 E N 1.206 121.420 120.200 0.024 0.000 2.301 101 E HA -0.058 4.283 4.350 -0.016 0.000 0.195 101 E C 0.591 177.226 176.600 0.059 0.000 1.171 101 E CA 0.073 56.498 56.400 0.042 0.000 1.142 101 E CB -0.248 29.470 29.700 0.031 0.000 1.218 101 E HN 0.235 nan 8.360 nan 0.000 0.448 102 K N 0.380 120.815 120.400 0.058 0.000 2.413 102 K HA 0.241 4.552 4.320 -0.016 0.000 0.204 102 K C 0.283 176.955 176.600 0.121 0.000 1.041 102 K CA -0.439 55.887 56.287 0.064 0.000 1.082 102 K CB 0.362 32.868 32.500 0.010 0.000 0.871 102 K HN 0.042 nan 8.250 nan 0.000 0.535 103 L N 2.041 123.347 121.223 0.139 0.000 2.395 103 L HA 0.422 4.752 4.340 -0.016 0.000 0.269 103 L C -0.193 176.800 176.870 0.205 0.000 1.133 103 L CA -0.421 54.539 54.840 0.199 0.000 0.812 103 L CB 1.336 43.508 42.059 0.189 0.000 1.125 103 L HN 0.276 nan 8.230 nan 0.000 0.452 104 M N 1.884 121.619 119.600 0.225 0.000 2.371 104 M HA 0.422 4.892 4.480 -0.016 0.000 0.287 104 M C -1.558 174.822 176.300 0.134 0.000 1.149 104 M CA -0.220 55.196 55.300 0.194 0.000 0.929 104 M CB 2.467 35.200 32.600 0.222 0.000 1.683 104 M HN 0.478 nan 8.290 nan 0.000 0.470 105 T N 2.949 117.578 114.554 0.125 0.000 2.886 105 T HA 0.658 4.999 4.350 -0.016 0.000 0.292 105 T C -1.343 173.423 174.700 0.109 0.000 1.012 105 T CA -0.522 61.638 62.100 0.100 0.000 0.982 105 T CB 2.046 71.002 68.868 0.147 0.000 1.018 105 T HN 0.447 nan 8.240 nan 0.000 0.451 106 V N 3.427 123.392 119.914 0.084 0.000 2.444 106 V HA 0.551 4.661 4.120 -0.016 0.000 0.294 106 V C -0.461 175.610 176.094 -0.039 0.000 1.022 106 V CA -0.675 61.655 62.300 0.050 0.000 0.850 106 V CB 1.830 33.694 31.823 0.067 0.000 0.992 106 V HN 0.727 nan 8.190 nan 0.000 0.426 107 V N 4.578 124.423 119.914 -0.116 0.000 2.459 107 V HA 0.878 4.989 4.120 -0.016 0.000 0.295 107 V C -0.024 175.931 176.094 -0.233 0.000 1.029 107 V CA -0.199 61.890 62.300 -0.352 0.000 0.874 107 V CB 1.836 33.375 31.823 -0.474 0.000 0.985 107 V HN 1.058 nan 8.190 nan 0.000 0.438 108 S N 2.343 117.892 115.700 -0.252 0.000 2.588 108 S HA 1.000 5.460 4.470 -0.016 0.000 0.269 108 S C -0.465 174.048 174.600 -0.146 0.000 1.157 108 S CA -0.158 57.950 58.200 -0.154 0.000 0.824 108 S CB 1.989 65.147 63.200 -0.069 0.000 1.126 108 S HN 2.040 nan 8.310 nan 0.000 0.464 109 G N 0.342 109.072 108.800 -0.117 0.000 2.361 109 G HA2 0.400 4.351 3.960 -0.016 0.000 0.305 109 G HA3 0.400 4.351 3.960 -0.016 0.000 0.305 109 G C -3.172 171.659 174.900 -0.115 0.000 1.367 109 G CA -0.235 44.808 45.100 -0.095 0.000 0.951 109 G HN 0.611 nan 8.290 nan 0.000 0.615 110 P HA 0.214 nan 4.420 nan 0.000 0.249 110 P C -0.203 177.025 177.300 -0.120 0.000 1.229 110 P CA 1.241 64.289 63.100 -0.086 0.000 0.788 110 P CB -0.186 31.492 31.700 -0.038 0.000 1.072 111 D N -5.077 115.231 120.400 -0.153 0.000 2.926 111 D HA 0.095 4.725 4.640 -0.016 0.000 0.272 111 D C -2.722 173.482 176.300 -0.160 0.000 1.172 111 D CA -1.443 52.445 54.000 -0.186 0.000 0.731 111 D CB -0.411 40.340 40.800 -0.081 0.000 1.282 111 D HN -0.401 nan 8.370 nan 0.000 0.430 112 P HA -0.279 nan 4.420 nan 0.000 0.222 112 P C 1.519 178.811 177.300 -0.013 0.000 1.159 112 P CA 1.649 64.710 63.100 -0.064 0.000 0.920 112 P CB 0.117 31.853 31.700 0.060 0.000 0.793 113 V N -0.883 119.037 119.914 0.009 0.000 2.358 113 V HA -0.141 3.969 4.120 -0.016 0.000 0.246 113 V C 1.104 177.213 176.094 0.025 0.000 1.047 113 V CA 1.736 64.054 62.300 0.030 0.000 1.035 113 V CB -1.098 30.746 31.823 0.035 0.000 0.658 113 V HN 0.156 nan 8.190 nan 0.000 0.452 114 N N 1.117 119.816 118.700 -0.001 0.000 2.758 114 N HA 0.091 4.822 4.740 -0.016 0.000 0.293 114 N C 0.371 175.867 175.510 -0.024 0.000 1.273 114 N CA 0.128 53.179 53.050 0.002 0.000 1.022 114 N CB 0.124 38.609 38.487 -0.002 0.000 1.334 114 N HN 0.657 nan 8.380 nan 0.000 0.519 115 T N -1.866 112.667 114.554 -0.035 0.000 2.901 115 T HA 0.338 4.679 4.350 -0.016 0.000 0.301 115 T C 0.431 175.082 174.700 -0.082 0.000 1.012 115 T CA -0.491 61.534 62.100 -0.126 0.000 1.135 115 T CB 1.107 69.832 68.868 -0.238 0.000 0.936 115 T HN -0.121 nan 8.240 nan 0.000 0.539 116 V N 3.499 123.330 119.914 -0.138 0.000 2.513 116 V HA 0.567 4.677 4.120 -0.016 0.000 0.299 116 V C -0.430 175.559 176.094 -0.175 0.000 1.035 116 V CA -1.004 61.272 62.300 -0.040 0.000 0.889 116 V CB 0.878 32.704 31.823 0.004 0.000 0.988 116 V HN 0.838 nan 8.190 nan 0.000 0.440 117 F N 4.086 124.016 119.950 -0.033 0.000 2.470 117 F HA 0.812 5.330 4.527 -0.016 0.000 0.329 117 F C -0.228 175.491 175.800 -0.136 0.000 1.072 117 F CA -0.844 57.115 58.000 -0.069 0.000 0.989 117 F CB 1.696 40.647 39.000 -0.082 0.000 1.193 117 F HN 0.197 nan 8.300 nan 0.000 0.481 118 L N 3.157 124.377 121.223 -0.005 0.000 2.516 118 L HA 0.371 4.702 4.340 -0.016 0.000 0.267 118 L C -1.090 175.544 176.870 -0.393 0.000 0.957 118 L CA -0.517 54.183 54.840 -0.233 0.000 0.860 118 L CB 1.813 43.818 42.059 -0.090 0.000 1.265 118 L HN 0.470 nan 8.230 nan 0.000 0.403 119 N N 3.451 121.649 118.700 -0.837 0.000 2.424 119 N HA 0.566 5.297 4.740 -0.016 0.000 0.271 119 N C -1.394 173.442 175.510 -1.122 0.000 0.985 119 N CA -0.223 52.243 53.050 -0.973 0.000 0.921 119 N CB 1.674 39.058 38.487 -1.839 0.000 1.149 119 N HN 0.264 nan 8.380 nan 0.000 0.492 120 F N 1.391 121.123 119.950 -0.364 0.000 2.499 120 F HA 0.389 4.910 4.527 -0.011 0.000 0.333 120 F C 0.433 176.340 175.800 0.179 0.000 1.138 120 F CA -0.783 57.106 58.000 -0.185 0.000 0.945 120 F CB 1.680 40.389 39.000 -0.486 0.000 1.181 120 F HN 0.182 nan 8.300 nan 0.000 0.435 121 M N 3.653 123.518 119.600 0.442 0.000 2.157 121 M HA 0.715 5.186 4.480 -0.016 0.000 0.354 121 M C -0.492 175.925 176.300 0.195 0.000 1.170 121 M CA -0.511 55.010 55.300 0.369 0.000 1.060 121 M CB 1.052 33.856 32.600 0.341 0.000 1.615 121 M HN 0.696 nan 8.290 nan 0.000 0.460 122 A N 4.750 127.551 122.820 -0.032 0.000 2.451 122 A HA 0.247 4.558 4.320 -0.016 0.000 0.266 122 A C 0.695 178.100 177.584 -0.298 0.000 1.119 122 A CA -0.412 51.300 52.037 -0.542 0.000 0.786 122 A CB 0.461 19.169 19.000 -0.485 0.000 1.061 122 A HN 0.940 nan 8.150 nan 0.000 0.503 123 V N 2.443 122.168 119.914 -0.315 0.000 2.323 123 V HA -0.094 4.016 4.120 -0.016 0.000 0.244 123 V C 1.461 177.462 176.094 -0.154 0.000 1.041 123 V CA 2.348 64.549 62.300 -0.165 0.000 1.025 123 V CB -0.513 31.241 31.823 -0.115 0.000 0.656 123 V HN 1.026 nan 8.190 nan 0.000 0.451 124 Q N 0.480 120.161 119.800 -0.198 0.000 2.535 124 Q HA 0.110 4.441 4.340 -0.016 0.000 0.228 124 Q C -0.528 175.395 176.000 -0.128 0.000 1.062 124 Q CA 0.456 56.178 55.803 -0.135 0.000 0.967 124 Q CB 0.477 29.142 28.738 -0.120 0.000 1.273 124 Q HN 0.519 nan 8.270 nan 0.000 0.554 125 D N 0.175 120.533 120.400 -0.070 0.000 2.299 125 D HA 0.136 4.766 4.640 -0.016 0.000 0.243 125 D C -0.520 175.771 176.300 -0.015 0.000 0.982 125 D CA 0.443 54.417 54.000 -0.044 0.000 0.924 125 D CB 1.263 42.046 40.800 -0.027 0.000 1.238 125 D HN 0.757 nan 8.370 nan 0.000 0.484 126 D N -0.934 119.469 120.400 0.005 0.000 2.903 126 D HA -0.284 4.346 4.640 -0.016 0.000 0.228 126 D C 0.812 177.153 176.300 0.068 0.000 1.178 126 D CA 1.835 55.857 54.000 0.037 0.000 0.740 126 D CB -1.846 38.973 40.800 0.032 0.000 1.077 126 D HN 0.405 nan 8.370 nan 0.000 0.419 127 T N -4.983 109.610 114.554 0.065 0.000 3.035 127 T HA 0.351 4.692 4.350 -0.016 0.000 0.259 127 T C 2.076 176.953 174.700 0.295 0.000 1.078 127 T CA 0.898 63.093 62.100 0.159 0.000 1.132 127 T CB -0.279 68.654 68.868 0.108 0.000 0.900 127 T HN 0.456 nan 8.240 nan 0.000 0.480 128 A N 2.207 125.144 122.820 0.196 0.000 1.972 128 A HA -0.030 4.281 4.320 -0.016 0.000 0.219 128 A C 2.365 180.134 177.584 0.308 0.000 1.169 128 A CA 1.891 54.123 52.037 0.325 0.000 0.635 128 A CB -0.706 18.438 19.000 0.241 0.000 0.810 128 A HN 0.611 nan 8.150 nan 0.000 0.446 129 K N -0.332 120.192 120.400 0.207 0.000 2.002 129 K HA -0.089 4.222 4.320 -0.016 0.000 0.209 129 K C 1.797 178.500 176.600 0.173 0.000 1.048 129 K CA 1.633 58.018 56.287 0.164 0.000 0.930 129 K CB -0.373 32.192 32.500 0.109 0.000 0.714 129 K HN 0.149 nan 8.250 nan 0.000 0.438 130 V N 0.556 120.574 119.914 0.173 0.000 2.282 130 V HA -0.271 3.840 4.120 -0.016 0.000 0.249 130 V C 1.944 178.099 176.094 0.102 0.000 1.057 130 V CA 2.174 64.542 62.300 0.114 0.000 1.032 130 V CB -0.609 31.265 31.823 0.084 0.000 0.645 130 V HN 0.480 nan 8.190 nan 0.000 0.447 131 W N 0.026 121.386 121.300 0.100 0.000 2.315 131 W HA -0.248 4.415 4.660 0.005 0.000 0.323 131 W C 3.093 179.642 176.519 0.051 0.000 1.233 131 W CA 2.333 59.725 57.345 0.078 0.000 1.267 131 W CB -1.184 28.353 29.460 0.128 0.000 1.160 131 W HN 0.098 nan 8.180 nan 0.000 0.474 132 S N -0.127 115.755 115.700 0.305 0.000 2.389 132 S HA -0.296 4.165 4.470 -0.016 0.000 0.231 132 S C 1.591 176.280 174.600 0.149 0.000 1.052 132 S CA 2.124 60.440 58.200 0.194 0.000 1.053 132 S CB -0.333 62.963 63.200 0.160 0.000 0.886 132 S HN 0.379 nan 8.310 nan 0.000 0.456 133 E N -0.242 120.027 120.200 0.116 0.000 2.158 133 E HA -0.028 4.312 4.350 -0.016 0.000 0.191 133 E C 2.272 178.946 176.600 0.123 0.000 0.982 133 E CA 0.742 57.204 56.400 0.103 0.000 0.823 133 E CB 0.007 29.745 29.700 0.064 0.000 0.766 133 E HN 0.436 nan 8.360 nan 0.000 0.468 134 E N 0.689 120.916 120.200 0.045 0.000 2.112 134 E HA -0.067 4.274 4.350 -0.016 0.000 0.190 134 E C 2.242 178.837 176.600 -0.009 0.000 0.979 134 E CA 0.396 56.781 56.400 -0.025 0.000 0.814 134 E CB 0.001 29.609 29.700 -0.153 0.000 0.762 134 E HN 0.280 nan 8.360 nan 0.000 0.460 135 L N 0.183 121.424 121.223 0.030 0.000 2.042 135 L HA -0.193 4.137 4.340 -0.016 0.000 0.210 135 L C 2.451 179.375 176.870 0.091 0.000 1.076 135 L CA 1.063 55.937 54.840 0.057 0.000 0.749 135 L CB -0.390 41.737 42.059 0.113 0.000 0.893 135 L HN 0.065 nan 8.230 nan 0.000 0.432 136 F N 0.937 120.886 119.950 -0.002 0.000 2.069 136 F HA -0.281 4.234 4.527 -0.020 0.000 0.298 136 F C 2.504 178.298 175.800 -0.010 0.000 1.113 136 F CA 1.739 59.739 58.000 -0.001 0.000 1.214 136 F CB -0.211 38.796 39.000 0.012 0.000 0.978 136 F HN -0.114 nan 8.300 nan 0.000 0.474 137 K N 0.207 120.653 120.400 0.076 0.000 2.015 137 K HA -0.244 4.066 4.320 -0.016 0.000 0.216 137 K C 2.078 178.617 176.600 -0.102 0.000 1.052 137 K CA 2.291 58.559 56.287 -0.030 0.000 0.937 137 K CB -0.823 31.687 32.500 0.018 0.000 0.719 137 K HN 0.331 nan 8.250 nan 0.000 0.446 138 L N 0.545 121.720 121.223 -0.080 0.000 2.043 138 L HA -0.238 4.093 4.340 -0.016 0.000 0.212 138 L C 2.620 179.421 176.870 -0.114 0.000 1.075 138 L CA 1.357 56.142 54.840 -0.092 0.000 0.752 138 L CB -0.667 41.345 42.059 -0.079 0.000 0.891 138 L HN 0.270 nan 8.230 nan 0.000 0.432 139 A N -0.776 121.958 122.820 -0.143 0.000 2.019 139 A HA -0.132 4.178 4.320 -0.016 0.000 0.219 139 A C 1.975 179.430 177.584 -0.216 0.000 1.164 139 A CA 1.436 53.373 52.037 -0.168 0.000 0.644 139 A CB -0.182 18.715 19.000 -0.171 0.000 0.805 139 A HN 0.372 nan 8.150 nan 0.000 0.449 140 M N -0.125 119.302 119.600 -0.288 0.000 2.346 140 M HA 0.182 4.653 4.480 -0.016 0.000 0.280 140 M C 0.271 176.483 176.300 -0.147 0.000 1.075 140 M CA -0.585 54.559 55.300 -0.260 0.000 0.989 140 M CB -1.244 31.110 32.600 -0.411 0.000 1.447 140 M HN 0.401 nan 8.290 nan 0.000 0.511 141 N N 1.875 120.504 118.700 -0.118 0.000 2.454 141 N HA 0.066 4.797 4.740 -0.016 0.000 0.260 141 N C 0.808 176.286 175.510 -0.053 0.000 1.218 141 N CA 0.181 53.185 53.050 -0.075 0.000 0.904 141 N CB 1.232 39.676 38.487 -0.071 0.000 1.065 141 N HN 0.234 nan 8.380 nan 0.000 0.462 142 I N 2.998 123.547 120.570 -0.035 0.000 2.286 142 I HA -0.252 3.909 4.170 -0.016 0.000 0.245 142 I C 1.794 177.903 176.117 -0.014 0.000 1.104 142 I CA 0.518 61.804 61.300 -0.023 0.000 1.397 142 I CB -0.020 37.973 38.000 -0.011 0.000 1.072 142 I HN 0.506 nan 8.210 nan 0.000 0.417 143 L N 0.886 122.099 121.223 -0.016 0.000 2.083 143 L HA -0.158 4.172 4.340 -0.016 0.000 0.209 143 L C 2.725 179.580 176.870 -0.024 0.000 1.083 143 L CA 1.948 56.780 54.840 -0.013 0.000 0.752 143 L CB -1.477 40.571 42.059 -0.019 0.000 0.899 143 L HN 0.196 nan 8.230 nan 0.000 0.433 144 A N -0.857 121.941 122.820 -0.036 0.000 1.865 144 A HA -0.334 3.977 4.320 -0.016 0.000 0.217 144 A C 2.331 179.908 177.584 -0.011 0.000 1.191 144 A CA 2.071 54.080 52.037 -0.046 0.000 0.623 144 A CB -0.709 18.264 19.000 -0.044 0.000 0.826 144 A HN 0.480 nan 8.150 nan 0.000 0.444 145 Q N -0.143 119.674 119.800 0.029 0.000 2.124 145 Q HA -0.108 4.223 4.340 -0.016 0.000 0.202 145 Q C 0.336 176.439 176.000 0.171 0.000 0.977 145 Q CA 1.594 57.456 55.803 0.098 0.000 0.850 145 Q CB -0.060 28.696 28.738 0.030 0.000 0.901 145 Q HN 0.643 nan 8.270 nan 0.000 0.429 146 N N 0.522 119.282 118.700 0.100 0.000 2.558 146 N HA 0.239 4.970 4.740 -0.016 0.000 0.281 146 N C -1.074 174.513 175.510 0.127 0.000 1.219 146 N CA 0.324 53.446 53.050 0.119 0.000 0.942 146 N CB 0.793 39.310 38.487 0.051 0.000 1.241 146 N HN 0.229 nan 8.380 nan 0.000 0.511 147 A N 0.780 123.678 122.820 0.131 0.000 2.386 147 A HA 0.325 4.635 4.320 -0.016 0.000 0.246 147 A C 1.104 178.739 177.584 0.086 0.000 1.089 147 A CA -0.343 51.657 52.037 -0.061 0.000 0.790 147 A CB 0.285 18.959 19.000 -0.543 0.000 1.042 147 A HN 0.388 nan 8.150 nan 0.000 0.497 148 S N -0.025 115.695 115.700 0.034 0.000 2.612 148 S HA 0.132 4.593 4.470 -0.016 0.000 0.253 148 S C 1.142 175.840 174.600 0.164 0.000 1.346 148 S CA 0.665 58.919 58.200 0.091 0.000 0.976 148 S CB 0.420 63.655 63.200 0.059 0.000 0.949 148 S HN 0.892 nan 8.310 nan 0.000 0.584 149 R N 1.284 121.850 120.500 0.111 0.000 2.057 149 R HA 0.060 4.391 4.340 -0.016 0.000 0.224 149 R C 1.901 178.223 176.300 0.036 0.000 1.136 149 R CA 1.821 57.952 56.100 0.052 0.000 0.968 149 R CB -1.546 28.576 30.300 -0.296 0.000 0.863 149 R HN 0.757 nan 8.270 nan 0.000 0.433 150 N N -0.021 118.677 118.700 -0.003 0.000 2.122 150 N HA -0.220 4.511 4.740 -0.016 0.000 0.199 150 N C 1.551 177.103 175.510 0.069 0.000 1.007 150 N CA 2.502 55.580 53.050 0.048 0.000 0.892 150 N CB -0.949 37.587 38.487 0.082 0.000 1.050 150 N HN 0.362 nan 8.380 nan 0.000 0.468 151 T N 0.245 114.822 114.554 0.038 0.000 2.777 151 T HA -0.031 4.310 4.350 -0.016 0.000 0.266 151 T C 1.654 176.273 174.700 -0.136 0.000 1.040 151 T CA 0.760 62.853 62.100 -0.012 0.000 1.141 151 T CB -0.375 68.441 68.868 -0.086 0.000 0.868 151 T HN 0.146 nan 8.240 nan 0.000 0.444 152 F N 1.110 121.035 119.950 -0.041 0.000 2.269 152 F HA 0.088 4.608 4.527 -0.012 0.000 0.301 152 F C 2.004 177.756 175.800 -0.080 0.000 1.082 152 F CA 0.586 58.516 58.000 -0.118 0.000 1.360 152 F CB -0.589 38.358 39.000 -0.089 0.000 1.041 152 F HN 0.112 nan 8.300 nan 0.000 0.512 153 L N -0.725 120.598 121.223 0.167 0.000 2.072 153 L HA -0.155 4.175 4.340 -0.016 0.000 0.205 153 L C 2.467 179.477 176.870 0.234 0.000 1.079 153 L CA 1.169 56.141 54.840 0.221 0.000 0.752 153 L CB -0.627 41.563 42.059 0.219 0.000 0.906 153 L HN -0.024 nan 8.230 nan 0.000 0.436 154 R N 0.347 120.944 120.500 0.161 0.000 2.127 154 R HA -0.210 4.120 4.340 -0.016 0.000 0.238 154 R C 2.305 178.694 176.300 0.148 0.000 1.134 154 R CA 1.422 57.654 56.100 0.219 0.000 0.975 154 R CB -0.285 30.173 30.300 0.262 0.000 0.865 154 R HN 0.298 nan 8.270 nan 0.000 0.447 155 K N 0.739 120.930 120.400 -0.350 0.000 2.057 155 K HA -0.104 4.207 4.320 -0.016 0.000 0.207 155 K C 2.044 178.576 176.600 -0.113 0.000 1.049 155 K CA 1.367 57.188 56.287 -0.777 0.000 0.931 155 K CB -0.066 31.604 32.500 -1.384 0.000 0.714 155 K HN 0.160 nan 8.250 nan 0.000 0.440 156 A N 0.498 123.309 122.820 -0.015 0.000 1.898 156 A HA -0.183 4.128 4.320 -0.016 0.000 0.216 156 A C 2.050 179.605 177.584 -0.048 0.000 1.181 156 A CA 1.382 53.443 52.037 0.039 0.000 0.620 156 A CB -0.930 18.149 19.000 0.131 0.000 0.819 156 A HN 0.607 nan 8.150 nan 0.000 0.442 157 Y N 1.490 121.632 120.300 -0.264 0.000 2.114 157 Y HA -0.241 4.298 4.550 -0.018 0.000 0.282 157 Y C 2.510 178.247 175.900 -0.271 0.000 1.165 157 Y CA 2.497 60.219 58.100 -0.630 0.000 1.148 157 Y CB -0.965 37.140 38.460 -0.591 0.000 0.972 157 Y HN 0.286 nan 8.280 nan 0.000 0.504 158 T N 0.987 115.411 114.554 -0.216 0.000 2.759 158 T HA -0.230 4.110 4.350 -0.016 0.000 0.269 158 T C 1.854 176.326 174.700 -0.380 0.000 1.042 158 T CA 1.771 63.728 62.100 -0.238 0.000 1.140 158 T CB -0.297 68.718 68.868 0.245 0.000 0.864 158 T HN 0.335 nan 8.240 nan 0.000 0.455 159 K N 0.736 120.913 120.400 -0.371 0.000 1.991 159 K HA -0.060 4.251 4.320 -0.016 0.000 0.212 159 K C 2.271 178.584 176.600 -0.478 0.000 1.049 159 K CA 1.245 57.153 56.287 -0.631 0.000 0.932 159 K CB -0.391 31.855 32.500 -0.424 0.000 0.717 159 K HN 0.266 nan 8.250 nan 0.000 0.441 160 L N 0.946 121.955 121.223 -0.357 0.000 2.043 160 L HA -0.257 4.074 4.340 -0.016 0.000 0.212 160 L C 2.408 179.070 176.870 -0.347 0.000 1.075 160 L CA 1.599 56.261 54.840 -0.296 0.000 0.752 160 L CB -0.334 41.614 42.059 -0.185 0.000 0.891 160 L HN 0.224 nan 8.230 nan 0.000 0.432 161 K N -0.381 119.772 120.400 -0.412 0.000 2.362 161 K HA -0.081 4.230 4.320 -0.016 0.000 0.200 161 K C 1.923 178.309 176.600 -0.358 0.000 1.046 161 K CA 0.816 56.879 56.287 -0.373 0.000 0.952 161 K CB 0.090 32.320 32.500 -0.449 0.000 0.753 161 K HN 0.343 nan 8.250 nan 0.000 0.466 162 L N 0.131 121.092 121.223 -0.438 0.000 2.316 162 L HA -0.013 4.317 4.340 -0.016 0.000 0.207 162 L C 1.029 177.673 176.870 -0.376 0.000 1.070 162 L CA 0.405 54.951 54.840 -0.490 0.000 0.820 162 L CB 0.100 41.733 42.059 -0.710 0.000 0.992 162 L HN 0.047 nan 8.230 nan 0.000 0.466 163 Q N 2.087 121.668 119.800 -0.366 0.000 3.179 163 Q HA 0.102 4.433 4.340 -0.016 0.000 0.328 163 Q C -0.218 175.644 176.000 -0.229 0.000 1.336 163 Q CA -0.299 55.332 55.803 -0.287 0.000 0.939 163 Q CB -0.195 28.372 28.738 -0.286 0.000 1.658 163 Q HN 0.327 nan 8.270 nan 0.000 0.486 164 V N -1.004 118.785 119.914 -0.208 0.000 3.051 164 V HA 0.162 4.272 4.120 -0.016 0.000 0.306 164 V C 0.406 176.422 176.094 -0.128 0.000 1.083 164 V CA -1.176 61.025 62.300 -0.166 0.000 1.104 164 V CB 0.652 32.389 31.823 -0.143 0.000 1.027 164 V HN 0.471 nan 8.190 nan 0.000 0.483 165 N N 2.351 120.985 118.700 -0.110 0.000 2.347 165 N HA 0.101 4.832 4.740 -0.016 0.000 0.253 165 N C 0.676 176.147 175.510 -0.064 0.000 1.274 165 N CA 0.055 53.055 53.050 -0.083 0.000 0.941 165 N CB 0.027 38.469 38.487 -0.076 0.000 1.200 165 N HN 0.765 nan 8.380 nan 0.000 0.514 166 Q N -1.032 118.739 119.800 -0.048 0.000 2.268 166 Q HA -0.195 4.136 4.340 -0.016 0.000 0.210 166 Q C -0.022 175.961 176.000 -0.029 0.000 0.988 166 Q CA 2.129 57.913 55.803 -0.032 0.000 0.883 166 Q CB -0.290 28.434 28.738 -0.023 0.000 0.911 166 Q HN 0.707 nan 8.270 nan 0.000 0.430 167 D N -1.721 118.657 120.400 -0.037 0.000 2.340 167 D HA 0.176 4.807 4.640 -0.016 0.000 0.217 167 D C 0.589 176.866 176.300 -0.038 0.000 1.081 167 D CA 0.581 54.561 54.000 -0.033 0.000 0.842 167 D CB 0.670 41.450 40.800 -0.033 0.000 0.934 167 D HN 0.329 nan 8.370 nan 0.000 0.511 168 G N 0.827 109.598 108.800 -0.049 0.000 2.143 168 G HA2 -0.312 3.639 3.960 -0.016 0.000 0.249 168 G HA3 -0.312 3.639 3.960 -0.016 0.000 0.249 168 G C 0.309 175.164 174.900 -0.075 0.000 0.981 168 G CA -0.378 44.689 45.100 -0.055 0.000 0.665 168 G HN 0.262 nan 8.290 nan 0.000 0.528 169 R N -0.632 119.816 120.500 -0.087 0.000 2.668 169 R HA 0.606 4.937 4.340 -0.016 0.000 0.279 169 R C 0.200 176.409 176.300 -0.151 0.000 0.976 169 R CA -0.960 55.076 56.100 -0.107 0.000 0.978 169 R CB 1.085 31.331 30.300 -0.089 0.000 1.133 169 R HN 0.204 nan 8.270 nan 0.000 0.484 170 I N 4.896 125.341 120.570 -0.208 0.000 2.294 170 I HA 0.119 4.280 4.170 -0.016 0.000 0.295 170 I C -1.819 174.148 176.117 -0.249 0.000 1.098 170 I CA -1.847 59.281 61.300 -0.288 0.000 1.277 170 I CB 0.819 38.520 38.000 -0.498 0.000 1.434 170 I HN 0.169 nan 8.210 nan 0.000 0.498 171 P HA -0.010 nan 4.420 nan 0.000 0.266 171 P C 1.156 178.370 177.300 -0.143 0.000 1.215 171 P CA 0.071 63.084 63.100 -0.144 0.000 0.763 171 P CB 1.261 32.893 31.700 -0.112 0.000 0.806 172 V N 4.714 124.556 119.914 -0.121 0.000 2.546 172 V HA -0.279 3.832 4.120 -0.016 0.000 0.254 172 V C 2.494 178.568 176.094 -0.033 0.000 1.076 172 V CA 2.379 64.628 62.300 -0.084 0.000 1.087 172 V CB -1.153 30.640 31.823 -0.050 0.000 0.674 172 V HN 0.668 nan 8.190 nan 0.000 0.470 173 K N 0.208 120.588 120.400 -0.033 0.000 2.217 173 K HA -0.166 4.144 4.320 -0.016 0.000 0.202 173 K C 1.617 178.217 176.600 0.001 0.000 1.051 173 K CA 1.963 58.248 56.287 -0.003 0.000 0.952 173 K CB -0.530 31.963 32.500 -0.011 0.000 0.736 173 K HN 0.521 nan 8.250 nan 0.000 0.453 174 N N 1.455 120.134 118.700 -0.035 0.000 2.084 174 N HA -0.036 4.695 4.740 -0.016 0.000 0.190 174 N C 1.787 177.311 175.510 0.023 0.000 1.030 174 N CA 1.414 54.442 53.050 -0.035 0.000 0.849 174 N CB -0.159 38.272 38.487 -0.092 0.000 1.012 174 N HN 0.114 nan 8.380 nan 0.000 0.423 175 I N 0.740 121.330 120.570 0.033 0.000 2.657 175 I HA -0.234 3.927 4.170 -0.016 0.000 0.261 175 I C 1.265 177.558 176.117 0.293 0.000 1.212 175 I CA 1.035 62.437 61.300 0.170 0.000 1.453 175 I CB -0.275 37.758 38.000 0.055 0.000 1.092 175 I HN 0.238 nan 8.210 nan 0.000 0.452 176 L N -0.275 121.063 121.223 0.191 0.000 2.408 176 L HA 0.008 4.338 4.340 -0.016 0.000 0.215 176 L C 2.404 179.379 176.870 0.176 0.000 1.081 176 L CA 0.294 55.264 54.840 0.217 0.000 0.840 176 L CB -0.345 41.803 42.059 0.148 0.000 1.002 176 L HN 0.028 nan 8.230 nan 0.000 0.468 177 K N 1.029 121.490 120.400 0.102 0.000 2.002 177 K HA -0.204 4.106 4.320 -0.016 0.000 0.209 177 K C 2.187 178.794 176.600 0.011 0.000 1.048 177 K CA 1.700 58.015 56.287 0.047 0.000 0.930 177 K CB -0.102 32.401 32.500 0.005 0.000 0.714 177 K HN 0.075 nan 8.250 nan 0.000 0.438 178 M N -0.536 119.053 119.600 -0.018 0.000 2.358 178 M HA -0.075 4.395 4.480 -0.016 0.000 0.264 178 M C -0.221 175.721 176.300 -0.598 0.000 1.064 178 M CA 1.467 56.599 55.300 -0.280 0.000 1.093 178 M CB 0.331 32.770 32.600 -0.269 0.000 1.401 178 M HN 0.060 nan 8.290 nan 0.000 0.440 179 F N -0.842 119.164 119.950 0.094 0.000 2.688 179 F HA 0.271 4.788 4.527 -0.016 0.000 0.376 179 F C 1.520 177.451 175.800 0.217 0.000 1.428 179 F CA -0.435 57.654 58.000 0.148 0.000 1.156 179 F CB -0.411 38.736 39.000 0.245 0.000 1.141 179 F HN 0.061 nan 8.300 nan 0.000 0.521 180 S N -0.108 115.729 115.700 0.228 0.000 2.423 180 S HA -0.325 4.135 4.470 -0.016 0.000 0.238 180 S C 2.469 177.213 174.600 0.240 0.000 1.028 180 S CA 0.976 59.290 58.200 0.190 0.000 1.000 180 S CB -0.559 62.705 63.200 0.106 0.000 0.797 180 S HN 0.502 nan 8.310 nan 0.000 0.487 181 A N 2.024 125.022 122.820 0.296 0.000 1.886 181 A HA -0.287 4.024 4.320 -0.016 0.000 0.240 181 A C 1.161 179.064 177.584 0.532 0.000 1.875 181 A CA 2.356 54.675 52.037 0.470 0.000 0.760 181 A CB -0.887 18.424 19.000 0.517 0.000 0.849 181 A HN 0.669 nan 8.150 nan 0.000 0.505 182 D N -2.993 117.703 120.400 0.494 0.000 2.470 182 D HA 0.315 4.946 4.640 -0.016 0.000 0.233 182 D C 0.278 176.651 176.300 0.120 0.000 1.372 182 D CA -0.341 53.735 54.000 0.127 0.000 0.994 182 D CB 0.887 41.556 40.800 -0.219 0.000 1.377 182 D HN 0.278 nan 8.370 nan 0.000 0.586 183 K N 1.640 122.110 120.400 0.117 0.000 2.103 183 K HA -0.039 4.271 4.320 -0.016 0.000 0.204 183 K C 1.876 178.518 176.600 0.071 0.000 1.052 183 K CA 0.532 56.891 56.287 0.120 0.000 0.945 183 K CB 0.417 32.984 32.500 0.113 0.000 0.722 183 K HN 0.244 nan 8.250 nan 0.000 0.443 184 K N 0.887 121.303 120.400 0.028 0.000 2.063 184 K HA -0.180 4.131 4.320 -0.016 0.000 0.208 184 K C 2.099 178.676 176.600 -0.038 0.000 1.048 184 K CA 1.346 57.632 56.287 -0.001 0.000 0.928 184 K CB -0.266 32.222 32.500 -0.020 0.000 0.713 184 K HN 0.156 nan 8.250 nan 0.000 0.442 185 R N 0.771 121.218 120.500 -0.087 0.000 2.073 185 R HA -0.041 4.290 4.340 -0.016 0.000 0.229 185 R C 2.363 178.607 176.300 -0.093 0.000 1.120 185 R CA 0.688 56.699 56.100 -0.150 0.000 0.967 185 R CB -0.137 29.978 30.300 -0.308 0.000 0.862 185 R HN -0.068 nan 8.270 nan 0.000 0.436 186 V N 1.557 121.464 119.914 -0.011 0.000 2.317 186 V HA -0.300 3.810 4.120 -0.016 0.000 0.251 186 V C 1.970 178.149 176.094 0.141 0.000 1.065 186 V CA 2.025 64.402 62.300 0.128 0.000 1.049 186 V CB -0.486 31.477 31.823 0.233 0.000 0.651 186 V HN 0.427 nan 8.190 nan 0.000 0.450 187 E N 0.217 120.454 120.200 0.061 0.000 2.058 187 E HA -0.207 4.133 4.350 -0.016 0.000 0.194 187 E C 2.272 178.738 176.600 -0.224 0.000 0.997 187 E CA 1.979 58.372 56.400 -0.011 0.000 0.801 187 E CB -0.404 29.308 29.700 0.021 0.000 0.746 187 E HN 0.726 nan 8.360 nan 0.000 0.450 188 T N 0.916 115.360 114.554 -0.183 0.000 2.867 188 T HA -0.092 4.248 4.350 -0.016 0.000 0.268 188 T C 2.053 176.674 174.700 -0.131 0.000 1.057 188 T CA 0.976 62.949 62.100 -0.212 0.000 1.136 188 T CB -0.234 68.542 68.868 -0.152 0.000 0.874 188 T HN 0.218 nan 8.240 nan 0.000 0.466 189 A N 1.782 124.576 122.820 -0.044 0.000 1.865 189 A HA 0.012 4.323 4.320 -0.016 0.000 0.217 189 A C 2.352 180.049 177.584 0.188 0.000 1.191 189 A CA 1.320 53.384 52.037 0.045 0.000 0.623 189 A CB -0.979 18.033 19.000 0.020 0.000 0.826 189 A HN 0.462 nan 8.150 nan 0.000 0.444 190 L N -1.046 120.310 121.223 0.222 0.000 2.017 190 L HA -0.204 4.126 4.340 -0.016 0.000 0.208 190 L C 2.650 179.563 176.870 0.072 0.000 1.073 190 L CA 1.772 56.712 54.840 0.166 0.000 0.745 190 L CB -0.596 41.548 42.059 0.143 0.000 0.894 190 L HN 0.578 nan 8.230 nan 0.000 0.432 191 E N -0.267 119.844 120.200 -0.149 0.000 2.108 191 E HA -0.331 4.009 4.350 -0.016 0.000 0.203 191 E C 2.258 178.821 176.600 -0.061 0.000 1.022 191 E CA 1.839 58.082 56.400 -0.263 0.000 0.823 191 E CB -0.073 29.214 29.700 -0.687 0.000 0.744 191 E HN 0.294 nan 8.360 nan 0.000 0.456 192 S N -1.242 114.427 115.700 -0.051 0.000 2.474 192 S HA -0.094 4.367 4.470 -0.016 0.000 0.235 192 S C 1.531 176.147 174.600 0.026 0.000 0.997 192 S CA 1.031 59.221 58.200 -0.017 0.000 0.949 192 S CB -0.092 63.091 63.200 -0.027 0.000 0.766 192 S HN 0.483 nan 8.310 nan 0.000 0.517 193 C N 0.859 120.198 119.300 0.065 0.000 2.906 193 C HA 0.579 5.030 4.460 -0.016 0.000 0.274 193 C C 1.409 176.445 174.990 0.078 0.000 1.257 193 C CA -0.534 58.529 59.018 0.076 0.000 1.695 193 C CB -1.003 26.803 27.740 0.110 0.000 1.958 193 C HN 0.638 nan 8.230 nan 0.000 0.619 194 G N 1.541 110.391 108.800 0.084 0.000 2.417 194 G HA2 -0.174 3.777 3.960 -0.016 0.000 0.291 194 G HA3 -0.174 3.777 3.960 -0.016 0.000 0.291 194 G C -0.646 174.323 174.900 0.116 0.000 1.094 194 G CA -0.163 44.994 45.100 0.095 0.000 1.146 194 G HN 0.522 nan 8.290 nan 0.000 0.519 195 L N 0.014 121.328 121.223 0.152 0.000 2.393 195 L HA 0.564 4.894 4.340 -0.016 0.000 0.260 195 L C 0.449 177.454 176.870 0.224 0.000 1.002 195 L CA -1.468 53.465 54.840 0.154 0.000 0.818 195 L CB 1.710 43.856 42.059 0.144 0.000 1.369 195 L HN 0.006 nan 8.230 nan 0.000 0.412 196 K N 1.491 121.965 120.400 0.122 0.000 2.319 196 K HA 0.196 4.507 4.320 -0.016 0.000 0.265 196 K C -0.087 176.604 176.600 0.150 0.000 1.000 196 K CA 0.224 56.538 56.287 0.045 0.000 0.943 196 K CB 0.552 33.020 32.500 -0.054 0.000 0.950 196 K HN 0.624 nan 8.250 nan 0.000 0.485 197 F N -2.353 117.591 119.950 -0.010 0.000 3.083 197 F HA 0.235 4.753 4.527 -0.016 0.000 0.355 197 F C 0.041 175.842 175.800 0.002 0.000 1.194 197 F CA -0.970 57.030 58.000 -0.000 0.000 1.027 197 F CB -0.035 38.977 39.000 0.021 0.000 1.386 197 F HN 0.282 nan 8.300 nan 0.000 0.513 198 N N 2.895 121.418 118.700 -0.296 0.000 2.520 198 N HA 0.069 4.800 4.740 -0.016 0.000 0.273 198 N C 1.391 176.863 175.510 -0.063 0.000 1.155 198 N CA 0.102 53.051 53.050 -0.169 0.000 0.967 198 N CB 1.190 39.540 38.487 -0.229 0.000 1.092 198 N HN 0.493 nan 8.380 nan 0.000 0.457 199 R N 1.984 122.474 120.500 -0.015 0.000 2.185 199 R HA -0.122 4.209 4.340 -0.016 0.000 0.247 199 R C 1.057 177.339 176.300 -0.031 0.000 1.159 199 R CA 1.840 57.936 56.100 -0.006 0.000 0.988 199 R CB 0.071 30.377 30.300 0.009 0.000 0.871 199 R HN 0.456 nan 8.270 nan 0.000 0.458 200 S N -0.484 115.186 115.700 -0.049 0.000 2.503 200 S HA 0.070 4.531 4.470 -0.016 0.000 0.217 200 S C -0.044 174.517 174.600 -0.066 0.000 0.999 200 S CA -0.011 58.158 58.200 -0.052 0.000 0.914 200 S CB 0.263 63.434 63.200 -0.050 0.000 0.782 200 S HN 0.416 nan 8.310 nan 0.000 0.520 201 E N 1.482 121.632 120.200 -0.083 0.000 2.385 201 E HA 0.469 4.810 4.350 -0.016 0.000 0.254 201 E C -0.071 176.477 176.600 -0.088 0.000 1.228 201 E CA -0.359 55.986 56.400 -0.090 0.000 0.956 201 E CB 0.816 30.446 29.700 -0.117 0.000 1.116 201 E HN 0.282 nan 8.360 nan 0.000 0.507 202 S N -0.425 115.220 115.700 -0.092 0.000 2.596 202 S HA 0.600 5.060 4.470 -0.016 0.000 0.270 202 S C -1.248 173.285 174.600 -0.111 0.000 1.155 202 S CA -0.845 57.289 58.200 -0.111 0.000 0.827 202 S CB 0.793 63.930 63.200 -0.104 0.000 1.130 202 S HN 0.293 nan 8.310 nan 0.000 0.467 203 I N 2.009 122.488 120.570 -0.152 0.000 2.603 203 I HA 0.537 4.698 4.170 -0.016 0.000 0.300 203 I C 0.292 176.334 176.117 -0.125 0.000 1.017 203 I CA -0.826 60.392 61.300 -0.136 0.000 1.098 203 I CB 1.935 39.813 38.000 -0.202 0.000 1.279 203 I HN 0.748 nan 8.210 nan 0.000 0.437 204 R N 5.063 125.527 120.500 -0.059 0.000 2.357 204 R HA 0.400 4.731 4.340 -0.016 0.000 0.296 204 R C -2.371 173.925 176.300 -0.007 0.000 1.052 204 R CA -1.454 54.623 56.100 -0.038 0.000 0.988 204 R CB 0.282 30.575 30.300 -0.011 0.000 1.025 204 R HN 0.270 nan 8.270 nan 0.000 0.469 205 P HA -0.247 nan 4.420 nan 0.000 0.220 205 P C 0.283 177.647 177.300 0.107 0.000 1.155 205 P CA 1.834 64.953 63.100 0.031 0.000 0.880 205 P CB 0.027 31.726 31.700 -0.002 0.000 0.790 206 D N -1.365 119.080 120.400 0.075 0.000 2.349 206 D HA -0.063 4.567 4.640 -0.016 0.000 0.224 206 D C 0.758 177.118 176.300 0.100 0.000 1.029 206 D CA 0.545 54.593 54.000 0.081 0.000 0.879 206 D CB -0.266 40.564 40.800 0.051 0.000 0.906 206 D HN 0.333 nan 8.370 nan 0.000 0.528 207 E N -0.227 120.050 120.200 0.130 0.000 2.685 207 E HA 0.104 4.445 4.350 -0.016 0.000 0.208 207 E C -0.706 176.056 176.600 0.270 0.000 0.996 207 E CA -0.352 56.136 56.400 0.147 0.000 1.054 207 E CB 0.366 30.128 29.700 0.103 0.000 1.075 207 E HN 0.071 nan 8.360 nan 0.000 0.460 208 F N 2.006 121.999 119.950 0.071 0.000 2.593 208 F HA 0.126 4.643 4.527 -0.017 0.000 0.336 208 F C 0.179 176.109 175.800 0.216 0.000 1.491 208 F CA -0.907 57.167 58.000 0.123 0.000 1.114 208 F CB 0.175 39.222 39.000 0.077 0.000 1.468 208 F HN -0.200 nan 8.300 nan 0.000 0.579 209 S N 0.547 116.278 115.700 0.051 0.000 2.608 209 S HA 0.175 4.636 4.470 -0.016 0.000 0.261 209 S C 1.230 175.674 174.600 -0.261 0.000 1.314 209 S CA -0.683 57.507 58.200 -0.016 0.000 0.992 209 S CB 1.209 64.400 63.200 -0.015 0.000 0.935 209 S HN 0.453 nan 8.310 nan 0.000 0.564 210 L N 1.092 122.069 121.223 -0.410 0.000 2.012 210 L HA -0.076 4.254 4.340 -0.016 0.000 0.210 210 L C 2.527 179.239 176.870 -0.263 0.000 1.073 210 L CA 1.862 56.337 54.840 -0.608 0.000 0.748 210 L CB -1.413 40.376 42.059 -0.450 0.000 0.891 210 L HN 0.915 nan 8.230 nan 0.000 0.431 211 E N -0.463 119.643 120.200 -0.156 0.000 2.082 211 E HA -0.321 4.019 4.350 -0.016 0.000 0.215 211 E C 2.166 178.724 176.600 -0.070 0.000 1.048 211 E CA 2.452 58.801 56.400 -0.085 0.000 0.869 211 E CB -0.391 29.278 29.700 -0.052 0.000 0.773 211 E HN 0.555 nan 8.360 nan 0.000 0.466 212 I N -0.036 120.490 120.570 -0.074 0.000 2.493 212 I HA -0.211 3.950 4.170 -0.016 0.000 0.254 212 I C 2.171 178.274 176.117 -0.023 0.000 1.160 212 I CA 0.409 61.691 61.300 -0.030 0.000 1.445 212 I CB -0.128 37.876 38.000 0.006 0.000 1.086 212 I HN 0.096 nan 8.210 nan 0.000 0.433 213 F N 1.943 121.704 119.950 -0.314 0.000 2.163 213 F HA -0.147 4.371 4.527 -0.015 0.000 0.297 213 F C 2.301 178.104 175.800 0.005 0.000 1.094 213 F CA 1.561 59.423 58.000 -0.230 0.000 1.290 213 F CB -0.289 38.470 39.000 -0.402 0.000 1.017 213 F HN 0.008 nan 8.300 nan 0.000 0.483 214 E N -0.026 120.094 120.200 -0.134 0.000 2.049 214 E HA -0.273 4.068 4.350 -0.016 0.000 0.198 214 E C 2.422 178.944 176.600 -0.129 0.000 1.007 214 E CA 1.593 57.900 56.400 -0.155 0.000 0.809 214 E CB -0.327 29.328 29.700 -0.074 0.000 0.749 214 E HN 0.288 nan 8.360 nan 0.000 0.450 215 R N -0.100 120.364 120.500 -0.060 0.000 2.103 215 R HA -0.187 4.143 4.340 -0.016 0.000 0.242 215 R C 2.335 178.619 176.300 -0.026 0.000 1.142 215 R CA 1.545 57.626 56.100 -0.033 0.000 0.960 215 R CB -0.412 29.889 30.300 0.001 0.000 0.858 215 R HN 0.216 nan 8.270 nan 0.000 0.439 216 F N 1.231 121.092 119.950 -0.149 0.000 2.161 216 F HA -0.200 4.318 4.527 -0.016 0.000 0.300 216 F C 1.790 177.455 175.800 -0.225 0.000 1.089 216 F CA 1.426 59.332 58.000 -0.157 0.000 1.282 216 F CB -0.265 38.662 39.000 -0.122 0.000 1.010 216 F HN -0.026 nan 8.300 nan 0.000 0.485 217 L N -0.026 120.867 121.223 -0.551 0.000 2.072 217 L HA -0.202 4.129 4.340 -0.016 0.000 0.205 217 L C 2.329 179.021 176.870 -0.296 0.000 1.079 217 L CA 1.046 55.546 54.840 -0.567 0.000 0.752 217 L CB -0.845 40.953 42.059 -0.435 0.000 0.906 217 L HN 0.155 nan 8.230 nan 0.000 0.436 218 N N 0.737 119.317 118.700 -0.199 0.000 2.036 218 N HA -0.215 4.516 4.740 -0.016 0.000 0.195 218 N C 1.742 177.171 175.510 -0.134 0.000 1.037 218 N CA 1.511 54.489 53.050 -0.121 0.000 0.855 218 N CB -0.245 38.193 38.487 -0.082 0.000 1.033 218 N HN 0.320 nan 8.380 nan 0.000 0.423 219 K N 0.198 120.503 120.400 -0.159 0.000 2.148 219 K HA -0.036 4.274 4.320 -0.016 0.000 0.204 219 K C 1.896 178.386 176.600 -0.183 0.000 1.050 219 K CA 0.399 56.602 56.287 -0.139 0.000 0.942 219 K CB -0.172 32.269 32.500 -0.098 0.000 0.724 219 K HN 0.034 nan 8.250 nan 0.000 0.446 220 L N 0.369 121.408 121.223 -0.306 0.000 2.141 220 L HA -0.041 4.290 4.340 -0.016 0.000 0.209 220 L C 0.436 177.234 176.870 -0.119 0.000 1.094 220 L CA 1.416 56.075 54.840 -0.301 0.000 0.763 220 L CB 0.072 41.777 42.059 -0.591 0.000 0.908 220 L HN 0.078 nan 8.230 nan 0.000 0.437 221 C N 1.260 120.523 119.300 -0.063 0.000 2.362 221 C HA 0.442 4.893 4.460 -0.016 0.000 0.309 221 C C 0.072 175.050 174.990 -0.019 0.000 1.110 221 C CA -1.410 57.642 59.018 0.056 0.000 1.485 221 C CB -1.206 26.605 27.740 0.118 0.000 1.949 221 C HN 0.296 nan 8.230 nan 0.000 0.419 222 L N 5.837 127.041 121.223 -0.031 0.000 2.410 222 L HA 0.424 4.755 4.340 -0.016 0.000 0.273 222 L C 0.472 177.320 176.870 -0.037 0.000 1.152 222 L CA 0.281 55.095 54.840 -0.044 0.000 0.855 222 L CB 0.399 42.425 42.059 -0.055 0.000 1.129 222 L HN 0.477 nan 8.230 nan 0.000 0.463 223 R N 4.592 125.072 120.500 -0.034 0.000 2.505 223 R HA 0.231 4.561 4.340 -0.016 0.000 0.284 223 R C -1.844 174.436 176.300 -0.032 0.000 1.324 223 R CA -1.952 54.132 56.100 -0.028 0.000 1.432 223 R CB 0.655 30.950 30.300 -0.009 0.000 1.107 223 R HN 0.398 nan 8.270 nan 0.000 0.587 224 P HA -0.182 nan 4.420 nan 0.000 0.216 224 P C 0.657 177.927 177.300 -0.050 0.000 1.153 224 P CA 1.212 64.285 63.100 -0.045 0.000 0.848 224 P CB 0.297 31.970 31.700 -0.047 0.000 0.787 225 D N 1.034 121.407 120.400 -0.045 0.000 2.133 225 D HA -0.214 4.416 4.640 -0.016 0.000 0.192 225 D C 2.051 178.300 176.300 -0.086 0.000 1.001 225 D CA 1.264 55.232 54.000 -0.054 0.000 0.844 225 D CB -1.378 39.404 40.800 -0.029 0.000 0.944 225 D HN 0.252 nan 8.370 nan 0.000 0.447 226 I N 0.987 121.524 120.570 -0.055 0.000 2.423 226 I HA -0.210 3.951 4.170 -0.016 0.000 0.254 226 I C 1.897 177.976 176.117 -0.064 0.000 1.151 226 I CA 1.234 62.516 61.300 -0.029 0.000 1.421 226 I CB -0.320 37.709 38.000 0.048 0.000 1.079 226 I HN -0.067 nan 8.210 nan 0.000 0.431 227 D N 1.187 121.544 120.400 -0.073 0.000 2.084 227 D HA -0.157 4.473 4.640 -0.016 0.000 0.196 227 D C 2.100 178.323 176.300 -0.130 0.000 0.985 227 D CA 1.097 55.040 54.000 -0.095 0.000 0.826 227 D CB -0.178 40.579 40.800 -0.071 0.000 0.978 227 D HN 0.248 nan 8.370 nan 0.000 0.456 228 K N 0.396 120.726 120.400 -0.116 0.000 2.127 228 K HA -0.145 4.166 4.320 -0.016 0.000 0.208 228 K C 2.120 178.615 176.600 -0.175 0.000 1.047 228 K CA 0.848 57.060 56.287 -0.123 0.000 0.927 228 K CB -0.110 32.333 32.500 -0.095 0.000 0.716 228 K HN 0.183 nan 8.250 nan 0.000 0.450 229 I N 0.403 120.826 120.570 -0.245 0.000 3.059 229 I HA -0.169 3.991 4.170 -0.016 0.000 0.270 229 I C 1.801 177.683 176.117 -0.391 0.000 1.238 229 I CA 0.462 61.550 61.300 -0.354 0.000 1.478 229 I CB 0.085 37.775 38.000 -0.516 0.000 1.097 229 I HN 0.108 nan 8.210 nan 0.000 0.455 230 L N -0.578 120.426 121.223 -0.365 0.000 2.168 230 L HA -0.078 4.253 4.340 -0.016 0.000 0.203 230 L C 2.259 178.937 176.870 -0.321 0.000 1.078 230 L CA 0.426 54.997 54.840 -0.448 0.000 0.780 230 L CB -0.148 41.675 42.059 -0.394 0.000 0.939 230 L HN 0.161 nan 8.230 nan 0.000 0.451 231 L N 0.070 121.157 121.223 -0.226 0.000 1.970 231 L HA -0.252 4.079 4.340 -0.016 0.000 0.212 231 L C 2.513 179.286 176.870 -0.161 0.000 1.071 231 L CA 1.753 56.489 54.840 -0.173 0.000 0.751 231 L CB -1.370 40.613 42.059 -0.128 0.000 0.889 231 L HN 0.331 nan 8.230 nan 0.000 0.432 232 E N 0.248 120.362 120.200 -0.143 0.000 2.086 232 E HA -0.257 4.084 4.350 -0.016 0.000 0.200 232 E C 1.477 178.018 176.600 -0.099 0.000 1.012 232 E CA 1.806 58.146 56.400 -0.099 0.000 0.812 232 E CB -0.204 29.455 29.700 -0.069 0.000 0.743 232 E HN 0.521 nan 8.360 nan 0.000 0.453 233 I N -2.275 118.193 120.570 -0.169 0.000 3.771 233 I HA 0.384 4.544 4.170 -0.016 0.000 0.327 233 I C 0.700 176.696 176.117 -0.203 0.000 1.435 233 I CA 0.666 61.868 61.300 -0.164 0.000 1.259 233 I CB 0.586 38.418 38.000 -0.279 0.000 1.292 233 I HN 0.257 nan 8.210 nan 0.000 0.429 234 G N 1.816 110.516 108.800 -0.167 0.000 2.850 234 G HA2 -0.242 3.709 3.960 -0.016 0.000 0.207 234 G HA3 -0.242 3.709 3.960 -0.016 0.000 0.207 234 G C 0.745 175.520 174.900 -0.208 0.000 1.302 234 G CA -0.202 44.801 45.100 -0.161 0.000 0.832 234 G HN 1.132 nan 8.290 nan 0.000 0.543 235 A N 1.249 123.899 122.820 -0.283 0.000 2.897 235 A HA 0.579 4.889 4.320 -0.016 0.000 0.287 235 A C 1.315 178.736 177.584 -0.271 0.000 1.748 235 A CA 1.558 53.383 52.037 -0.352 0.000 1.397 235 A CB -0.257 18.482 19.000 -0.435 0.000 1.049 235 A HN 0.557 nan 8.150 nan 0.000 0.592 236 K N 2.117 122.388 120.400 -0.215 0.000 2.098 236 K HA 0.010 4.321 4.320 -0.016 0.000 0.203 236 K C 1.367 177.890 176.600 -0.128 0.000 1.051 236 K CA 0.865 57.064 56.287 -0.147 0.000 0.957 236 K CB 0.113 32.547 32.500 -0.109 0.000 0.738 236 K HN 0.634 nan 8.250 nan 0.000 0.447 237 G N 2.380 111.092 108.800 -0.147 0.000 2.588 237 G HA2 -0.064 3.886 3.960 -0.016 0.000 0.297 237 G HA3 -0.064 3.886 3.960 -0.016 0.000 0.297 237 G C 0.547 175.367 174.900 -0.134 0.000 0.874 237 G CA -0.046 45.005 45.100 -0.081 0.000 1.607 237 G HN 0.326 nan 8.290 nan 0.000 0.486 238 K N 2.805 123.178 120.400 -0.044 0.000 2.097 238 K HA -0.036 4.274 4.320 -0.016 0.000 0.206 238 K C -0.674 175.932 176.600 0.010 0.000 1.049 238 K CA 0.812 57.058 56.287 -0.068 0.000 0.933 238 K CB -0.554 31.926 32.500 -0.034 0.000 0.717 238 K HN 0.333 nan 8.250 nan 0.000 0.442 239 P HA -0.064 nan 4.420 nan 0.000 0.242 239 P C -0.876 176.754 177.300 0.549 0.000 1.198 239 P CA 0.854 64.186 63.100 0.386 0.000 0.756 239 P CB -0.486 31.474 31.700 0.433 0.000 0.911 240 Y N -4.118 116.211 120.300 0.048 0.000 2.702 240 Y HA 0.631 5.171 4.550 -0.016 0.000 0.336 240 Y C -1.854 173.990 175.900 -0.093 0.000 1.203 240 Y CA -2.292 55.819 58.100 0.020 0.000 1.072 240 Y CB -0.025 38.344 38.460 -0.151 0.000 1.327 240 Y HN -0.376 nan 8.280 nan 0.000 0.456 241 L N 1.831 123.035 121.223 -0.032 0.000 2.354 241 L HA 0.815 5.146 4.340 -0.016 0.000 0.264 241 L C 0.026 176.891 176.870 -0.009 0.000 1.008 241 L CA -0.433 54.327 54.840 -0.133 0.000 0.819 241 L CB 2.443 44.400 42.059 -0.170 0.000 1.339 241 L HN 1.004 nan 8.230 nan 0.000 0.420 242 T N -1.101 113.433 114.554 -0.032 0.000 2.943 242 T HA 0.352 4.693 4.350 -0.016 0.000 0.284 242 T C 1.279 175.980 174.700 0.001 0.000 1.015 242 T CA -0.656 61.448 62.100 0.007 0.000 1.042 242 T CB 0.810 69.682 68.868 0.006 0.000 1.055 242 T HN 0.609 nan 8.240 nan 0.000 0.500 243 L N 0.270 121.501 121.223 0.013 0.000 2.103 243 L HA -0.196 4.135 4.340 -0.016 0.000 0.215 243 L C 2.701 179.580 176.870 0.016 0.000 1.080 243 L CA 1.888 56.739 54.840 0.018 0.000 0.764 243 L CB -0.292 41.779 42.059 0.021 0.000 0.890 243 L HN 0.884 nan 8.230 nan 0.000 0.435 244 E N -0.789 119.416 120.200 0.009 0.000 2.028 244 E HA -0.238 4.102 4.350 -0.016 0.000 0.190 244 E C 2.157 178.765 176.600 0.012 0.000 0.984 244 E CA 1.302 57.709 56.400 0.011 0.000 0.800 244 E CB -0.071 29.632 29.700 0.005 0.000 0.758 244 E HN 0.647 nan 8.360 nan 0.000 0.448 245 Q N 0.398 120.190 119.800 -0.014 0.000 2.173 245 Q HA -0.225 4.105 4.340 -0.016 0.000 0.208 245 Q C 2.292 178.301 176.000 0.015 0.000 0.989 245 Q CA 1.473 57.258 55.803 -0.030 0.000 0.872 245 Q CB -0.162 28.511 28.738 -0.109 0.000 0.909 245 Q HN 0.203 nan 8.270 nan 0.000 0.420 246 L N -0.163 121.069 121.223 0.015 0.000 2.007 246 L HA -0.134 4.197 4.340 -0.016 0.000 0.205 246 L C 2.280 179.229 176.870 0.131 0.000 1.073 246 L CA 1.665 56.551 54.840 0.077 0.000 0.744 246 L CB -0.486 41.587 42.059 0.023 0.000 0.898 246 L HN 0.234 nan 8.230 nan 0.000 0.435 247 M N -0.418 119.221 119.600 0.066 0.000 2.073 247 M HA -0.294 4.176 4.480 -0.016 0.000 0.258 247 M C 1.748 178.092 176.300 0.073 0.000 1.070 247 M CA 2.571 57.905 55.300 0.056 0.000 1.103 247 M CB -0.396 32.227 32.600 0.038 0.000 1.321 247 M HN 0.324 nan 8.290 nan 0.000 0.405 248 D N -0.159 120.288 120.400 0.078 0.000 2.123 248 D HA -0.185 4.446 4.640 -0.016 0.000 0.196 248 D C 1.601 177.973 176.300 0.121 0.000 0.992 248 D CA 1.416 55.463 54.000 0.078 0.000 0.833 248 D CB -0.530 40.308 40.800 0.063 0.000 0.954 248 D HN 0.478 nan 8.370 nan 0.000 0.455 249 F N 1.111 121.072 119.950 0.018 0.000 2.102 249 F HA -0.132 4.386 4.527 -0.016 0.000 0.298 249 F C 2.038 177.883 175.800 0.075 0.000 1.105 249 F CA 1.175 59.206 58.000 0.052 0.000 1.239 249 F CB -0.358 38.678 39.000 0.060 0.000 0.991 249 F HN -0.098 nan 8.300 nan 0.000 0.474 250 I N 0.531 121.068 120.570 -0.055 0.000 2.099 250 I HA -0.382 3.779 4.170 -0.016 0.000 0.239 250 I C 2.120 178.172 176.117 -0.108 0.000 1.066 250 I CA 1.678 62.897 61.300 -0.135 0.000 1.324 250 I CB -0.667 37.338 38.000 0.008 0.000 1.037 250 I HN 0.197 nan 8.210 nan 0.000 0.401 251 N N 0.289 118.969 118.700 -0.032 0.000 2.223 251 N HA -0.177 4.553 4.740 -0.016 0.000 0.185 251 N C 1.816 177.307 175.510 -0.032 0.000 1.016 251 N CA 1.317 54.359 53.050 -0.014 0.000 0.863 251 N CB -0.074 38.421 38.487 0.013 0.000 0.983 251 N HN 0.505 nan 8.380 nan 0.000 0.429 252 Q N -0.478 119.297 119.800 -0.040 0.000 2.388 252 Q HA 0.213 4.543 4.340 -0.016 0.000 0.204 252 Q C 1.690 177.653 176.000 -0.062 0.000 0.946 252 Q CA 0.344 56.130 55.803 -0.028 0.000 0.880 252 Q CB 0.396 29.142 28.738 0.013 0.000 0.997 252 Q HN 0.029 nan 8.270 nan 0.000 0.552 253 K N 0.208 120.535 120.400 -0.121 0.000 2.186 253 K HA 0.031 4.341 4.320 -0.016 0.000 0.202 253 K C 1.478 177.931 176.600 -0.244 0.000 1.052 253 K CA 0.795 56.998 56.287 -0.140 0.000 0.965 253 K CB 0.454 32.912 32.500 -0.070 0.000 0.746 253 K HN 0.131 nan 8.250 nan 0.000 0.457 254 Q N 0.144 119.733 119.800 -0.352 0.000 2.282 254 Q HA 0.071 4.401 4.340 -0.016 0.000 0.206 254 Q C 0.262 176.212 176.000 -0.082 0.000 0.878 254 Q CA 0.014 55.663 55.803 -0.256 0.000 0.944 254 Q CB 0.920 29.454 28.738 -0.340 0.000 1.100 254 Q HN 0.135 nan 8.270 nan 0.000 0.509 255 R N 1.531 121.972 120.500 -0.098 0.000 2.428 255 R HA 0.131 4.462 4.340 -0.016 0.000 0.294 255 R C -0.705 175.543 176.300 -0.087 0.000 1.000 255 R CA -0.385 55.675 56.100 -0.067 0.000 0.960 255 R CB 0.781 31.049 30.300 -0.055 0.000 1.076 255 R HN -0.200 nan 8.270 nan 0.000 0.475 256 D N 5.300 125.635 120.400 -0.107 0.000 2.339 256 D HA 0.090 4.721 4.640 -0.016 0.000 0.256 256 D C -1.553 174.674 176.300 -0.120 0.000 1.214 256 D CA -2.197 51.722 54.000 -0.135 0.000 0.877 256 D CB 1.649 42.339 40.800 -0.183 0.000 1.111 256 D HN 0.358 nan 8.370 nan 0.000 0.478 257 P HA -0.026 nan 4.420 nan 0.000 0.225 257 P C 1.056 178.313 177.300 -0.071 0.000 1.156 257 P CA 0.442 63.498 63.100 -0.073 0.000 0.787 257 P CB 0.397 32.061 31.700 -0.061 0.000 0.802 258 R N -0.517 119.929 120.500 -0.090 0.000 2.200 258 R HA 0.010 4.341 4.340 -0.016 0.000 0.234 258 R C 1.008 177.258 176.300 -0.084 0.000 1.127 258 R CA 0.492 56.542 56.100 -0.083 0.000 0.989 258 R CB -0.660 29.581 30.300 -0.099 0.000 0.869 258 R HN 0.273 nan 8.270 nan 0.000 0.459 259 L N 1.523 122.674 121.223 -0.120 0.000 2.371 259 L HA 0.116 4.447 4.340 -0.016 0.000 0.272 259 L C 0.545 177.421 176.870 0.010 0.000 1.124 259 L CA -0.565 54.198 54.840 -0.128 0.000 0.816 259 L CB 0.571 42.409 42.059 -0.369 0.000 1.129 259 L HN 0.140 nan 8.230 nan 0.000 0.448 260 N N 2.759 121.527 118.700 0.113 0.000 2.454 260 N HA -0.069 4.662 4.740 -0.016 0.000 0.260 260 N C 0.976 176.585 175.510 0.164 0.000 1.218 260 N CA -0.119 53.007 53.050 0.127 0.000 0.904 260 N CB 1.014 39.578 38.487 0.127 0.000 1.065 260 N HN 0.689 nan 8.380 nan 0.000 0.462 261 E N 3.130 123.386 120.200 0.093 0.000 2.274 261 E HA -0.080 4.261 4.350 -0.016 0.000 0.194 261 E C 1.397 178.036 176.600 0.065 0.000 0.996 261 E CA 0.755 57.205 56.400 0.083 0.000 0.840 261 E CB -0.114 29.616 29.700 0.050 0.000 0.772 261 E HN 0.370 nan 8.360 nan 0.000 0.491 262 V N 1.539 121.482 119.914 0.048 0.000 2.488 262 V HA -0.137 3.973 4.120 -0.016 0.000 0.246 262 V C 2.442 178.524 176.094 -0.019 0.000 1.046 262 V CA 1.000 63.310 62.300 0.015 0.000 1.053 262 V CB -0.354 31.473 31.823 0.007 0.000 0.679 262 V HN 0.212 nan 8.190 nan 0.000 0.458 263 L N -1.363 119.851 121.223 -0.016 0.000 2.240 263 L HA -0.005 4.326 4.340 -0.016 0.000 0.211 263 L C 0.288 176.895 176.870 -0.439 0.000 1.106 263 L CA 1.152 55.864 54.840 -0.214 0.000 0.793 263 L CB -0.033 41.917 42.059 -0.183 0.000 0.927 263 L HN 0.383 nan 8.230 nan 0.000 0.446 264 Y N -0.537 119.763 120.300 -0.000 0.000 2.592 264 Y HA 0.331 4.871 4.550 -0.016 0.000 0.354 264 Y C -2.248 173.655 175.900 0.005 0.000 1.063 264 Y CA -3.186 54.915 58.100 0.003 0.000 1.205 264 Y CB -0.146 38.313 38.460 -0.002 0.000 1.106 264 Y HN -0.088 nan 8.280 nan 0.000 0.649 265 P HA 0.026 nan 4.420 nan 0.000 0.267 265 P C -2.258 175.087 177.300 0.075 0.000 1.201 265 P CA -0.682 62.459 63.100 0.068 0.000 0.775 265 P CB 0.539 32.261 31.700 0.037 0.000 0.854 266 P HA 0.224 nan 4.420 nan 0.000 0.276 266 P C -0.498 176.831 177.300 0.050 0.000 1.261 266 P CA -0.600 62.530 63.100 0.051 0.000 0.800 266 P CB 0.537 32.259 31.700 0.037 0.000 1.066 267 L N 1.688 122.941 121.223 0.050 0.000 2.410 267 L HA 0.153 4.483 4.340 -0.016 0.000 0.273 267 L C 0.936 177.832 176.870 0.043 0.000 1.144 267 L CA 0.086 54.958 54.840 0.053 0.000 0.863 267 L CB 0.004 42.098 42.059 0.058 0.000 1.140 267 L HN 0.283 nan 8.230 nan 0.000 0.463 268 R N 6.093 126.618 120.500 0.042 0.000 2.649 268 R HA 0.255 4.585 4.340 -0.016 0.000 0.270 268 R C -1.690 174.631 176.300 0.035 0.000 1.105 268 R CA -1.260 54.861 56.100 0.035 0.000 1.193 268 R CB -0.404 29.916 30.300 0.032 0.000 1.120 268 R HN 0.524 nan 8.270 nan 0.000 0.561 269 P HA -0.183 nan 4.420 nan 0.000 0.217 269 P C 1.339 178.659 177.300 0.034 0.000 1.151 269 P CA 1.601 64.718 63.100 0.030 0.000 0.828 269 P CB -0.016 31.698 31.700 0.024 0.000 0.788 270 S N 0.202 115.922 115.700 0.033 0.000 2.387 270 S HA -0.254 4.207 4.470 -0.016 0.000 0.230 270 S C 2.158 176.785 174.600 0.045 0.000 1.035 270 S CA 1.373 59.594 58.200 0.035 0.000 1.014 270 S CB -1.348 61.870 63.200 0.031 0.000 0.836 270 S HN 0.207 nan 8.310 nan 0.000 0.466 271 Q N 0.811 120.640 119.800 0.050 0.000 2.187 271 Q HA 0.271 4.601 4.340 -0.016 0.000 0.199 271 Q C 2.542 178.585 176.000 0.072 0.000 0.957 271 Q CA 1.087 56.928 55.803 0.064 0.000 0.857 271 Q CB -0.429 28.350 28.738 0.067 0.000 0.929 271 Q HN 0.781 nan 8.270 nan 0.000 0.453 272 A N 0.977 123.831 122.820 0.057 0.000 2.015 272 A HA -0.162 4.149 4.320 -0.016 0.000 0.219 272 A C 1.941 179.560 177.584 0.058 0.000 1.163 272 A CA 1.046 53.113 52.037 0.049 0.000 0.646 272 A CB -0.307 18.714 19.000 0.034 0.000 0.806 272 A HN 0.194 nan 8.150 nan 0.000 0.448 273 R N -0.217 120.318 120.500 0.058 0.000 2.082 273 R HA -0.060 4.270 4.340 -0.016 0.000 0.228 273 R C 1.968 178.317 176.300 0.080 0.000 1.140 273 R CA 1.644 57.780 56.100 0.061 0.000 0.920 273 R CB -0.586 29.743 30.300 0.048 0.000 0.828 273 R HN 0.455 nan 8.270 nan 0.000 0.430 274 L N 0.875 122.145 121.223 0.078 0.000 2.082 274 L HA -0.351 3.979 4.340 -0.016 0.000 0.223 274 L C 2.601 179.552 176.870 0.134 0.000 1.086 274 L CA 1.753 56.647 54.840 0.090 0.000 0.793 274 L CB -0.685 41.426 42.059 0.087 0.000 0.896 274 L HN 0.405 nan 8.230 nan 0.000 0.441 275 L N -0.681 120.643 121.223 0.168 0.000 2.012 275 L HA -0.286 4.045 4.340 -0.016 0.000 0.210 275 L C 2.489 179.538 176.870 0.299 0.000 1.073 275 L CA 1.620 56.625 54.840 0.276 0.000 0.748 275 L CB -0.349 41.824 42.059 0.189 0.000 0.891 275 L HN 0.257 nan 8.230 nan 0.000 0.431 276 I N -0.503 120.179 120.570 0.187 0.000 2.226 276 I HA -0.298 3.863 4.170 -0.016 0.000 0.245 276 I C 2.398 178.614 176.117 0.165 0.000 1.100 276 I CA 1.299 62.707 61.300 0.181 0.000 1.374 276 I CB -0.318 37.760 38.000 0.129 0.000 1.057 276 I HN 0.308 nan 8.210 nan 0.000 0.413 277 E N 0.754 121.027 120.200 0.122 0.000 2.085 277 E HA -0.290 4.050 4.350 -0.016 0.000 0.194 277 E C 2.159 178.790 176.600 0.051 0.000 0.994 277 E CA 1.349 57.797 56.400 0.080 0.000 0.801 277 E CB -0.073 29.662 29.700 0.058 0.000 0.743 277 E HN 0.342 nan 8.360 nan 0.000 0.453 278 K N -0.508 119.920 120.400 0.046 0.000 2.148 278 K HA -0.118 4.193 4.320 -0.016 0.000 0.204 278 K C 1.057 177.500 176.600 -0.261 0.000 1.050 278 K CA 1.169 57.373 56.287 -0.138 0.000 0.942 278 K CB 0.162 32.546 32.500 -0.194 0.000 0.724 278 K HN 0.150 nan 8.250 nan 0.000 0.446 279 Y N -0.655 119.706 120.300 0.102 0.000 2.426 279 Y HA 0.208 4.749 4.550 -0.014 0.000 0.249 279 Y C -0.147 175.810 175.900 0.095 0.000 1.103 279 Y CA -0.524 57.641 58.100 0.109 0.000 1.256 279 Y CB 0.764 39.324 38.460 0.166 0.000 1.208 279 Y HN -0.081 nan 8.280 nan 0.000 0.519 280 E N 3.052 123.374 120.200 0.203 0.000 2.152 280 E HA 0.140 4.480 4.350 -0.016 0.000 0.285 280 E C -1.752 174.901 176.600 0.088 0.000 1.043 280 E CA -2.411 54.083 56.400 0.157 0.000 0.839 280 E CB 0.886 30.689 29.700 0.171 0.000 1.069 280 E HN 0.051 nan 8.360 nan 0.000 0.399 281 P HA -0.076 nan 4.420 nan 0.000 0.218 281 P C -0.123 177.173 177.300 -0.006 0.000 1.152 281 P CA 0.480 63.590 63.100 0.016 0.000 0.826 281 P CB 0.147 31.847 31.700 0.000 0.000 0.790 282 N N 0.663 119.342 118.700 -0.035 0.000 2.408 282 N HA 0.008 4.739 4.740 -0.016 0.000 0.257 282 N C 0.711 176.235 175.510 0.024 0.000 1.064 282 N CA 0.040 53.052 53.050 -0.064 0.000 0.952 282 N CB 0.738 39.083 38.487 -0.237 0.000 1.093 282 N HN -0.132 nan 8.380 nan 0.000 0.490 283 Q N 1.867 121.686 119.800 0.032 0.000 2.444 283 Q HA -0.011 4.319 4.340 -0.016 0.000 0.206 283 Q C 1.064 177.115 176.000 0.085 0.000 0.948 283 Q CA 0.548 56.387 55.803 0.059 0.000 0.946 283 Q CB 0.236 28.995 28.738 0.035 0.000 1.027 283 Q HN 0.745 nan 8.270 nan 0.000 0.513 284 Q N -1.031 118.838 119.800 0.115 0.000 2.250 284 Q HA -0.036 4.295 4.340 -0.016 0.000 0.200 284 Q C 0.877 177.011 176.000 0.224 0.000 0.941 284 Q CA 1.115 57.002 55.803 0.140 0.000 0.872 284 Q CB -0.054 28.762 28.738 0.129 0.000 0.965 284 Q HN 0.333 nan 8.270 nan 0.000 0.480 285 F N 0.648 120.592 119.950 -0.010 0.000 2.051 285 F HA -0.162 4.356 4.527 -0.016 0.000 0.296 285 F C 2.115 177.923 175.800 0.013 0.000 1.122 285 F CA 1.271 59.269 58.000 -0.003 0.000 1.201 285 F CB -1.156 37.853 39.000 0.016 0.000 0.978 285 F HN 0.198 nan 8.300 nan 0.000 0.472 286 L N 0.078 121.440 121.223 0.232 0.000 2.034 286 L HA -0.322 4.009 4.340 -0.016 0.000 0.217 286 L C 2.486 179.405 176.870 0.081 0.000 1.077 286 L CA 2.004 56.924 54.840 0.133 0.000 0.769 286 L CB -0.564 41.558 42.059 0.106 0.000 0.890 286 L HN 0.248 nan 8.230 nan 0.000 0.435 287 E N 0.081 120.325 120.200 0.073 0.000 2.065 287 E HA -0.295 4.045 4.350 -0.016 0.000 0.201 287 E C 1.822 178.430 176.600 0.014 0.000 1.016 287 E CA 1.908 58.332 56.400 0.039 0.000 0.818 287 E CB -0.048 29.675 29.700 0.038 0.000 0.749 287 E HN 0.575 nan 8.360 nan 0.000 0.453 288 R N 0.656 121.151 120.500 -0.008 0.000 2.391 288 R HA 0.018 4.349 4.340 -0.016 0.000 0.249 288 R C -0.469 175.804 176.300 -0.045 0.000 0.957 288 R CA 0.151 56.221 56.100 -0.051 0.000 1.093 288 R CB 0.230 30.455 30.300 -0.124 0.000 1.156 288 R HN 0.078 nan 8.270 nan 0.000 0.526 289 D N 2.020 122.417 120.400 -0.005 0.000 2.735 289 D HA -0.195 4.436 4.640 -0.016 0.000 0.235 289 D C -0.384 175.916 176.300 -0.001 0.000 1.175 289 D CA 1.291 55.298 54.000 0.012 0.000 0.683 289 D CB -0.679 40.128 40.800 0.010 0.000 1.008 289 D HN 0.430 nan 8.370 nan 0.000 0.416 290 Q N -1.007 118.790 119.800 -0.004 0.000 2.572 290 Q HA 0.759 5.089 4.340 -0.016 0.000 0.284 290 Q C -0.089 175.998 176.000 0.145 0.000 1.091 290 Q CA -0.955 54.837 55.803 -0.017 0.000 0.840 290 Q CB 2.322 30.865 28.738 -0.326 0.000 1.433 290 Q HN 0.307 nan 8.270 nan 0.000 0.471 291 M N 1.034 120.768 119.600 0.222 0.000 2.271 291 M HA 0.327 4.797 4.480 -0.016 0.000 0.285 291 M C -1.025 175.525 176.300 0.417 0.000 1.059 291 M CA -0.369 55.118 55.300 0.310 0.000 0.940 291 M CB 1.948 34.664 32.600 0.193 0.000 1.636 291 M HN 0.734 nan 8.290 nan 0.000 0.460 292 S N 4.562 120.503 115.700 0.401 0.000 2.608 292 S HA 0.219 4.679 4.470 -0.016 0.000 0.261 292 S C 0.987 175.691 174.600 0.173 0.000 1.314 292 S CA -0.711 57.623 58.200 0.224 0.000 0.992 292 S CB 0.918 64.072 63.200 -0.077 0.000 0.935 292 S HN 0.998 nan 8.310 nan 0.000 0.564 293 M N 0.256 119.922 119.600 0.111 0.000 2.175 293 M HA -0.089 4.381 4.480 -0.016 0.000 0.264 293 M C 1.988 178.374 176.300 0.143 0.000 1.063 293 M CA 1.809 57.175 55.300 0.109 0.000 1.119 293 M CB -0.950 31.678 32.600 0.046 0.000 1.377 293 M HN 1.016 nan 8.290 nan 0.000 0.415 294 E N -0.415 119.833 120.200 0.080 0.000 2.058 294 E HA -0.180 4.161 4.350 -0.016 0.000 0.194 294 E C 1.827 178.501 176.600 0.123 0.000 0.997 294 E CA 1.447 57.891 56.400 0.072 0.000 0.801 294 E CB -0.341 29.371 29.700 0.019 0.000 0.746 294 E HN 0.684 nan 8.360 nan 0.000 0.450 295 G N 0.042 108.930 108.800 0.146 0.000 2.448 295 G HA2 -0.270 3.681 3.960 -0.016 0.000 0.219 295 G HA3 -0.270 3.681 3.960 -0.016 0.000 0.219 295 G C 1.263 176.314 174.900 0.251 0.000 1.127 295 G CA 0.542 45.766 45.100 0.207 0.000 0.766 295 G HN 0.286 nan 8.290 nan 0.000 0.552 296 F N 2.089 122.086 119.950 0.079 0.000 2.118 296 F HA 0.020 4.538 4.527 -0.015 0.000 0.293 296 F C 2.860 178.714 175.800 0.089 0.000 1.102 296 F CA 1.516 59.549 58.000 0.056 0.000 1.247 296 F CB -0.450 38.535 39.000 -0.025 0.000 1.017 296 F HN 0.138 nan 8.300 nan 0.000 0.475 297 S N 0.848 116.604 115.700 0.094 0.000 2.380 297 S HA -0.279 4.182 4.470 -0.016 0.000 0.229 297 S C 2.057 176.658 174.600 0.001 0.000 1.043 297 S CA 1.722 59.931 58.200 0.015 0.000 1.038 297 S CB -0.515 62.734 63.200 0.081 0.000 0.872 297 S HN 0.393 nan 8.310 nan 0.000 0.456 298 R N -0.627 119.910 120.500 0.062 0.000 2.081 298 R HA -0.114 4.216 4.340 -0.016 0.000 0.235 298 R C 2.252 178.502 176.300 -0.084 0.000 1.131 298 R CA 1.617 57.786 56.100 0.115 0.000 0.960 298 R CB -0.481 29.999 30.300 0.300 0.000 0.856 298 R HN 0.500 nan 8.270 nan 0.000 0.436 299 Y N 1.639 121.693 120.300 -0.409 0.000 2.114 299 Y HA -0.209 4.331 4.550 -0.016 0.000 0.284 299 Y C 2.059 177.721 175.900 -0.396 0.000 1.143 299 Y CA 1.473 59.154 58.100 -0.699 0.000 1.135 299 Y CB -0.410 37.737 38.460 -0.522 0.000 0.980 299 Y HN -0.041 nan 8.280 nan 0.000 0.499 300 L N -0.635 120.392 121.223 -0.327 0.000 2.103 300 L HA -0.274 4.057 4.340 -0.016 0.000 0.215 300 L C 2.188 179.073 176.870 0.025 0.000 1.080 300 L CA 1.661 56.376 54.840 -0.208 0.000 0.764 300 L CB -1.005 40.947 42.059 -0.177 0.000 0.890 300 L HN 0.487 nan 8.230 nan 0.000 0.435 301 G N -1.334 107.490 108.800 0.039 0.000 3.233 301 G HA2 0.285 4.235 3.960 -0.016 0.000 0.234 301 G HA3 0.285 4.235 3.960 -0.016 0.000 0.234 301 G C 0.589 175.474 174.900 -0.024 0.000 1.137 301 G CA 0.336 45.455 45.100 0.030 0.000 0.763 301 G HN 0.400 nan 8.290 nan 0.000 0.549 302 G N -0.052 108.663 108.800 -0.142 0.000 2.543 302 G HA2 0.420 4.370 3.960 -0.016 0.000 0.290 302 G HA3 0.420 4.370 3.960 -0.016 0.000 0.290 302 G C 0.350 175.231 174.900 -0.031 0.000 1.310 302 G CA -0.349 44.735 45.100 -0.026 0.000 1.025 302 G HN 0.113 nan 8.290 nan 0.000 0.502 303 E N -0.718 119.535 120.200 0.089 0.000 2.489 303 E HA 0.103 4.444 4.350 -0.016 0.000 0.193 303 E C 1.627 178.250 176.600 0.038 0.000 1.057 303 E CA 0.325 56.764 56.400 0.065 0.000 0.866 303 E CB 0.506 30.259 29.700 0.089 0.000 0.916 303 E HN 0.523 nan 8.360 nan 0.000 0.500 304 E N -0.257 119.929 120.200 -0.022 0.000 2.400 304 E HA 0.047 4.387 4.350 -0.016 0.000 0.195 304 E C 0.390 176.951 176.600 -0.064 0.000 1.012 304 E CA 0.275 56.673 56.400 -0.004 0.000 0.875 304 E CB 0.182 29.951 29.700 0.116 0.000 0.859 304 E HN -0.009 nan 8.360 nan 0.000 0.498 305 N N 0.547 119.130 118.700 -0.195 0.000 2.610 305 N HA 0.180 4.911 4.740 -0.016 0.000 0.309 305 N C -0.474 175.115 175.510 0.132 0.000 1.536 305 N CA -0.152 52.861 53.050 -0.061 0.000 0.954 305 N CB 0.377 38.643 38.487 -0.368 0.000 1.310 305 N HN 0.065 nan 8.380 nan 0.000 0.502 306 G N -0.031 108.798 108.800 0.048 0.000 2.572 306 G HA2 0.173 4.124 3.960 -0.016 0.000 0.261 306 G HA3 0.173 4.124 3.960 -0.016 0.000 0.261 306 G C 0.913 175.714 174.900 -0.165 0.000 1.197 306 G CA -0.569 44.542 45.100 0.019 0.000 0.870 306 G HN 0.422 nan 8.290 nan 0.000 0.548 307 I N -0.562 119.910 120.570 -0.162 0.000 2.676 307 I HA 0.209 4.370 4.170 -0.016 0.000 0.259 307 I C 0.515 176.464 176.117 -0.281 0.000 1.194 307 I CA 0.675 61.775 61.300 -0.333 0.000 1.473 307 I CB -0.069 37.855 38.000 -0.126 0.000 1.096 307 I HN 0.167 nan 8.210 nan 0.000 0.443 308 L N 1.233 122.366 121.223 -0.149 0.000 2.371 308 L HA 0.504 4.834 4.340 -0.016 0.000 0.262 308 L C -2.421 174.412 176.870 -0.062 0.000 1.006 308 L CA -1.967 52.814 54.840 -0.098 0.000 0.818 308 L CB 1.938 43.992 42.059 -0.007 0.000 1.354 308 L HN -0.149 nan 8.230 nan 0.000 0.415 309 P HA 0.143 nan 4.420 nan 0.000 0.279 309 P C 0.365 177.681 177.300 0.026 0.000 1.252 309 P CA -0.596 62.498 63.100 -0.011 0.000 0.811 309 P CB 1.700 33.387 31.700 -0.022 0.000 1.035 310 L N 1.924 123.172 121.223 0.042 0.000 1.988 310 L HA -0.191 4.139 4.340 -0.016 0.000 0.207 310 L C 2.167 179.072 176.870 0.059 0.000 1.071 310 L CA 2.017 56.886 54.840 0.049 0.000 0.744 310 L CB -1.484 40.602 42.059 0.046 0.000 0.893 310 L HN 0.331 nan 8.230 nan 0.000 0.433 311 E N -0.037 120.200 120.200 0.062 0.000 2.335 311 E HA -0.399 3.942 4.350 -0.016 0.000 0.236 311 E C 2.094 178.733 176.600 0.066 0.000 1.103 311 E CA 2.383 58.822 56.400 0.065 0.000 1.010 311 E CB -0.965 28.781 29.700 0.076 0.000 0.859 311 E HN 0.652 nan 8.360 nan 0.000 0.473 312 A N -0.270 122.587 122.820 0.063 0.000 1.940 312 A HA -0.140 4.170 4.320 -0.016 0.000 0.219 312 A C 2.214 179.916 177.584 0.196 0.000 1.176 312 A CA 1.656 53.746 52.037 0.088 0.000 0.631 312 A CB -0.473 18.558 19.000 0.052 0.000 0.814 312 A HN 0.237 nan 8.150 nan 0.000 0.446 313 L N -0.803 120.513 121.223 0.154 0.000 2.375 313 L HA 0.061 4.391 4.340 -0.016 0.000 0.215 313 L C 0.922 177.835 176.870 0.072 0.000 1.108 313 L CA -0.086 54.818 54.840 0.107 0.000 0.830 313 L CB -0.274 41.813 42.059 0.047 0.000 0.959 313 L HN 0.270 nan 8.230 nan 0.000 0.457 314 D N 0.312 120.755 120.400 0.073 0.000 2.354 314 D HA -0.023 4.607 4.640 -0.016 0.000 0.238 314 D C 0.019 176.366 176.300 0.079 0.000 1.250 314 D CA -0.065 53.974 54.000 0.065 0.000 0.911 314 D CB 0.686 41.522 40.800 0.059 0.000 1.163 314 D HN -0.237 nan 8.370 nan 0.000 0.456 315 L N 2.524 123.796 121.223 0.082 0.000 2.423 315 L HA 0.139 4.469 4.340 -0.016 0.000 0.249 315 L C 0.368 177.286 176.870 0.081 0.000 1.276 315 L CA 0.432 55.331 54.840 0.099 0.000 1.199 315 L CB -1.206 40.931 42.059 0.130 0.000 1.407 315 L HN 0.417 nan 8.230 nan 0.000 0.410 316 S N -0.892 114.849 115.700 0.070 0.000 2.602 316 S HA 0.189 4.649 4.470 -0.016 0.000 0.240 316 S C 0.524 175.152 174.600 0.046 0.000 0.992 316 S CA -0.593 57.640 58.200 0.055 0.000 0.971 316 S CB -0.040 63.191 63.200 0.051 0.000 0.855 316 S HN 0.485 nan 8.310 nan 0.000 0.481 317 T N 2.171 116.756 114.554 0.051 0.000 2.922 317 T HA 0.356 4.696 4.350 -0.016 0.000 0.285 317 T C -0.565 174.164 174.700 0.049 0.000 1.005 317 T CA -0.544 61.584 62.100 0.048 0.000 1.061 317 T CB 0.995 69.908 68.868 0.074 0.000 1.007 317 T HN 0.214 nan 8.240 nan 0.000 0.502 318 D N 1.802 122.231 120.400 0.048 0.000 2.358 318 D HA 0.055 4.686 4.640 -0.016 0.000 0.258 318 D C 0.656 177.021 176.300 0.108 0.000 1.223 318 D CA -0.376 53.657 54.000 0.054 0.000 0.886 318 D CB 0.469 41.289 40.800 0.033 0.000 1.120 318 D HN 0.223 nan 8.370 nan 0.000 0.482 319 M N 2.628 122.248 119.600 0.032 0.000 2.495 319 M HA -0.000 4.470 4.480 -0.016 0.000 0.237 319 M C 1.615 177.901 176.300 -0.023 0.000 1.131 319 M CA 0.360 55.608 55.300 -0.087 0.000 1.032 319 M CB -1.046 31.358 32.600 -0.326 0.000 1.513 319 M HN 0.470 nan 8.290 nan 0.000 0.488 320 T N -3.039 111.555 114.554 0.067 0.000 3.065 320 T HA 0.106 4.447 4.350 -0.016 0.000 0.252 320 T C 0.966 175.724 174.700 0.096 0.000 1.099 320 T CA -0.051 62.084 62.100 0.059 0.000 1.063 320 T CB 0.255 69.155 68.868 0.054 0.000 0.948 320 T HN 0.161 nan 8.240 nan 0.000 0.506 321 Q N 2.482 122.381 119.800 0.164 0.000 2.584 321 Q HA 0.304 4.635 4.340 -0.016 0.000 0.235 321 Q C -2.488 173.639 176.000 0.212 0.000 1.079 321 Q CA -2.001 53.885 55.803 0.139 0.000 0.977 321 Q CB -0.192 28.537 28.738 -0.015 0.000 1.293 321 Q HN 0.259 nan 8.270 nan 0.000 0.553 322 P HA 0.050 nan 4.420 nan 0.000 0.274 322 P C 0.860 178.264 177.300 0.174 0.000 1.231 322 P CA -0.528 62.614 63.100 0.069 0.000 0.790 322 P CB 0.579 32.294 31.700 0.025 0.000 0.951 323 L N 1.661 122.937 121.223 0.089 0.000 2.064 323 L HA -0.247 4.084 4.340 -0.016 0.000 0.216 323 L C 2.169 179.171 176.870 0.220 0.000 1.077 323 L CA 2.703 57.646 54.840 0.172 0.000 0.766 323 L CB -2.184 39.926 42.059 0.086 0.000 0.890 323 L HN 0.437 nan 8.230 nan 0.000 0.435 324 S N -0.632 115.121 115.700 0.090 0.000 2.419 324 S HA -0.111 4.350 4.470 -0.016 0.000 0.233 324 S C 1.965 176.524 174.600 -0.068 0.000 1.016 324 S CA 0.838 59.040 58.200 0.004 0.000 0.974 324 S CB -0.511 62.656 63.200 -0.054 0.000 0.786 324 S HN 0.415 nan 8.310 nan 0.000 0.492 325 A N -0.097 122.673 122.820 -0.084 0.000 2.209 325 A HA 0.276 4.587 4.320 -0.016 0.000 0.212 325 A C 0.124 177.355 177.584 -0.589 0.000 1.158 325 A CA 0.230 52.057 52.037 -0.350 0.000 0.742 325 A CB -0.428 18.315 19.000 -0.429 0.000 0.790 325 A HN 0.566 nan 8.150 nan 0.000 0.472 326 Y N -1.786 118.408 120.300 -0.177 0.000 2.409 326 Y HA 0.555 5.096 4.550 -0.016 0.000 0.339 326 Y C -0.364 175.400 175.900 -0.227 0.000 1.033 326 Y CA -1.461 56.542 58.100 -0.160 0.000 1.094 326 Y CB 0.917 39.437 38.460 0.099 0.000 1.210 326 Y HN 0.116 nan 8.280 nan 0.000 0.456 327 F N 3.577 123.571 119.950 0.073 0.000 2.472 327 F HA 0.319 4.836 4.527 -0.016 0.000 0.364 327 F C -0.005 175.892 175.800 0.163 0.000 1.090 327 F CA -0.402 57.613 58.000 0.025 0.000 1.188 327 F CB -0.010 38.783 39.000 -0.345 0.000 1.105 327 F HN 0.201 nan 8.300 nan 0.000 0.536 328 I N 3.370 124.116 120.570 0.293 0.000 2.354 328 I HA 0.180 4.341 4.170 -0.016 0.000 0.292 328 I C 0.055 176.153 176.117 -0.031 0.000 0.989 328 I CA -0.849 60.416 61.300 -0.057 0.000 1.188 328 I CB 1.262 39.084 38.000 -0.297 0.000 1.342 328 I HN 0.450 nan 8.210 nan 0.000 0.457 329 N N 4.420 122.749 118.700 -0.618 0.000 2.452 329 N HA 0.149 4.880 4.740 -0.016 0.000 0.266 329 N C -1.205 174.110 175.510 -0.326 0.000 1.209 329 N CA 0.516 52.965 53.050 -1.002 0.000 0.929 329 N CB 0.531 37.934 38.487 -1.806 0.000 1.063 329 N HN 0.542 nan 8.380 nan 0.000 0.472 330 S N 1.283 116.940 115.700 -0.072 0.000 2.541 330 S HA 0.421 4.882 4.470 -0.016 0.000 0.280 330 S C -1.076 173.457 174.600 -0.112 0.000 1.112 330 S CA -0.857 57.308 58.200 -0.059 0.000 0.925 330 S CB 1.529 64.747 63.200 0.030 0.000 1.067 330 S HN 0.530 nan 8.310 nan 0.000 0.479 331 S N 1.373 116.864 115.700 -0.347 0.000 2.433 331 S HA 0.393 4.854 4.470 -0.016 0.000 0.310 331 S C -0.949 173.500 174.600 -0.252 0.000 1.097 331 S CA -0.532 57.318 58.200 -0.584 0.000 1.103 331 S CB 0.235 62.859 63.200 -0.960 0.000 0.992 331 S HN 0.747 nan 8.310 nan 0.000 0.469 332 H N 4.722 123.659 119.070 -0.221 0.000 2.723 332 H HA 0.375 4.922 4.556 -0.016 0.000 0.294 332 H C 0.247 175.430 175.328 -0.242 0.000 1.079 332 H CA 0.606 56.568 56.048 -0.142 0.000 1.411 332 H CB -0.046 29.705 29.762 -0.018 0.000 1.439 332 H HN 0.783 nan 8.280 nan 0.000 0.474 333 N N 3.225 121.446 118.700 -0.798 0.000 2.756 333 N HA -0.197 4.533 4.740 -0.016 0.000 0.248 333 N C 0.720 175.708 175.510 -0.870 0.000 1.062 333 N CA 1.213 53.714 53.050 -0.915 0.000 0.696 333 N CB -1.399 36.397 38.487 -1.152 0.000 0.946 333 N HN 0.824 nan 8.380 nan 0.000 0.548 334 T N -1.138 113.043 114.554 -0.621 0.000 2.653 334 T HA -0.315 4.025 4.350 -0.016 0.000 0.267 334 T C 1.574 175.856 174.700 -0.696 0.000 1.037 334 T CA 2.136 63.815 62.100 -0.702 0.000 1.159 334 T CB -0.538 67.814 68.868 -0.860 0.000 0.859 334 T HN 0.703 nan 8.240 nan 0.000 0.449 335 Y N 1.281 121.325 120.300 -0.428 0.000 2.446 335 Y HA 0.143 4.684 4.550 -0.016 0.000 0.287 335 Y C 0.744 176.634 175.900 -0.018 0.000 1.159 335 Y CA -0.093 57.973 58.100 -0.057 0.000 1.297 335 Y CB -1.198 37.417 38.460 0.259 0.000 0.974 335 Y HN 0.163 nan 8.280 nan 0.000 0.557 336 L N 1.796 122.752 121.223 -0.446 0.000 2.326 336 L HA 0.200 4.530 4.340 -0.016 0.000 0.278 336 L C 1.411 178.232 176.870 -0.082 0.000 1.092 336 L CA 0.204 54.928 54.840 -0.194 0.000 0.810 336 L CB 1.422 43.294 42.059 -0.313 0.000 1.153 336 L HN 0.301 nan 8.230 nan 0.000 0.439 337 T N -1.403 113.157 114.554 0.010 0.000 3.022 337 T HA 0.400 4.740 4.350 -0.016 0.000 0.250 337 T C 0.629 175.348 174.700 0.031 0.000 1.060 337 T CA 0.481 62.600 62.100 0.031 0.000 1.013 337 T CB 0.598 69.504 68.868 0.064 0.000 0.982 337 T HN 0.678 nan 8.240 nan 0.000 0.508 338 A N 1.036 123.873 122.820 0.028 0.000 2.098 338 A HA 0.835 5.145 4.320 -0.016 0.000 0.179 338 A C 0.903 178.504 177.584 0.030 0.000 1.358 338 A CA -0.010 52.047 52.037 0.033 0.000 1.998 338 A CB -0.247 18.779 19.000 0.045 0.000 2.323 338 A HN 0.552 nan 8.150 nan 0.000 0.955 339 G N -1.024 107.804 108.800 0.047 0.000 2.547 339 G HA2 0.452 4.403 3.960 -0.016 0.000 0.291 339 G HA3 0.452 4.403 3.960 -0.016 0.000 0.291 339 G C 0.023 174.965 174.900 0.071 0.000 1.211 339 G CA -0.064 45.071 45.100 0.058 0.000 0.950 339 G HN 0.320 nan 8.290 nan 0.000 0.504 340 Q N -0.542 119.316 119.800 0.097 0.000 2.204 340 Q HA 0.118 4.448 4.340 -0.016 0.000 0.198 340 Q C 2.635 178.834 176.000 0.331 0.000 0.946 340 Q CA 0.643 56.531 55.803 0.141 0.000 0.859 340 Q CB -0.018 28.805 28.738 0.143 0.000 0.946 340 Q HN 0.567 nan 8.270 nan 0.000 0.474 341 L N -0.325 121.034 121.223 0.227 0.000 2.116 341 L HA 0.169 4.499 4.340 -0.016 0.000 0.200 341 L C 0.968 177.930 176.870 0.153 0.000 1.084 341 L CA 0.558 55.513 54.840 0.191 0.000 0.766 341 L CB -0.280 41.855 42.059 0.126 0.000 0.930 341 L HN -0.068 nan 8.230 nan 0.000 0.453 342 A N -0.432 122.459 122.820 0.118 0.000 2.317 342 A HA 0.685 4.996 4.320 -0.016 0.000 0.327 342 A C -0.068 177.575 177.584 0.100 0.000 1.178 342 A CA 0.193 52.288 52.037 0.097 0.000 0.817 342 A CB 1.156 20.198 19.000 0.071 0.000 1.189 342 A HN 0.400 nan 8.150 nan 0.000 0.489 343 G N -0.035 108.825 108.800 0.101 0.000 2.361 343 G HA2 0.422 4.373 3.960 -0.016 0.000 0.305 343 G HA3 0.422 4.373 3.960 -0.016 0.000 0.305 343 G C -0.546 174.422 174.900 0.113 0.000 1.367 343 G CA -0.328 44.830 45.100 0.096 0.000 0.951 343 G HN 0.844 nan 8.290 nan 0.000 0.615 344 T N 0.779 115.396 114.554 0.105 0.000 2.899 344 T HA 0.592 4.932 4.350 -0.016 0.000 0.295 344 T C 0.862 175.662 174.700 0.167 0.000 1.033 344 T CA 0.653 62.826 62.100 0.121 0.000 1.084 344 T CB 0.849 69.778 68.868 0.101 0.000 0.979 344 T HN 1.484 nan 8.240 nan 0.000 0.532 345 S N 0.989 116.813 115.700 0.207 0.000 2.532 345 S HA 0.746 5.207 4.470 -0.016 0.000 0.301 345 S C -0.567 174.174 174.600 0.235 0.000 1.083 345 S CA -0.809 57.567 58.200 0.293 0.000 1.025 345 S CB 1.875 65.327 63.200 0.421 0.000 1.056 345 S HN 0.549 nan 8.310 nan 0.000 0.494 346 S N 1.368 117.222 115.700 0.257 0.000 2.547 346 S HA 0.442 4.902 4.470 -0.016 0.000 0.281 346 S C 0.657 175.445 174.600 0.315 0.000 1.118 346 S CA -0.775 57.561 58.200 0.226 0.000 0.947 346 S CB 1.366 64.671 63.200 0.176 0.000 1.053 346 S HN 0.646 nan 8.310 nan 0.000 0.482 347 V N 3.944 124.014 119.914 0.261 0.000 2.490 347 V HA -0.076 4.034 4.120 -0.016 0.000 0.250 347 V C 2.510 178.789 176.094 0.308 0.000 1.061 347 V CA 2.338 64.801 62.300 0.272 0.000 1.064 347 V CB -0.761 31.142 31.823 0.133 0.000 0.670 347 V HN 0.924 nan 8.190 nan 0.000 0.461 348 E N 0.020 120.362 120.200 0.236 0.000 2.051 348 E HA -0.231 4.109 4.350 -0.016 0.000 0.192 348 E C 2.142 178.862 176.600 0.200 0.000 0.991 348 E CA 1.423 57.955 56.400 0.219 0.000 0.799 348 E CB -0.336 29.501 29.700 0.228 0.000 0.748 348 E HN 0.276 nan 8.360 nan 0.000 0.449 349 M N -0.222 119.481 119.600 0.172 0.000 2.146 349 M HA -0.237 4.234 4.480 -0.016 0.000 0.256 349 M C 1.872 178.176 176.300 0.006 0.000 1.075 349 M CA 1.571 56.914 55.300 0.072 0.000 1.082 349 M CB -1.089 31.511 32.600 0.001 0.000 1.355 349 M HN 0.274 nan 8.290 nan 0.000 0.402 350 Y N 0.043 120.386 120.300 0.071 0.000 2.089 350 Y HA -0.227 4.313 4.550 -0.016 0.000 0.282 350 Y C 2.588 178.515 175.900 0.046 0.000 1.139 350 Y CA 1.724 59.851 58.100 0.045 0.000 1.123 350 Y CB -0.522 37.972 38.460 0.057 0.000 0.980 350 Y HN 0.240 nan 8.280 nan 0.000 0.493 351 R N -0.078 120.554 120.500 0.221 0.000 2.113 351 R HA -0.249 4.082 4.340 -0.016 0.000 0.244 351 R C 2.094 178.461 176.300 0.112 0.000 1.142 351 R CA 1.705 57.885 56.100 0.133 0.000 0.953 351 R CB -0.665 29.706 30.300 0.118 0.000 0.860 351 R HN 0.412 nan 8.270 nan 0.000 0.438 352 Q N 0.460 120.324 119.800 0.107 0.000 2.014 352 Q HA -0.150 4.180 4.340 -0.016 0.000 0.207 352 Q C 2.308 178.433 176.000 0.208 0.000 0.993 352 Q CA 1.998 57.858 55.803 0.095 0.000 0.850 352 Q CB -0.710 28.067 28.738 0.065 0.000 0.916 352 Q HN 0.405 nan 8.270 nan 0.000 0.417 353 A N 0.798 123.750 122.820 0.219 0.000 1.884 353 A HA -0.205 4.106 4.320 -0.016 0.000 0.219 353 A C 2.302 180.045 177.584 0.266 0.000 1.197 353 A CA 1.903 54.120 52.037 0.301 0.000 0.637 353 A CB -0.900 18.051 19.000 -0.082 0.000 0.827 353 A HN 0.342 nan 8.150 nan 0.000 0.450 354 L N -0.976 120.325 121.223 0.131 0.000 2.217 354 L HA -0.054 4.276 4.340 -0.016 0.000 0.211 354 L C 2.381 179.325 176.870 0.122 0.000 1.107 354 L CA 0.632 55.517 54.840 0.074 0.000 0.783 354 L CB -0.389 41.669 42.059 -0.002 0.000 0.919 354 L HN 0.318 nan 8.230 nan 0.000 0.442 355 L N -1.965 119.355 121.223 0.161 0.000 2.131 355 L HA -0.155 4.176 4.340 -0.016 0.000 0.206 355 L C 2.309 179.327 176.870 0.246 0.000 1.087 355 L CA 1.162 56.107 54.840 0.175 0.000 0.767 355 L CB -0.490 41.654 42.059 0.142 0.000 0.917 355 L HN 0.361 nan 8.230 nan 0.000 0.441 356 W N 0.525 121.861 121.300 0.060 0.000 2.436 356 W HA -0.172 4.478 4.660 -0.016 0.000 0.261 356 W C 1.430 177.969 176.519 0.033 0.000 1.222 356 W CA 0.494 57.864 57.345 0.041 0.000 1.191 356 W CB 0.250 29.760 29.460 0.083 0.000 1.132 356 W HN 0.421 nan 8.180 nan 0.000 0.596 357 G N -0.927 108.034 108.800 0.268 0.000 2.184 357 G HA2 -0.307 3.644 3.960 -0.016 0.000 0.206 357 G HA3 -0.307 3.644 3.960 -0.016 0.000 0.206 357 G C 0.112 175.012 174.900 0.000 0.000 0.995 357 G CA -0.293 44.874 45.100 0.112 0.000 0.651 357 G HN 0.260 nan 8.290 nan 0.000 0.511 358 C N 1.374 120.711 119.300 0.061 0.000 2.657 358 C HA 0.622 5.072 4.460 -0.016 0.000 0.420 358 C C 1.590 176.535 174.990 -0.075 0.000 1.323 358 C CA 0.112 59.119 59.018 -0.020 0.000 1.894 358 C CB 0.143 27.895 27.740 0.021 0.000 2.681 358 C HN 0.432 nan 8.230 nan 0.000 0.613 359 R N 2.872 123.290 120.500 -0.137 0.000 2.543 359 R HA 0.256 4.586 4.340 -0.016 0.000 0.323 359 R C -0.398 175.843 176.300 -0.099 0.000 1.002 359 R CA 0.113 56.160 56.100 -0.089 0.000 1.106 359 R CB -0.004 30.240 30.300 -0.094 0.000 1.280 359 R HN 0.733 nan 8.270 nan 0.000 0.549 360 C N 0.815 120.034 119.300 -0.134 0.000 3.008 360 C HA 0.459 4.909 4.460 -0.016 0.000 0.405 360 C C -0.890 174.000 174.990 -0.166 0.000 1.046 360 C CA -0.659 58.285 59.018 -0.123 0.000 1.249 360 C CB 0.218 27.903 27.740 -0.092 0.000 1.656 360 C HN 0.171 nan 8.230 nan 0.000 0.517 361 V N 2.609 122.437 119.914 -0.144 0.000 2.715 361 V HA 0.694 4.804 4.120 -0.016 0.000 0.310 361 V C -0.333 175.703 176.094 -0.097 0.000 1.054 361 V CA -0.475 61.737 62.300 -0.147 0.000 0.928 361 V CB 1.881 33.692 31.823 -0.020 0.000 1.007 361 V HN 0.908 nan 8.190 nan 0.000 0.437 362 E N 2.572 122.715 120.200 -0.096 0.000 2.134 362 E HA 0.549 4.889 4.350 -0.016 0.000 0.278 362 E C -1.608 175.092 176.600 0.166 0.000 0.959 362 E CA -0.789 55.592 56.400 -0.032 0.000 0.783 362 E CB 1.443 31.089 29.700 -0.090 0.000 1.095 362 E HN 0.713 nan 8.360 nan 0.000 0.399 363 L N 4.984 126.276 121.223 0.114 0.000 2.297 363 L HA 0.247 4.577 4.340 -0.016 0.000 0.277 363 L C -0.754 176.203 176.870 0.144 0.000 1.040 363 L CA -0.485 54.487 54.840 0.221 0.000 0.867 363 L CB 1.034 43.220 42.059 0.212 0.000 1.244 363 L HN 0.389 nan 8.230 nan 0.000 0.433 364 D N 2.788 123.261 120.400 0.121 0.000 2.455 364 D HA 0.161 4.792 4.640 -0.016 0.000 0.234 364 D C 0.255 176.444 176.300 -0.184 0.000 1.224 364 D CA 0.118 54.087 54.000 -0.052 0.000 0.999 364 D CB 0.577 41.494 40.800 0.194 0.000 1.072 364 D HN 0.247 nan 8.370 nan 0.000 0.514 365 V N -0.644 119.074 119.914 -0.326 0.000 2.644 365 V HA 0.741 4.852 4.120 -0.016 0.000 0.295 365 V C -0.562 175.164 176.094 -0.613 0.000 1.053 365 V CA -0.715 61.403 62.300 -0.304 0.000 0.987 365 V CB 1.148 32.866 31.823 -0.175 0.000 1.006 365 V HN 0.231 nan 8.190 nan 0.000 0.472 366 W N 0.791 121.806 121.300 -0.475 0.000 2.962 366 W HA 0.753 5.403 4.660 -0.016 0.000 0.341 366 W C 0.344 176.638 176.519 -0.374 0.000 1.155 366 W CA -0.559 56.495 57.345 -0.485 0.000 1.165 366 W CB 1.393 30.357 29.460 -0.826 0.000 1.435 366 W HN 0.879 nan 8.180 nan 0.000 0.546 367 K N 1.164 121.622 120.400 0.097 0.000 2.484 367 K HA 0.449 4.760 4.320 -0.016 0.000 0.280 367 K C 0.579 177.319 176.600 0.234 0.000 1.013 367 K CA 0.590 56.956 56.287 0.132 0.000 1.029 367 K CB -0.631 31.971 32.500 0.169 0.000 0.902 367 K HN 0.802 nan 8.250 nan 0.000 0.481 368 G N 1.296 110.226 108.800 0.217 0.000 2.529 368 G HA2 0.426 4.376 3.960 -0.016 0.000 0.234 368 G HA3 0.426 4.376 3.960 -0.016 0.000 0.234 368 G C -0.160 174.897 174.900 0.262 0.000 1.527 368 G CA -0.163 45.122 45.100 0.308 0.000 1.062 368 G HN 0.730 nan 8.290 nan 0.000 0.558 369 R N 0.007 120.611 120.500 0.174 0.000 2.778 369 R HA 0.423 4.753 4.340 -0.016 0.000 0.277 369 R C -1.535 174.809 176.300 0.073 0.000 0.977 369 R CA -1.634 54.533 56.100 0.112 0.000 0.950 369 R CB 1.621 31.963 30.300 0.071 0.000 1.165 369 R HN 0.193 nan 8.270 nan 0.000 0.474 370 P HA -0.112 nan 4.420 nan 0.000 0.213 370 P C -1.327 175.989 177.300 0.028 0.000 1.170 370 P CA 1.638 64.759 63.100 0.035 0.000 0.898 370 P CB -0.707 31.007 31.700 0.024 0.000 0.787 371 P HA -0.174 nan 4.420 nan 0.000 0.216 371 P C 0.948 178.260 177.300 0.019 0.000 1.157 371 P CA 1.798 64.907 63.100 0.015 0.000 0.880 371 P CB -0.119 31.586 31.700 0.008 0.000 0.791 372 E N -0.706 119.511 120.200 0.028 0.000 3.686 372 E HA 0.192 4.533 4.350 -0.016 0.000 0.357 372 E C 0.894 177.520 176.600 0.044 0.000 0.562 372 E CA 0.005 56.426 56.400 0.035 0.000 2.008 372 E CB -0.114 29.610 29.700 0.039 0.000 2.161 372 E HN 0.322 nan 8.360 nan 0.000 0.464 373 E N -1.047 119.189 120.200 0.060 0.000 2.574 373 E HA 0.104 4.445 4.350 -0.016 0.000 0.116 373 E C -0.752 175.895 176.600 0.079 0.000 0.812 373 E CA -0.179 56.257 56.400 0.061 0.000 1.417 373 E CB -0.030 29.692 29.700 0.036 0.000 0.987 373 E HN 0.025 nan 8.360 nan 0.000 0.452 374 E N 2.819 123.088 120.200 0.115 0.000 2.227 374 E HA 0.328 4.669 4.350 -0.016 0.000 0.282 374 E C -2.393 174.326 176.600 0.199 0.000 1.015 374 E CA -2.146 54.346 56.400 0.152 0.000 0.823 374 E CB 1.582 31.381 29.700 0.166 0.000 1.081 374 E HN 0.112 nan 8.360 nan 0.000 0.396 375 P HA 0.195 nan 4.420 nan 0.000 0.275 375 P C -0.686 176.757 177.300 0.239 0.000 1.227 375 P CA -0.171 63.018 63.100 0.148 0.000 0.781 375 P CB 0.241 31.957 31.700 0.026 0.000 0.906 376 F N 0.621 120.652 119.950 0.136 0.000 2.631 376 F HA 0.767 5.284 4.527 -0.016 0.000 0.328 376 F C -1.121 174.777 175.800 0.162 0.000 1.067 376 F CA -1.566 56.509 58.000 0.124 0.000 0.969 376 F CB 1.073 40.137 39.000 0.107 0.000 1.332 376 F HN 0.036 nan 8.300 nan 0.000 0.490 377 I N 1.573 122.316 120.570 0.288 0.000 2.378 377 I HA 0.572 4.733 4.170 -0.016 0.000 0.291 377 I C -0.158 176.001 176.117 0.070 0.000 0.992 377 I CA -0.233 61.114 61.300 0.079 0.000 1.154 377 I CB 1.916 39.901 38.000 -0.025 0.000 1.315 377 I HN 0.941 nan 8.210 nan 0.000 0.448 378 T N 3.310 117.840 114.554 -0.039 0.000 2.665 378 T HA 0.243 4.584 4.350 -0.016 0.000 0.303 378 T C -1.587 173.170 174.700 0.094 0.000 1.334 378 T CA -0.517 61.537 62.100 -0.076 0.000 1.011 378 T CB 1.351 70.282 68.868 0.106 0.000 1.573 378 T HN 0.627 nan 8.240 nan 0.000 0.492 379 H N 0.078 119.253 119.070 0.174 0.000 2.685 379 H HA 0.434 4.981 4.556 -0.016 0.000 0.286 379 H C 0.964 176.337 175.328 0.075 0.000 1.102 379 H CA 0.258 56.492 56.048 0.311 0.000 1.254 379 H CB -0.233 29.745 29.762 0.360 0.000 1.397 379 H HN 1.118 nan 8.280 nan 0.000 0.473 380 G N 5.541 114.340 108.800 -0.000 0.000 2.395 380 G HA2 -0.327 3.624 3.960 -0.016 0.000 0.292 380 G HA3 -0.327 3.624 3.960 -0.016 0.000 0.292 380 G C 0.304 174.946 174.900 -0.430 0.000 0.953 380 G CA 0.411 45.346 45.100 -0.275 0.000 1.207 380 G HN 0.952 nan 8.290 nan 0.000 0.503 381 F N -0.726 118.826 119.950 -0.664 0.000 2.455 381 F HA -0.278 4.240 4.527 -0.016 0.000 0.162 381 F C 1.997 177.668 175.800 -0.216 0.000 1.075 381 F CA 0.883 58.650 58.000 -0.389 0.000 0.794 381 F CB -1.312 37.493 39.000 -0.326 0.000 0.629 381 F HN 0.680 nan 8.300 nan 0.000 0.825 382 T N -2.050 112.485 114.554 -0.032 0.000 3.440 382 T HA 0.395 4.736 4.350 -0.016 0.000 0.308 382 T C 1.044 175.766 174.700 0.038 0.000 1.249 382 T CA -0.654 61.438 62.100 -0.013 0.000 0.903 382 T CB 0.682 69.523 68.868 -0.045 0.000 2.240 382 T HN 0.212 nan 8.240 nan 0.000 0.546 383 M N 2.078 121.712 119.600 0.057 0.000 2.771 383 M HA 0.240 4.711 4.480 -0.016 0.000 0.341 383 M C 0.269 176.615 176.300 0.076 0.000 1.226 383 M CA -0.365 54.968 55.300 0.054 0.000 0.955 383 M CB -0.494 32.134 32.600 0.046 0.000 1.318 383 M HN 0.794 nan 8.290 nan 0.000 0.514 384 T N -0.794 113.824 114.554 0.107 0.000 2.867 384 T HA 0.524 4.865 4.350 -0.016 0.000 0.282 384 T C 0.641 175.408 174.700 0.110 0.000 1.000 384 T CA -0.511 61.671 62.100 0.137 0.000 1.042 384 T CB 1.834 70.838 68.868 0.227 0.000 0.973 384 T HN 0.370 nan 8.240 nan 0.000 0.465 385 T N 0.818 115.431 114.554 0.099 0.000 2.732 385 T HA 0.581 4.922 4.350 -0.016 0.000 0.287 385 T C -0.387 174.361 174.700 0.081 0.000 0.993 385 T CA -0.683 61.453 62.100 0.059 0.000 0.966 385 T CB 0.321 69.219 68.868 0.051 0.000 1.047 385 T HN 0.863 nan 8.240 nan 0.000 0.527 386 E N -0.975 119.241 120.200 0.028 0.000 2.429 386 E HA 0.638 4.979 4.350 -0.016 0.000 0.276 386 E C -1.146 175.490 176.600 0.061 0.000 0.953 386 E CA -1.279 55.159 56.400 0.063 0.000 0.787 386 E CB 1.819 31.496 29.700 -0.038 0.000 1.307 386 E HN 0.877 nan 8.360 nan 0.000 0.458 387 V N -2.086 117.916 119.914 0.146 0.000 2.733 387 V HA 0.665 4.776 4.120 -0.016 0.000 0.306 387 V C -2.828 173.361 176.094 0.159 0.000 1.084 387 V CA -2.645 59.731 62.300 0.126 0.000 0.905 387 V CB 1.806 33.711 31.823 0.137 0.000 1.010 387 V HN 0.513 nan 8.190 nan 0.000 0.424 388 P HA 0.044 nan 4.420 nan 0.000 0.261 388 P C 0.836 178.200 177.300 0.107 0.000 1.173 388 P CA 0.170 63.349 63.100 0.132 0.000 0.760 388 P CB 0.686 32.431 31.700 0.074 0.000 0.783 389 L N 5.275 126.579 121.223 0.137 0.000 2.042 389 L HA -0.172 4.158 4.340 -0.016 0.000 0.210 389 L C 2.330 179.231 176.870 0.051 0.000 1.076 389 L CA 1.813 56.711 54.840 0.096 0.000 0.749 389 L CB -0.748 41.390 42.059 0.132 0.000 0.893 389 L HN 0.266 nan 8.230 nan 0.000 0.432 390 R N -0.493 120.037 120.500 0.051 0.000 2.117 390 R HA -0.215 4.116 4.340 -0.016 0.000 0.243 390 R C 1.788 178.005 176.300 -0.138 0.000 1.143 390 R CA 2.165 58.180 56.100 -0.142 0.000 0.968 390 R CB -0.386 29.758 30.300 -0.261 0.000 0.863 390 R HN 0.519 nan 8.270 nan 0.000 0.444 391 D N -0.446 119.916 120.400 -0.064 0.000 2.097 391 D HA -0.114 4.517 4.640 -0.016 0.000 0.197 391 D C 1.945 178.210 176.300 -0.058 0.000 0.984 391 D CA 1.142 55.115 54.000 -0.045 0.000 0.826 391 D CB -0.243 40.556 40.800 -0.003 0.000 0.973 391 D HN 0.040 nan 8.370 nan 0.000 0.460 392 V N 0.882 120.739 119.914 -0.095 0.000 2.392 392 V HA -0.221 3.890 4.120 -0.016 0.000 0.249 392 V C 2.487 178.465 176.094 -0.194 0.000 1.059 392 V CA 1.233 63.381 62.300 -0.253 0.000 1.051 392 V CB -0.510 31.042 31.823 -0.451 0.000 0.658 392 V HN 0.217 nan 8.190 nan 0.000 0.455 393 L N -0.534 120.631 121.223 -0.096 0.000 2.141 393 L HA -0.129 4.201 4.340 -0.016 0.000 0.209 393 L C 2.677 179.487 176.870 -0.100 0.000 1.094 393 L CA 1.311 56.125 54.840 -0.044 0.000 0.763 393 L CB -0.536 41.442 42.059 -0.135 0.000 0.908 393 L HN 0.376 nan 8.230 nan 0.000 0.437 394 E N 0.162 120.302 120.200 -0.100 0.000 2.072 394 E HA -0.176 4.164 4.350 -0.016 0.000 0.190 394 E C 2.340 178.971 176.600 0.052 0.000 0.982 394 E CA 1.196 57.573 56.400 -0.038 0.000 0.803 394 E CB -0.125 29.561 29.700 -0.023 0.000 0.755 394 E HN 0.476 nan 8.360 nan 0.000 0.453 395 A N 1.735 124.577 122.820 0.037 0.000 1.892 395 A HA -0.206 4.104 4.320 -0.016 0.000 0.218 395 A C 2.285 179.906 177.584 0.062 0.000 1.188 395 A CA 1.431 53.499 52.037 0.052 0.000 0.631 395 A CB -0.795 18.243 19.000 0.063 0.000 0.822 395 A HN 0.150 nan 8.150 nan 0.000 0.447 396 I N -0.319 120.313 120.570 0.102 0.000 2.226 396 I HA -0.273 3.888 4.170 -0.016 0.000 0.245 396 I C 2.982 179.214 176.117 0.190 0.000 1.100 396 I CA 0.975 62.361 61.300 0.144 0.000 1.374 396 I CB -0.397 37.736 38.000 0.223 0.000 1.057 396 I HN 0.364 nan 8.210 nan 0.000 0.413 397 A N 1.438 124.469 122.820 0.353 0.000 1.917 397 A HA -0.299 4.012 4.320 -0.016 0.000 0.219 397 A C 2.222 179.899 177.584 0.154 0.000 1.182 397 A CA 2.422 54.675 52.037 0.360 0.000 0.633 397 A CB -0.796 18.351 19.000 0.245 0.000 0.819 397 A HN 0.680 nan 8.150 nan 0.000 0.448 398 E N -0.682 119.532 120.200 0.023 0.000 2.112 398 E HA -0.110 4.231 4.350 -0.016 0.000 0.190 398 E C 1.664 178.148 176.600 -0.193 0.000 0.979 398 E CA 1.603 57.879 56.400 -0.206 0.000 0.814 398 E CB -0.637 28.662 29.700 -0.669 0.000 0.762 398 E HN 0.577 nan 8.360 nan 0.000 0.460 399 T N -2.538 111.947 114.554 -0.115 0.000 3.044 399 T HA 0.417 4.758 4.350 -0.016 0.000 0.250 399 T C 1.965 176.602 174.700 -0.104 0.000 1.081 399 T CA 0.173 62.219 62.100 -0.089 0.000 1.040 399 T CB 0.388 69.236 68.868 -0.033 0.000 0.962 399 T HN 0.256 nan 8.240 nan 0.000 0.506 400 A N 1.181 123.887 122.820 -0.190 0.000 1.978 400 A HA 0.150 4.460 4.320 -0.016 0.000 0.220 400 A C 1.236 178.300 177.584 -0.867 0.000 1.170 400 A CA 0.970 52.683 52.037 -0.540 0.000 0.636 400 A CB -0.785 17.780 19.000 -0.724 0.000 0.810 400 A HN 0.593 nan 8.150 nan 0.000 0.448 401 F N -1.369 118.595 119.950 0.024 0.000 2.791 401 F HA 0.294 4.811 4.527 -0.017 0.000 0.316 401 F C 1.404 177.225 175.800 0.035 0.000 1.134 401 F CA -0.551 57.461 58.000 0.020 0.000 1.222 401 F CB 0.348 39.343 39.000 -0.009 0.000 1.034 401 F HN 0.009 nan 8.300 nan 0.000 0.516 402 K N 0.048 120.527 120.400 0.132 0.000 2.148 402 K HA -0.073 4.237 4.320 -0.016 0.000 0.204 402 K C 1.669 178.456 176.600 0.311 0.000 1.050 402 K CA 1.865 58.245 56.287 0.155 0.000 0.942 402 K CB -0.122 32.409 32.500 0.053 0.000 0.724 402 K HN 0.319 nan 8.250 nan 0.000 0.446 403 T N -3.376 111.325 114.554 0.245 0.000 3.091 403 T HA 0.179 4.520 4.350 -0.016 0.000 0.277 403 T C 0.029 174.831 174.700 0.171 0.000 0.996 403 T CA -0.538 61.690 62.100 0.212 0.000 0.897 403 T CB 0.699 69.678 68.868 0.186 0.000 1.109 403 T HN -0.026 nan 8.240 nan 0.000 0.534 404 S N 1.502 117.311 115.700 0.182 0.000 2.548 404 S HA 0.521 4.981 4.470 -0.016 0.000 0.278 404 S C -2.834 171.886 174.600 0.201 0.000 1.150 404 S CA -0.919 57.391 58.200 0.185 0.000 0.907 404 S CB 2.124 65.469 63.200 0.241 0.000 1.108 404 S HN -0.048 nan 8.310 nan 0.000 0.459 405 P HA 0.205 nan 4.420 nan 0.000 0.255 405 P C -0.412 176.732 177.300 -0.260 0.000 1.248 405 P CA 0.160 63.158 63.100 -0.169 0.000 0.807 405 P CB -0.218 31.238 31.700 -0.406 0.000 1.150 406 Y N 1.973 122.350 120.300 0.128 0.000 2.301 406 Y HA 0.288 4.829 4.550 -0.015 0.000 0.328 406 Y C -1.566 174.466 175.900 0.221 0.000 1.242 406 Y CA -2.886 55.202 58.100 -0.020 0.000 1.323 406 Y CB -0.665 37.619 38.460 -0.293 0.000 1.266 406 Y HN -0.108 nan 8.280 nan 0.000 0.527 407 P HA 0.026 nan 4.420 nan 0.000 0.267 407 P C -0.837 176.665 177.300 0.336 0.000 1.200 407 P CA 0.120 63.413 63.100 0.321 0.000 0.772 407 P CB 0.749 32.545 31.700 0.160 0.000 0.855 408 V N 3.969 124.022 119.914 0.231 0.000 2.581 408 V HA 0.411 4.521 4.120 -0.016 0.000 0.303 408 V C 0.533 176.630 176.094 0.006 0.000 1.041 408 V CA -0.623 61.701 62.300 0.039 0.000 0.907 408 V CB 1.565 33.288 31.823 -0.166 0.000 0.994 408 V HN 0.357 nan 8.190 nan 0.000 0.442 409 I N 4.871 125.424 120.570 -0.029 0.000 2.382 409 I HA 0.398 4.559 4.170 -0.016 0.000 0.286 409 I C -0.730 175.313 176.117 -0.123 0.000 1.002 409 I CA -0.409 60.864 61.300 -0.044 0.000 1.135 409 I CB 1.652 39.651 38.000 -0.002 0.000 1.288 409 I HN 0.365 nan 8.210 nan 0.000 0.448 410 L N 5.546 126.651 121.223 -0.195 0.000 2.260 410 L HA 0.261 4.592 4.340 -0.016 0.000 0.289 410 L C 0.576 177.164 176.870 -0.471 0.000 1.057 410 L CA -0.074 54.538 54.840 -0.380 0.000 0.811 410 L CB 1.315 43.056 42.059 -0.531 0.000 1.184 410 L HN 0.554 nan 8.230 nan 0.000 0.429 411 S N 4.515 119.994 115.700 -0.368 0.000 2.592 411 S HA 0.402 4.863 4.470 -0.016 0.000 0.305 411 S C -0.390 174.060 174.600 -0.250 0.000 1.118 411 S CA -0.646 57.414 58.200 -0.232 0.000 1.075 411 S CB -0.281 62.850 63.200 -0.115 0.000 1.107 411 S HN 0.267 nan 8.310 nan 0.000 0.503 412 F N 3.197 123.127 119.950 -0.032 0.000 2.444 412 F HA 0.295 4.812 4.527 -0.016 0.000 0.360 412 F C 0.986 176.692 175.800 -0.156 0.000 1.106 412 F CA -0.809 57.140 58.000 -0.085 0.000 1.170 412 F CB 0.735 39.688 39.000 -0.078 0.000 1.113 412 F HN 0.571 nan 8.300 nan 0.000 0.521 413 E N 4.021 124.198 120.200 -0.038 0.000 2.042 413 E HA 0.061 4.402 4.350 -0.016 0.000 0.260 413 E C -0.444 175.814 176.600 -0.571 0.000 0.975 413 E CA -0.498 55.740 56.400 -0.271 0.000 0.799 413 E CB 0.131 29.671 29.700 -0.267 0.000 1.131 413 E HN 0.432 nan 8.360 nan 0.000 0.423 414 N N 2.633 121.046 118.700 -0.478 0.000 2.470 414 N HA 0.030 4.761 4.740 -0.016 0.000 0.268 414 N C -0.564 174.490 175.510 -0.760 0.000 1.136 414 N CA 0.361 53.092 53.050 -0.531 0.000 0.961 414 N CB 0.536 38.843 38.487 -0.301 0.000 1.067 414 N HN 0.604 nan 8.380 nan 0.000 0.468 415 H N 0.128 118.862 119.070 -0.560 0.000 3.052 415 H HA 0.223 4.770 4.556 -0.016 0.000 0.257 415 H C -0.197 174.944 175.328 -0.311 0.000 1.193 415 H CA -0.403 55.327 56.048 -0.530 0.000 1.072 415 H CB 0.790 29.956 29.762 -0.992 0.000 1.685 415 H HN 0.160 nan 8.280 nan 0.000 0.630 416 V N 3.589 123.384 119.914 -0.197 0.000 2.572 416 V HA -0.008 4.103 4.120 -0.016 0.000 0.291 416 V C 0.181 176.230 176.094 -0.075 0.000 1.039 416 V CA 0.092 62.325 62.300 -0.110 0.000 1.055 416 V CB 0.661 32.398 31.823 -0.144 0.000 0.969 416 V HN 0.442 nan 8.190 nan 0.000 0.482 417 D N 2.919 123.305 120.400 -0.023 0.000 2.502 417 D HA 0.366 4.996 4.640 -0.016 0.000 0.301 417 D C -0.515 175.779 176.300 -0.010 0.000 1.202 417 D CA -0.276 53.717 54.000 -0.013 0.000 0.878 417 D CB 1.075 41.885 40.800 0.017 0.000 1.062 417 D HN 0.570 nan 8.370 nan 0.000 0.499 418 S N -1.555 114.126 115.700 -0.031 0.000 2.605 418 S HA 0.436 4.897 4.470 -0.016 0.000 0.324 418 S C 0.475 175.046 174.600 -0.048 0.000 0.978 418 S CA -0.522 57.661 58.200 -0.028 0.000 0.864 418 S CB 0.783 63.974 63.200 -0.015 0.000 1.095 418 S HN 0.285 nan 8.310 nan 0.000 0.460 419 A N 2.181 124.974 122.820 -0.045 0.000 2.272 419 A HA -0.038 4.273 4.320 -0.016 0.000 0.213 419 A C 1.824 179.374 177.584 -0.057 0.000 1.183 419 A CA 1.790 53.795 52.037 -0.053 0.000 0.719 419 A CB -0.492 18.483 19.000 -0.042 0.000 0.771 419 A HN 0.870 nan 8.150 nan 0.000 0.484 420 K N -0.798 119.571 120.400 -0.052 0.000 2.056 420 K HA -0.017 4.294 4.320 -0.016 0.000 0.205 420 K C 2.124 178.674 176.600 -0.084 0.000 1.035 420 K CA 0.986 57.240 56.287 -0.056 0.000 0.955 420 K CB -0.207 32.272 32.500 -0.034 0.000 0.769 420 K HN 0.495 nan 8.250 nan 0.000 0.447 421 Q N 0.094 119.848 119.800 -0.076 0.000 2.137 421 Q HA -0.151 4.180 4.340 -0.016 0.000 0.198 421 Q C 2.201 178.113 176.000 -0.147 0.000 0.960 421 Q CA 1.183 56.925 55.803 -0.102 0.000 0.847 421 Q CB 0.092 28.797 28.738 -0.054 0.000 0.915 421 Q HN 0.308 nan 8.270 nan 0.000 0.448 422 Q N 0.667 120.390 119.800 -0.129 0.000 2.077 422 Q HA -0.195 4.136 4.340 -0.016 0.000 0.206 422 Q C 1.891 177.790 176.000 -0.168 0.000 0.989 422 Q CA 2.055 57.766 55.803 -0.154 0.000 0.853 422 Q CB -0.266 28.397 28.738 -0.125 0.000 0.907 422 Q HN 0.420 nan 8.270 nan 0.000 0.418 423 A N -0.090 122.644 122.820 -0.143 0.000 2.015 423 A HA -0.167 4.144 4.320 -0.016 0.000 0.219 423 A C 1.826 179.298 177.584 -0.187 0.000 1.163 423 A CA 1.256 53.212 52.037 -0.136 0.000 0.646 423 A CB -0.314 18.626 19.000 -0.100 0.000 0.806 423 A HN 0.266 nan 8.150 nan 0.000 0.448 424 K N -0.163 120.083 120.400 -0.258 0.000 1.977 424 K HA -0.234 4.076 4.320 -0.016 0.000 0.218 424 K C 2.272 178.534 176.600 -0.565 0.000 1.051 424 K CA 2.161 58.171 56.287 -0.462 0.000 0.953 424 K CB -0.475 31.694 32.500 -0.551 0.000 0.727 424 K HN 0.734 nan 8.250 nan 0.000 0.445 425 M N -0.039 119.287 119.600 -0.458 0.000 2.108 425 M HA -0.171 4.300 4.480 -0.016 0.000 0.257 425 M C 2.261 178.470 176.300 -0.151 0.000 1.071 425 M CA 2.074 57.204 55.300 -0.284 0.000 1.093 425 M CB -0.882 31.571 32.600 -0.245 0.000 1.345 425 M HN 0.091 nan 8.290 nan 0.000 0.403 426 A N 0.582 123.307 122.820 -0.159 0.000 1.958 426 A HA -0.249 4.062 4.320 -0.016 0.000 0.221 426 A C 2.052 179.624 177.584 -0.021 0.000 1.178 426 A CA 2.533 54.524 52.037 -0.078 0.000 0.642 426 A CB -0.748 18.201 19.000 -0.084 0.000 0.816 426 A HN 0.674 nan 8.150 nan 0.000 0.453 427 E N -1.603 118.567 120.200 -0.050 0.000 2.102 427 E HA -0.041 4.299 4.350 -0.016 0.000 0.190 427 E C 1.716 178.397 176.600 0.135 0.000 0.971 427 E CA 0.640 57.052 56.400 0.021 0.000 0.821 427 E CB -0.490 29.205 29.700 -0.009 0.000 0.777 427 E HN 0.557 nan 8.360 nan 0.000 0.460 428 Y N 0.351 120.622 120.300 -0.048 0.000 2.181 428 Y HA -0.305 4.236 4.550 -0.015 0.000 0.284 428 Y C 2.576 178.401 175.900 -0.125 0.000 1.179 428 Y CA 0.950 59.000 58.100 -0.084 0.000 1.179 428 Y CB -1.217 37.195 38.460 -0.080 0.000 0.973 428 Y HN 0.244 nan 8.280 nan 0.000 0.519 429 C N -0.659 118.717 119.300 0.127 0.000 2.476 429 C HA -0.126 4.325 4.460 -0.016 0.000 0.278 429 C C 2.758 177.851 174.990 0.172 0.000 1.274 429 C CA 0.612 59.730 59.018 0.166 0.000 1.713 429 C CB -0.940 26.981 27.740 0.302 0.000 2.039 429 C HN 0.492 nan 8.230 nan 0.000 0.484 430 R N 1.533 122.114 120.500 0.136 0.000 2.081 430 R HA -0.133 4.198 4.340 -0.016 0.000 0.235 430 R C 2.393 178.745 176.300 0.086 0.000 1.131 430 R CA 1.997 58.169 56.100 0.120 0.000 0.960 430 R CB -0.470 29.881 30.300 0.084 0.000 0.856 430 R HN 0.706 nan 8.270 nan 0.000 0.436 431 S N 0.367 116.098 115.700 0.050 0.000 2.377 431 S HA -0.016 4.445 4.470 -0.016 0.000 0.223 431 S C 2.024 176.602 174.600 -0.037 0.000 1.030 431 S CA 0.621 58.833 58.200 0.020 0.000 0.970 431 S CB -0.192 63.029 63.200 0.034 0.000 0.830 431 S HN 0.195 nan 8.310 nan 0.000 0.473 432 I N -0.084 120.397 120.570 -0.148 0.000 2.333 432 I HA 0.039 4.200 4.170 -0.016 0.000 0.246 432 I C 1.578 177.580 176.117 -0.192 0.000 1.106 432 I CA 1.035 62.173 61.300 -0.271 0.000 1.411 432 I CB -0.255 37.424 38.000 -0.535 0.000 1.082 432 I HN 0.207 nan 8.210 nan 0.000 0.420 433 F N 1.136 121.138 119.950 0.087 0.000 2.789 433 F HA 0.289 4.806 4.527 -0.016 0.000 0.300 433 F C 1.901 177.753 175.800 0.088 0.000 1.132 433 F CA 0.183 58.243 58.000 0.099 0.000 1.404 433 F CB -1.295 37.775 39.000 0.116 0.000 1.114 433 F HN 0.124 nan 8.300 nan 0.000 0.584 434 G N 1.267 110.185 108.800 0.197 0.000 2.627 434 G HA2 -0.410 3.541 3.960 -0.016 0.000 0.312 434 G HA3 -0.410 3.541 3.960 -0.016 0.000 0.312 434 G C 0.694 175.679 174.900 0.142 0.000 1.299 434 G CA 0.914 46.096 45.100 0.138 0.000 0.989 434 G HN 0.293 nan 8.290 nan 0.000 0.547 435 D N 1.161 121.623 120.400 0.103 0.000 2.363 435 D HA 0.335 4.966 4.640 -0.016 0.000 0.226 435 D C 2.235 178.579 176.300 0.072 0.000 1.020 435 D CA 1.310 55.356 54.000 0.077 0.000 0.892 435 D CB -0.471 40.357 40.800 0.047 0.000 0.900 435 D HN 0.763 nan 8.370 nan 0.000 0.531 436 A N 0.230 123.112 122.820 0.103 0.000 2.119 436 A HA 0.039 4.349 4.320 -0.016 0.000 0.216 436 A C 1.139 178.778 177.584 0.092 0.000 1.152 436 A CA -0.037 52.049 52.037 0.081 0.000 0.708 436 A CB -0.280 18.803 19.000 0.139 0.000 0.805 436 A HN 0.240 nan 8.150 nan 0.000 0.460 437 L N 0.975 122.284 121.223 0.145 0.000 2.375 437 L HA 0.376 4.707 4.340 -0.016 0.000 0.276 437 L C -0.173 176.766 176.870 0.115 0.000 1.162 437 L CA -0.543 54.381 54.840 0.140 0.000 0.991 437 L CB 0.045 42.262 42.059 0.263 0.000 1.315 437 L HN 0.261 nan 8.230 nan 0.000 0.431 438 L N 5.743 127.022 121.223 0.093 0.000 2.698 438 L HA -0.019 4.311 4.340 -0.016 0.000 0.272 438 L C 1.276 178.212 176.870 0.109 0.000 1.154 438 L CA 0.807 55.709 54.840 0.104 0.000 0.964 438 L CB 0.088 42.220 42.059 0.121 0.000 1.272 438 L HN 0.710 nan 8.230 nan 0.000 0.483 439 I N 0.271 120.896 120.570 0.092 0.000 2.810 439 I HA 0.234 4.395 4.170 -0.016 0.000 0.262 439 I C 0.161 176.306 176.117 0.047 0.000 1.131 439 I CA 0.271 61.614 61.300 0.072 0.000 1.453 439 I CB -0.039 38.000 38.000 0.064 0.000 1.161 439 I HN 0.473 nan 8.210 nan 0.000 0.444 440 E N 2.280 122.511 120.200 0.053 0.000 2.210 440 E HA 0.452 4.792 4.350 -0.016 0.000 0.266 440 E C -2.416 174.221 176.600 0.063 0.000 0.883 440 E CA -2.228 54.190 56.400 0.030 0.000 0.761 440 E CB 1.726 31.443 29.700 0.028 0.000 1.156 440 E HN 0.035 nan 8.360 nan 0.000 0.412 441 P HA -0.121 nan 4.420 nan 0.000 0.267 441 P C -0.522 176.896 177.300 0.196 0.000 1.175 441 P CA 0.617 63.766 63.100 0.083 0.000 0.763 441 P CB 0.426 32.075 31.700 -0.085 0.000 0.795 442 L N 1.972 123.402 121.223 0.344 0.000 2.439 442 L HA 0.116 4.446 4.340 -0.016 0.000 0.261 442 L C 1.358 178.338 176.870 0.184 0.000 1.153 442 L CA -0.233 54.751 54.840 0.241 0.000 0.808 442 L CB 0.181 42.405 42.059 0.274 0.000 1.126 442 L HN 0.349 nan 8.230 nan 0.000 0.460 443 D N -0.125 120.336 120.400 0.103 0.000 2.149 443 D HA -0.191 4.440 4.640 -0.016 0.000 0.198 443 D C 1.765 178.068 176.300 0.005 0.000 0.990 443 D CA 1.412 55.439 54.000 0.045 0.000 0.839 443 D CB 0.057 40.868 40.800 0.019 0.000 0.948 443 D HN 0.463 nan 8.370 nan 0.000 0.460 444 K N -0.649 119.729 120.400 -0.036 0.000 2.305 444 K HA -0.002 4.309 4.320 -0.016 0.000 0.199 444 K C -0.331 176.000 176.600 -0.448 0.000 1.047 444 K CA 0.421 56.533 56.287 -0.291 0.000 0.976 444 K CB 0.305 32.524 32.500 -0.469 0.000 0.765 444 K HN 0.196 nan 8.250 nan 0.000 0.474 445 Y N 1.910 122.273 120.300 0.105 0.000 2.805 445 Y HA 0.317 4.858 4.550 -0.016 0.000 0.339 445 Y C -2.419 173.601 175.900 0.199 0.000 1.012 445 Y CA -2.892 55.309 58.100 0.168 0.000 1.262 445 Y CB 0.931 39.500 38.460 0.181 0.000 1.100 445 Y HN 0.028 nan 8.280 nan 0.000 0.559 446 P HA 0.134 nan 4.420 nan 0.000 0.278 446 P C 0.230 177.496 177.300 -0.057 0.000 1.238 446 P CA -0.351 62.773 63.100 0.040 0.000 0.794 446 P CB 1.759 33.466 31.700 0.011 0.000 0.955 447 L N 0.803 121.841 121.223 -0.309 0.000 2.933 447 L HA 0.115 4.445 4.340 -0.016 0.000 0.258 447 L C 1.264 177.808 176.870 -0.543 0.000 1.253 447 L CA -0.147 54.213 54.840 -0.801 0.000 1.096 447 L CB -1.183 40.234 42.059 -1.070 0.000 1.432 447 L HN 0.379 nan 8.230 nan 0.000 0.418 448 A N 0.860 123.637 122.820 -0.071 0.000 2.271 448 A HA 0.662 4.972 4.320 -0.016 0.000 0.288 448 A C -2.222 175.581 177.584 0.364 0.000 1.094 448 A CA -1.260 50.855 52.037 0.131 0.000 0.828 448 A CB 0.166 19.218 19.000 0.086 0.000 1.091 448 A HN 0.022 nan 8.150 nan 0.000 0.493 449 P HA 0.430 nan 4.420 nan 0.000 0.279 449 P C 0.808 178.205 177.300 0.161 0.000 1.252 449 P CA 1.055 64.294 63.100 0.233 0.000 0.811 449 P CB 1.298 33.081 31.700 0.139 0.000 1.035 450 G N 0.234 109.114 108.800 0.134 0.000 2.420 450 G HA2 -0.234 3.716 3.960 -0.016 0.000 0.221 450 G HA3 -0.234 3.716 3.960 -0.016 0.000 0.221 450 G C -0.070 174.913 174.900 0.138 0.000 1.117 450 G CA 0.142 45.309 45.100 0.110 0.000 0.657 450 G HN 0.566 nan 8.290 nan 0.000 0.512 451 V N 4.450 124.479 119.914 0.192 0.000 2.673 451 V HA 0.415 4.526 4.120 -0.016 0.000 0.303 451 V C -0.857 175.398 176.094 0.269 0.000 1.046 451 V CA -0.274 62.170 62.300 0.240 0.000 1.126 451 V CB 0.764 32.764 31.823 0.296 0.000 0.934 451 V HN 0.496 nan 8.190 nan 0.000 0.487 452 P HA 0.295 nan 4.420 nan 0.000 0.279 452 P C -0.533 176.900 177.300 0.222 0.000 1.252 452 P CA -0.820 62.414 63.100 0.223 0.000 0.811 452 P CB 0.971 32.787 31.700 0.193 0.000 1.035 453 L N 3.553 124.837 121.223 0.102 0.000 2.529 453 L HA 0.131 4.461 4.340 -0.016 0.000 0.287 453 L C -1.888 174.726 176.870 -0.427 0.000 1.241 453 L CA -0.936 53.866 54.840 -0.062 0.000 0.857 453 L CB -1.420 40.632 42.059 -0.012 0.000 1.113 453 L HN 0.357 nan 8.230 nan 0.000 0.504 454 P HA 0.141 nan 4.420 nan 0.000 0.273 454 P C -1.045 175.943 177.300 -0.519 0.000 1.250 454 P CA -0.494 61.897 63.100 -1.182 0.000 0.793 454 P CB 0.411 31.455 31.700 -1.093 0.000 1.011 455 S N 0.315 115.797 115.700 -0.363 0.000 2.601 455 S HA 0.300 4.760 4.470 -0.016 0.000 0.271 455 S C -1.860 172.599 174.600 -0.236 0.000 1.305 455 S CA -1.067 57.024 58.200 -0.181 0.000 1.022 455 S CB 0.389 63.550 63.200 -0.064 0.000 0.940 455 S HN 0.207 nan 8.310 nan 0.000 0.525 456 P HA -0.189 nan 4.420 nan 0.000 0.216 456 P C 1.672 178.881 177.300 -0.152 0.000 1.150 456 P CA 1.381 64.202 63.100 -0.465 0.000 0.843 456 P CB 0.033 31.073 31.700 -1.100 0.000 0.787 457 Q N 0.081 119.822 119.800 -0.098 0.000 2.045 457 Q HA -0.220 4.111 4.340 -0.016 0.000 0.206 457 Q C 1.684 177.685 176.000 0.001 0.000 0.991 457 Q CA 2.119 57.962 55.803 0.066 0.000 0.851 457 Q CB -0.848 27.909 28.738 0.031 0.000 0.911 457 Q HN 0.155 nan 8.270 nan 0.000 0.418 458 D N -0.507 119.867 120.400 -0.042 0.000 2.182 458 D HA -0.118 4.513 4.640 -0.016 0.000 0.201 458 D C 0.456 176.715 176.300 -0.068 0.000 0.986 458 D CA 0.757 54.735 54.000 -0.037 0.000 0.847 458 D CB 0.111 40.879 40.800 -0.053 0.000 0.942 458 D HN 0.231 nan 8.370 nan 0.000 0.467 459 L N 0.545 121.708 121.223 -0.099 0.000 2.912 459 L HA 0.258 4.588 4.340 -0.016 0.000 0.240 459 L C 0.307 177.124 176.870 -0.089 0.000 1.262 459 L CA -0.257 54.527 54.840 -0.094 0.000 1.058 459 L CB -0.676 41.316 42.059 -0.111 0.000 1.383 459 L HN -0.073 nan 8.230 nan 0.000 0.512 460 M N -0.324 119.207 119.600 -0.114 0.000 2.239 460 M HA 0.209 4.680 4.480 -0.016 0.000 0.348 460 M C 1.369 177.466 176.300 -0.338 0.000 1.239 460 M CA 0.781 55.951 55.300 -0.218 0.000 1.114 460 M CB 0.401 32.848 32.600 -0.255 0.000 1.641 460 M HN 0.501 nan 8.290 nan 0.000 0.453 461 G N 2.708 111.145 108.800 -0.605 0.000 2.341 461 G HA2 -0.239 3.711 3.960 -0.016 0.000 0.292 461 G HA3 -0.239 3.711 3.960 -0.016 0.000 0.292 461 G C -0.252 174.208 174.900 -0.732 0.000 1.021 461 G CA 0.048 44.385 45.100 -1.273 0.000 0.905 461 G HN 0.579 nan 8.290 nan 0.000 0.508 462 R N -0.588 119.756 120.500 -0.261 0.000 2.637 462 R HA 0.638 4.968 4.340 -0.016 0.000 0.291 462 R C 0.313 176.708 176.300 0.158 0.000 0.963 462 R CA -1.127 54.962 56.100 -0.019 0.000 0.901 462 R CB 1.358 31.648 30.300 -0.017 0.000 1.160 462 R HN 0.235 nan 8.270 nan 0.000 0.457 463 I N 4.192 124.812 120.570 0.083 0.000 2.354 463 I HA 0.329 4.490 4.170 -0.016 0.000 0.292 463 I C -0.290 175.818 176.117 -0.015 0.000 0.989 463 I CA -0.773 60.511 61.300 -0.026 0.000 1.188 463 I CB 1.363 39.172 38.000 -0.318 0.000 1.342 463 I HN 0.133 nan 8.210 nan 0.000 0.457 464 L N 7.013 128.234 121.223 -0.002 0.000 2.341 464 L HA 0.509 4.839 4.340 -0.016 0.000 0.278 464 L C -0.086 176.797 176.870 0.022 0.000 1.005 464 L CA -0.815 54.056 54.840 0.051 0.000 0.818 464 L CB 1.952 44.065 42.059 0.091 0.000 1.259 464 L HN 0.345 nan 8.230 nan 0.000 0.418 465 V N 1.296 121.264 119.914 0.090 0.000 2.472 465 V HA 0.546 4.656 4.120 -0.016 0.000 0.290 465 V C -0.146 176.037 176.094 0.148 0.000 1.037 465 V CA -0.762 61.621 62.300 0.139 0.000 0.908 465 V CB 1.838 33.877 31.823 0.359 0.000 0.985 465 V HN 0.872 nan 8.190 nan 0.000 0.454 466 K N 3.978 124.449 120.400 0.119 0.000 2.478 466 K HA 0.478 4.789 4.320 -0.016 0.000 0.236 466 K C -1.097 175.612 176.600 0.183 0.000 1.021 466 K CA -0.294 56.064 56.287 0.118 0.000 1.010 466 K CB 0.682 33.213 32.500 0.051 0.000 1.331 466 K HN 0.920 nan 8.250 nan 0.000 0.470 467 N N 2.090 120.900 118.700 0.184 0.000 2.525 467 N HA 0.253 4.984 4.740 -0.016 0.000 0.270 467 N C -1.521 174.029 175.510 0.067 0.000 1.321 467 N CA -0.652 52.480 53.050 0.136 0.000 0.797 467 N CB 1.602 40.167 38.487 0.131 0.000 1.529 467 N HN 0.291 nan 8.380 nan 0.000 0.491 468 K N 1.080 121.494 120.400 0.023 0.000 2.550 468 K HA -0.050 4.260 4.320 -0.016 0.000 0.280 468 K C -0.117 176.469 176.600 -0.022 0.000 0.987 468 K CA 0.695 56.984 56.287 0.003 0.000 1.048 468 K CB 0.370 32.856 32.500 -0.023 0.000 0.879 468 K HN 0.454 nan 8.250 nan 0.000 0.491 469 K N 2.895 123.274 120.400 -0.035 0.000 2.371 469 K HA 0.322 4.632 4.320 -0.016 0.000 0.251 469 K C -0.792 175.646 176.600 -0.270 0.000 0.934 469 K CA -0.949 55.259 56.287 -0.130 0.000 0.798 469 K CB 1.337 33.778 32.500 -0.098 0.000 1.204 469 K HN 0.297 nan 8.250 nan 0.000 0.427 470 R N 2.162 122.454 120.500 -0.347 0.000 2.668 470 R HA 0.432 4.763 4.340 -0.016 0.000 0.279 470 R C -0.703 175.265 176.300 -0.554 0.000 0.976 470 R CA -0.726 55.171 56.100 -0.338 0.000 0.978 470 R CB 1.326 31.539 30.300 -0.144 0.000 1.133 470 R HN 0.829 nan 8.270 nan 0.000 0.484 576 D N 2.000 122.443 120.400 0.071 0.000 2.349 576 D HA 0.101 4.731 4.640 -0.016 0.000 0.214 576 D C 1.175 177.551 176.300 0.126 0.000 1.063 576 D CA -0.023 54.033 54.000 0.094 0.000 0.847 576 D CB 0.290 41.132 40.800 0.069 0.000 0.933 576 D HN 0.706 nan 8.370 nan 0.000 0.513 577 E N 0.677 120.955 120.200 0.130 0.000 2.463 577 E HA 0.090 4.430 4.350 -0.016 0.000 0.201 577 E C 1.326 178.099 176.600 0.288 0.000 1.045 577 E CA 0.581 57.119 56.400 0.229 0.000 0.872 577 E CB -0.241 29.570 29.700 0.184 0.000 0.797 577 E HN 0.505 nan 8.360 nan 0.000 0.538 578 G N 1.145 110.075 108.800 0.215 0.000 2.525 578 G HA2 -0.390 3.560 3.960 -0.016 0.000 0.248 578 G HA3 -0.390 3.560 3.960 -0.016 0.000 0.248 578 G C 0.888 175.909 174.900 0.201 0.000 1.238 578 G CA 0.484 45.724 45.100 0.232 0.000 0.926 578 G HN 0.275 nan 8.290 nan 0.000 0.574 579 T N -1.001 113.700 114.554 0.245 0.000 3.163 579 T HA 0.420 4.760 4.350 -0.016 0.000 0.260 579 T C 2.295 177.128 174.700 0.221 0.000 1.156 579 T CA 1.815 64.055 62.100 0.235 0.000 1.072 579 T CB -0.109 68.985 68.868 0.376 0.000 0.937 579 T HN 1.901 nan 8.240 nan 0.000 0.528 580 A N 1.668 124.585 122.820 0.162 0.000 1.929 580 A HA 0.095 4.406 4.320 -0.016 0.000 0.216 580 A C 2.596 180.237 177.584 0.095 0.000 1.176 580 A CA 1.314 53.401 52.037 0.083 0.000 0.628 580 A CB -1.093 17.905 19.000 -0.003 0.000 0.816 580 A HN 0.503 nan 8.150 nan 0.000 0.444 581 S N 0.427 116.192 115.700 0.109 0.000 2.433 581 S HA -0.232 4.229 4.470 -0.016 0.000 0.276 581 S C 1.374 176.009 174.600 0.057 0.000 1.122 581 S CA 2.044 60.291 58.200 0.079 0.000 1.277 581 S CB -0.655 62.590 63.200 0.075 0.000 1.198 581 S HN 0.993 nan 8.310 nan 0.000 0.440 582 S N 1.130 116.864 115.700 0.056 0.000 2.790 582 S HA 0.464 4.925 4.470 -0.016 0.000 0.202 582 S C -0.725 173.924 174.600 0.081 0.000 1.383 582 S CA -0.636 57.586 58.200 0.037 0.000 1.026 582 S CB 0.679 63.883 63.200 0.006 0.000 1.253 582 S HN 0.397 nan 8.310 nan 0.000 0.489 583 E N 2.586 122.830 120.200 0.072 0.000 2.259 583 E HA 0.278 4.619 4.350 -0.016 0.000 0.281 583 E C 0.854 177.462 176.600 0.013 0.000 1.037 583 E CA -0.612 55.812 56.400 0.040 0.000 0.854 583 E CB 1.151 30.816 29.700 -0.058 0.000 1.051 583 E HN 0.658 nan 8.360 nan 0.000 0.409 584 V N 2.761 122.678 119.914 0.005 0.000 3.803 584 V HA -0.035 4.075 4.120 -0.016 0.000 0.300 584 V C 0.296 176.366 176.094 -0.040 0.000 1.111 584 V CA -0.394 61.893 62.300 -0.022 0.000 1.189 584 V CB 0.448 32.248 31.823 -0.039 0.000 1.118 584 V HN 0.700 nan 8.190 nan 0.000 0.486 585 N N 0.942 119.621 118.700 -0.036 0.000 2.530 585 N HA 0.523 5.254 4.740 -0.016 0.000 0.273 585 N C -0.010 175.467 175.510 -0.055 0.000 1.173 585 N CA 0.482 53.510 53.050 -0.037 0.000 0.967 585 N CB 0.975 39.446 38.487 -0.028 0.000 1.109 585 N HN 1.235 nan 8.380 nan 0.000 0.453 586 A N 1.853 124.640 122.820 -0.055 0.000 2.531 586 A HA 0.280 4.590 4.320 -0.016 0.000 0.236 586 A C 0.444 177.987 177.584 -0.069 0.000 1.062 586 A CA 0.083 52.078 52.037 -0.069 0.000 0.760 586 A CB -0.329 18.629 19.000 -0.070 0.000 0.995 586 A HN 0.746 nan 8.150 nan 0.000 0.501 587 T N -0.651 113.856 114.554 -0.078 0.000 2.870 587 T HA 0.464 4.805 4.350 -0.016 0.000 0.277 587 T C 0.787 175.442 174.700 -0.075 0.000 1.000 587 T CA -0.459 61.599 62.100 -0.070 0.000 0.982 587 T CB 1.103 69.930 68.868 -0.068 0.000 1.249 587 T HN 0.576 nan 8.240 nan 0.000 0.589 588 E N 0.177 120.337 120.200 -0.066 0.000 2.371 588 E HA -0.054 4.286 4.350 -0.016 0.000 0.194 588 E C 1.579 178.142 176.600 -0.060 0.000 1.012 588 E CA 0.601 56.963 56.400 -0.063 0.000 0.860 588 E CB 0.044 29.714 29.700 -0.049 0.000 0.811 588 E HN 0.690 nan 8.360 nan 0.000 0.502 589 E N -0.079 120.082 120.200 -0.065 0.000 2.047 589 E HA -0.080 4.260 4.350 -0.016 0.000 0.191 589 E C 1.829 178.389 176.600 -0.067 0.000 0.987 589 E CA 1.043 57.404 56.400 -0.065 0.000 0.799 589 E CB -0.043 29.610 29.700 -0.078 0.000 0.752 589 E HN 0.156 nan 8.360 nan 0.000 0.449 590 M N 0.628 120.176 119.600 -0.087 0.000 2.502 590 M HA 0.107 4.577 4.480 -0.016 0.000 0.243 590 M C 1.820 178.085 176.300 -0.058 0.000 1.130 590 M CA 0.698 55.943 55.300 -0.091 0.000 1.055 590 M CB -0.179 32.329 32.600 -0.153 0.000 1.457 590 M HN 0.139 nan 8.290 nan 0.000 0.488 591 S N -1.462 114.199 115.700 -0.065 0.000 2.470 591 S HA -0.052 4.408 4.470 -0.016 0.000 0.225 591 S C 1.804 176.374 174.600 -0.049 0.000 1.006 591 S CA 1.214 59.373 58.200 -0.068 0.000 0.934 591 S CB -0.580 62.553 63.200 -0.112 0.000 0.778 591 S HN 0.391 nan 8.310 nan 0.000 0.517 592 T N 1.091 115.623 114.554 -0.036 0.000 3.160 592 T HA 0.313 4.653 4.350 -0.016 0.000 0.257 592 T C 0.993 175.695 174.700 0.004 0.000 1.147 592 T CA 0.352 62.440 62.100 -0.020 0.000 1.064 592 T CB -0.491 68.366 68.868 -0.018 0.000 0.949 592 T HN 0.445 nan 8.240 nan 0.000 0.526 593 L N 0.682 121.916 121.223 0.019 0.000 2.693 593 L HA 0.382 4.712 4.340 -0.016 0.000 0.235 593 L C -0.239 176.674 176.870 0.072 0.000 1.127 593 L CA -0.198 54.675 54.840 0.056 0.000 0.914 593 L CB 0.885 42.993 42.059 0.082 0.000 1.193 593 L HN 0.016 nan 8.230 nan 0.000 0.502 594 V N 1.209 121.152 119.914 0.048 0.000 2.328 594 V HA 0.184 4.294 4.120 -0.016 0.000 0.278 594 V C -0.018 176.090 176.094 0.024 0.000 1.021 594 V CA -0.327 62.012 62.300 0.066 0.000 0.838 594 V CB 1.197 33.063 31.823 0.072 0.000 0.999 594 V HN 0.377 nan 8.190 nan 0.000 0.447 595 N N 3.432 122.137 118.700 0.009 0.000 2.724 595 N HA 0.082 4.812 4.740 -0.016 0.000 0.226 595 N C 0.984 176.357 175.510 -0.228 0.000 1.030 595 N CA 0.129 53.066 53.050 -0.188 0.000 1.038 595 N CB 0.059 38.380 38.487 -0.276 0.000 1.475 595 N HN 0.490 nan 8.380 nan 0.000 0.472 596 Y N 0.041 120.411 120.300 0.116 0.000 2.462 596 Y HA 0.501 5.042 4.550 -0.015 0.000 0.253 596 Y C 0.186 176.206 175.900 0.200 0.000 1.095 596 Y CA -0.323 57.881 58.100 0.172 0.000 1.283 596 Y CB 0.776 39.300 38.460 0.107 0.000 1.138 596 Y HN -0.036 nan 8.280 nan 0.000 0.522 597 I N 0.836 121.579 120.570 0.288 0.000 2.779 597 I HA 0.138 4.298 4.170 -0.016 0.000 0.294 597 I C -0.149 176.085 176.117 0.196 0.000 1.241 597 I CA -0.243 61.192 61.300 0.224 0.000 1.069 597 I CB 0.345 38.449 38.000 0.173 0.000 1.772 597 I HN -0.032 nan 8.210 nan 0.000 0.582 598 E N 6.274 126.611 120.200 0.229 0.000 2.129 598 E HA 0.245 4.586 4.350 -0.016 0.000 0.283 598 E C -2.382 174.325 176.600 0.178 0.000 1.080 598 E CA -1.615 54.912 56.400 0.212 0.000 0.867 598 E CB 1.305 31.187 29.700 0.304 0.000 1.056 598 E HN 0.133 nan 8.360 nan 0.000 0.404 599 P HA 0.116 nan 4.420 nan 0.000 0.293 599 P C -0.560 176.804 177.300 0.106 0.000 1.300 599 P CA -0.436 62.738 63.100 0.122 0.000 0.792 599 P CB 1.222 32.980 31.700 0.096 0.000 0.925 600 V N 1.052 121.029 119.914 0.105 0.000 2.914 600 V HA 0.586 4.697 4.120 -0.016 0.000 0.314 600 V C -0.087 176.044 176.094 0.062 0.000 1.084 600 V CA -1.485 60.866 62.300 0.085 0.000 0.963 600 V CB 1.964 33.841 31.823 0.090 0.000 1.025 600 V HN 0.537 nan 8.190 nan 0.000 0.432 601 K N 2.661 123.080 120.400 0.032 0.000 2.484 601 K HA 0.150 4.461 4.320 -0.016 0.000 0.280 601 K C -0.666 175.942 176.600 0.012 0.000 1.013 601 K CA -0.189 56.099 56.287 0.002 0.000 1.029 601 K CB 0.368 32.853 32.500 -0.024 0.000 0.902 601 K HN 0.708 nan 8.250 nan 0.000 0.481 602 F N 3.575 123.406 119.950 -0.199 0.000 2.484 602 F HA 0.124 4.641 4.527 -0.015 0.000 0.360 602 F C 0.664 176.330 175.800 -0.223 0.000 1.101 602 F CA -0.157 57.690 58.000 -0.254 0.000 1.251 602 F CB 1.043 39.774 39.000 -0.447 0.000 1.132 602 F HN 0.682 nan 8.300 nan 0.000 0.570 603 K N 2.317 122.176 120.400 -0.902 0.000 2.312 603 K HA 0.271 4.582 4.320 -0.016 0.000 0.230 603 K C -0.081 175.760 176.600 -1.266 0.000 1.048 603 K CA 0.546 56.346 56.287 -0.812 0.000 0.938 603 K CB 0.143 32.379 32.500 -0.441 0.000 1.139 603 K HN 0.679 nan 8.250 nan 0.000 0.461 604 S N -1.286 113.736 115.700 -1.129 0.000 2.671 604 S HA 0.296 4.756 4.470 -0.016 0.000 0.277 604 S C 0.383 174.703 174.600 -0.467 0.000 1.165 604 S CA -0.744 56.904 58.200 -0.920 0.000 0.822 604 S CB 0.288 63.247 63.200 -0.403 0.000 1.150 604 S HN 0.077 nan 8.310 nan 0.000 0.479 605 F N 1.357 121.322 119.950 0.025 0.000 2.186 605 F HA 0.088 4.606 4.527 -0.016 0.000 0.299 605 F C 2.549 178.397 175.800 0.079 0.000 1.090 605 F CA 1.563 59.639 58.000 0.126 0.000 1.307 605 F CB -0.830 38.243 39.000 0.121 0.000 1.019 605 F HN 0.708 nan 8.300 nan 0.000 0.489 606 E N 0.393 120.700 120.200 0.177 0.000 2.049 606 E HA -0.278 4.063 4.350 -0.016 0.000 0.198 606 E C 2.479 179.110 176.600 0.051 0.000 1.007 606 E CA 1.316 57.771 56.400 0.093 0.000 0.809 606 E CB -0.547 29.172 29.700 0.033 0.000 0.749 606 E HN 0.375 nan 8.360 nan 0.000 0.450 607 A N 1.738 124.546 122.820 -0.021 0.000 1.859 607 A HA -0.207 4.103 4.320 -0.016 0.000 0.217 607 A C 2.460 180.057 177.584 0.021 0.000 1.198 607 A CA 2.257 54.269 52.037 -0.043 0.000 0.629 607 A CB -0.880 18.038 19.000 -0.137 0.000 0.830 607 A HN 0.321 nan 8.150 nan 0.000 0.446 608 A N -0.871 121.995 122.820 0.077 0.000 1.969 608 A HA -0.118 4.193 4.320 -0.016 0.000 0.218 608 A C 2.227 179.917 177.584 0.177 0.000 1.169 608 A CA 1.729 53.865 52.037 0.166 0.000 0.635 608 A CB -0.462 18.732 19.000 0.323 0.000 0.810 608 A HN 0.587 nan 8.150 nan 0.000 0.445 609 R N -0.366 120.249 120.500 0.192 0.000 2.070 609 R HA -0.182 4.148 4.340 -0.016 0.000 0.232 609 R C 2.243 178.597 176.300 0.089 0.000 1.138 609 R CA 1.981 58.173 56.100 0.152 0.000 0.936 609 R CB -0.238 30.155 30.300 0.156 0.000 0.839 609 R HN 0.300 nan 8.270 nan 0.000 0.429 610 K N 0.794 121.234 120.400 0.068 0.000 2.063 610 K HA -0.178 4.133 4.320 -0.016 0.000 0.208 610 K C 2.102 178.722 176.600 0.033 0.000 1.048 610 K CA 1.878 58.190 56.287 0.042 0.000 0.928 610 K CB -0.294 32.223 32.500 0.029 0.000 0.713 610 K HN 0.143 nan 8.250 nan 0.000 0.442 611 R N 0.586 121.104 120.500 0.031 0.000 2.091 611 R HA -0.167 4.163 4.340 -0.016 0.000 0.238 611 R C 0.288 176.596 176.300 0.013 0.000 1.136 611 R CA 1.629 57.739 56.100 0.017 0.000 0.959 611 R CB -0.355 29.951 30.300 0.009 0.000 0.856 611 R HN 0.444 nan 8.270 nan 0.000 0.437 612 N N 0.049 118.765 118.700 0.027 0.000 2.738 612 N HA -0.167 4.563 4.740 -0.016 0.000 0.249 612 N C -1.730 173.762 175.510 -0.030 0.000 1.047 612 N CA 1.065 54.128 53.050 0.022 0.000 0.707 612 N CB -0.763 37.747 38.487 0.038 0.000 0.937 612 N HN 0.400 nan 8.380 nan 0.000 0.545 613 K N 0.443 120.762 120.400 -0.135 0.000 2.425 613 K HA 0.365 4.676 4.320 -0.016 0.000 0.259 613 K C 0.453 176.777 176.600 -0.461 0.000 0.978 613 K CA -0.647 55.364 56.287 -0.460 0.000 0.883 613 K CB 0.915 32.948 32.500 -0.778 0.000 1.110 613 K HN 0.202 nan 8.250 nan 0.000 0.436 614 C N 1.634 120.781 119.300 -0.257 0.000 2.448 614 C HA -0.053 4.398 4.460 -0.016 0.000 0.280 614 C C 1.889 176.920 174.990 0.069 0.000 1.398 614 C CA 0.035 59.047 59.018 -0.009 0.000 1.774 614 C CB -1.037 26.797 27.740 0.155 0.000 1.888 614 C HN 0.850 nan 8.230 nan 0.000 0.519 615 F N 0.983 121.028 119.950 0.158 0.000 2.780 615 F HA 0.256 4.774 4.527 -0.016 0.000 0.299 615 F C 0.695 176.588 175.800 0.154 0.000 1.146 615 F CA -0.239 57.863 58.000 0.171 0.000 1.428 615 F CB -0.994 38.076 39.000 0.117 0.000 1.115 615 F HN 0.164 nan 8.300 nan 0.000 0.583 616 E N 2.267 122.392 120.200 -0.125 0.000 2.146 616 E HA 0.433 4.774 4.350 -0.016 0.000 0.282 616 E C -0.365 176.318 176.600 0.138 0.000 0.989 616 E CA -0.630 55.776 56.400 0.010 0.000 0.799 616 E CB 1.273 30.916 29.700 -0.094 0.000 1.088 616 E HN 0.339 nan 8.360 nan 0.000 0.397 617 M N -0.098 119.620 119.600 0.196 0.000 2.727 617 M HA 0.662 5.132 4.480 -0.016 0.000 0.300 617 M C -0.807 175.642 176.300 0.248 0.000 1.246 617 M CA -0.573 54.890 55.300 0.271 0.000 0.835 617 M CB 2.061 34.805 32.600 0.241 0.000 1.755 617 M HN 0.077 nan 8.290 nan 0.000 0.473 618 S N -0.208 115.669 115.700 0.295 0.000 2.595 618 S HA 0.829 5.290 4.470 -0.016 0.000 0.281 618 S C -1.142 173.610 174.600 0.254 0.000 1.117 618 S CA -0.974 57.336 58.200 0.183 0.000 0.873 618 S CB 2.019 65.254 63.200 0.059 0.000 1.108 618 S HN 0.752 nan 8.310 nan 0.000 0.477 619 S N 0.878 116.660 115.700 0.137 0.000 2.537 619 S HA 0.772 5.232 4.470 -0.016 0.000 0.301 619 S C -1.468 173.203 174.600 0.119 0.000 1.092 619 S CA -0.535 57.844 58.200 0.299 0.000 1.048 619 S CB 0.397 63.788 63.200 0.320 0.000 1.053 619 S HN 0.502 nan 8.310 nan 0.000 0.501 620 F N 1.038 120.982 119.950 -0.009 0.000 2.553 620 F HA 0.352 4.869 4.527 -0.016 0.000 0.335 620 F C 0.271 175.609 175.800 -0.771 0.000 1.148 620 F CA -0.863 56.962 58.000 -0.291 0.000 0.963 620 F CB 0.981 39.806 39.000 -0.292 0.000 1.217 620 F HN 0.307 nan 8.300 nan 0.000 0.441 621 V N 3.962 123.275 119.914 -1.002 0.000 3.083 621 V HA -0.123 3.987 4.120 -0.016 0.000 0.303 621 V C 1.635 177.379 176.094 -0.583 0.000 1.151 621 V CA 0.850 62.456 62.300 -1.157 0.000 1.275 621 V CB 1.070 32.513 31.823 -0.635 0.000 0.950 621 V HN 0.990 nan 8.190 nan 0.000 0.506 622 E N 2.129 121.987 120.200 -0.569 0.000 2.108 622 E HA -0.281 4.059 4.350 -0.016 0.000 0.203 622 E C 1.688 178.160 176.600 -0.214 0.000 1.022 622 E CA 2.419 58.525 56.400 -0.491 0.000 0.823 622 E CB -0.090 29.358 29.700 -0.419 0.000 0.744 622 E HN 1.037 nan 8.360 nan 0.000 0.456 623 T N -1.031 113.436 114.554 -0.145 0.000 2.851 623 T HA -0.031 4.310 4.350 -0.016 0.000 0.262 623 T C 1.868 176.561 174.700 -0.012 0.000 1.043 623 T CA 0.986 63.060 62.100 -0.044 0.000 1.140 623 T CB -0.211 68.638 68.868 -0.031 0.000 0.872 623 T HN 0.087 nan 8.240 nan 0.000 0.446 624 K N 1.567 121.943 120.400 -0.039 0.000 2.044 624 K HA -0.094 4.217 4.320 -0.016 0.000 0.210 624 K C 2.628 179.303 176.600 0.125 0.000 1.049 624 K CA 1.483 57.789 56.287 0.032 0.000 0.927 624 K CB -0.585 31.905 32.500 -0.017 0.000 0.713 624 K HN 0.385 nan 8.250 nan 0.000 0.443 625 A N 0.596 123.452 122.820 0.059 0.000 1.908 625 A HA -0.219 4.091 4.320 -0.016 0.000 0.218 625 A C 2.058 179.779 177.584 0.228 0.000 1.181 625 A CA 1.923 53.965 52.037 0.008 0.000 0.627 625 A CB -0.508 18.204 19.000 -0.480 0.000 0.818 625 A HN 0.446 nan 8.150 nan 0.000 0.445 626 M N -0.087 119.639 119.600 0.211 0.000 2.229 626 M HA -0.053 4.418 4.480 -0.016 0.000 0.264 626 M C 1.687 178.087 176.300 0.167 0.000 1.063 626 M CA 1.664 57.103 55.300 0.232 0.000 1.114 626 M CB -0.545 32.141 32.600 0.144 0.000 1.387 626 M HN 0.529 nan 8.290 nan 0.000 0.420 627 E N -0.384 119.890 120.200 0.123 0.000 2.012 627 E HA -0.245 4.095 4.350 -0.016 0.000 0.197 627 E C 2.006 178.681 176.600 0.126 0.000 1.007 627 E CA 1.619 58.079 56.400 0.099 0.000 0.816 627 E CB -0.162 29.580 29.700 0.071 0.000 0.762 627 E HN 0.548 nan 8.360 nan 0.000 0.451 628 Q N 0.421 120.298 119.800 0.129 0.000 2.112 628 Q HA -0.210 4.120 4.340 -0.016 0.000 0.206 628 Q C 2.395 178.559 176.000 0.273 0.000 0.987 628 Q CA 1.001 56.884 55.803 0.132 0.000 0.858 628 Q CB -0.740 27.923 28.738 -0.124 0.000 0.905 628 Q HN 0.269 nan 8.270 nan 0.000 0.420 629 L N 1.254 122.696 121.223 0.365 0.000 1.971 629 L HA -0.215 4.115 4.340 -0.016 0.000 0.215 629 L C 2.354 179.415 176.870 0.317 0.000 1.072 629 L CA 2.980 58.058 54.840 0.398 0.000 0.758 629 L CB -1.446 40.819 42.059 0.343 0.000 0.889 629 L HN 0.416 nan 8.230 nan 0.000 0.433 630 T N -3.141 111.546 114.554 0.222 0.000 2.701 630 T HA -0.139 4.202 4.350 -0.016 0.000 0.263 630 T C 1.960 176.692 174.700 0.053 0.000 1.040 630 T CA 1.159 63.328 62.100 0.116 0.000 1.147 630 T CB -0.443 68.462 68.868 0.062 0.000 0.865 630 T HN 0.237 nan 8.240 nan 0.000 0.426 631 K N 2.261 122.711 120.400 0.084 0.000 1.984 631 K HA 0.044 4.354 4.320 -0.016 0.000 0.209 631 K C 1.617 178.270 176.600 0.089 0.000 1.046 631 K CA 1.550 57.876 56.287 0.064 0.000 0.934 631 K CB -0.543 32.000 32.500 0.072 0.000 0.717 631 K HN 0.625 nan 8.250 nan 0.000 0.438 632 S N 0.797 116.592 115.700 0.159 0.000 2.062 632 S HA 0.260 4.720 4.470 -0.016 0.000 0.163 632 S C -2.155 172.551 174.600 0.177 0.000 1.612 632 S CA -1.184 57.122 58.200 0.177 0.000 1.251 632 S CB 1.482 64.846 63.200 0.273 0.000 1.174 632 S HN -0.079 nan 8.310 nan 0.000 0.428 633 P HA -0.073 nan 4.420 nan 0.000 0.214 633 P C 1.512 178.857 177.300 0.074 0.000 1.162 633 P CA 0.994 64.223 63.100 0.215 0.000 0.874 633 P CB 0.062 31.960 31.700 0.330 0.000 0.784 634 M N -0.493 119.120 119.600 0.022 0.000 2.108 634 M HA -0.187 4.284 4.480 -0.016 0.000 0.261 634 M C 2.056 178.287 176.300 -0.115 0.000 1.066 634 M CA 1.914 57.175 55.300 -0.064 0.000 1.107 634 M CB -0.838 31.736 32.600 -0.044 0.000 1.356 634 M HN -0.141 nan 8.290 nan 0.000 0.406 635 E N -0.026 120.091 120.200 -0.140 0.000 2.097 635 E HA -0.213 4.128 4.350 -0.016 0.000 0.196 635 E C 1.683 177.853 176.600 -0.717 0.000 1.000 635 E CA 1.393 57.611 56.400 -0.303 0.000 0.804 635 E CB -0.445 29.149 29.700 -0.175 0.000 0.740 635 E HN 0.349 nan 8.360 nan 0.000 0.454 636 F N 0.623 119.992 119.950 -0.968 0.000 2.084 636 F HA -0.150 4.368 4.527 -0.015 0.000 0.296 636 F C 2.187 177.806 175.800 -0.302 0.000 1.111 636 F CA 0.546 58.045 58.000 -0.836 0.000 1.224 636 F CB -0.770 38.020 39.000 -0.350 0.000 0.991 636 F HN -0.143 nan 8.300 nan 0.000 0.471 637 V N 0.365 120.249 119.914 -0.052 0.000 2.250 637 V HA -0.337 3.773 4.120 -0.016 0.000 0.250 637 V C 2.518 178.561 176.094 -0.084 0.000 1.060 637 V CA 2.389 64.615 62.300 -0.123 0.000 1.030 637 V CB -0.717 30.979 31.823 -0.212 0.000 0.643 637 V HN 0.358 nan 8.190 nan 0.000 0.445 638 E N -0.954 119.195 120.200 -0.086 0.000 2.150 638 E HA -0.255 4.086 4.350 -0.016 0.000 0.193 638 E C 2.155 178.761 176.600 0.009 0.000 0.985 638 E CA 1.420 57.789 56.400 -0.053 0.000 0.814 638 E CB -0.170 29.501 29.700 -0.049 0.000 0.752 638 E HN 0.753 nan 8.360 nan 0.000 0.466 639 Y N 1.905 122.167 120.300 -0.063 0.000 2.181 639 Y HA -0.167 4.374 4.550 -0.016 0.000 0.288 639 Y C 1.769 177.724 175.900 0.092 0.000 1.146 639 Y CA 1.883 60.030 58.100 0.078 0.000 1.164 639 Y CB -0.330 38.258 38.460 0.213 0.000 0.982 639 Y HN 0.033 nan 8.280 nan 0.000 0.515 640 N N 0.483 119.114 118.700 -0.115 0.000 2.494 640 N HA -0.081 4.650 4.740 -0.016 0.000 0.182 640 N C 1.464 176.848 175.510 -0.210 0.000 1.076 640 N CA 0.731 53.650 53.050 -0.218 0.000 0.908 640 N CB -0.083 38.349 38.487 -0.092 0.000 0.967 640 N HN 0.518 nan 8.380 nan 0.000 0.449 641 K N 0.675 120.976 120.400 -0.164 0.000 2.026 641 K HA -0.107 4.204 4.320 -0.016 0.000 0.208 641 K C 1.288 177.814 176.600 -0.123 0.000 1.048 641 K CA 1.215 57.426 56.287 -0.128 0.000 0.929 641 K CB 0.032 32.480 32.500 -0.087 0.000 0.713 641 K HN 0.200 nan 8.250 nan 0.000 0.439 642 Q N -0.502 119.209 119.800 -0.148 0.000 2.281 642 Q HA 0.135 4.465 4.340 -0.016 0.000 0.215 642 Q C -0.227 175.680 176.000 -0.155 0.000 0.867 642 Q CA 0.080 55.820 55.803 -0.105 0.000 0.940 642 Q CB 1.211 29.920 28.738 -0.049 0.000 1.111 642 Q HN 0.185 nan 8.270 nan 0.000 0.513 643 Q N 0.097 119.688 119.800 -0.349 0.000 2.421 643 Q HA 0.478 4.809 4.340 -0.016 0.000 0.280 643 Q C -1.248 174.567 176.000 -0.309 0.000 1.085 643 Q CA -0.657 54.921 55.803 -0.375 0.000 0.807 643 Q CB 2.346 30.736 28.738 -0.579 0.000 1.405 643 Q HN 0.113 nan 8.270 nan 0.000 0.419 644 L N 1.712 122.924 121.223 -0.019 0.000 2.305 644 L HA 0.441 4.771 4.340 -0.016 0.000 0.281 644 L C -0.139 176.900 176.870 0.282 0.000 1.085 644 L CA -0.410 54.493 54.840 0.106 0.000 0.813 644 L CB 1.016 43.156 42.059 0.134 0.000 1.157 644 L HN 0.625 nan 8.230 nan 0.000 0.436 645 S N 3.033 118.911 115.700 0.297 0.000 2.473 645 S HA 0.642 5.102 4.470 -0.016 0.000 0.307 645 S C -0.602 174.143 174.600 0.242 0.000 1.094 645 S CA -1.007 57.414 58.200 0.368 0.000 1.070 645 S CB 2.313 65.749 63.200 0.394 0.000 1.019 645 S HN 0.651 nan 8.310 nan 0.000 0.480 646 R N 1.938 122.608 120.500 0.282 0.000 2.532 646 R HA 0.732 5.063 4.340 -0.016 0.000 0.295 646 R C -1.355 175.074 176.300 0.215 0.000 0.968 646 R CA -0.717 55.522 56.100 0.231 0.000 0.916 646 R CB 0.735 31.175 30.300 0.232 0.000 1.124 646 R HN 0.786 nan 8.270 nan 0.000 0.463 647 I N 4.250 124.888 120.570 0.113 0.000 2.530 647 I HA 0.380 4.541 4.170 -0.016 0.000 0.297 647 I C -1.008 175.207 176.117 0.164 0.000 1.011 647 I CA -0.890 60.380 61.300 -0.050 0.000 1.107 647 I CB 1.642 39.356 38.000 -0.476 0.000 1.285 647 I HN 0.582 nan 8.210 nan 0.000 0.436 648 Y N 3.667 123.924 120.300 -0.071 0.000 2.602 648 Y HA 0.834 5.375 4.550 -0.016 0.000 0.342 648 Y C -3.022 172.792 175.900 -0.144 0.000 1.029 648 Y CA -3.863 54.191 58.100 -0.076 0.000 1.080 648 Y CB -0.091 38.330 38.460 -0.065 0.000 1.284 648 Y HN 0.237 nan 8.280 nan 0.000 0.485 649 P HA 0.212 nan 4.420 nan 0.000 0.275 649 P C -1.228 176.046 177.300 -0.043 0.000 1.266 649 P CA -0.725 62.379 63.100 0.006 0.000 0.793 649 P CB 0.708 32.429 31.700 0.034 0.000 1.074 650 K N -0.761 119.641 120.400 0.002 0.000 2.098 650 K HA 0.494 4.804 4.320 -0.016 0.000 0.258 650 K C 1.417 178.079 176.600 0.103 0.000 0.973 650 K CA -0.635 55.673 56.287 0.035 0.000 0.898 650 K CB 0.316 32.820 32.500 0.006 0.000 1.057 650 K HN 0.425 nan 8.250 nan 0.000 0.447 651 G N 1.411 110.293 108.800 0.138 0.000 2.507 651 G HA2 -0.293 3.657 3.960 -0.016 0.000 0.221 651 G HA3 -0.293 3.657 3.960 -0.016 0.000 0.221 651 G C 1.146 176.124 174.900 0.130 0.000 1.119 651 G CA 1.417 46.615 45.100 0.163 0.000 0.751 651 G HN 0.773 nan 8.290 nan 0.000 0.574 652 T N 0.506 115.117 114.554 0.096 0.000 2.751 652 T HA -0.156 4.184 4.350 -0.016 0.000 0.268 652 T C 1.670 176.421 174.700 0.086 0.000 1.045 652 T CA 1.115 63.263 62.100 0.080 0.000 1.142 652 T CB -0.146 68.759 68.868 0.062 0.000 0.851 652 T HN 0.364 nan 8.240 nan 0.000 0.474 653 R N 1.796 122.353 120.500 0.096 0.000 4.518 653 R HA 0.218 4.548 4.340 -0.016 0.000 0.243 653 R C 1.659 178.021 176.300 0.104 0.000 1.720 653 R CA -0.227 55.928 56.100 0.092 0.000 1.526 653 R CB -0.029 30.327 30.300 0.093 0.000 1.425 653 R HN 0.305 nan 8.270 nan 0.000 0.787 654 V N -3.007 116.972 119.914 0.107 0.000 2.759 654 V HA -0.159 3.952 4.120 -0.016 0.000 0.256 654 V C 1.210 177.360 176.094 0.094 0.000 1.080 654 V CA 1.394 63.766 62.300 0.120 0.000 1.101 654 V CB -0.118 31.780 31.823 0.124 0.000 0.698 654 V HN 0.267 nan 8.190 nan 0.000 0.477 655 D N 0.433 120.878 120.400 0.076 0.000 2.392 655 D HA 0.044 4.675 4.640 -0.016 0.000 0.228 655 D C 1.380 177.713 176.300 0.055 0.000 1.003 655 D CA 1.133 55.169 54.000 0.061 0.000 0.917 655 D CB 0.072 40.903 40.800 0.051 0.000 0.890 655 D HN 0.614 nan 8.370 nan 0.000 0.532 656 S N -1.033 114.705 115.700 0.064 0.000 3.490 656 S HA -0.194 4.267 4.470 -0.016 0.000 0.301 656 S C 0.599 175.229 174.600 0.050 0.000 1.233 656 S CA 0.561 58.797 58.200 0.060 0.000 0.914 656 S CB -1.846 61.378 63.200 0.040 0.000 1.047 656 S HN 0.493 nan 8.310 nan 0.000 0.602 657 S N 1.474 117.202 115.700 0.046 0.000 2.596 657 S HA 0.471 4.932 4.470 -0.016 0.000 0.260 657 S C 0.012 174.624 174.600 0.020 0.000 1.336 657 S CA -0.545 57.673 58.200 0.029 0.000 0.993 657 S CB 0.542 63.762 63.200 0.033 0.000 0.923 657 S HN 0.429 nan 8.310 nan 0.000 0.567 658 N N 0.601 119.288 118.700 -0.021 0.000 2.314 658 N HA 0.345 5.075 4.740 -0.016 0.000 0.304 658 N C -1.068 174.395 175.510 -0.078 0.000 1.073 658 N CA -0.451 52.533 53.050 -0.109 0.000 0.822 658 N CB 1.592 39.967 38.487 -0.187 0.000 1.280 658 N HN 0.796 nan 8.380 nan 0.000 0.489 659 Y N -0.486 119.815 120.300 0.002 0.000 2.300 659 Y HA 0.443 4.984 4.550 -0.015 0.000 0.328 659 Y C 0.613 176.490 175.900 -0.038 0.000 1.270 659 Y CA -1.248 56.853 58.100 0.003 0.000 1.352 659 Y CB 0.459 38.955 38.460 0.061 0.000 1.286 659 Y HN 0.364 nan 8.280 nan 0.000 0.536 660 M N 6.282 125.923 119.600 0.068 0.000 2.266 660 M HA 0.264 4.735 4.480 -0.016 0.000 0.340 660 M C -2.071 174.144 176.300 -0.141 0.000 1.486 660 M CA -2.927 52.334 55.300 -0.063 0.000 1.209 660 M CB 0.368 32.955 32.600 -0.021 0.000 1.714 660 M HN 0.560 nan 8.290 nan 0.000 0.459 661 P HA -0.170 nan 4.420 nan 0.000 0.228 661 P C 0.728 177.472 177.300 -0.926 0.000 1.151 661 P CA 0.873 63.596 63.100 -0.627 0.000 0.770 661 P CB 0.126 31.172 31.700 -1.091 0.000 0.786 662 Q N 0.510 119.977 119.800 -0.556 0.000 2.234 662 Q HA -0.118 4.212 4.340 -0.016 0.000 0.206 662 Q C 2.132 177.968 176.000 -0.274 0.000 0.980 662 Q CA 1.262 56.923 55.803 -0.235 0.000 0.869 662 Q CB -1.222 27.536 28.738 0.033 0.000 0.912 662 Q HN 0.234 nan 8.270 nan 0.000 0.436 663 L N -1.194 119.746 121.223 -0.473 0.000 2.079 663 L HA -0.155 4.175 4.340 -0.016 0.000 0.210 663 L C 1.520 177.991 176.870 -0.664 0.000 1.081 663 L CA 1.138 55.574 54.840 -0.674 0.000 0.752 663 L CB -0.405 41.010 42.059 -1.074 0.000 0.896 663 L HN 0.230 nan 8.230 nan 0.000 0.433 664 F N -2.779 117.065 119.950 -0.177 0.000 2.582 664 F HA 0.037 4.555 4.527 -0.016 0.000 0.290 664 F C 1.980 177.756 175.800 -0.040 0.000 1.115 664 F CA -0.354 57.541 58.000 -0.176 0.000 1.445 664 F CB -0.634 38.251 39.000 -0.190 0.000 1.126 664 F HN 0.020 nan 8.300 nan 0.000 0.574 665 W N 1.309 122.626 121.300 0.028 0.000 2.388 665 W HA -0.101 4.550 4.660 -0.015 0.000 0.294 665 W C 1.747 178.283 176.519 0.029 0.000 1.212 665 W CA 0.752 58.071 57.345 -0.043 0.000 1.271 665 W CB -1.408 27.690 29.460 -0.603 0.000 1.126 665 W HN 0.049 nan 8.180 nan 0.000 0.535 666 N N 0.433 119.211 118.700 0.129 0.000 2.334 666 N HA -0.131 4.600 4.740 -0.016 0.000 0.187 666 N C 1.431 176.933 175.510 -0.013 0.000 1.016 666 N CA 1.876 54.944 53.050 0.030 0.000 0.879 666 N CB -0.504 37.917 38.487 -0.110 0.000 0.965 666 N HN 0.204 nan 8.380 nan 0.000 0.438 667 V N -4.808 115.083 119.914 -0.038 0.000 3.319 667 V HA 0.585 4.695 4.120 -0.016 0.000 0.317 667 V C 1.183 177.149 176.094 -0.214 0.000 1.411 667 V CA 0.120 62.319 62.300 -0.169 0.000 1.112 667 V CB 0.105 31.760 31.823 -0.279 0.000 1.031 667 V HN 0.186 nan 8.190 nan 0.000 0.448 668 G N -0.269 108.544 108.800 0.022 0.000 2.157 668 G HA2 -0.246 3.705 3.960 -0.016 0.000 0.239 668 G HA3 -0.246 3.705 3.960 -0.016 0.000 0.239 668 G C 0.214 175.140 174.900 0.044 0.000 0.982 668 G CA -0.131 44.978 45.100 0.016 0.000 0.650 668 G HN 0.639 nan 8.290 nan 0.000 0.527 669 C N 1.096 120.473 119.300 0.127 0.000 2.648 669 C HA 0.437 4.888 4.460 -0.016 0.000 0.415 669 C C 1.879 177.138 174.990 0.450 0.000 1.366 669 C CA 0.403 59.516 59.018 0.158 0.000 1.756 669 C CB 0.790 28.569 27.740 0.065 0.000 2.549 669 C HN 0.688 nan 8.230 nan 0.000 0.597 670 Q N 1.958 121.929 119.800 0.286 0.000 2.084 670 Q HA 0.175 4.506 4.340 -0.016 0.000 0.194 670 Q C 0.440 176.649 176.000 0.348 0.000 0.969 670 Q CA 0.956 56.946 55.803 0.310 0.000 0.829 670 Q CB -0.073 28.752 28.738 0.144 0.000 0.904 670 Q HN 0.733 nan 8.270 nan 0.000 0.464 671 L N 1.875 123.243 121.223 0.242 0.000 2.536 671 L HA 0.201 4.531 4.340 -0.016 0.000 0.242 671 L C -0.710 176.291 176.870 0.219 0.000 1.280 671 L CA -0.465 54.493 54.840 0.197 0.000 1.221 671 L CB 0.388 42.533 42.059 0.144 0.000 1.449 671 L HN 0.004 nan 8.230 nan 0.000 0.405 672 V N 2.046 122.140 119.914 0.300 0.000 2.052 672 V HA 0.190 4.300 4.120 -0.016 0.000 0.281 672 V C 1.271 177.497 176.094 0.221 0.000 1.668 672 V CA -0.438 62.009 62.300 0.246 0.000 1.621 672 V CB -0.169 31.773 31.823 0.199 0.000 1.488 672 V HN 0.659 nan 8.190 nan 0.000 0.513 673 A N 3.945 126.890 122.820 0.209 0.000 2.587 673 A HA 0.403 4.714 4.320 -0.016 0.000 0.235 673 A C -0.144 177.517 177.584 0.129 0.000 1.044 673 A CA 0.711 52.850 52.037 0.169 0.000 0.754 673 A CB 0.089 19.202 19.000 0.187 0.000 0.968 673 A HN 0.669 nan 8.150 nan 0.000 0.509 674 L N 1.591 122.877 121.223 0.105 0.000 2.359 674 L HA 0.374 4.704 4.340 -0.016 0.000 0.256 674 L C -0.234 176.740 176.870 0.174 0.000 1.026 674 L CA -1.086 53.782 54.840 0.047 0.000 0.828 674 L CB 1.760 43.816 42.059 -0.004 0.000 1.406 674 L HN 0.619 nan 8.230 nan 0.000 0.413 675 N N 1.111 119.889 118.700 0.130 0.000 2.555 675 N HA 0.126 4.856 4.740 -0.016 0.000 0.244 675 N C 0.537 176.181 175.510 0.225 0.000 1.114 675 N CA -0.055 53.080 53.050 0.142 0.000 0.963 675 N CB 0.514 39.057 38.487 0.093 0.000 1.276 675 N HN 0.434 nan 8.380 nan 0.000 0.510 676 F N 1.360 121.287 119.950 -0.038 0.000 2.250 676 F HA -0.148 4.369 4.527 -0.016 0.000 0.301 676 F C 2.435 178.264 175.800 0.047 0.000 1.077 676 F CA 0.951 58.961 58.000 0.017 0.000 1.348 676 F CB -0.206 38.821 39.000 0.045 0.000 1.040 676 F HN 0.512 nan 8.300 nan 0.000 0.509 677 Q N 0.330 120.242 119.800 0.186 0.000 2.515 677 Q HA -0.019 4.311 4.340 -0.016 0.000 0.214 677 Q C -0.562 175.477 176.000 0.064 0.000 0.971 677 Q CA 0.757 56.620 55.803 0.099 0.000 0.952 677 Q CB -0.809 27.957 28.738 0.047 0.000 0.999 677 Q HN 0.252 nan 8.270 nan 0.000 0.524 678 T N 1.493 116.083 114.554 0.059 0.000 2.949 678 T HA 0.466 4.806 4.350 -0.016 0.000 0.300 678 T C -0.670 174.025 174.700 -0.009 0.000 0.988 678 T CA -0.590 61.522 62.100 0.020 0.000 0.993 678 T CB 1.106 69.984 68.868 0.016 0.000 0.984 678 T HN 0.028 nan 8.240 nan 0.000 0.442 679 L N 4.068 125.272 121.223 -0.032 0.000 2.956 679 L HA 0.316 4.647 4.340 -0.016 0.000 0.232 679 L C 0.476 177.274 176.870 -0.119 0.000 1.291 679 L CA -0.673 54.125 54.840 -0.071 0.000 1.122 679 L CB -0.857 41.166 42.059 -0.061 0.000 1.461 679 L HN 0.671 nan 8.230 nan 0.000 0.470 680 D N -1.988 118.355 120.400 -0.095 0.000 2.384 680 D HA 0.094 4.724 4.640 -0.016 0.000 0.244 680 D C 1.363 177.587 176.300 -0.125 0.000 1.251 680 D CA -0.644 53.298 54.000 -0.097 0.000 0.961 680 D CB 0.920 41.684 40.800 -0.060 0.000 1.116 680 D HN -0.087 nan 8.370 nan 0.000 0.484 681 V N 0.252 120.107 119.914 -0.099 0.000 2.546 681 V HA -0.271 3.840 4.120 -0.016 0.000 0.254 681 V C 2.361 178.377 176.094 -0.129 0.000 1.076 681 V CA 2.191 64.426 62.300 -0.107 0.000 1.087 681 V CB -1.311 30.510 31.823 -0.003 0.000 0.674 681 V HN 0.746 nan 8.190 nan 0.000 0.470 682 A N -0.203 122.554 122.820 -0.107 0.000 1.845 682 A HA -0.286 4.024 4.320 -0.016 0.000 0.215 682 A C 2.177 179.663 177.584 -0.164 0.000 1.195 682 A CA 2.511 54.462 52.037 -0.143 0.000 0.616 682 A CB -0.532 18.370 19.000 -0.164 0.000 0.832 682 A HN 0.465 nan 8.150 nan 0.000 0.443 683 M N -0.144 119.364 119.600 -0.153 0.000 2.175 683 M HA -0.131 4.340 4.480 -0.016 0.000 0.264 683 M C 2.108 178.313 176.300 -0.159 0.000 1.063 683 M CA 1.736 56.935 55.300 -0.169 0.000 1.119 683 M CB -0.545 31.965 32.600 -0.149 0.000 1.377 683 M HN 0.532 nan 8.290 nan 0.000 0.415 684 Q N -0.603 119.111 119.800 -0.143 0.000 2.181 684 Q HA -0.197 4.133 4.340 -0.016 0.000 0.205 684 Q C 1.975 177.935 176.000 -0.065 0.000 0.980 684 Q CA 1.556 57.294 55.803 -0.109 0.000 0.862 684 Q CB -0.499 28.072 28.738 -0.277 0.000 0.905 684 Q HN 0.463 nan 8.270 nan 0.000 0.429 685 L N 0.814 121.952 121.223 -0.142 0.000 2.109 685 L HA -0.110 4.221 4.340 -0.016 0.000 0.207 685 L C 1.811 178.667 176.870 -0.022 0.000 1.086 685 L CA 1.680 56.427 54.840 -0.155 0.000 0.760 685 L CB -0.478 41.393 42.059 -0.314 0.000 0.910 685 L HN 0.119 nan 8.230 nan 0.000 0.437 686 N N -0.310 118.388 118.700 -0.003 0.000 2.058 686 N HA -0.179 4.552 4.740 -0.016 0.000 0.191 686 N C 1.868 177.382 175.510 0.007 0.000 1.037 686 N CA 1.801 54.919 53.050 0.113 0.000 0.848 686 N CB -0.270 38.214 38.487 -0.005 0.000 1.021 686 N HN 0.440 nan 8.380 nan 0.000 0.422 687 A N -0.137 122.531 122.820 -0.252 0.000 1.902 687 A HA -0.003 4.307 4.320 -0.016 0.000 0.217 687 A C 2.323 179.834 177.584 -0.121 0.000 1.181 687 A CA 1.926 53.718 52.037 -0.408 0.000 0.623 687 A CB -1.617 17.099 19.000 -0.474 0.000 0.818 687 A HN 0.473 nan 8.150 nan 0.000 0.443 688 G N 0.029 108.817 108.800 -0.021 0.000 2.631 688 G HA2 -0.329 3.622 3.960 -0.016 0.000 0.219 688 G HA3 -0.329 3.622 3.960 -0.016 0.000 0.219 688 G C 1.663 176.606 174.900 0.071 0.000 1.214 688 G CA 2.863 47.984 45.100 0.035 0.000 0.785 688 G HN 1.218 nan 8.290 nan 0.000 0.596 689 V N -3.221 116.696 119.914 0.005 0.000 2.871 689 V HA 0.223 4.334 4.120 -0.016 0.000 0.256 689 V C 2.303 178.333 176.094 -0.106 0.000 1.082 689 V CA 1.366 63.627 62.300 -0.065 0.000 1.105 689 V CB -0.571 31.002 31.823 -0.417 0.000 0.713 689 V HN 0.157 nan 8.190 nan 0.000 0.473 690 F N 1.255 121.164 119.950 -0.069 0.000 2.776 690 F HA 0.262 4.779 4.527 -0.016 0.000 0.300 690 F C 2.284 178.026 175.800 -0.097 0.000 1.116 690 F CA 0.751 58.697 58.000 -0.091 0.000 1.375 690 F CB -0.083 38.824 39.000 -0.155 0.000 1.109 690 F HN 0.297 nan 8.300 nan 0.000 0.585 691 E N -0.023 120.152 120.200 -0.042 0.000 2.110 691 E HA -0.203 4.137 4.350 -0.016 0.000 0.193 691 E C 0.284 176.733 176.600 -0.252 0.000 0.988 691 E CA 0.849 57.125 56.400 -0.207 0.000 0.804 691 E CB -0.131 29.301 29.700 -0.447 0.000 0.745 691 E HN 0.300 nan 8.360 nan 0.000 0.458 692 Y N 0.559 120.856 120.300 -0.006 0.000 2.335 692 Y HA 0.011 4.552 4.550 -0.015 0.000 0.348 692 Y C 0.871 176.784 175.900 0.021 0.000 1.280 692 Y CA 0.559 58.647 58.100 -0.019 0.000 1.504 692 Y CB 0.054 38.466 38.460 -0.081 0.000 1.366 692 Y HN 0.099 nan 8.280 nan 0.000 0.621 693 N N 0.578 119.391 118.700 0.187 0.000 2.688 693 N HA -0.200 4.530 4.740 -0.016 0.000 0.258 693 N C 0.524 176.114 175.510 0.132 0.000 1.016 693 N CA 1.071 54.203 53.050 0.136 0.000 0.747 693 N CB -1.150 37.414 38.487 0.129 0.000 0.895 693 N HN 1.154 nan 8.380 nan 0.000 0.543 694 G N 0.894 109.755 108.800 0.102 0.000 2.187 694 G HA2 -0.386 3.565 3.960 -0.016 0.000 0.261 694 G HA3 -0.386 3.565 3.960 -0.016 0.000 0.261 694 G C 0.551 175.518 174.900 0.112 0.000 1.000 694 G CA 0.804 45.962 45.100 0.097 0.000 0.718 694 G HN 0.940 nan 8.290 nan 0.000 0.519 695 R N -2.216 118.349 120.500 0.110 0.000 3.875 695 R HA -0.291 4.039 4.340 -0.016 0.000 0.321 695 R C 2.053 178.467 176.300 0.190 0.000 1.196 695 R CA 1.402 57.580 56.100 0.130 0.000 0.868 695 R CB -2.634 27.724 30.300 0.098 0.000 1.333 695 R HN 1.209 nan 8.270 nan 0.000 0.522 696 S N -0.913 114.932 115.700 0.242 0.000 2.402 696 S HA 0.060 4.521 4.470 -0.016 0.000 0.229 696 S C 1.679 176.507 174.600 0.380 0.000 1.021 696 S CA 1.037 59.440 58.200 0.337 0.000 0.974 696 S CB 0.410 63.825 63.200 0.359 0.000 0.800 696 S HN 0.941 nan 8.310 nan 0.000 0.484 697 G N -0.665 108.339 108.800 0.340 0.000 2.201 697 G HA2 -0.187 3.764 3.960 -0.016 0.000 0.212 697 G HA3 -0.187 3.764 3.960 -0.016 0.000 0.212 697 G C -0.252 174.765 174.900 0.195 0.000 0.994 697 G CA -0.046 45.158 45.100 0.172 0.000 0.644 697 G HN 0.497 nan 8.290 nan 0.000 0.508 698 Y N -0.089 120.348 120.300 0.228 0.000 2.393 698 Y HA 0.767 5.307 4.550 -0.016 0.000 0.341 698 Y C 0.352 176.404 175.900 0.254 0.000 0.988 698 Y CA -0.979 57.241 58.100 0.199 0.000 1.078 698 Y CB 1.797 40.152 38.460 -0.175 0.000 1.203 698 Y HN 0.118 nan 8.280 nan 0.000 0.453 699 L N 4.501 125.961 121.223 0.396 0.000 2.376 699 L HA 0.385 4.716 4.340 -0.016 0.000 0.275 699 L C -1.023 175.954 176.870 0.178 0.000 0.987 699 L CA -1.035 53.930 54.840 0.208 0.000 0.828 699 L CB 1.724 43.751 42.059 -0.054 0.000 1.249 699 L HN 0.428 nan 8.230 nan 0.000 0.409 700 L N 4.498 125.756 121.223 0.058 0.000 2.477 700 L HA 0.152 4.483 4.340 -0.016 0.000 0.272 700 L C 0.307 177.009 176.870 -0.280 0.000 1.157 700 L CA 0.388 55.037 54.840 -0.318 0.000 0.889 700 L CB 0.016 41.914 42.059 -0.268 0.000 1.158 700 L HN 0.449 nan 8.230 nan 0.000 0.473 701 K N 6.064 126.179 120.400 -0.474 0.000 2.336 701 K HA 0.191 4.501 4.320 -0.016 0.000 0.262 701 K C -2.172 174.313 176.600 -0.193 0.000 0.992 701 K CA -1.340 54.702 56.287 -0.409 0.000 0.927 701 K CB -0.152 31.956 32.500 -0.653 0.000 0.956 701 K HN 0.497 nan 8.250 nan 0.000 0.495 702 P HA -0.091 nan 4.420 nan 0.000 0.269 702 P C 0.368 177.665 177.300 -0.006 0.000 1.217 702 P CA 0.150 63.224 63.100 -0.043 0.000 0.783 702 P CB 0.518 32.219 31.700 0.002 0.000 0.898 703 E N 0.725 120.925 120.200 -0.001 0.000 2.058 703 E HA -0.191 4.149 4.350 -0.016 0.000 0.194 703 E C 1.096 177.885 176.600 0.314 0.000 0.997 703 E CA 1.347 57.810 56.400 0.104 0.000 0.801 703 E CB -0.245 29.516 29.700 0.101 0.000 0.746 703 E HN 0.334 nan 8.360 nan 0.000 0.450 704 F N -0.151 119.831 119.950 0.054 0.000 2.802 704 F HA 0.076 4.593 4.527 -0.016 0.000 0.300 704 F C 1.721 177.628 175.800 0.179 0.000 1.168 704 F CA 0.633 58.720 58.000 0.145 0.000 1.433 704 F CB -0.115 39.023 39.000 0.229 0.000 1.115 704 F HN 0.068 nan 8.300 nan 0.000 0.582 705 M N -1.346 118.422 119.600 0.280 0.000 2.453 705 M HA 0.118 4.589 4.480 -0.016 0.000 0.239 705 M C 1.338 177.620 176.300 -0.030 0.000 1.151 705 M CA 0.510 55.858 55.300 0.081 0.000 0.989 705 M CB 0.324 32.952 32.600 0.047 0.000 1.548 705 M HN 0.020 nan 8.290 nan 0.000 0.479 706 R N -0.627 119.872 120.500 -0.002 0.000 2.444 706 R HA 0.255 4.585 4.340 -0.016 0.000 0.201 706 R C 0.403 176.685 176.300 -0.031 0.000 0.861 706 R CA -0.164 55.901 56.100 -0.058 0.000 1.034 706 R CB 0.806 31.051 30.300 -0.092 0.000 1.347 706 R HN 0.208 nan 8.270 nan 0.000 0.659 707 R N 2.077 122.580 120.500 0.005 0.000 2.442 707 R HA 0.065 4.396 4.340 -0.016 0.000 0.291 707 R C -1.871 174.403 176.300 -0.044 0.000 1.069 707 R CA -1.429 54.660 56.100 -0.018 0.000 1.022 707 R CB 0.486 30.771 30.300 -0.025 0.000 0.976 707 R HN -0.062 nan 8.270 nan 0.000 0.443 708 P HA -0.206 nan 4.420 nan 0.000 0.214 708 P C 0.278 177.545 177.300 -0.055 0.000 1.163 708 P CA 1.407 64.484 63.100 -0.038 0.000 0.889 708 P CB 0.110 31.796 31.700 -0.023 0.000 0.790 709 D N -1.823 118.535 120.400 -0.070 0.000 2.324 709 D HA 0.007 4.637 4.640 -0.016 0.000 0.235 709 D C 0.247 176.462 176.300 -0.141 0.000 1.095 709 D CA 0.501 54.450 54.000 -0.085 0.000 0.871 709 D CB -0.353 40.401 40.800 -0.076 0.000 0.906 709 D HN 0.058 nan 8.370 nan 0.000 0.522 710 K N -0.126 120.174 120.400 -0.168 0.000 2.426 710 K HA 0.617 4.928 4.320 -0.016 0.000 0.251 710 K C -0.955 175.559 176.600 -0.143 0.000 0.941 710 K CA -0.743 55.382 56.287 -0.271 0.000 0.808 710 K CB 2.393 34.570 32.500 -0.540 0.000 1.265 710 K HN 0.059 nan 8.250 nan 0.000 0.432 711 S N 1.894 117.541 115.700 -0.089 0.000 2.547 711 S HA 0.829 5.289 4.470 -0.016 0.000 0.270 711 S C -1.595 173.089 174.600 0.140 0.000 1.150 711 S CA -0.791 57.398 58.200 -0.019 0.000 0.850 711 S CB 0.661 63.831 63.200 -0.050 0.000 1.118 711 S HN 0.479 nan 8.310 nan 0.000 0.461 712 F N 0.628 120.602 119.950 0.039 0.000 2.662 712 F HA 0.748 5.265 4.527 -0.016 0.000 0.312 712 F C -1.065 174.776 175.800 0.068 0.000 1.113 712 F CA -1.011 57.029 58.000 0.067 0.000 0.951 712 F CB 0.749 39.819 39.000 0.116 0.000 1.344 712 F HN 0.516 nan 8.300 nan 0.000 0.462 713 D N 3.271 123.828 120.400 0.262 0.000 2.365 713 D HA 0.369 5.000 4.640 -0.016 0.000 0.237 713 D C -1.650 174.809 176.300 0.266 0.000 1.190 713 D CA -2.616 51.488 54.000 0.173 0.000 0.867 713 D CB 1.246 42.164 40.800 0.197 0.000 1.050 713 D HN 0.258 nan 8.370 nan 0.000 0.491 714 P HA -0.152 nan 4.420 nan 0.000 0.225 714 P C 0.349 177.577 177.300 -0.120 0.000 1.141 714 P CA 0.984 64.085 63.100 0.002 0.000 0.774 714 P CB -0.106 31.480 31.700 -0.190 0.000 0.760 715 F N -0.856 119.148 119.950 0.090 0.000 2.661 715 F HA 0.096 4.614 4.527 -0.015 0.000 0.306 715 F C 1.289 177.128 175.800 0.064 0.000 1.094 715 F CA -0.353 57.683 58.000 0.061 0.000 1.254 715 F CB -0.642 38.379 39.000 0.035 0.000 1.040 715 F HN -0.236 nan 8.300 nan 0.000 0.562 716 T N -0.928 113.765 114.554 0.233 0.000 2.934 716 T HA -0.050 4.291 4.350 -0.016 0.000 0.321 716 T C 0.715 175.474 174.700 0.099 0.000 1.080 716 T CA -0.048 62.143 62.100 0.152 0.000 1.132 716 T CB 0.730 69.671 68.868 0.122 0.000 1.039 716 T HN 0.446 nan 8.240 nan 0.000 0.543 717 E N 0.194 120.436 120.200 0.070 0.000 2.548 717 E HA 0.319 4.659 4.350 -0.016 0.000 0.206 717 E C -0.246 176.357 176.600 0.005 0.000 1.005 717 E CA -0.281 56.140 56.400 0.035 0.000 0.951 717 E CB 0.584 30.309 29.700 0.042 0.000 1.035 717 E HN 0.482 nan 8.360 nan 0.000 0.470 718 V N 1.756 121.673 119.914 0.005 0.000 3.001 718 V HA 0.363 4.473 4.120 -0.016 0.000 0.314 718 V C 0.298 176.360 176.094 -0.053 0.000 1.099 718 V CA -1.413 60.878 62.300 -0.016 0.000 0.989 718 V CB 2.020 33.854 31.823 0.018 0.000 1.040 718 V HN 0.180 nan 8.190 nan 0.000 0.434 719 I N 0.385 120.903 120.570 -0.087 0.000 2.618 719 I HA 0.402 4.562 4.170 -0.016 0.000 0.284 719 I C -0.250 175.828 176.117 -0.066 0.000 1.146 719 I CA -0.006 61.220 61.300 -0.123 0.000 1.425 719 I CB 0.945 38.855 38.000 -0.150 0.000 1.383 719 I HN 0.306 nan 8.210 nan 0.000 0.562 720 V N 5.860 125.712 119.914 -0.103 0.000 2.488 720 V HA 0.044 4.154 4.120 -0.016 0.000 0.277 720 V C 0.438 176.526 176.094 -0.009 0.000 1.046 720 V CA -0.137 62.132 62.300 -0.053 0.000 0.986 720 V CB 0.850 32.584 31.823 -0.148 0.000 0.989 720 V HN 0.836 nan 8.190 nan 0.000 0.475 721 D N 3.884 124.318 120.400 0.057 0.000 2.478 721 D HA 0.296 4.927 4.640 -0.016 0.000 0.234 721 D C 1.275 177.665 176.300 0.150 0.000 1.154 721 D CA 1.779 55.826 54.000 0.078 0.000 0.874 721 D CB 0.648 41.497 40.800 0.081 0.000 1.198 721 D HN 0.997 nan 8.370 nan 0.000 0.455 722 G N 2.580 111.441 108.800 0.102 0.000 2.168 722 G HA2 -0.240 3.710 3.960 -0.016 0.000 0.257 722 G HA3 -0.240 3.710 3.960 -0.016 0.000 0.257 722 G C 0.274 175.073 174.900 -0.167 0.000 0.997 722 G CA 0.371 45.537 45.100 0.110 0.000 0.708 722 G HN 0.516 nan 8.290 nan 0.000 0.520 723 I N 0.846 121.292 120.570 -0.207 0.000 2.448 723 I HA 0.242 4.403 4.170 -0.016 0.000 0.281 723 I C 0.479 176.472 176.117 -0.207 0.000 1.027 723 I CA -1.092 59.999 61.300 -0.349 0.000 1.111 723 I CB 1.925 39.656 38.000 -0.449 0.000 1.236 723 I HN -0.148 nan 8.210 nan 0.000 0.452 724 V N 5.808 125.619 119.914 -0.172 0.000 2.458 724 V HA 0.147 4.258 4.120 -0.016 0.000 0.287 724 V C 0.990 177.014 176.094 -0.116 0.000 1.009 724 V CA -0.026 62.213 62.300 -0.103 0.000 1.091 724 V CB 0.418 32.195 31.823 -0.078 0.000 0.960 724 V HN 0.814 nan 8.190 nan 0.000 0.476 725 A N 5.700 128.468 122.820 -0.087 0.000 2.264 725 A HA 0.764 5.074 4.320 -0.016 0.000 0.304 725 A C 0.009 177.584 177.584 -0.015 0.000 1.100 725 A CA -0.670 51.291 52.037 -0.127 0.000 0.839 725 A CB 0.631 19.467 19.000 -0.273 0.000 1.121 725 A HN 0.754 nan 8.150 nan 0.000 0.496 726 N N -1.211 117.475 118.700 -0.024 0.000 2.312 726 N HA 0.688 5.418 4.740 -0.016 0.000 0.296 726 N C -0.935 174.647 175.510 0.119 0.000 1.193 726 N CA -0.099 52.977 53.050 0.044 0.000 0.773 726 N CB 2.056 40.524 38.487 -0.032 0.000 1.435 726 N HN 0.844 nan 8.380 nan 0.000 0.484 727 A N 0.968 123.867 122.820 0.133 0.000 2.317 727 A HA 0.645 4.956 4.320 -0.016 0.000 0.327 727 A C -0.920 176.708 177.584 0.073 0.000 1.178 727 A CA -0.564 51.558 52.037 0.142 0.000 0.817 727 A CB 0.522 19.592 19.000 0.117 0.000 1.189 727 A HN 0.584 nan 8.150 nan 0.000 0.489 728 L N 2.464 123.760 121.223 0.121 0.000 2.325 728 L HA 0.540 4.871 4.340 -0.016 0.000 0.281 728 L C -0.437 176.556 176.870 0.204 0.000 1.004 728 L CA -0.712 54.189 54.840 0.102 0.000 0.823 728 L CB 1.611 43.667 42.059 -0.006 0.000 1.236 728 L HN 0.868 nan 8.230 nan 0.000 0.415 729 R N 2.887 123.437 120.500 0.084 0.000 2.229 729 R HA 0.515 4.846 4.340 -0.016 0.000 0.332 729 R C -1.281 175.036 176.300 0.028 0.000 0.989 729 R CA -0.207 55.932 56.100 0.066 0.000 0.842 729 R CB 1.405 31.715 30.300 0.016 0.000 1.119 729 R HN 0.348 nan 8.270 nan 0.000 0.456 730 V N 5.211 125.176 119.914 0.084 0.000 2.349 730 V HA 0.360 4.471 4.120 -0.016 0.000 0.284 730 V C -0.466 175.576 176.094 -0.087 0.000 1.014 730 V CA -0.701 61.625 62.300 0.042 0.000 0.826 730 V CB 1.422 33.355 31.823 0.184 0.000 1.009 730 V HN 0.608 nan 8.190 nan 0.000 0.431 731 K N 4.248 124.595 120.400 -0.088 0.000 2.323 731 K HA 0.622 4.932 4.320 -0.016 0.000 0.259 731 K C -0.979 175.558 176.600 -0.106 0.000 0.947 731 K CA -0.586 55.592 56.287 -0.182 0.000 0.819 731 K CB 1.942 34.410 32.500 -0.053 0.000 1.109 731 K HN 0.447 nan 8.250 nan 0.000 0.429 732 V N 6.946 126.734 119.914 -0.210 0.000 2.405 732 V HA 0.045 4.155 4.120 -0.016 0.000 0.264 732 V C 1.438 177.554 176.094 0.036 0.000 1.048 732 V CA -0.265 61.965 62.300 -0.117 0.000 0.966 732 V CB 0.541 32.177 31.823 -0.311 0.000 1.015 732 V HN 0.854 nan 8.190 nan 0.000 0.477 733 I N 3.101 123.751 120.570 0.133 0.000 2.339 733 I HA 0.061 4.222 4.170 -0.016 0.000 0.245 733 I C 1.100 177.391 176.117 0.290 0.000 1.096 733 I CA 1.281 62.694 61.300 0.188 0.000 1.408 733 I CB 0.224 38.328 38.000 0.172 0.000 1.092 733 I HN 0.839 nan 8.210 nan 0.000 0.423 734 S N -1.177 114.719 115.700 0.327 0.000 2.615 734 S HA 0.688 5.149 4.470 -0.016 0.000 0.268 734 S C -0.569 174.244 174.600 0.355 0.000 1.146 734 S CA -0.315 58.078 58.200 0.321 0.000 0.818 734 S CB 1.699 64.965 63.200 0.110 0.000 1.111 734 S HN 0.283 nan 8.310 nan 0.000 0.465 735 G N -0.634 108.309 108.800 0.237 0.000 2.818 735 G HA2 0.718 4.669 3.960 -0.016 0.000 0.286 735 G HA3 0.718 4.669 3.960 -0.016 0.000 0.286 735 G C -2.022 172.846 174.900 -0.052 0.000 1.364 735 G CA -0.821 44.370 45.100 0.152 0.000 0.938 735 G HN 0.717 nan 8.290 nan 0.000 0.490 736 Q N -1.017 118.700 119.800 -0.138 0.000 2.327 736 Q HA 0.465 4.796 4.340 -0.016 0.000 0.265 736 Q C -1.247 174.539 176.000 -0.357 0.000 0.993 736 Q CA -0.617 54.903 55.803 -0.472 0.000 0.885 736 Q CB 2.080 30.435 28.738 -0.639 0.000 1.379 736 Q HN 0.595 nan 8.270 nan 0.000 0.408 737 F N 1.285 121.114 119.950 -0.201 0.000 2.891 737 F HA -0.244 4.273 4.527 -0.016 0.000 0.272 737 F C -0.071 175.637 175.800 -0.153 0.000 1.004 737 F CA 0.332 58.189 58.000 -0.238 0.000 0.938 737 F CB -1.736 37.159 39.000 -0.174 0.000 0.939 737 F HN 0.618 nan 8.300 nan 0.000 0.833 738 L N -1.135 120.093 121.223 0.008 0.000 2.616 738 L HA 0.294 4.624 4.340 -0.016 0.000 0.229 738 L C 0.958 177.817 176.870 -0.018 0.000 1.110 738 L CA 0.816 55.648 54.840 -0.014 0.000 0.884 738 L CB 0.537 42.594 42.059 -0.003 0.000 1.115 738 L HN 0.350 nan 8.230 nan 0.000 0.481 739 S N -1.630 114.075 115.700 0.009 0.000 2.542 739 S HA 0.169 4.630 4.470 -0.016 0.000 0.276 739 S C -0.180 174.443 174.600 0.039 0.000 1.148 739 S CA -0.701 57.509 58.200 0.017 0.000 0.886 739 S CB 1.121 64.344 63.200 0.037 0.000 1.109 739 S HN 0.039 nan 8.310 nan 0.000 0.458 740 D N 2.240 122.655 120.400 0.025 0.000 2.123 740 D HA -0.076 4.554 4.640 -0.016 0.000 0.196 740 D C 1.074 177.423 176.300 0.081 0.000 0.992 740 D CA 1.329 55.353 54.000 0.040 0.000 0.833 740 D CB -0.040 40.774 40.800 0.023 0.000 0.954 740 D HN 0.686 nan 8.370 nan 0.000 0.455 741 R N 0.898 121.444 120.500 0.076 0.000 2.486 741 R HA 0.331 4.662 4.340 -0.016 0.000 0.286 741 R C -0.063 176.301 176.300 0.107 0.000 0.999 741 R CA -0.649 55.505 56.100 0.090 0.000 0.993 741 R CB 1.412 31.756 30.300 0.073 0.000 1.084 741 R HN -0.261 nan 8.270 nan 0.000 0.487 742 K N 1.594 122.064 120.400 0.117 0.000 2.484 742 K HA 0.119 4.429 4.320 -0.016 0.000 0.280 742 K C -0.517 176.136 176.600 0.089 0.000 1.013 742 K CA 0.430 56.783 56.287 0.110 0.000 1.029 742 K CB 0.755 33.310 32.500 0.092 0.000 0.902 742 K HN 0.476 nan 8.250 nan 0.000 0.481 743 V N 1.387 121.354 119.914 0.089 0.000 3.088 743 V HA 0.312 4.423 4.120 -0.016 0.000 0.272 743 V C -0.752 175.401 176.094 0.098 0.000 1.611 743 V CA -0.624 61.731 62.300 0.091 0.000 0.990 743 V CB 1.705 33.586 31.823 0.096 0.000 1.234 743 V HN 0.888 nan 8.190 nan 0.000 0.453 744 G N 4.152 113.020 108.800 0.114 0.000 2.441 744 G HA2 0.550 4.500 3.960 -0.016 0.000 0.243 744 G HA3 0.550 4.500 3.960 -0.016 0.000 0.243 744 G C -0.732 174.289 174.900 0.203 0.000 1.281 744 G CA -0.183 45.002 45.100 0.142 0.000 0.854 744 G HN 0.832 nan 8.290 nan 0.000 0.560 745 I N 0.982 121.699 120.570 0.245 0.000 2.530 745 I HA 0.383 4.544 4.170 -0.016 0.000 0.297 745 I C -0.636 175.828 176.117 0.577 0.000 1.011 745 I CA -0.984 60.505 61.300 0.315 0.000 1.107 745 I CB 2.091 40.252 38.000 0.267 0.000 1.285 745 I HN 0.637 nan 8.210 nan 0.000 0.436 746 Y N 4.132 124.663 120.300 0.386 0.000 2.468 746 Y HA 0.866 5.406 4.550 -0.015 0.000 0.342 746 Y C -1.154 174.865 175.900 0.199 0.000 1.021 746 Y CA -1.415 56.872 58.100 0.311 0.000 1.079 746 Y CB 0.968 39.568 38.460 0.233 0.000 1.226 746 Y HN 0.161 nan 8.280 nan 0.000 0.460 747 V N 3.128 123.070 119.914 0.045 0.000 2.495 747 V HA 0.350 4.460 4.120 -0.016 0.000 0.298 747 V C -0.590 175.606 176.094 0.170 0.000 1.031 747 V CA -0.948 61.351 62.300 -0.002 0.000 0.871 747 V CB 1.466 33.144 31.823 -0.241 0.000 0.988 747 V HN 0.864 nan 8.190 nan 0.000 0.432 748 E N 3.009 123.359 120.200 0.250 0.000 2.175 748 E HA 0.591 4.931 4.350 -0.016 0.000 0.278 748 E C -1.331 175.403 176.600 0.224 0.000 0.969 748 E CA -0.610 55.939 56.400 0.248 0.000 0.796 748 E CB 2.423 32.307 29.700 0.307 0.000 1.104 748 E HN 0.445 nan 8.360 nan 0.000 0.395 749 V N 3.694 123.725 119.914 0.195 0.000 2.349 749 V HA 0.248 4.359 4.120 -0.016 0.000 0.284 749 V C -0.679 175.613 176.094 0.330 0.000 1.014 749 V CA -0.810 61.647 62.300 0.263 0.000 0.826 749 V CB 1.189 33.241 31.823 0.382 0.000 1.009 749 V HN 0.621 nan 8.190 nan 0.000 0.431 750 D N 3.698 124.283 120.400 0.308 0.000 2.340 750 D HA 0.711 5.342 4.640 -0.016 0.000 0.243 750 D C -0.420 176.034 176.300 0.255 0.000 0.988 750 D CA -0.490 53.702 54.000 0.320 0.000 0.959 750 D CB 2.254 43.264 40.800 0.350 0.000 1.226 750 D HN 0.466 nan 8.370 nan 0.000 0.509 751 M N 0.937 120.640 119.600 0.171 0.000 2.457 751 M HA 0.536 5.006 4.480 -0.016 0.000 0.300 751 M C -1.858 174.460 176.300 0.030 0.000 1.141 751 M CA -0.569 54.779 55.300 0.081 0.000 0.901 751 M CB 1.491 33.997 32.600 -0.156 0.000 1.687 751 M HN 0.193 nan 8.290 nan 0.000 0.449 752 F N 1.756 121.675 119.950 -0.052 0.000 2.563 752 F HA 0.952 5.470 4.527 -0.015 0.000 0.316 752 F C 0.497 176.263 175.800 -0.056 0.000 1.076 752 F CA -0.323 57.654 58.000 -0.038 0.000 0.921 752 F CB 2.343 41.331 39.000 -0.019 0.000 1.209 752 F HN 0.722 nan 8.300 nan 0.000 0.462 753 G N 0.902 109.758 108.800 0.093 0.000 2.333 753 G HA2 0.259 4.210 3.960 -0.016 0.000 0.288 753 G HA3 0.259 4.210 3.960 -0.016 0.000 0.288 753 G C -1.444 173.439 174.900 -0.028 0.000 1.286 753 G CA -1.250 43.863 45.100 0.021 0.000 0.865 753 G HN 0.631 nan 8.290 nan 0.000 0.506 754 L N 0.949 122.147 121.223 -0.042 0.000 2.613 754 L HA -0.017 4.314 4.340 -0.016 0.000 0.304 754 L C -1.014 175.789 176.870 -0.111 0.000 1.266 754 L CA -0.519 54.268 54.840 -0.089 0.000 0.868 754 L CB 0.307 42.332 42.059 -0.056 0.000 1.111 754 L HN 0.369 nan 8.230 nan 0.000 0.515 755 P HA -0.219 nan 4.420 nan 0.000 0.216 755 P C 1.676 178.939 177.300 -0.062 0.000 1.154 755 P CA 1.023 64.050 63.100 -0.121 0.000 0.865 755 P CB 0.155 31.771 31.700 -0.141 0.000 0.789 756 V N -0.101 119.787 119.914 -0.044 0.000 2.490 756 V HA -0.230 3.881 4.120 -0.016 0.000 0.250 756 V C 1.554 177.635 176.094 -0.021 0.000 1.061 756 V CA 2.324 64.613 62.300 -0.018 0.000 1.064 756 V CB -0.915 30.900 31.823 -0.013 0.000 0.670 756 V HN 0.025 nan 8.190 nan 0.000 0.461 757 D N -0.519 119.861 120.400 -0.034 0.000 2.240 757 D HA 0.054 4.685 4.640 -0.016 0.000 0.206 757 D C 1.156 177.453 176.300 -0.005 0.000 0.963 757 D CA 0.649 54.639 54.000 -0.016 0.000 0.863 757 D CB -0.259 40.518 40.800 -0.039 0.000 0.973 757 D HN 0.446 nan 8.370 nan 0.000 0.501 758 T N 1.072 115.591 114.554 -0.059 0.000 2.937 758 T HA 0.221 4.561 4.350 -0.016 0.000 0.316 758 T C 0.494 175.150 174.700 -0.073 0.000 1.079 758 T CA 0.315 62.342 62.100 -0.122 0.000 1.131 758 T CB 0.948 69.692 68.868 -0.207 0.000 1.000 758 T HN -0.008 nan 8.240 nan 0.000 0.549 759 R N 1.442 121.888 120.500 -0.089 0.000 3.321 759 R HA 0.176 4.507 4.340 -0.016 0.000 0.285 759 R C -1.062 175.231 176.300 -0.011 0.000 1.149 759 R CA -0.568 55.527 56.100 -0.008 0.000 1.191 759 R CB 0.664 31.079 30.300 0.192 0.000 1.276 759 R HN 0.807 nan 8.270 nan 0.000 0.429 760 R N 2.632 123.057 120.500 -0.125 0.000 2.684 760 R HA 0.333 4.663 4.340 -0.016 0.000 0.252 760 R C -0.475 175.747 176.300 -0.130 0.000 1.628 760 R CA -0.818 55.219 56.100 -0.105 0.000 1.622 760 R CB 0.751 30.926 30.300 -0.209 0.000 1.418 760 R HN 0.404 nan 8.270 nan 0.000 0.697 761 K N 0.316 120.594 120.400 -0.203 0.000 2.588 761 K HA 0.160 4.470 4.320 -0.016 0.000 0.216 761 K C -0.615 175.811 176.600 -0.291 0.000 1.382 761 K CA -0.226 55.914 56.287 -0.245 0.000 1.008 761 K CB 0.582 32.904 32.500 -0.298 0.000 1.138 761 K HN 0.089 nan 8.250 nan 0.000 0.619 762 Y N 1.832 121.958 120.300 -0.289 0.000 2.550 762 Y HA 0.122 4.663 4.550 -0.016 0.000 0.343 762 Y C 0.553 176.200 175.900 -0.421 0.000 1.245 762 Y CA 0.485 58.242 58.100 -0.571 0.000 1.462 762 Y CB 0.463 38.329 38.460 -0.990 0.000 1.340 762 Y HN -0.127 nan 8.280 nan 0.000 0.604 763 R N 0.206 120.545 120.500 -0.268 0.000 2.736 763 R HA 0.188 4.519 4.340 -0.016 0.000 0.250 763 R C -1.036 175.360 176.300 0.160 0.000 1.098 763 R CA -0.445 55.663 56.100 0.013 0.000 0.978 763 R CB 1.366 31.658 30.300 -0.012 0.000 1.263 763 R HN 0.847 nan 8.270 nan 0.000 0.460 764 T N 0.020 114.720 114.554 0.244 0.000 2.824 764 T HA 0.437 4.778 4.350 -0.016 0.000 0.277 764 T C 0.524 175.355 174.700 0.220 0.000 0.975 764 T CA -0.769 61.449 62.100 0.197 0.000 0.966 764 T CB 0.912 69.613 68.868 -0.279 0.000 1.054 764 T HN 0.430 nan 8.240 nan 0.000 0.533 765 R N 0.658 121.326 120.500 0.280 0.000 2.537 765 R HA 0.237 4.567 4.340 -0.016 0.000 0.280 765 R C 0.300 176.886 176.300 0.477 0.000 1.058 765 R CA -0.218 56.065 56.100 0.305 0.000 1.057 765 R CB 0.195 30.666 30.300 0.285 0.000 0.973 765 R HN 0.652 nan 8.270 nan 0.000 0.438 766 T N 2.327 117.089 114.554 0.347 0.000 2.933 766 T HA -0.050 4.291 4.350 -0.016 0.000 0.306 766 T C 0.734 175.640 174.700 0.343 0.000 1.045 766 T CA 0.163 62.510 62.100 0.412 0.000 1.143 766 T CB 0.418 69.446 68.868 0.267 0.000 1.003 766 T HN 0.691 nan 8.240 nan 0.000 0.540 767 S N 3.628 119.520 115.700 0.319 0.000 2.608 767 S HA 0.045 4.506 4.470 -0.016 0.000 0.261 767 S C 1.830 176.426 174.600 -0.007 0.000 1.314 767 S CA -0.543 57.674 58.200 0.027 0.000 0.992 767 S CB 0.642 63.714 63.200 -0.214 0.000 0.935 767 S HN 0.789 nan 8.310 nan 0.000 0.564 768 Q N 1.318 121.055 119.800 -0.104 0.000 2.182 768 Q HA -0.136 4.195 4.340 -0.016 0.000 0.213 768 Q C 1.437 177.428 176.000 -0.014 0.000 1.000 768 Q CA 2.130 57.899 55.803 -0.057 0.000 0.889 768 Q CB -0.938 27.744 28.738 -0.093 0.000 0.932 768 Q HN 1.306 nan 8.270 nan 0.000 0.415 769 G N 0.116 108.910 108.800 -0.010 0.000 3.611 769 G HA2 -0.134 3.816 3.960 -0.016 0.000 0.217 769 G HA3 -0.134 3.816 3.960 -0.016 0.000 0.217 769 G C -0.130 174.781 174.900 0.019 0.000 1.023 769 G CA -0.233 44.876 45.100 0.015 0.000 0.887 769 G HN 0.190 nan 8.290 nan 0.000 0.420 770 N N 2.125 120.820 118.700 -0.008 0.000 2.469 770 N HA 0.368 5.099 4.740 -0.016 0.000 0.239 770 N C 1.208 176.736 175.510 0.031 0.000 1.053 770 N CA 0.654 53.716 53.050 0.021 0.000 0.937 770 N CB 1.463 39.951 38.487 0.001 0.000 1.163 770 N HN 0.367 nan 8.380 nan 0.000 0.509 771 S N 2.197 117.951 115.700 0.089 0.000 2.754 771 S HA 0.038 4.499 4.470 -0.016 0.000 0.223 771 S C 1.216 175.888 174.600 0.120 0.000 0.951 771 S CA -0.124 58.126 58.200 0.084 0.000 0.954 771 S CB -0.347 62.908 63.200 0.092 0.000 0.780 771 S HN 0.500 nan 8.310 nan 0.000 0.509 772 F N 2.978 122.925 119.950 -0.004 0.000 2.243 772 F HA 0.270 4.788 4.527 -0.015 0.000 0.287 772 F C 1.189 176.924 175.800 -0.109 0.000 1.067 772 F CA 0.935 58.951 58.000 0.027 0.000 1.304 772 F CB 0.291 39.319 39.000 0.048 0.000 1.087 772 F HN 0.458 nan 8.300 nan 0.000 0.513 773 N N -0.602 118.167 118.700 0.114 0.000 2.622 773 N HA 0.195 4.925 4.740 -0.016 0.000 0.293 773 N C -3.197 172.249 175.510 -0.107 0.000 1.788 773 N CA -1.449 51.570 53.050 -0.051 0.000 0.860 773 N CB -0.710 37.782 38.487 0.008 0.000 1.388 773 N HN 0.016 nan 8.380 nan 0.000 0.496 774 P HA 0.072 nan 4.420 nan 0.000 0.267 774 P C -0.114 176.934 177.300 -0.420 0.000 1.205 774 P CA -0.043 62.828 63.100 -0.382 0.000 0.765 774 P CB 1.316 32.649 31.700 -0.611 0.000 0.828 775 V N 4.872 124.587 119.914 -0.332 0.000 2.427 775 V HA 0.284 4.395 4.120 -0.016 0.000 0.286 775 V C 0.275 176.228 176.094 -0.236 0.000 1.034 775 V CA -0.550 61.646 62.300 -0.174 0.000 0.893 775 V CB 1.126 32.906 31.823 -0.071 0.000 0.982 775 V HN 0.563 nan 8.190 nan 0.000 0.452 776 W N 2.175 123.485 121.300 0.017 0.000 2.438 776 W HA 0.381 5.031 4.660 -0.016 0.000 0.324 776 W C -0.327 176.192 176.519 -0.000 0.000 1.119 776 W CA -0.429 56.928 57.345 0.021 0.000 1.221 776 W CB 1.695 31.176 29.460 0.035 0.000 1.253 776 W HN 0.477 nan 8.180 nan 0.000 0.555 777 D N 2.746 123.270 120.400 0.206 0.000 2.460 777 D HA 0.288 4.919 4.640 -0.016 0.000 0.232 777 D C -0.433 175.928 176.300 0.102 0.000 1.079 777 D CA 0.247 54.314 54.000 0.112 0.000 0.864 777 D CB 0.680 41.514 40.800 0.057 0.000 1.048 777 D HN 0.373 nan 8.370 nan 0.000 0.523 778 E N 1.373 121.609 120.200 0.059 0.000 2.446 778 E HA 0.310 4.650 4.350 -0.016 0.000 0.269 778 E C -0.595 175.973 176.600 -0.053 0.000 0.977 778 E CA -0.917 55.493 56.400 0.017 0.000 0.854 778 E CB 1.349 31.052 29.700 0.005 0.000 1.545 778 E HN 0.218 nan 8.360 nan 0.000 0.448 779 E N 1.486 121.648 120.200 -0.063 0.000 2.277 779 E HA 0.311 4.652 4.350 -0.016 0.000 0.274 779 E C -2.304 174.158 176.600 -0.230 0.000 1.022 779 E CA -1.904 54.445 56.400 -0.085 0.000 0.853 779 E CB 0.608 30.301 29.700 -0.012 0.000 1.086 779 E HN 0.174 nan 8.360 nan 0.000 0.397 780 P HA 0.030 nan 4.420 nan 0.000 0.269 780 P C -0.620 176.518 177.300 -0.269 0.000 1.215 780 P CA 0.137 63.070 63.100 -0.277 0.000 0.780 780 P CB 0.208 31.851 31.700 -0.095 0.000 0.898 781 F N 1.295 121.102 119.950 -0.239 0.000 2.421 781 F HA 0.215 4.732 4.527 -0.016 0.000 0.358 781 F C 1.089 176.560 175.800 -0.549 0.000 1.115 781 F CA -0.247 57.379 58.000 -0.623 0.000 1.160 781 F CB -0.002 38.465 39.000 -0.890 0.000 1.123 781 F HN 0.116 nan 8.300 nan 0.000 0.508 782 D N 3.285 123.446 120.400 -0.398 0.000 2.177 782 D HA 0.315 4.946 4.640 -0.016 0.000 0.247 782 D C -0.980 175.009 176.300 -0.517 0.000 1.063 782 D CA -0.049 53.818 54.000 -0.222 0.000 0.867 782 D CB 1.512 42.275 40.800 -0.062 0.000 1.168 782 D HN 0.174 nan 8.370 nan 0.000 0.445 783 F N 2.389 122.363 119.950 0.040 0.000 2.676 783 F HA 0.270 4.788 4.527 -0.015 0.000 0.371 783 F C -1.738 174.101 175.800 0.066 0.000 1.141 783 F CA -1.860 56.183 58.000 0.071 0.000 1.133 783 F CB 1.791 40.821 39.000 0.050 0.000 1.376 783 F HN 0.118 nan 8.300 nan 0.000 0.491 784 P HA 0.000 nan 4.420 nan 0.000 0.245 784 P C -0.113 177.375 177.300 0.313 0.000 1.203 784 P CA 0.500 63.718 63.100 0.198 0.000 0.792 784 P CB 0.693 32.475 31.700 0.137 0.000 0.997 785 K N 0.620 121.149 120.400 0.214 0.000 2.668 785 K HA 0.348 4.659 4.320 -0.016 0.000 0.246 785 K C -1.730 174.846 176.600 -0.039 0.000 0.976 785 K CA -0.541 55.763 56.287 0.029 0.000 0.902 785 K CB 2.082 34.541 32.500 -0.069 0.000 1.172 785 K HN -0.339 nan 8.250 nan 0.000 0.452 786 V N 5.059 124.927 119.914 -0.076 0.000 2.313 786 V HA 0.118 4.228 4.120 -0.016 0.000 0.278 786 V C 1.323 177.315 176.094 -0.171 0.000 1.017 786 V CA -0.616 61.634 62.300 -0.084 0.000 0.823 786 V CB 1.170 32.957 31.823 -0.061 0.000 1.010 786 V HN 0.598 nan 8.190 nan 0.000 0.443 787 V N 4.623 124.430 119.914 -0.179 0.000 2.295 787 V HA -0.096 4.014 4.120 -0.016 0.000 0.246 787 V C 0.960 176.920 176.094 -0.224 0.000 1.049 787 V CA 1.728 63.897 62.300 -0.219 0.000 1.024 787 V CB -0.230 31.490 31.823 -0.171 0.000 0.648 787 V HN 0.658 nan 8.190 nan 0.000 0.447 788 L N 1.958 123.067 121.223 -0.190 0.000 2.457 788 L HA 0.439 4.770 4.340 -0.016 0.000 0.252 788 L C -1.499 175.279 176.870 -0.154 0.000 1.132 788 L CA -1.581 53.136 54.840 -0.206 0.000 0.938 788 L CB 1.389 43.324 42.059 -0.208 0.000 1.246 788 L HN -0.035 nan 8.230 nan 0.000 0.476 789 P HA -0.144 nan 4.420 nan 0.000 0.216 789 P C 1.369 178.583 177.300 -0.144 0.000 1.150 789 P CA 1.169 64.185 63.100 -0.139 0.000 0.837 789 P CB 0.179 31.799 31.700 -0.133 0.000 0.786 790 T N -0.491 113.974 114.554 -0.148 0.000 2.918 790 T HA -0.122 4.218 4.350 -0.016 0.000 0.271 790 T C 1.404 176.032 174.700 -0.120 0.000 1.104 790 T CA 0.855 62.871 62.100 -0.140 0.000 1.114 790 T CB -0.483 68.299 68.868 -0.142 0.000 0.855 790 T HN -0.014 nan 8.240 nan 0.000 0.518 791 L N -0.163 121.000 121.223 -0.101 0.000 2.766 791 L HA 0.568 4.898 4.340 -0.016 0.000 0.242 791 L C 0.576 177.387 176.870 -0.098 0.000 1.136 791 L CA -0.048 54.743 54.840 -0.082 0.000 0.933 791 L CB 0.045 42.098 42.059 -0.010 0.000 1.241 791 L HN 0.027 nan 8.230 nan 0.000 0.522 792 A N -0.446 122.308 122.820 -0.110 0.000 2.274 792 A HA 0.707 5.018 4.320 -0.016 0.000 0.309 792 A C -0.198 177.311 177.584 -0.125 0.000 1.226 792 A CA -0.229 51.752 52.037 -0.093 0.000 0.853 792 A CB 0.285 19.223 19.000 -0.104 0.000 1.146 792 A HN 0.260 nan 8.150 nan 0.000 0.518 793 S N 2.324 117.980 115.700 -0.073 0.000 2.456 793 S HA 0.479 4.939 4.470 -0.016 0.000 0.316 793 S C -0.450 174.128 174.600 -0.036 0.000 1.089 793 S CA -0.545 57.595 58.200 -0.100 0.000 1.101 793 S CB 1.108 64.239 63.200 -0.115 0.000 0.995 793 S HN 0.682 nan 8.310 nan 0.000 0.468 794 L N 3.289 124.453 121.223 -0.099 0.000 2.417 794 L HA 0.499 4.830 4.340 -0.016 0.000 0.268 794 L C 0.275 177.148 176.870 0.005 0.000 1.158 794 L CA 0.191 54.983 54.840 -0.080 0.000 0.819 794 L CB 0.567 42.531 42.059 -0.158 0.000 1.112 794 L HN 0.766 nan 8.230 nan 0.000 0.458 795 R N 5.330 125.886 120.500 0.093 0.000 2.473 795 R HA 0.550 4.881 4.340 -0.016 0.000 0.303 795 R C -1.628 174.772 176.300 0.167 0.000 1.002 795 R CA -0.468 55.713 56.100 0.134 0.000 0.884 795 R CB 0.684 31.081 30.300 0.161 0.000 1.173 795 R HN 0.708 nan 8.270 nan 0.000 0.464 796 I N 3.862 124.513 120.570 0.135 0.000 2.321 796 I HA 0.472 4.632 4.170 -0.016 0.000 0.291 796 I C -0.263 175.939 176.117 0.142 0.000 0.998 796 I CA -0.637 60.739 61.300 0.126 0.000 1.227 796 I CB 1.905 39.944 38.000 0.065 0.000 1.368 796 I HN 0.723 nan 8.210 nan 0.000 0.466 797 A N 5.580 128.493 122.820 0.154 0.000 2.357 797 A HA 0.822 5.133 4.320 -0.016 0.000 0.295 797 A C -0.310 177.217 177.584 -0.096 0.000 1.121 797 A CA -0.523 51.566 52.037 0.087 0.000 0.742 797 A CB 1.152 20.348 19.000 0.327 0.000 1.181 797 A HN 0.761 nan 8.150 nan 0.000 0.454 798 A N 1.899 124.482 122.820 -0.396 0.000 2.316 798 A HA 0.854 5.165 4.320 -0.016 0.000 0.284 798 A C -0.792 176.282 177.584 -0.850 0.000 1.115 798 A CA 0.024 51.813 52.037 -0.414 0.000 0.812 798 A CB 0.060 18.877 19.000 -0.306 0.000 1.064 798 A HN 0.780 nan 8.150 nan 0.000 0.489 799 F N -0.377 119.298 119.950 -0.458 0.000 2.613 799 F HA 0.352 4.870 4.527 -0.015 0.000 0.310 799 F C 0.286 175.860 175.800 -0.378 0.000 1.085 799 F CA -0.465 57.232 58.000 -0.505 0.000 0.945 799 F CB 1.997 40.505 39.000 -0.819 0.000 1.298 799 F HN 0.609 nan 8.300 nan 0.000 0.455 800 E N 1.031 121.258 120.200 0.045 0.000 2.301 800 E HA 0.160 4.500 4.350 -0.016 0.000 0.275 800 E C -0.714 176.043 176.600 0.262 0.000 1.030 800 E CA -0.647 55.830 56.400 0.128 0.000 0.852 800 E CB 0.841 30.611 29.700 0.117 0.000 1.060 800 E HN 0.534 nan 8.360 nan 0.000 0.401 801 E N 0.486 120.868 120.200 0.303 0.000 2.900 801 E HA -0.159 4.182 4.350 -0.016 0.000 0.259 801 E C 0.826 177.571 176.600 0.242 0.000 0.918 801 E CA 1.155 57.740 56.400 0.309 0.000 0.960 801 E CB 0.085 29.908 29.700 0.204 0.000 0.908 801 E HN 0.893 nan 8.360 nan 0.000 0.511 802 G N 2.400 111.341 108.800 0.235 0.000 2.258 802 G HA2 -0.271 3.679 3.960 -0.016 0.000 0.233 802 G HA3 -0.271 3.679 3.960 -0.016 0.000 0.233 802 G C 0.823 175.842 174.900 0.198 0.000 1.006 802 G CA -0.001 45.201 45.100 0.170 0.000 0.620 802 G HN 1.390 nan 8.290 nan 0.000 0.511 803 G N -0.505 108.473 108.800 0.296 0.000 2.131 803 G HA2 -0.128 3.823 3.960 -0.016 0.000 0.201 803 G HA3 -0.128 3.823 3.960 -0.016 0.000 0.201 803 G C 0.086 175.239 174.900 0.422 0.000 1.000 803 G CA 0.923 46.214 45.100 0.318 0.000 0.680 803 G HN 0.931 nan 8.290 nan 0.000 0.514 804 K N 0.397 120.989 120.400 0.320 0.000 2.402 804 K HA 0.193 4.504 4.320 -0.016 0.000 0.285 804 K C 0.148 176.923 176.600 0.291 0.000 1.054 804 K CA -0.687 55.760 56.287 0.267 0.000 1.001 804 K CB -0.048 32.545 32.500 0.155 0.000 0.946 804 K HN 0.196 nan 8.250 nan 0.000 0.473 805 F N 6.115 126.146 119.950 0.134 0.000 2.518 805 F HA -0.086 4.431 4.527 -0.016 0.000 0.375 805 F C 1.069 176.735 175.800 -0.223 0.000 1.097 805 F CA 0.040 57.906 58.000 -0.223 0.000 1.108 805 F CB 0.138 39.078 39.000 -0.100 0.000 1.078 805 F HN 0.313 nan 8.300 nan 0.000 0.564 806 V N 5.542 125.015 119.914 -0.735 0.000 2.227 806 V HA 0.136 4.247 4.120 -0.016 0.000 0.238 806 V C 1.467 176.999 176.094 -0.937 0.000 1.039 806 V CA 1.579 63.523 62.300 -0.592 0.000 0.990 806 V CB -1.161 30.407 31.823 -0.426 0.000 0.635 806 V HN 0.933 nan 8.190 nan 0.000 0.453 807 G N -1.575 106.498 108.800 -1.213 0.000 2.600 807 G HA2 0.625 4.575 3.960 -0.016 0.000 0.293 807 G HA3 0.625 4.575 3.960 -0.016 0.000 0.293 807 G C -1.594 172.948 174.900 -0.597 0.000 1.408 807 G CA 0.000 44.537 45.100 -0.939 0.000 0.782 807 G HN 0.761 nan 8.290 nan 0.000 0.482 808 H N -1.013 117.916 119.070 -0.234 0.000 2.918 808 H HA 0.858 5.405 4.556 -0.015 0.000 0.303 808 H C -1.672 173.650 175.328 -0.009 0.000 1.380 808 H CA -0.984 55.029 56.048 -0.058 0.000 1.134 808 H CB 2.096 31.952 29.762 0.156 0.000 1.842 808 H HN 0.717 nan 8.280 nan 0.000 0.533 809 R N 0.703 121.109 120.500 -0.157 0.000 2.626 809 R HA 0.546 4.876 4.340 -0.016 0.000 0.274 809 R C -1.779 174.518 176.300 -0.006 0.000 1.031 809 R CA -0.531 55.437 56.100 -0.219 0.000 0.898 809 R CB 1.435 31.666 30.300 -0.115 0.000 1.222 809 R HN 0.549 nan 8.270 nan 0.000 0.455 810 I N 4.534 125.098 120.570 -0.010 0.000 2.362 810 I HA 0.420 4.580 4.170 -0.016 0.000 0.289 810 I C -0.746 175.414 176.117 0.072 0.000 0.994 810 I CA -0.197 61.130 61.300 0.045 0.000 1.158 810 I CB 1.515 39.549 38.000 0.056 0.000 1.315 810 I HN 0.355 nan 8.210 nan 0.000 0.451 811 L N 8.042 129.252 121.223 -0.023 0.000 2.365 811 L HA 0.588 4.918 4.340 -0.016 0.000 0.273 811 L C -2.352 174.371 176.870 -0.245 0.000 1.000 811 L CA -1.901 52.876 54.840 -0.104 0.000 0.819 811 L CB 2.249 44.254 42.059 -0.091 0.000 1.284 811 L HN 0.315 nan 8.230 nan 0.000 0.418 812 P HA 0.053 nan 4.420 nan 0.000 0.276 812 P C 0.735 177.865 177.300 -0.283 0.000 1.235 812 P CA -0.232 62.625 63.100 -0.406 0.000 0.772 812 P CB 1.670 33.034 31.700 -0.560 0.000 0.871 813 V N 3.008 122.783 119.914 -0.232 0.000 2.515 813 V HA -0.214 3.896 4.120 -0.016 0.000 0.250 813 V C 2.423 178.404 176.094 -0.188 0.000 1.058 813 V CA 2.679 64.858 62.300 -0.202 0.000 1.064 813 V CB -1.307 30.403 31.823 -0.189 0.000 0.675 813 V HN 0.614 nan 8.190 nan 0.000 0.461 814 S N 0.746 116.331 115.700 -0.191 0.000 2.442 814 S HA -0.059 4.401 4.470 -0.016 0.000 0.236 814 S C 1.900 176.393 174.600 -0.178 0.000 1.007 814 S CA 1.172 59.268 58.200 -0.172 0.000 0.965 814 S CB -0.260 62.841 63.200 -0.164 0.000 0.773 814 S HN 0.600 nan 8.310 nan 0.000 0.504 815 A N 0.931 123.629 122.820 -0.204 0.000 1.973 815 A HA 0.463 4.774 4.320 -0.016 0.000 0.210 815 A C 0.877 178.347 177.584 -0.190 0.000 1.200 815 A CA -0.354 51.567 52.037 -0.194 0.000 0.707 815 A CB -0.339 18.531 19.000 -0.217 0.000 0.862 815 A HN 0.480 nan 8.150 nan 0.000 0.461 816 I N 1.475 121.927 120.570 -0.197 0.000 2.948 816 I HA -0.061 4.100 4.170 -0.016 0.000 0.303 816 I C 0.369 176.364 176.117 -0.203 0.000 1.224 816 I CA 0.144 61.327 61.300 -0.194 0.000 1.442 816 I CB 0.438 38.329 38.000 -0.182 0.000 1.328 816 I HN 0.354 nan 8.210 nan 0.000 0.578 817 R N 4.341 124.692 120.500 -0.248 0.000 2.549 817 R HA 0.481 4.812 4.340 -0.016 0.000 0.259 817 R C -0.609 175.581 176.300 -0.184 0.000 1.095 817 R CA -0.781 55.171 56.100 -0.248 0.000 1.148 817 R CB 1.105 31.171 30.300 -0.390 0.000 1.181 817 R HN 0.544 nan 8.270 nan 0.000 0.571 818 S N -0.416 115.222 115.700 -0.103 0.000 2.501 818 S HA 0.766 5.226 4.470 -0.016 0.000 0.301 818 S C -0.145 174.402 174.600 -0.088 0.000 1.096 818 S CA -0.082 58.026 58.200 -0.154 0.000 1.063 818 S CB 1.870 64.966 63.200 -0.172 0.000 1.042 818 S HN 0.895 nan 8.310 nan 0.000 0.494 819 G N 1.455 110.034 108.800 -0.368 0.000 2.362 819 G HA2 -0.046 3.905 3.960 -0.016 0.000 0.517 819 G HA3 -0.046 3.905 3.960 -0.016 0.000 0.517 819 G C -1.831 172.805 174.900 -0.439 0.000 1.256 819 G CA -1.053 43.788 45.100 -0.432 0.000 1.027 819 G HN 0.516 nan 8.290 nan 0.000 0.491 820 Y N 2.167 122.391 120.300 -0.127 0.000 2.393 820 Y HA 0.620 5.161 4.550 -0.016 0.000 0.338 820 Y C 1.139 176.728 175.900 -0.518 0.000 1.029 820 Y CA 0.220 58.257 58.100 -0.105 0.000 1.239 820 Y CB 0.833 39.337 38.460 0.072 0.000 1.170 820 Y HN 0.507 nan 8.280 nan 0.000 0.515 821 H N 1.675 120.753 119.070 0.015 0.000 3.012 821 H HA 0.242 4.789 4.556 -0.016 0.000 0.367 821 H C -1.388 173.867 175.328 -0.122 0.000 1.211 821 H CA -1.192 54.826 56.048 -0.050 0.000 1.139 821 H CB 1.520 31.263 29.762 -0.031 0.000 1.838 821 H HN 0.520 nan 8.280 nan 0.000 0.550 822 Y N 0.364 120.754 120.300 0.150 0.000 2.299 822 Y HA 0.257 4.798 4.550 -0.015 0.000 0.326 822 Y C 0.512 176.449 175.900 0.061 0.000 1.164 822 Y CA -0.334 57.816 58.100 0.085 0.000 1.234 822 Y CB 1.110 39.602 38.460 0.054 0.000 1.219 822 Y HN 0.159 nan 8.280 nan 0.000 0.497 823 V N 3.375 123.397 119.914 0.180 0.000 2.357 823 V HA 0.224 4.335 4.120 -0.016 0.000 0.284 823 V C -0.451 175.666 176.094 0.038 0.000 1.018 823 V CA -1.061 61.286 62.300 0.080 0.000 0.841 823 V CB 0.757 32.599 31.823 0.031 0.000 0.991 823 V HN 0.852 nan 8.190 nan 0.000 0.437 824 C N 6.489 125.774 119.300 -0.026 0.000 2.435 824 C HA 0.515 4.965 4.460 -0.016 0.000 0.375 824 C C 0.722 175.585 174.990 -0.212 0.000 1.281 824 C CA -0.730 58.189 59.018 -0.164 0.000 1.963 824 C CB -0.323 27.222 27.740 -0.324 0.000 2.490 824 C HN 0.733 nan 8.230 nan 0.000 0.557 825 L N 3.719 124.806 121.223 -0.227 0.000 2.490 825 L HA 0.622 4.953 4.340 -0.016 0.000 0.245 825 L C 0.476 177.199 176.870 -0.244 0.000 1.185 825 L CA -0.386 54.324 54.840 -0.217 0.000 0.813 825 L CB 0.260 42.196 42.059 -0.204 0.000 1.233 825 L HN 0.595 nan 8.230 nan 0.000 0.489 826 R N 0.151 120.530 120.500 -0.202 0.000 2.680 826 R HA 0.311 4.642 4.340 -0.016 0.000 0.269 826 R C -1.259 175.072 176.300 0.052 0.000 1.026 826 R CA -1.002 55.014 56.100 -0.139 0.000 0.889 826 R CB 1.398 31.561 30.300 -0.228 0.000 1.241 826 R HN 0.681 nan 8.270 nan 0.000 0.463 827 N N 0.420 119.189 118.700 0.114 0.000 2.322 827 N HA 0.018 4.748 4.740 -0.016 0.000 0.270 827 N C 0.501 176.241 175.510 0.384 0.000 1.286 827 N CA -0.296 52.926 53.050 0.287 0.000 0.948 827 N CB 0.381 38.955 38.487 0.145 0.000 1.164 827 N HN 0.426 nan 8.380 nan 0.000 0.551 828 E N -0.613 119.725 120.200 0.230 0.000 2.171 828 E HA -0.108 4.233 4.350 -0.016 0.000 0.197 828 E C 1.101 177.775 176.600 0.125 0.000 0.997 828 E CA 2.093 58.482 56.400 -0.017 0.000 0.810 828 E CB -0.410 29.147 29.700 -0.238 0.000 0.738 828 E HN 0.697 nan 8.360 nan 0.000 0.467 829 A N 0.153 123.053 122.820 0.134 0.000 2.337 829 A HA 0.151 4.461 4.320 -0.016 0.000 0.227 829 A C 0.649 178.403 177.584 0.284 0.000 1.259 829 A CA 0.365 52.520 52.037 0.196 0.000 0.870 829 A CB -0.214 18.763 19.000 -0.037 0.000 0.927 829 A HN 0.223 nan 8.150 nan 0.000 0.497 830 N N -1.119 117.723 118.700 0.236 0.000 2.878 830 N HA -0.172 4.559 4.740 -0.016 0.000 0.247 830 N C -0.175 175.370 175.510 0.059 0.000 1.021 830 N CA 1.280 54.422 53.050 0.153 0.000 0.873 830 N CB -1.726 36.904 38.487 0.238 0.000 1.128 830 N HN 0.753 nan 8.380 nan 0.000 0.571 831 Q N 0.710 120.518 119.800 0.013 0.000 2.364 831 Q HA 0.244 4.575 4.340 -0.016 0.000 0.267 831 Q C -2.186 173.788 176.000 -0.044 0.000 0.999 831 Q CA -1.094 54.690 55.803 -0.033 0.000 0.886 831 Q CB 0.610 29.311 28.738 -0.062 0.000 1.243 831 Q HN 0.266 nan 8.270 nan 0.000 0.415 832 P HA 0.062 nan 4.420 nan 0.000 0.282 832 P C -0.753 176.452 177.300 -0.158 0.000 1.262 832 P CA 0.075 63.099 63.100 -0.128 0.000 0.773 832 P CB 0.587 32.272 31.700 -0.025 0.000 0.879 833 L N 3.132 124.216 121.223 -0.231 0.000 2.479 833 L HA 0.242 4.573 4.340 -0.016 0.000 0.248 833 L C 2.010 178.687 176.870 -0.322 0.000 1.205 833 L CA -0.353 54.366 54.840 -0.202 0.000 0.817 833 L CB 0.078 42.030 42.059 -0.178 0.000 1.162 833 L HN 0.488 nan 8.230 nan 0.000 0.486 834 C N -0.306 118.885 119.300 -0.180 0.000 2.463 834 C HA 0.215 4.665 4.460 -0.016 0.000 0.322 834 C C 2.272 177.215 174.990 -0.079 0.000 1.556 834 C CA -0.047 58.912 59.018 -0.099 0.000 2.225 834 C CB -0.521 27.250 27.740 0.051 0.000 1.995 834 C HN 0.773 nan 8.230 nan 0.000 0.678 835 L N 2.031 123.222 121.223 -0.054 0.000 1.976 835 L HA 0.081 4.411 4.340 -0.016 0.000 0.209 835 L C -1.314 175.592 176.870 0.061 0.000 1.071 835 L CA 1.059 55.910 54.840 0.017 0.000 0.746 835 L CB -1.782 40.222 42.059 -0.092 0.000 0.890 835 L HN 0.297 nan 8.230 nan 0.000 0.432 836 P HA 0.052 nan 4.420 nan 0.000 0.260 836 P C -0.888 176.362 177.300 -0.084 0.000 1.185 836 P CA 0.723 63.795 63.100 -0.048 0.000 0.763 836 P CB 0.676 32.315 31.700 -0.102 0.000 0.776 837 A N 4.220 127.018 122.820 -0.036 0.000 2.527 837 A HA 0.829 5.139 4.320 -0.016 0.000 0.293 837 A C -1.143 176.481 177.584 0.067 0.000 1.117 837 A CA -0.800 51.236 52.037 -0.002 0.000 0.723 837 A CB 1.296 20.306 19.000 0.016 0.000 1.313 837 A HN 0.430 nan 8.150 nan 0.000 0.411 838 L N 0.473 121.767 121.223 0.119 0.000 2.370 838 L HA 0.636 4.966 4.340 -0.016 0.000 0.266 838 L C -1.027 175.951 176.870 0.180 0.000 1.002 838 L CA -0.916 54.012 54.840 0.147 0.000 0.818 838 L CB 1.859 43.970 42.059 0.087 0.000 1.325 838 L HN 0.639 nan 8.230 nan 0.000 0.418 839 L N 4.181 125.469 121.223 0.108 0.000 2.282 839 L HA 0.702 5.033 4.340 -0.016 0.000 0.288 839 L C -0.692 176.196 176.870 0.031 0.000 1.033 839 L CA -0.241 54.546 54.840 -0.089 0.000 0.807 839 L CB 1.238 43.178 42.059 -0.197 0.000 1.209 839 L HN 0.507 nan 8.230 nan 0.000 0.423 840 I N 2.896 123.488 120.570 0.036 0.000 2.769 840 I HA 0.523 4.684 4.170 -0.016 0.000 0.298 840 I C -1.682 174.493 176.117 0.096 0.000 1.128 840 I CA -0.861 60.481 61.300 0.069 0.000 1.031 840 I CB 1.674 39.693 38.000 0.030 0.000 1.235 840 I HN 0.582 nan 8.210 nan 0.000 0.423 841 Y N 3.836 124.097 120.300 -0.065 0.000 2.330 841 Y HA 0.803 5.344 4.550 -0.016 0.000 0.336 841 Y C -0.510 175.291 175.900 -0.164 0.000 1.036 841 Y CA -0.122 57.846 58.100 -0.220 0.000 1.125 841 Y CB 1.549 39.795 38.460 -0.357 0.000 1.194 841 Y HN 0.864 nan 8.280 nan 0.000 0.469 842 T N 2.894 116.972 114.554 -0.793 0.000 2.886 842 T HA 0.500 4.840 4.350 -0.016 0.000 0.292 842 T C -1.059 173.243 174.700 -0.662 0.000 1.012 842 T CA -1.055 60.729 62.100 -0.527 0.000 0.982 842 T CB 1.819 70.529 68.868 -0.263 0.000 1.018 842 T HN 0.638 nan 8.240 nan 0.000 0.451 843 E N 0.968 120.946 120.200 -0.370 0.000 2.182 843 E HA 0.604 4.944 4.350 -0.016 0.000 0.258 843 E C -1.015 175.503 176.600 -0.136 0.000 0.879 843 E CA -0.732 55.529 56.400 -0.232 0.000 0.754 843 E CB 1.593 31.214 29.700 -0.131 0.000 1.162 843 E HN 0.887 nan 8.360 nan 0.000 0.419 844 A N 2.757 125.495 122.820 -0.137 0.000 2.304 844 A HA 0.709 5.020 4.320 -0.016 0.000 0.314 844 A C -0.502 177.030 177.584 -0.088 0.000 1.187 844 A CA -0.544 51.430 52.037 -0.106 0.000 0.810 844 A CB 0.869 19.789 19.000 -0.132 0.000 1.183 844 A HN 0.551 nan 8.150 nan 0.000 0.487 845 S N 1.296 116.965 115.700 -0.053 0.000 2.685 845 S HA 0.636 5.097 4.470 -0.016 0.000 0.282 845 S C -1.364 173.230 174.600 -0.011 0.000 1.159 845 S CA -0.897 57.279 58.200 -0.040 0.000 0.833 845 S CB 1.308 64.489 63.200 -0.032 0.000 1.151 845 S HN 0.471 nan 8.310 nan 0.000 0.485 846 D N 1.611 122.006 120.400 -0.008 0.000 2.343 846 D HA 0.214 4.845 4.640 -0.016 0.000 0.255 846 D C -0.530 175.810 176.300 0.067 0.000 1.187 846 D CA 0.208 54.222 54.000 0.023 0.000 0.875 846 D CB 0.250 41.053 40.800 0.005 0.000 1.136 846 D HN 0.547 nan 8.370 nan 0.000 0.469 847 Y N 2.639 122.922 120.300 -0.029 0.000 2.578 847 Y HA 0.164 4.704 4.550 -0.016 0.000 0.339 847 Y C 0.013 175.914 175.900 0.002 0.000 1.231 847 Y CA 0.454 58.545 58.100 -0.014 0.000 1.461 847 Y CB 0.415 38.865 38.460 -0.017 0.000 1.323 847 Y HN 0.293 nan 8.280 nan 0.000 0.590 848 I N 7.930 128.160 120.570 -0.567 0.000 2.529 848 I HA 0.252 4.412 4.170 -0.016 0.000 0.284 848 I C -2.472 173.288 176.117 -0.596 0.000 1.088 848 I CA -2.200 58.901 61.300 -0.332 0.000 1.062 848 I CB 1.777 39.669 38.000 -0.181 0.000 1.218 848 I HN 0.511 nan 8.210 nan 0.000 0.442 849 P HA 0.052 nan 4.420 nan 0.000 0.266 849 P C -0.164 176.978 177.300 -0.265 0.000 1.195 849 P CA 0.032 63.000 63.100 -0.220 0.000 0.768 849 P CB 0.653 32.323 31.700 -0.050 0.000 0.838 850 D N 1.419 121.681 120.400 -0.229 0.000 2.149 850 D HA -0.198 4.432 4.640 -0.016 0.000 0.198 850 D C 1.264 177.468 176.300 -0.161 0.000 0.990 850 D CA 1.406 55.301 54.000 -0.175 0.000 0.839 850 D CB -0.672 40.056 40.800 -0.119 0.000 0.948 850 D HN 0.481 nan 8.370 nan 0.000 0.460 851 D N 1.024 121.295 120.400 -0.214 0.000 2.126 851 D HA -0.252 4.379 4.640 -0.016 0.000 0.190 851 D C 1.252 177.491 176.300 -0.101 0.000 1.001 851 D CA 1.418 55.295 54.000 -0.205 0.000 0.841 851 D CB -1.152 39.450 40.800 -0.331 0.000 0.949 851 D HN 0.478 nan 8.370 nan 0.000 0.446 852 H N 0.492 119.565 119.070 0.005 0.000 2.536 852 H HA 0.150 4.696 4.556 -0.016 0.000 0.276 852 H C 1.832 177.152 175.328 -0.012 0.000 1.019 852 H CA -0.226 55.865 56.048 0.072 0.000 1.159 852 H CB 0.176 30.031 29.762 0.156 0.000 1.373 852 H HN 0.256 nan 8.280 nan 0.000 0.584 853 Q N 0.649 120.447 119.800 -0.002 0.000 2.170 853 Q HA -0.149 4.182 4.340 -0.016 0.000 0.203 853 Q C 0.961 176.916 176.000 -0.076 0.000 0.976 853 Q CA 1.162 56.937 55.803 -0.046 0.000 0.858 853 Q CB 0.131 28.820 28.738 -0.082 0.000 0.907 853 Q HN 0.673 nan 8.270 nan 0.000 0.433 854 D N -0.157 120.139 120.400 -0.173 0.000 2.194 854 D HA -0.105 4.526 4.640 -0.016 0.000 0.204 854 D C 1.707 177.888 176.300 -0.198 0.000 0.964 854 D CA 0.890 54.752 54.000 -0.229 0.000 0.846 854 D CB -0.115 40.490 40.800 -0.326 0.000 0.962 854 D HN 0.267 nan 8.370 nan 0.000 0.490 855 Y N 2.066 122.335 120.300 -0.052 0.000 2.133 855 Y HA -0.097 4.444 4.550 -0.016 0.000 0.287 855 Y C 2.713 178.579 175.900 -0.056 0.000 1.134 855 Y CA 0.380 58.441 58.100 -0.065 0.000 1.133 855 Y CB -1.214 37.214 38.460 -0.053 0.000 0.987 855 Y HN -0.097 nan 8.280 nan 0.000 0.502 856 A N 0.626 123.524 122.820 0.131 0.000 1.893 856 A HA -0.343 3.968 4.320 -0.016 0.000 0.222 856 A C 2.203 179.799 177.584 0.020 0.000 1.309 856 A CA 2.525 54.595 52.037 0.056 0.000 0.681 856 A CB -0.948 18.070 19.000 0.029 0.000 0.842 856 A HN 0.438 nan 8.150 nan 0.000 0.468 857 E N -0.600 119.595 120.200 -0.010 0.000 2.160 857 E HA -0.161 4.179 4.350 -0.016 0.000 0.195 857 E C 2.336 178.928 176.600 -0.012 0.000 0.991 857 E CA 1.291 57.679 56.400 -0.020 0.000 0.810 857 E CB -0.659 29.015 29.700 -0.043 0.000 0.742 857 E HN 0.652 nan 8.360 nan 0.000 0.466 858 A N 0.905 123.710 122.820 -0.026 0.000 1.898 858 A HA -0.119 4.191 4.320 -0.016 0.000 0.216 858 A C 2.381 179.991 177.584 0.045 0.000 1.181 858 A CA 0.967 52.995 52.037 -0.014 0.000 0.620 858 A CB -0.567 18.389 19.000 -0.073 0.000 0.819 858 A HN 0.175 nan 8.150 nan 0.000 0.442 859 L N -1.048 120.198 121.223 0.038 0.000 2.005 859 L HA -0.163 4.167 4.340 -0.016 0.000 0.207 859 L C 2.430 179.317 176.870 0.028 0.000 1.072 859 L CA 1.158 56.019 54.840 0.035 0.000 0.744 859 L CB -0.640 41.435 42.059 0.027 0.000 0.895 859 L HN 0.270 nan 8.230 nan 0.000 0.433 860 I N -0.217 120.366 120.570 0.021 0.000 2.248 860 I HA -0.271 3.890 4.170 -0.016 0.000 0.248 860 I C 1.232 177.361 176.117 0.020 0.000 1.107 860 I CA 1.514 62.824 61.300 0.016 0.000 1.373 860 I CB -0.214 37.791 38.000 0.008 0.000 1.055 860 I HN 0.283 nan 8.210 nan 0.000 0.418 861 N N -0.498 118.219 118.700 0.028 0.000 2.697 861 N HA 0.150 4.880 4.740 -0.016 0.000 0.253 861 N C -2.004 173.541 175.510 0.058 0.000 1.604 861 N CA -0.864 52.207 53.050 0.035 0.000 0.772 861 N CB 0.967 39.470 38.487 0.027 0.000 1.267 861 N HN -0.019 nan 8.380 nan 0.000 0.510 862 P HA -0.071 nan 4.420 nan 0.000 0.215 862 P C 1.671 179.018 177.300 0.080 0.000 1.157 862 P CA 0.682 63.841 63.100 0.098 0.000 0.863 862 P CB 0.657 32.402 31.700 0.075 0.000 0.787 863 I N -0.169 120.429 120.570 0.046 0.000 2.623 863 I HA -0.239 3.921 4.170 -0.016 0.000 0.261 863 I C 2.560 178.695 176.117 0.029 0.000 1.204 863 I CA 1.492 62.809 61.300 0.028 0.000 1.444 863 I CB -0.504 37.508 38.000 0.019 0.000 1.094 863 I HN 0.108 nan 8.210 nan 0.000 0.451 864 K N 0.409 120.841 120.400 0.052 0.000 2.141 864 K HA -0.146 4.165 4.320 -0.016 0.000 0.202 864 K C 2.364 179.013 176.600 0.083 0.000 1.045 864 K CA 0.530 56.850 56.287 0.054 0.000 0.971 864 K CB -0.235 32.297 32.500 0.053 0.000 0.795 864 K HN 0.313 nan 8.250 nan 0.000 0.459 865 H N 0.014 119.089 119.070 0.008 0.000 2.387 865 H HA -0.095 4.451 4.556 -0.016 0.000 0.299 865 H C 1.711 177.046 175.328 0.010 0.000 1.099 865 H CA 1.528 57.582 56.048 0.010 0.000 1.315 865 H CB 0.394 30.166 29.762 0.017 0.000 1.380 865 H HN 0.075 nan 8.280 nan 0.000 0.513 866 V N -0.093 119.718 119.914 -0.173 0.000 2.591 866 V HA -0.164 3.946 4.120 -0.016 0.000 0.249 866 V C 2.729 178.744 176.094 -0.131 0.000 1.053 866 V CA 1.565 63.724 62.300 -0.236 0.000 1.068 866 V CB -0.081 31.673 31.823 -0.116 0.000 0.689 866 V HN 0.405 nan 8.190 nan 0.000 0.462 867 S N -0.336 115.326 115.700 -0.063 0.000 2.402 867 S HA -0.150 4.310 4.470 -0.016 0.000 0.229 867 S C 1.885 176.466 174.600 -0.031 0.000 1.021 867 S CA 1.730 59.909 58.200 -0.034 0.000 0.974 867 S CB -0.197 62.997 63.200 -0.010 0.000 0.800 867 S HN 0.426 nan 8.310 nan 0.000 0.484 868 L N 1.696 122.904 121.223 -0.025 0.000 1.988 868 L HA 0.061 4.392 4.340 -0.016 0.000 0.207 868 L C 2.252 179.104 176.870 -0.030 0.000 1.071 868 L CA 1.914 56.748 54.840 -0.010 0.000 0.744 868 L CB -0.799 41.275 42.059 0.023 0.000 0.893 868 L HN 0.231 nan 8.230 nan 0.000 0.433 869 M N -0.285 119.273 119.600 -0.070 0.000 2.116 869 M HA -0.285 4.185 4.480 -0.016 0.000 0.255 869 M C 1.884 178.152 176.300 -0.054 0.000 1.075 869 M CA 1.833 57.086 55.300 -0.077 0.000 1.087 869 M CB -1.521 30.982 32.600 -0.162 0.000 1.340 869 M HN 0.353 nan 8.290 nan 0.000 0.402 870 D N -0.938 119.429 120.400 -0.056 0.000 2.249 870 D HA -0.089 4.542 4.640 -0.016 0.000 0.205 870 D C 2.009 178.294 176.300 -0.025 0.000 0.962 870 D CA 0.527 54.503 54.000 -0.039 0.000 0.860 870 D CB -0.219 40.557 40.800 -0.040 0.000 0.955 870 D HN 0.515 nan 8.370 nan 0.000 0.505 871 Q N 0.535 120.322 119.800 -0.022 0.000 2.124 871 Q HA -0.144 4.187 4.340 -0.016 0.000 0.202 871 Q C 1.917 177.911 176.000 -0.010 0.000 0.977 871 Q CA 1.026 56.821 55.803 -0.013 0.000 0.850 871 Q CB 0.293 29.026 28.738 -0.009 0.000 0.901 871 Q HN 0.058 nan 8.270 nan 0.000 0.429 872 R N -0.216 120.277 120.500 -0.011 0.000 2.066 872 R HA -0.045 4.285 4.340 -0.016 0.000 0.232 872 R C 2.174 178.469 176.300 -0.008 0.000 1.131 872 R CA 1.183 57.278 56.100 -0.007 0.000 0.955 872 R CB -0.913 29.384 30.300 -0.005 0.000 0.851 872 R HN 0.309 nan 8.270 nan 0.000 0.432 873 A N 1.426 124.239 122.820 -0.012 0.000 1.972 873 A HA -0.182 4.129 4.320 -0.016 0.000 0.219 873 A C 2.274 179.852 177.584 -0.009 0.000 1.169 873 A CA 1.554 53.584 52.037 -0.011 0.000 0.635 873 A CB -0.448 18.543 19.000 -0.015 0.000 0.810 873 A HN 0.273 nan 8.150 nan 0.000 0.446 874 R N -0.614 119.880 120.500 -0.010 0.000 2.115 874 R HA -0.084 4.246 4.340 -0.016 0.000 0.226 874 R C 2.081 178.377 176.300 -0.006 0.000 1.100 874 R CA 1.530 57.625 56.100 -0.008 0.000 0.980 874 R CB -0.236 30.058 30.300 -0.009 0.000 0.875 874 R HN 0.633 nan 8.270 nan 0.000 0.445 875 Q N -0.359 119.438 119.800 -0.005 0.000 2.311 875 Q HA -0.019 4.311 4.340 -0.016 0.000 0.203 875 Q C 0.591 176.589 176.000 -0.003 0.000 0.954 875 Q CA 0.556 56.357 55.803 -0.004 0.000 0.885 875 Q CB 0.390 29.126 28.738 -0.003 0.000 0.963 875 Q HN 0.205 nan 8.270 nan 0.000 0.471 876 L N -0.215 121.006 121.223 -0.003 0.000 2.653 876 L HA 0.176 4.506 4.340 -0.016 0.000 0.232 876 L C 1.306 178.174 176.870 -0.003 0.000 1.169 876 L CA 0.253 55.091 54.840 -0.003 0.000 0.951 876 L CB -0.635 41.423 42.059 -0.002 0.000 1.181 876 L HN 0.080 nan 8.230 nan 0.000 0.460 877 A N 0.190 123.008 122.820 -0.003 0.000 1.832 877 A HA -0.063 4.247 4.320 -0.016 0.000 0.214 877 A C 2.533 180.116 177.584 -0.002 0.000 1.200 877 A CA 1.533 53.568 52.037 -0.003 0.000 0.610 877 A CB -0.783 18.214 19.000 -0.004 0.000 0.842 877 A HN 0.361 nan 8.150 nan 0.000 0.444 878 A N -0.733 122.086 122.820 -0.002 0.000 1.884 878 A HA -0.182 4.128 4.320 -0.016 0.000 0.219 878 A C 2.132 179.715 177.584 -0.002 0.000 1.197 878 A CA 2.072 54.108 52.037 -0.002 0.000 0.637 878 A CB -0.818 18.181 19.000 -0.002 0.000 0.827 878 A HN 0.529 nan 8.150 nan 0.000 0.450 879 L N -0.837 120.385 121.223 -0.001 0.000 2.201 879 L HA -0.009 4.321 4.340 -0.016 0.000 0.212 879 L C 2.131 179.000 176.870 -0.001 0.000 1.105 879 L CA 1.317 56.157 54.840 -0.001 0.000 0.775 879 L CB -0.332 41.727 42.059 -0.001 0.000 0.913 879 L HN 0.426 nan 8.230 nan 0.000 0.440 880 I N -1.291 119.278 120.570 -0.001 0.000 2.761 880 I HA 0.020 4.181 4.170 -0.016 0.000 0.261 880 I C 1.816 177.932 176.117 -0.001 0.000 1.198 880 I CA 0.590 61.889 61.300 -0.001 0.000 1.482 880 I CB -0.747 37.252 38.000 -0.001 0.000 1.100 880 I HN 0.389 nan 8.210 nan 0.000 0.445 881 G N 0.964 109.763 108.800 -0.001 0.000 2.629 881 G HA2 -0.360 3.591 3.960 -0.016 0.000 0.335 881 G HA3 -0.360 3.591 3.960 -0.016 0.000 0.335 881 G C 0.159 175.058 174.900 -0.001 0.000 1.347 881 G CA 0.503 45.602 45.100 -0.001 0.000 0.979 881 G HN 0.505 nan 8.290 nan 0.000 0.534 882 E N 0.000 120.199 120.200 -0.001 0.000 2.725 882 E HA 0.000 4.341 4.350 -0.016 0.000 0.291 882 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 882 E CB 0.000 29.700 29.700 -0.001 0.000 0.812 882 E HN 0.000 nan 8.360 nan 0.000 0.440