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 2oam_1_A DATA FIRST_RESID 2 DATA SEQUENCE SGKIDKILIV GGGTAGWMAA SYLGKALQGT ADITLLQAPD IPTLGVGEAT DATA SEQUENCE IPNLQTAFFD FLGIPEDEWM RECNASYKVA IKFINWRTAG EGTSEARELD DATA SEQUENCE GGPDHFYHSF GLLKYHEQIP LSHYWFDRSY RGKTVEPFDY ACYKEPVILD DATA SEQUENCE ANRSPRRLDG SKVTNYAWHF DAHLVADFLR RFATEKLGVR HVEDRVEHVQ DATA SEQUENCE RDANGNIESV RTATGRVFDA DLFVDCSGFR GLLINKAMEE PFLDMSDHLL DATA SEQUENCE NDSAVATQVP HDDDANGVEP FTSAIAMKSG WTWKIPMLGR FGTGYVYSSR DATA SEQUENCE FATEDEAVRE FCEMWHLDPE TQPLNRIRFR VGRNRRAWVG NCVSIGTSSC DATA SEQUENCE FVEPLESTGI YFVYAALYQL VKHFPDKSLN PVLTARFNRE IETMFDDTRD DATA SEQUENCE FIQAHFYFSP RTDTPFWRAN KELRLADGMQ EKIDMYRAGM AINAPASDDX DATA SEQUENCE XXXYGNFEEE FRNFWNNSNY YCVLAGLGLV PDAPSPRLAH MPQATESVDE DATA SEQUENCE VFGAVKDRQR NLLETLPSLH EFLRQQH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.017 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 G N 1.504 110.317 108.800 0.021 0.000 2.459 3 G HA2 0.189 4.153 3.960 0.006 0.000 0.685 3 G HA3 0.189 4.153 3.960 0.006 0.000 0.685 3 G C -1.011 173.908 174.900 0.032 0.000 1.303 3 G CA -0.191 44.923 45.100 0.023 0.000 0.907 3 G HN 0.936 nan 8.290 nan 0.000 0.632 4 K N -0.094 120.330 120.400 0.040 0.000 2.187 4 K HA 0.561 4.885 4.320 0.006 0.000 0.247 4 K C 0.483 177.120 176.600 0.062 0.000 1.019 4 K CA -0.648 55.677 56.287 0.063 0.000 0.893 4 K CB 0.642 33.182 32.500 0.068 0.000 1.025 4 K HN 0.330 nan 8.250 nan 0.000 0.500 5 I N 2.826 123.457 120.570 0.101 0.000 2.517 5 I HA -0.055 4.119 4.170 0.006 0.000 0.285 5 I C 0.493 176.652 176.117 0.069 0.000 1.106 5 I CA 0.310 61.660 61.300 0.083 0.000 1.402 5 I CB 0.610 38.702 38.000 0.153 0.000 1.399 5 I HN 0.761 nan 8.210 nan 0.000 0.535 6 D N 5.466 125.883 120.400 0.027 0.000 2.323 6 D HA 0.088 4.732 4.640 0.006 0.000 0.218 6 D C 0.417 176.714 176.300 -0.005 0.000 0.973 6 D CA 0.928 54.935 54.000 0.012 0.000 0.890 6 D CB 0.795 41.598 40.800 0.005 0.000 1.011 6 D HN 0.477 nan 8.370 nan 0.000 0.499 7 K N 0.630 121.012 120.400 -0.030 0.000 2.371 7 K HA 0.602 4.926 4.320 0.006 0.000 0.251 7 K C -0.662 175.857 176.600 -0.135 0.000 0.934 7 K CA -0.509 55.738 56.287 -0.066 0.000 0.798 7 K CB 3.055 35.515 32.500 -0.065 0.000 1.204 7 K HN -0.141 nan 8.250 nan 0.000 0.427 8 I N 2.994 123.480 120.570 -0.140 0.000 2.498 8 I HA 0.318 4.492 4.170 0.006 0.000 0.290 8 I C -1.238 174.737 176.117 -0.236 0.000 1.032 8 I CA -1.158 60.019 61.300 -0.205 0.000 1.073 8 I CB 1.838 39.779 38.000 -0.098 0.000 1.251 8 I HN 0.315 nan 8.210 nan 0.000 0.426 9 L N 7.730 128.735 121.223 -0.365 0.000 2.325 9 L HA 0.597 4.941 4.340 0.006 0.000 0.281 9 L C -0.919 175.850 176.870 -0.168 0.000 1.004 9 L CA -0.089 54.600 54.840 -0.251 0.000 0.823 9 L CB 1.283 43.194 42.059 -0.247 0.000 1.236 9 L HN 0.398 nan 8.230 nan 0.000 0.415 10 I N 5.670 126.139 120.570 -0.168 0.000 2.336 10 I HA 0.375 4.549 4.170 0.006 0.000 0.292 10 I C -0.675 175.336 176.117 -0.176 0.000 0.991 10 I CA -0.795 60.400 61.300 -0.176 0.000 1.227 10 I CB 1.714 39.562 38.000 -0.253 0.000 1.366 10 I HN 0.241 nan 8.210 nan 0.000 0.466 11 V N 5.660 125.502 119.914 -0.119 0.000 2.328 11 V HA 0.817 4.940 4.120 0.006 0.000 0.278 11 V C 0.315 176.334 176.094 -0.125 0.000 1.021 11 V CA -0.369 61.867 62.300 -0.106 0.000 0.838 11 V CB 0.870 32.670 31.823 -0.039 0.000 0.999 11 V HN 1.053 nan 8.190 nan 0.000 0.447 12 G N 3.392 112.101 108.800 -0.151 0.000 3.187 12 G HA2 0.315 4.279 3.960 0.006 0.000 0.682 12 G HA3 0.315 4.279 3.960 0.006 0.000 0.682 12 G C -0.087 174.671 174.900 -0.237 0.000 1.266 12 G CA -0.433 44.584 45.100 -0.138 0.000 0.902 12 G HN 1.194 nan 8.290 nan 0.000 0.589 13 G N 0.539 109.242 108.800 -0.161 0.000 4.757 13 G HA2 0.702 4.666 3.960 0.006 0.000 0.303 13 G HA3 0.702 4.666 3.960 0.006 0.000 0.303 13 G C 0.740 175.687 174.900 0.078 0.000 1.318 13 G CA 0.868 45.834 45.100 -0.224 0.000 1.020 13 G HN 1.277 nan 8.290 nan 0.000 0.589 14 G N 0.063 108.890 108.800 0.045 0.000 2.882 14 G HA2 0.357 4.320 3.960 0.006 0.000 0.164 14 G HA3 0.357 4.320 3.960 0.006 0.000 0.164 14 G C 1.151 176.178 174.900 0.211 0.000 1.429 14 G CA 0.589 45.785 45.100 0.160 0.000 1.059 14 G HN 0.086 nan 8.290 nan 0.000 0.581 15 T N 1.037 115.689 114.554 0.163 0.000 2.777 15 T HA 0.020 4.373 4.350 0.006 0.000 0.266 15 T C 2.719 177.467 174.700 0.081 0.000 1.040 15 T CA 1.751 63.943 62.100 0.153 0.000 1.141 15 T CB -0.441 68.500 68.868 0.121 0.000 0.868 15 T HN 0.503 nan 8.240 nan 0.000 0.444 16 A N 1.501 124.332 122.820 0.018 0.000 1.873 16 A HA 0.147 4.470 4.320 0.006 0.000 0.215 16 A C 2.625 180.172 177.584 -0.062 0.000 1.186 16 A CA 1.844 53.861 52.037 -0.033 0.000 0.616 16 A CB -1.438 17.535 19.000 -0.045 0.000 0.823 16 A HN 0.493 nan 8.150 nan 0.000 0.442 17 G N -1.392 107.334 108.800 -0.123 0.000 2.491 17 G HA2 -0.284 3.680 3.960 0.006 0.000 0.218 17 G HA3 -0.284 3.680 3.960 0.006 0.000 0.218 17 G C 1.390 176.070 174.900 -0.367 0.000 1.180 17 G CA 1.021 45.939 45.100 -0.304 0.000 0.774 17 G HN 0.682 nan 8.290 nan 0.000 0.562 18 W N 0.065 121.370 121.300 0.007 0.000 2.678 18 W HA 0.308 4.971 4.660 0.006 0.000 0.256 18 W C 2.801 179.387 176.519 0.112 0.000 1.280 18 W CA -0.076 57.291 57.345 0.036 0.000 1.345 18 W CB -0.018 29.462 29.460 0.033 0.000 1.118 18 W HN 0.110 nan 8.180 nan 0.000 0.629 19 M N -0.368 119.382 119.600 0.251 0.000 2.156 19 M HA -0.102 4.382 4.480 0.006 0.000 0.264 19 M C 2.450 178.917 176.300 0.278 0.000 1.067 19 M CA 1.767 57.228 55.300 0.268 0.000 1.131 19 M CB -0.588 31.983 32.600 -0.048 0.000 1.368 19 M HN 0.047 nan 8.290 nan 0.000 0.416 20 A N 0.426 123.310 122.820 0.106 0.000 1.877 20 A HA -0.072 4.252 4.320 0.006 0.000 0.216 20 A C 2.330 179.977 177.584 0.104 0.000 1.186 20 A CA 1.907 53.986 52.037 0.070 0.000 0.620 20 A CB -1.007 17.967 19.000 -0.044 0.000 0.822 20 A HN 0.489 nan 8.150 nan 0.000 0.443 21 A N -0.505 122.345 122.820 0.050 0.000 1.908 21 A HA -0.116 4.207 4.320 0.006 0.000 0.218 21 A C 2.465 180.159 177.584 0.184 0.000 1.181 21 A CA 2.300 54.377 52.037 0.066 0.000 0.627 21 A CB -0.881 18.139 19.000 0.033 0.000 0.818 21 A HN 0.468 nan 8.150 nan 0.000 0.445 22 S N -2.124 113.754 115.700 0.297 0.000 2.357 22 S HA -0.092 4.382 4.470 0.006 0.000 0.221 22 S C 1.868 176.631 174.600 0.270 0.000 1.031 22 S CA 1.278 59.670 58.200 0.321 0.000 0.982 22 S CB -0.530 62.921 63.200 0.419 0.000 0.853 22 S HN 0.652 nan 8.310 nan 0.000 0.458 23 Y N 2.179 122.592 120.300 0.189 0.000 2.133 23 Y HA -0.031 4.523 4.550 0.006 0.000 0.287 23 Y C 1.968 177.941 175.900 0.120 0.000 1.134 23 Y CA 1.332 59.520 58.100 0.147 0.000 1.133 23 Y CB -0.324 38.194 38.460 0.095 0.000 0.987 23 Y HN 0.122 nan 8.280 nan 0.000 0.502 24 L N -1.059 120.312 121.223 0.248 0.000 2.093 24 L HA -0.142 4.201 4.340 0.006 0.000 0.208 24 L C 2.667 179.543 176.870 0.010 0.000 1.085 24 L CA 1.152 56.047 54.840 0.091 0.000 0.755 24 L CB -1.191 40.900 42.059 0.054 0.000 0.904 24 L HN 0.367 nan 8.230 nan 0.000 0.435 25 G N 0.129 108.950 108.800 0.034 0.000 2.422 25 G HA2 -0.312 3.652 3.960 0.006 0.000 0.218 25 G HA3 -0.312 3.652 3.960 0.006 0.000 0.218 25 G C 1.691 176.562 174.900 -0.049 0.000 1.146 25 G CA 0.928 46.019 45.100 -0.015 0.000 0.769 25 G HN 0.189 nan 8.290 nan 0.000 0.547 26 K N 0.840 121.228 120.400 -0.020 0.000 2.076 26 K HA 0.279 4.603 4.320 0.006 0.000 0.204 26 K C 2.683 179.201 176.600 -0.137 0.000 1.051 26 K CA 1.316 57.547 56.287 -0.093 0.000 0.949 26 K CB -0.528 31.911 32.500 -0.102 0.000 0.726 26 K HN 0.145 nan 8.250 nan 0.000 0.443 27 A N 0.335 123.137 122.820 -0.030 0.000 1.930 27 A HA 0.006 4.330 4.320 0.006 0.000 0.217 27 A C 1.517 179.024 177.584 -0.128 0.000 1.175 27 A CA 1.288 53.315 52.037 -0.018 0.000 0.627 27 A CB -0.410 18.609 19.000 0.031 0.000 0.815 27 A HN 0.288 nan 8.150 nan 0.000 0.443 28 L N -0.177 120.954 121.223 -0.154 0.000 2.928 28 L HA 0.182 4.525 4.340 0.006 0.000 0.246 28 L C 0.406 177.205 176.870 -0.119 0.000 1.239 28 L CA -0.415 54.321 54.840 -0.173 0.000 1.035 28 L CB -0.198 41.729 42.059 -0.220 0.000 1.360 28 L HN 0.352 nan 8.230 nan 0.000 0.529 29 Q N 1.644 121.375 119.800 -0.114 0.000 2.362 29 Q HA 0.001 4.345 4.340 0.006 0.000 0.305 29 Q C 1.272 177.222 176.000 -0.084 0.000 1.120 29 Q CA 1.174 56.916 55.803 -0.101 0.000 1.011 29 Q CB 0.343 29.011 28.738 -0.115 0.000 1.048 29 Q HN 0.622 nan 8.270 nan 0.000 0.386 30 G N 2.613 111.370 108.800 -0.072 0.000 2.179 30 G HA2 -0.305 3.658 3.960 0.006 0.000 0.260 30 G HA3 -0.305 3.658 3.960 0.006 0.000 0.260 30 G C 0.523 175.395 174.900 -0.047 0.000 0.977 30 G CA 0.653 45.718 45.100 -0.057 0.000 0.641 30 G HN 0.706 nan 8.290 nan 0.000 0.533 31 T N -3.432 111.091 114.554 -0.052 0.000 3.145 31 T HA 0.769 5.123 4.350 0.006 0.000 0.281 31 T C 0.369 175.053 174.700 -0.028 0.000 1.003 31 T CA 0.996 63.073 62.100 -0.039 0.000 0.901 31 T CB 0.902 69.744 68.868 -0.044 0.000 1.112 31 T HN 1.960 nan 8.240 nan 0.000 0.535 32 A N 0.642 123.443 122.820 -0.032 0.000 2.577 32 A HA 0.600 4.924 4.320 0.006 0.000 0.297 32 A C -1.970 175.600 177.584 -0.024 0.000 1.060 32 A CA -0.850 51.175 52.037 -0.019 0.000 0.697 32 A CB 1.160 20.151 19.000 -0.015 0.000 1.281 32 A HN 0.200 nan 8.150 nan 0.000 0.402 33 D N 1.811 122.200 120.400 -0.018 0.000 2.274 33 D HA 0.533 5.177 4.640 0.006 0.000 0.239 33 D C -0.483 175.803 176.300 -0.022 0.000 1.104 33 D CA 0.406 54.397 54.000 -0.015 0.000 0.840 33 D CB 1.322 42.119 40.800 -0.006 0.000 1.100 33 D HN 0.447 nan 8.370 nan 0.000 0.477 34 I N 1.426 121.985 120.570 -0.019 0.000 2.404 34 I HA 0.263 4.436 4.170 0.006 0.000 0.293 34 I C 0.197 176.304 176.117 -0.017 0.000 0.992 34 I CA -0.404 60.877 61.300 -0.033 0.000 1.149 34 I CB 1.957 39.937 38.000 -0.034 0.000 1.315 34 I HN 0.016 nan 8.210 nan 0.000 0.446 35 T N 6.749 121.277 114.554 -0.043 0.000 2.876 35 T HA 0.565 4.919 4.350 0.006 0.000 0.289 35 T C -0.821 173.798 174.700 -0.136 0.000 1.014 35 T CA -0.493 61.584 62.100 -0.039 0.000 0.986 35 T CB 2.002 70.877 68.868 0.011 0.000 1.021 35 T HN 0.373 nan 8.240 nan 0.000 0.458 36 L N 3.494 124.622 121.223 -0.158 0.000 2.362 36 L HA 0.699 5.043 4.340 0.006 0.000 0.275 36 L C -1.716 175.036 176.870 -0.198 0.000 0.998 36 L CA -1.023 53.644 54.840 -0.289 0.000 0.820 36 L CB 1.068 42.749 42.059 -0.630 0.000 1.270 36 L HN 0.430 nan 8.230 nan 0.000 0.415 37 L N 4.920 126.005 121.223 -0.230 0.000 2.287 37 L HA 0.534 4.877 4.340 0.006 0.000 0.287 37 L C -0.574 176.243 176.870 -0.090 0.000 1.022 37 L CA 0.168 54.900 54.840 -0.180 0.000 0.814 37 L CB 1.621 43.523 42.059 -0.261 0.000 1.217 37 L HN 0.702 nan 8.230 nan 0.000 0.420 38 Q N 3.353 123.171 119.800 0.029 0.000 2.320 38 Q HA 0.909 5.253 4.340 0.006 0.000 0.272 38 Q C -1.724 174.340 176.000 0.106 0.000 1.023 38 Q CA -0.921 54.924 55.803 0.070 0.000 0.855 38 Q CB 2.039 30.853 28.738 0.126 0.000 1.367 38 Q HN 0.581 nan 8.270 nan 0.000 0.406 39 A N 2.599 125.460 122.820 0.069 0.000 2.330 39 A HA 0.866 5.190 4.320 0.006 0.000 0.329 39 A C -2.534 175.091 177.584 0.069 0.000 1.135 39 A CA -1.814 50.261 52.037 0.063 0.000 0.817 39 A CB 0.571 19.595 19.000 0.039 0.000 1.269 39 A HN 0.661 nan 8.150 nan 0.000 0.469 40 P HA 0.318 nan 4.420 nan 0.000 0.267 40 P C -1.060 176.266 177.300 0.043 0.000 1.205 40 P CA 0.465 63.598 63.100 0.054 0.000 0.765 40 P CB 0.488 32.214 31.700 0.042 0.000 0.828 41 D N 1.469 121.895 120.400 0.043 0.000 2.340 41 D HA 0.342 4.986 4.640 0.006 0.000 0.243 41 D C 0.110 176.427 176.300 0.029 0.000 0.988 41 D CA -0.490 53.532 54.000 0.037 0.000 0.959 41 D CB 0.875 41.701 40.800 0.043 0.000 1.226 41 D HN 0.113 nan 8.370 nan 0.000 0.509 42 I N 2.459 123.046 120.570 0.029 0.000 2.598 42 I HA 0.102 4.276 4.170 0.006 0.000 0.284 42 I C -1.716 174.414 176.117 0.021 0.000 1.140 42 I CA -1.298 60.017 61.300 0.024 0.000 1.420 42 I CB -0.360 37.656 38.000 0.027 0.000 1.387 42 I HN 0.122 nan 8.210 nan 0.000 0.553 43 P HA 0.125 nan 4.420 nan 0.000 0.267 43 P C -0.286 177.022 177.300 0.012 0.000 1.200 43 P CA 0.009 63.096 63.100 -0.021 0.000 0.772 43 P CB 0.474 32.158 31.700 -0.027 0.000 0.855 44 T N -0.750 113.813 114.554 0.015 0.000 2.907 44 T HA 0.614 4.968 4.350 0.006 0.000 0.290 44 T C -0.122 174.697 174.700 0.198 0.000 1.066 44 T CA -1.005 61.172 62.100 0.129 0.000 1.012 44 T CB 0.591 69.592 68.868 0.221 0.000 1.184 44 T HN 0.087 nan 8.240 nan 0.000 0.522 45 L N 0.920 122.272 121.223 0.214 0.000 2.453 45 L HA 0.532 4.876 4.340 0.006 0.000 0.261 45 L C 1.325 178.380 176.870 0.308 0.000 1.179 45 L CA -0.625 54.344 54.840 0.216 0.000 0.813 45 L CB 0.462 42.609 42.059 0.146 0.000 1.110 45 L HN 1.040 nan 8.230 nan 0.000 0.466 46 G N 0.912 109.871 108.800 0.266 0.000 2.915 46 G HA2 0.323 4.287 3.960 0.006 0.000 0.298 46 G HA3 0.323 4.287 3.960 0.006 0.000 0.298 46 G C 0.795 175.793 174.900 0.164 0.000 0.837 46 G CA -0.302 44.918 45.100 0.200 0.000 1.752 46 G HN 0.588 nan 8.290 nan 0.000 0.526 47 V N 0.693 120.728 119.914 0.202 0.000 3.573 47 V HA 0.522 4.646 4.120 0.006 0.000 0.270 47 V C 1.145 177.467 176.094 0.379 0.000 1.221 47 V CA 0.097 62.587 62.300 0.318 0.000 1.163 47 V CB -1.373 30.721 31.823 0.451 0.000 0.847 47 V HN 1.464 nan 8.190 nan 0.000 0.468 48 G N -0.103 108.805 108.800 0.180 0.000 2.719 48 G HA2 -0.027 3.937 3.960 0.006 0.000 0.686 48 G HA3 -0.027 3.937 3.960 0.006 0.000 0.686 48 G C -0.887 173.945 174.900 -0.114 0.000 1.201 48 G CA -0.399 44.746 45.100 0.075 0.000 0.768 48 G HN 0.478 nan 8.290 nan 0.000 0.629 49 E N -0.284 119.794 120.200 -0.203 0.000 2.275 49 E HA 0.663 5.017 4.350 0.006 0.000 0.270 49 E C 0.157 176.556 176.600 -0.335 0.000 0.882 49 E CA -0.152 56.056 56.400 -0.319 0.000 0.758 49 E CB 2.110 31.602 29.700 -0.347 0.000 1.195 49 E HN 1.300 nan 8.360 nan 0.000 0.419 50 A N 1.840 124.566 122.820 -0.156 0.000 2.325 50 A HA 0.815 5.139 4.320 0.006 0.000 0.333 50 A C 0.169 177.789 177.584 0.059 0.000 1.155 50 A CA -0.340 51.737 52.037 0.066 0.000 0.814 50 A CB 1.107 20.205 19.000 0.163 0.000 1.206 50 A HN 0.633 nan 8.150 nan 0.000 0.482 51 T N -1.393 113.270 114.554 0.180 0.000 2.693 51 T HA 0.788 5.142 4.350 0.006 0.000 0.278 51 T C -0.161 174.729 174.700 0.316 0.000 0.994 51 T CA -0.207 62.064 62.100 0.285 0.000 1.033 51 T CB 0.697 69.842 68.868 0.461 0.000 1.342 51 T HN 1.291 nan 8.240 nan 0.000 0.538 52 I N -2.762 117.984 120.570 0.294 0.000 2.934 52 I HA 0.573 4.747 4.170 0.006 0.000 0.306 52 I C -2.511 173.566 176.117 -0.067 0.000 1.110 52 I CA -3.279 58.025 61.300 0.006 0.000 1.019 52 I CB 2.105 40.191 38.000 0.144 0.000 1.227 52 I HN 0.293 nan 8.210 nan 0.000 0.434 53 P HA -0.233 nan 4.420 nan 0.000 0.217 53 P C 0.766 178.111 177.300 0.074 0.000 1.158 53 P CA 2.112 64.921 63.100 -0.485 0.000 0.887 53 P CB -0.313 30.607 31.700 -1.301 0.000 0.792 54 N N -0.570 118.252 118.700 0.203 0.000 2.609 54 N HA -0.115 4.628 4.740 0.006 0.000 0.190 54 N C 1.324 176.929 175.510 0.158 0.000 1.157 54 N CA 0.404 53.643 53.050 0.316 0.000 0.918 54 N CB -1.373 37.421 38.487 0.511 0.000 0.978 54 N HN 0.126 nan 8.380 nan 0.000 0.448 55 L N -0.460 120.883 121.223 0.200 0.000 2.131 55 L HA -0.093 4.251 4.340 0.006 0.000 0.210 55 L C 2.262 179.076 176.870 -0.093 0.000 1.092 55 L CA 1.729 56.508 54.840 -0.103 0.000 0.759 55 L CB -0.718 41.463 42.059 0.204 0.000 0.903 55 L HN 0.216 nan 8.230 nan 0.000 0.435 56 Q N -0.684 119.173 119.800 0.095 0.000 2.033 56 Q HA -0.114 4.230 4.340 0.006 0.000 0.196 56 Q C 2.232 178.314 176.000 0.136 0.000 0.970 56 Q CA 2.453 58.343 55.803 0.145 0.000 0.828 56 Q CB -0.518 28.370 28.738 0.250 0.000 0.895 56 Q HN 0.661 nan 8.270 nan 0.000 0.440 57 T N -2.246 112.397 114.554 0.149 0.000 2.857 57 T HA 0.097 4.451 4.350 0.006 0.000 0.266 57 T C 1.698 176.474 174.700 0.127 0.000 1.048 57 T CA 1.033 63.223 62.100 0.150 0.000 1.139 57 T CB -0.331 68.650 68.868 0.189 0.000 0.874 57 T HN 0.252 nan 8.240 nan 0.000 0.455 58 A N -0.979 121.877 122.820 0.059 0.000 2.147 58 A HA 0.535 4.858 4.320 0.006 0.000 0.211 58 A C 1.589 179.113 177.584 -0.101 0.000 1.160 58 A CA 0.033 52.049 52.037 -0.035 0.000 0.781 58 A CB -0.358 18.603 19.000 -0.066 0.000 0.842 58 A HN 0.491 nan 8.150 nan 0.000 0.475 59 F N -1.967 117.755 119.950 -0.381 0.000 2.444 59 F HA 0.320 4.850 4.527 0.007 0.000 0.263 59 F C 1.485 177.132 175.800 -0.256 0.000 0.912 59 F CA 0.027 57.786 58.000 -0.401 0.000 1.122 59 F CB -0.338 38.163 39.000 -0.833 0.000 1.246 59 F HN 0.087 nan 8.300 nan 0.000 0.752 60 F N 1.719 121.482 119.950 -0.312 0.000 2.161 60 F HA -0.161 4.369 4.527 0.006 0.000 0.300 60 F C 2.200 177.862 175.800 -0.231 0.000 1.089 60 F CA 1.735 59.492 58.000 -0.405 0.000 1.282 60 F CB -0.910 37.862 39.000 -0.379 0.000 1.010 60 F HN 0.069 nan 8.300 nan 0.000 0.485 61 D N -0.616 119.824 120.400 0.066 0.000 2.117 61 D HA -0.204 4.440 4.640 0.006 0.000 0.198 61 D C 2.122 178.427 176.300 0.009 0.000 0.982 61 D CA 0.996 55.030 54.000 0.057 0.000 0.828 61 D CB -0.681 40.176 40.800 0.094 0.000 0.967 61 D HN 0.235 nan 8.370 nan 0.000 0.464 62 F N 1.037 120.902 119.950 -0.143 0.000 2.161 62 F HA -0.126 4.404 4.527 0.006 0.000 0.300 62 F C 1.924 177.573 175.800 -0.253 0.000 1.089 62 F CA 1.161 59.045 58.000 -0.193 0.000 1.282 62 F CB -0.081 38.784 39.000 -0.226 0.000 1.010 62 F HN -0.077 nan 8.300 nan 0.000 0.485 63 L N -0.159 120.958 121.223 -0.177 0.000 2.395 63 L HA 0.114 4.458 4.340 0.006 0.000 0.218 63 L C 1.676 178.459 176.870 -0.145 0.000 1.130 63 L CA 0.750 55.464 54.840 -0.211 0.000 0.826 63 L CB -1.086 40.741 42.059 -0.386 0.000 0.941 63 L HN 0.434 nan 8.230 nan 0.000 0.451 64 G N 1.184 109.906 108.800 -0.131 0.000 2.171 64 G HA2 -0.262 3.702 3.960 0.006 0.000 0.238 64 G HA3 -0.262 3.702 3.960 0.006 0.000 0.238 64 G C -0.040 174.835 174.900 -0.042 0.000 1.039 64 G CA -0.262 44.797 45.100 -0.069 0.000 0.759 64 G HN 0.293 nan 8.290 nan 0.000 0.501 65 I N 1.029 121.570 120.570 -0.047 0.000 2.355 65 I HA 0.297 4.471 4.170 0.006 0.000 0.288 65 I C -2.137 174.013 176.117 0.055 0.000 0.999 65 I CA -2.531 58.763 61.300 -0.011 0.000 1.163 65 I CB 2.033 40.014 38.000 -0.031 0.000 1.316 65 I HN -0.139 nan 8.210 nan 0.000 0.454 66 P HA 0.029 nan 4.420 nan 0.000 0.269 66 P C 0.702 177.996 177.300 -0.010 0.000 1.209 66 P CA -0.104 63.013 63.100 0.029 0.000 0.776 66 P CB 0.838 32.540 31.700 0.003 0.000 0.876 67 E N 1.863 122.062 120.200 -0.002 0.000 2.065 67 E HA -0.316 4.038 4.350 0.006 0.000 0.201 67 E C 0.883 177.155 176.600 -0.546 0.000 1.016 67 E CA 1.751 58.041 56.400 -0.184 0.000 0.818 67 E CB -0.137 29.601 29.700 0.064 0.000 0.749 67 E HN 0.416 nan 8.360 nan 0.000 0.453 68 D N 0.078 120.318 120.400 -0.267 0.000 2.178 68 D HA -0.182 4.462 4.640 0.006 0.000 0.201 68 D C 1.772 177.861 176.300 -0.351 0.000 0.980 68 D CA 0.933 54.763 54.000 -0.284 0.000 0.842 68 D CB -0.256 40.467 40.800 -0.127 0.000 0.948 68 D HN 0.386 nan 8.370 nan 0.000 0.472 69 E N 0.396 120.434 120.200 -0.270 0.000 2.031 69 E HA -0.148 4.206 4.350 0.006 0.000 0.193 69 E C 2.254 178.626 176.600 -0.379 0.000 0.994 69 E CA 1.198 57.478 56.400 -0.199 0.000 0.800 69 E CB -0.193 29.486 29.700 -0.035 0.000 0.752 69 E HN 0.484 nan 8.360 nan 0.000 0.447 70 W N 0.077 120.949 121.300 -0.713 0.000 2.476 70 W HA -0.045 4.618 4.660 0.005 0.000 0.281 70 W C 1.719 177.706 176.519 -0.885 0.000 1.230 70 W CA 0.162 56.745 57.345 -1.269 0.000 1.287 70 W CB -0.699 27.741 29.460 -1.700 0.000 1.108 70 W HN 0.065 nan 8.180 nan 0.000 0.567 71 M N 1.297 119.998 119.600 -1.499 0.000 2.065 71 M HA -0.192 4.292 4.480 0.006 0.000 0.259 71 M C 2.560 178.524 176.300 -0.560 0.000 1.069 71 M CA 1.972 56.554 55.300 -1.197 0.000 1.110 71 M CB -0.598 31.370 32.600 -1.053 0.000 1.328 71 M HN -0.137 nan 8.290 nan 0.000 0.405 72 R N 0.448 120.684 120.500 -0.441 0.000 2.103 72 R HA -0.156 4.188 4.340 0.006 0.000 0.242 72 R C 1.609 177.797 176.300 -0.187 0.000 1.142 72 R CA 1.429 57.377 56.100 -0.253 0.000 0.960 72 R CB -0.834 29.342 30.300 -0.206 0.000 0.858 72 R HN 0.601 nan 8.270 nan 0.000 0.439 73 E N -0.540 119.524 120.200 -0.228 0.000 2.481 73 E HA -0.008 4.346 4.350 0.006 0.000 0.195 73 E C 0.976 177.520 176.600 -0.092 0.000 1.047 73 E CA 0.270 56.599 56.400 -0.119 0.000 0.867 73 E CB 0.243 29.912 29.700 -0.051 0.000 0.858 73 E HN 0.280 nan 8.360 nan 0.000 0.513 74 C N 1.093 120.300 119.300 -0.154 0.000 3.104 74 C HA 0.176 4.640 4.460 0.006 0.000 0.284 74 C C 0.196 175.198 174.990 0.021 0.000 1.326 74 C CA -0.782 58.206 59.018 -0.050 0.000 1.725 74 C CB -0.886 26.802 27.740 -0.085 0.000 2.156 74 C HN 0.370 nan 8.230 nan 0.000 0.638 75 N N 1.641 120.324 118.700 -0.029 0.000 2.699 75 N HA -0.174 4.570 4.740 0.006 0.000 0.256 75 N C -0.001 175.547 175.510 0.063 0.000 0.993 75 N CA 1.150 54.208 53.050 0.012 0.000 0.759 75 N CB -0.863 37.658 38.487 0.057 0.000 0.906 75 N HN 0.738 nan 8.380 nan 0.000 0.541 76 A N -0.506 122.315 122.820 0.002 0.000 2.322 76 A HA 0.650 4.974 4.320 0.006 0.000 0.269 76 A C 0.720 178.304 177.584 -0.000 0.000 1.094 76 A CA -0.014 52.084 52.037 0.101 0.000 0.807 76 A CB 1.200 20.241 19.000 0.069 0.000 1.047 76 A HN 0.315 nan 8.150 nan 0.000 0.487 77 S N -0.683 115.064 115.700 0.079 0.000 2.798 77 S HA 0.754 5.228 4.470 0.006 0.000 0.312 77 S C -1.225 173.261 174.600 -0.190 0.000 1.122 77 S CA -0.437 57.757 58.200 -0.009 0.000 0.949 77 S CB 0.462 63.763 63.200 0.168 0.000 1.235 77 S HN 0.466 nan 8.310 nan 0.000 0.552 78 Y N 1.267 121.549 120.300 -0.031 0.000 2.420 78 Y HA 0.556 5.110 4.550 0.006 0.000 0.334 78 Y C 0.355 176.052 175.900 -0.337 0.000 1.094 78 Y CA -0.522 57.431 58.100 -0.245 0.000 1.126 78 Y CB 1.234 39.467 38.460 -0.379 0.000 1.217 78 Y HN 0.496 nan 8.280 nan 0.000 0.462 79 K N 1.626 121.877 120.400 -0.248 0.000 2.426 79 K HA 0.555 4.879 4.320 0.006 0.000 0.254 79 K C -1.063 175.580 176.600 0.072 0.000 0.936 79 K CA -0.385 55.749 56.287 -0.255 0.000 0.801 79 K CB 1.562 33.757 32.500 -0.509 0.000 1.139 79 K HN 0.635 nan 8.250 nan 0.000 0.424 80 V N 1.942 121.909 119.914 0.089 0.000 3.635 80 V HA 0.344 4.468 4.120 0.006 0.000 0.266 80 V C 0.171 176.204 176.094 -0.101 0.000 1.316 80 V CA 0.775 63.140 62.300 0.109 0.000 1.060 80 V CB 0.572 32.406 31.823 0.018 0.000 0.820 80 V HN 0.865 nan 8.190 nan 0.000 0.447 81 A N -0.514 122.212 122.820 -0.157 0.000 2.438 81 A HA 0.734 5.058 4.320 0.006 0.000 0.301 81 A C -1.824 175.661 177.584 -0.165 0.000 1.101 81 A CA -0.469 51.352 52.037 -0.359 0.000 0.621 81 A CB 0.910 19.764 19.000 -0.244 0.000 1.350 81 A HN 0.031 nan 8.150 nan 0.000 0.496 82 I N 1.001 121.434 120.570 -0.227 0.000 2.406 82 I HA 0.382 4.556 4.170 0.006 0.000 0.290 82 I C -0.087 175.809 176.117 -0.368 0.000 0.999 82 I CA -0.423 60.712 61.300 -0.274 0.000 1.124 82 I CB 1.897 39.631 38.000 -0.444 0.000 1.289 82 I HN 0.635 nan 8.210 nan 0.000 0.441 83 K N 6.885 127.039 120.400 -0.411 0.000 2.253 83 K HA 0.416 4.740 4.320 0.006 0.000 0.277 83 K C -1.321 174.871 176.600 -0.680 0.000 1.053 83 K CA -0.443 55.458 56.287 -0.644 0.000 0.892 83 K CB 0.627 32.620 32.500 -0.844 0.000 1.102 83 K HN 0.307 nan 8.250 nan 0.000 0.469 84 F N 5.885 125.421 119.950 -0.690 0.000 2.390 84 F HA 0.324 4.855 4.527 0.006 0.000 0.361 84 F C 0.217 175.812 175.800 -0.343 0.000 1.124 84 F CA -0.451 57.110 58.000 -0.731 0.000 1.149 84 F CB 0.583 38.502 39.000 -1.801 0.000 1.160 84 F HN 0.272 nan 8.300 nan 0.000 0.501 85 I N 4.506 125.215 120.570 0.231 0.000 2.354 85 I HA 0.245 4.419 4.170 0.006 0.000 0.292 85 I C -0.134 176.149 176.117 0.276 0.000 0.989 85 I CA -0.720 60.711 61.300 0.218 0.000 1.188 85 I CB 1.134 39.198 38.000 0.108 0.000 1.342 85 I HN 0.575 nan 8.210 nan 0.000 0.457 86 N N 3.969 122.786 118.700 0.194 0.000 2.776 86 N HA -0.215 4.529 4.740 0.006 0.000 0.250 86 N C 0.025 175.523 175.510 -0.019 0.000 1.112 86 N CA 0.880 53.968 53.050 0.062 0.000 0.733 86 N CB -1.134 37.337 38.487 -0.028 0.000 1.097 86 N HN 0.723 nan 8.380 nan 0.000 0.558 87 W N 0.270 121.575 121.300 0.008 0.000 2.905 87 W HA 0.162 4.827 4.660 0.007 0.000 0.251 87 W C 1.882 178.306 176.519 -0.157 0.000 1.305 87 W CA 0.322 57.630 57.345 -0.062 0.000 1.465 87 W CB 0.170 29.703 29.460 0.122 0.000 1.122 87 W HN 0.105 nan 8.180 nan 0.000 0.659 88 R N -0.722 119.840 120.500 0.103 0.000 2.437 88 R HA 0.139 4.483 4.340 0.006 0.000 0.257 88 R C 0.315 176.573 176.300 -0.071 0.000 0.927 88 R CA 0.427 56.530 56.100 0.005 0.000 1.078 88 R CB 0.327 30.663 30.300 0.060 0.000 1.161 88 R HN -0.096 nan 8.270 nan 0.000 0.529 89 T N -2.044 112.447 114.554 -0.105 0.000 2.893 89 T HA 0.729 5.083 4.350 0.006 0.000 0.291 89 T C -0.079 174.525 174.700 -0.160 0.000 1.028 89 T CA -0.984 61.053 62.100 -0.106 0.000 0.995 89 T CB 2.295 71.130 68.868 -0.056 0.000 1.051 89 T HN 0.057 nan 8.240 nan 0.000 0.470 90 A N 1.281 124.026 122.820 -0.126 0.000 2.386 90 A HA 0.889 5.213 4.320 0.006 0.000 0.248 90 A C 0.944 178.482 177.584 -0.077 0.000 1.082 90 A CA 0.306 52.275 52.037 -0.114 0.000 0.789 90 A CB -0.378 18.580 19.000 -0.069 0.000 1.025 90 A HN 2.153 nan 8.150 nan 0.000 0.490 91 G N 0.232 108.999 108.800 -0.054 0.000 2.369 91 G HA2 0.319 4.283 3.960 0.006 0.000 0.307 91 G HA3 0.319 4.283 3.960 0.006 0.000 0.307 91 G C -0.955 173.929 174.900 -0.027 0.000 1.327 91 G CA -0.802 44.276 45.100 -0.037 0.000 0.963 91 G HN 0.734 nan 8.290 nan 0.000 0.590 92 E N -0.508 119.670 120.200 -0.036 0.000 2.410 92 E HA 0.434 4.788 4.350 0.006 0.000 0.255 92 E C 0.991 177.537 176.600 -0.090 0.000 1.194 92 E CA 0.375 56.744 56.400 -0.052 0.000 0.955 92 E CB 0.518 30.180 29.700 -0.063 0.000 0.988 92 E HN 0.979 nan 8.360 nan 0.000 0.461 93 G N 0.464 109.181 108.800 -0.137 0.000 2.396 93 G HA2 0.261 4.225 3.960 0.006 0.000 0.292 93 G HA3 0.261 4.225 3.960 0.006 0.000 0.292 93 G C -0.149 174.591 174.900 -0.265 0.000 1.106 93 G CA 0.061 45.032 45.100 -0.214 0.000 1.055 93 G HN 0.229 nan 8.290 nan 0.000 0.424 94 T N -0.090 114.320 114.554 -0.240 0.000 2.906 94 T HA 0.458 4.812 4.350 0.006 0.000 0.295 94 T C 1.490 176.016 174.700 -0.291 0.000 1.075 94 T CA 0.125 62.061 62.100 -0.274 0.000 1.005 94 T CB 1.526 70.296 68.868 -0.164 0.000 1.136 94 T HN 0.540 nan 8.240 nan 0.000 0.498 95 S N 1.590 117.071 115.700 -0.365 0.000 2.527 95 S HA 0.166 4.639 4.470 0.006 0.000 0.222 95 S C 0.329 174.869 174.600 -0.100 0.000 0.985 95 S CA -0.073 57.947 58.200 -0.300 0.000 0.921 95 S CB -0.076 62.868 63.200 -0.427 0.000 0.772 95 S HN 0.706 nan 8.310 nan 0.000 0.529 96 E N 2.040 122.194 120.200 -0.076 0.000 2.227 96 E HA 0.560 4.914 4.350 0.006 0.000 0.282 96 E C -0.412 176.186 176.600 -0.002 0.000 1.015 96 E CA -0.308 56.085 56.400 -0.013 0.000 0.823 96 E CB 1.456 31.154 29.700 -0.003 0.000 1.081 96 E HN 0.368 nan 8.360 nan 0.000 0.396 97 A N 4.459 127.299 122.820 0.034 0.000 2.488 97 A HA 0.153 4.476 4.320 0.006 0.000 0.249 97 A C 0.561 178.163 177.584 0.030 0.000 1.083 97 A CA -0.101 51.966 52.037 0.050 0.000 0.768 97 A CB 0.211 19.278 19.000 0.111 0.000 1.017 97 A HN 0.510 nan 8.150 nan 0.000 0.496 98 R N 0.881 121.390 120.500 0.014 0.000 2.652 98 R HA 0.224 4.568 4.340 0.006 0.000 0.271 98 R C 0.229 176.531 176.300 0.003 0.000 1.129 98 R CA -0.449 55.651 56.100 -0.000 0.000 1.200 98 R CB 0.512 30.803 30.300 -0.015 0.000 1.146 98 R HN 0.826 nan 8.270 nan 0.000 0.581 99 E N 1.373 121.570 120.200 -0.005 0.000 2.249 99 E HA 0.223 4.577 4.350 0.006 0.000 0.280 99 E C -1.439 175.152 176.600 -0.015 0.000 1.016 99 E CA -0.579 55.815 56.400 -0.010 0.000 0.830 99 E CB 1.255 30.948 29.700 -0.010 0.000 1.081 99 E HN 0.148 nan 8.360 nan 0.000 0.395 100 L N 4.270 125.481 121.223 -0.021 0.000 2.516 100 L HA 0.252 4.596 4.340 0.006 0.000 0.267 100 L C -1.239 175.615 176.870 -0.026 0.000 0.957 100 L CA -0.253 54.575 54.840 -0.020 0.000 0.860 100 L CB 1.500 43.552 42.059 -0.011 0.000 1.265 100 L HN 0.529 nan 8.230 nan 0.000 0.403 101 D N 4.678 125.065 120.400 -0.022 0.000 2.686 101 D HA -0.192 4.452 4.640 0.006 0.000 0.235 101 D C 1.109 177.390 176.300 -0.032 0.000 1.160 101 D CA 1.656 55.641 54.000 -0.024 0.000 0.645 101 D CB -1.032 39.757 40.800 -0.018 0.000 1.039 101 D HN 1.367 nan 8.370 nan 0.000 0.423 102 G N -1.728 107.054 108.800 -0.031 0.000 2.179 102 G HA2 -0.075 3.888 3.960 0.006 0.000 0.260 102 G HA3 -0.075 3.888 3.960 0.006 0.000 0.260 102 G C 0.554 175.427 174.900 -0.045 0.000 0.977 102 G CA 0.457 45.536 45.100 -0.034 0.000 0.641 102 G HN 1.162 nan 8.290 nan 0.000 0.533 103 G N -0.838 107.928 108.800 -0.056 0.000 2.727 103 G HA2 0.809 4.773 3.960 0.006 0.000 0.289 103 G HA3 0.809 4.773 3.960 0.006 0.000 0.289 103 G C -3.134 171.722 174.900 -0.074 0.000 1.418 103 G CA -0.411 44.643 45.100 -0.077 0.000 0.818 103 G HN 0.255 nan 8.290 nan 0.000 0.486 104 P HA 0.151 nan 4.420 nan 0.000 0.271 104 P C -0.887 176.345 177.300 -0.112 0.000 1.216 104 P CA -0.038 63.038 63.100 -0.039 0.000 0.776 104 P CB 1.329 33.081 31.700 0.087 0.000 0.881 105 D N 3.167 123.561 120.400 -0.010 0.000 2.545 105 D HA 0.029 4.673 4.640 0.006 0.000 0.227 105 D C -0.115 176.250 176.300 0.109 0.000 1.150 105 D CA 0.193 54.212 54.000 0.031 0.000 1.046 105 D CB -0.802 40.031 40.800 0.055 0.000 1.098 105 D HN 0.460 nan 8.370 nan 0.000 0.502 106 H N 0.326 119.439 119.070 0.072 0.000 3.037 106 H HA 0.546 5.106 4.556 0.006 0.000 0.355 106 H C -1.419 173.945 175.328 0.059 0.000 1.263 106 H CA -1.089 54.933 56.048 -0.044 0.000 1.129 106 H CB 0.838 30.467 29.762 -0.221 0.000 1.861 106 H HN 0.091 nan 8.280 nan 0.000 0.546 107 F N -0.389 119.600 119.950 0.065 0.000 2.631 107 F HA 0.594 5.125 4.527 0.006 0.000 0.308 107 F C -2.244 173.501 175.800 -0.092 0.000 1.097 107 F CA -1.301 56.714 58.000 0.024 0.000 0.952 107 F CB 1.038 40.044 39.000 0.010 0.000 1.307 107 F HN 0.387 nan 8.300 nan 0.000 0.450 108 Y N 0.821 121.223 120.300 0.171 0.000 2.387 108 Y HA 0.404 4.958 4.550 0.007 0.000 0.330 108 Y C -0.226 175.715 175.900 0.069 0.000 1.133 108 Y CA -0.679 57.404 58.100 -0.029 0.000 1.152 108 Y CB 1.342 39.659 38.460 -0.238 0.000 1.215 108 Y HN 0.848 nan 8.280 nan 0.000 0.466 109 H N 2.125 121.262 119.070 0.113 0.000 2.736 109 H HA 0.439 4.998 4.556 0.006 0.000 0.271 109 H C -0.712 174.499 175.328 -0.194 0.000 1.184 109 H CA -0.594 55.463 56.048 0.015 0.000 1.378 109 H CB 0.462 30.342 29.762 0.196 0.000 1.428 109 H HN 0.760 nan 8.280 nan 0.000 0.500 110 S N 2.609 118.164 115.700 -0.242 0.000 2.738 110 S HA 0.188 4.662 4.470 0.006 0.000 0.284 110 S C 0.560 174.958 174.600 -0.336 0.000 1.146 110 S CA -0.712 57.227 58.200 -0.434 0.000 0.997 110 S CB 0.717 63.697 63.200 -0.367 0.000 1.081 110 S HN 0.419 nan 8.310 nan 0.000 0.553 111 F N 1.038 120.953 119.950 -0.057 0.000 2.512 111 F HA 0.302 4.833 4.527 0.007 0.000 0.296 111 F C 2.013 177.924 175.800 0.185 0.000 1.110 111 F CA 0.009 58.034 58.000 0.042 0.000 1.446 111 F CB -1.087 37.849 39.000 -0.106 0.000 1.092 111 F HN 0.798 nan 8.300 nan 0.000 0.554 112 G N 2.429 111.422 108.800 0.322 0.000 2.474 112 G HA2 0.268 4.232 3.960 0.006 0.000 0.233 112 G HA3 0.268 4.232 3.960 0.006 0.000 0.233 112 G C 0.130 175.301 174.900 0.452 0.000 1.278 112 G CA -0.490 44.821 45.100 0.353 0.000 0.861 112 G HN 0.135 nan 8.290 nan 0.000 0.567 113 L N 0.608 121.996 121.223 0.276 0.000 2.399 113 L HA 0.579 4.922 4.340 0.006 0.000 0.265 113 L C -0.210 176.644 176.870 -0.026 0.000 1.089 113 L CA -1.193 53.758 54.840 0.185 0.000 0.802 113 L CB 1.048 43.187 42.059 0.133 0.000 1.180 113 L HN 0.264 nan 8.230 nan 0.000 0.454 114 L N 2.931 124.115 121.223 -0.066 0.000 2.261 114 L HA 0.268 4.611 4.340 0.006 0.000 0.289 114 L C 0.443 177.230 176.870 -0.139 0.000 1.059 114 L CA -0.043 54.657 54.840 -0.232 0.000 0.816 114 L CB 0.443 42.415 42.059 -0.144 0.000 1.191 114 L HN 0.632 nan 8.230 nan 0.000 0.431 115 K N 3.616 123.930 120.400 -0.144 0.000 2.295 115 K HA 0.185 4.509 4.320 0.006 0.000 0.270 115 K C -0.832 175.764 176.600 -0.007 0.000 1.011 115 K CA -0.398 55.875 56.287 -0.022 0.000 0.953 115 K CB 0.489 32.958 32.500 -0.052 0.000 0.956 115 K HN 0.261 nan 8.250 nan 0.000 0.477 116 Y N 0.139 120.432 120.300 -0.012 0.000 2.392 116 Y HA 0.213 4.767 4.550 0.007 0.000 0.323 116 Y C 0.001 175.957 175.900 0.093 0.000 1.291 116 Y CA -0.106 58.017 58.100 0.040 0.000 1.345 116 Y CB 1.012 39.481 38.460 0.015 0.000 1.320 116 Y HN 0.743 nan 8.280 nan 0.000 0.518 117 H N 1.121 120.324 119.070 0.222 0.000 3.096 117 H HA 0.275 4.834 4.556 0.006 0.000 0.335 117 H C -1.048 174.397 175.328 0.195 0.000 0.990 117 H CA -0.924 55.172 56.048 0.079 0.000 1.393 117 H CB 0.590 30.223 29.762 -0.214 0.000 1.742 117 H HN 0.584 nan 8.280 nan 0.000 0.501 118 E N 4.731 124.801 120.200 -0.217 0.000 2.297 118 E HA -0.289 4.065 4.350 0.006 0.000 0.228 118 E C -0.050 176.568 176.600 0.030 0.000 1.213 118 E CA 1.180 57.498 56.400 -0.136 0.000 0.712 118 E CB -1.422 28.166 29.700 -0.185 0.000 1.202 118 E HN 1.004 nan 8.360 nan 0.000 0.376 119 Q N -2.554 117.291 119.800 0.075 0.000 2.416 119 Q HA -0.227 4.117 4.340 0.006 0.000 0.235 119 Q C 0.024 176.197 176.000 0.290 0.000 0.773 119 Q CA 1.464 57.334 55.803 0.111 0.000 1.286 119 Q CB -1.013 27.734 28.738 0.015 0.000 1.556 119 Q HN 0.559 nan 8.270 nan 0.000 0.650 120 I N 0.337 121.094 120.570 0.312 0.000 2.498 120 I HA 0.346 4.520 4.170 0.006 0.000 0.290 120 I C -2.339 173.729 176.117 -0.082 0.000 1.032 120 I CA -2.443 58.890 61.300 0.054 0.000 1.073 120 I CB 2.060 39.983 38.000 -0.128 0.000 1.251 120 I HN -0.255 nan 8.210 nan 0.000 0.426 121 P HA -0.032 nan 4.420 nan 0.000 0.265 121 P C 0.593 177.822 177.300 -0.118 0.000 1.193 121 P CA -0.212 62.551 63.100 -0.562 0.000 0.765 121 P CB 0.642 32.014 31.700 -0.547 0.000 0.823 122 L N 4.062 125.268 121.223 -0.029 0.000 2.261 122 L HA -0.220 4.124 4.340 0.006 0.000 0.216 122 L C 2.053 179.114 176.870 0.318 0.000 1.114 122 L CA 2.154 57.082 54.840 0.147 0.000 0.777 122 L CB -1.239 40.747 42.059 -0.121 0.000 0.910 122 L HN 0.396 nan 8.230 nan 0.000 0.440 123 S N -1.951 113.855 115.700 0.177 0.000 2.370 123 S HA -0.262 4.212 4.470 0.006 0.000 0.226 123 S C 1.920 176.652 174.600 0.219 0.000 1.033 123 S CA 1.372 59.639 58.200 0.112 0.000 1.011 123 S CB -0.870 61.806 63.200 -0.875 0.000 0.852 123 S HN 0.584 nan 8.310 nan 0.000 0.457 124 H N 0.429 119.451 119.070 -0.081 0.000 2.387 124 H HA 0.088 4.648 4.556 0.007 0.000 0.299 124 H C 1.757 177.109 175.328 0.040 0.000 1.090 124 H CA 1.611 57.628 56.048 -0.051 0.000 1.332 124 H CB -0.746 28.873 29.762 -0.239 0.000 1.386 124 H HN 0.524 nan 8.280 nan 0.000 0.516 125 Y N -1.331 119.177 120.300 0.347 0.000 2.263 125 Y HA -0.193 4.361 4.550 0.006 0.000 0.292 125 Y C 2.378 178.520 175.900 0.404 0.000 1.130 125 Y CA 0.960 59.261 58.100 0.335 0.000 1.179 125 Y CB -0.700 37.959 38.460 0.332 0.000 0.998 125 Y HN 0.306 nan 8.280 nan 0.000 0.532 126 W N 0.075 121.731 121.300 0.593 0.000 2.333 126 W HA -0.308 4.356 4.660 0.006 0.000 0.316 126 W C 2.150 178.834 176.519 0.276 0.000 1.215 126 W CA 1.744 59.345 57.345 0.426 0.000 1.278 126 W CB -1.042 28.736 29.460 0.530 0.000 1.154 126 W HN 0.083 nan 8.180 nan 0.000 0.486 127 F N 1.966 121.841 119.950 -0.126 0.000 2.171 127 F HA -0.158 4.372 4.527 0.006 0.000 0.300 127 F C 2.129 177.732 175.800 -0.329 0.000 1.090 127 F CA 2.394 60.069 58.000 -0.542 0.000 1.293 127 F CB -1.109 37.814 39.000 -0.129 0.000 1.013 127 F HN 0.016 nan 8.300 nan 0.000 0.486 128 D N -0.105 120.135 120.400 -0.266 0.000 2.092 128 D HA -0.207 4.437 4.640 0.006 0.000 0.193 128 D C 2.260 178.387 176.300 -0.289 0.000 0.994 128 D CA 1.704 55.536 54.000 -0.279 0.000 0.828 128 D CB -0.122 40.644 40.800 -0.057 0.000 0.963 128 D HN 0.257 nan 8.370 nan 0.000 0.450 129 R N 0.176 120.534 120.500 -0.236 0.000 2.092 129 R HA -0.050 4.294 4.340 0.006 0.000 0.231 129 R C 2.539 178.629 176.300 -0.350 0.000 1.119 129 R CA 1.133 57.091 56.100 -0.236 0.000 0.970 129 R CB -0.802 29.372 30.300 -0.210 0.000 0.864 129 R HN 0.159 nan 8.270 nan 0.000 0.440 130 S N 0.770 116.131 115.700 -0.566 0.000 2.348 130 S HA -0.214 4.260 4.470 0.006 0.000 0.221 130 S C 1.899 176.217 174.600 -0.470 0.000 1.033 130 S CA 1.099 58.952 58.200 -0.578 0.000 1.010 130 S CB -0.384 62.257 63.200 -0.932 0.000 0.891 130 S HN 0.450 nan 8.310 nan 0.000 0.442 131 Y N 2.039 121.848 120.300 -0.818 0.000 2.207 131 Y HA -0.014 4.540 4.550 0.006 0.000 0.287 131 Y C 2.086 177.750 175.900 -0.393 0.000 1.156 131 Y CA 1.736 59.424 58.100 -0.688 0.000 1.182 131 Y CB -0.100 37.741 38.460 -1.031 0.000 0.979 131 Y HN 0.221 nan 8.280 nan 0.000 0.521 132 R N -0.105 120.277 120.500 -0.196 0.000 2.335 132 R HA 0.163 4.507 4.340 0.006 0.000 0.223 132 R C 1.245 177.433 176.300 -0.187 0.000 0.940 132 R CA 0.548 56.553 56.100 -0.158 0.000 1.086 132 R CB -0.310 29.946 30.300 -0.074 0.000 1.073 132 R HN 0.524 nan 8.270 nan 0.000 0.504 133 G N 1.872 110.536 108.800 -0.226 0.000 2.198 133 G HA2 -0.299 3.665 3.960 0.006 0.000 0.260 133 G HA3 -0.299 3.665 3.960 0.006 0.000 0.260 133 G C 0.859 175.674 174.900 -0.142 0.000 1.025 133 G CA 0.342 45.334 45.100 -0.179 0.000 0.769 133 G HN 0.244 nan 8.290 nan 0.000 0.507 134 K N -0.852 119.456 120.400 -0.153 0.000 2.314 134 K HA 0.125 4.448 4.320 0.006 0.000 0.198 134 K C 1.116 177.639 176.600 -0.129 0.000 1.045 134 K CA 1.165 57.377 56.287 -0.125 0.000 0.988 134 K CB 0.440 32.868 32.500 -0.119 0.000 0.783 134 K HN 0.461 nan 8.250 nan 0.000 0.484 135 T N -1.028 113.432 114.554 -0.156 0.000 2.883 135 T HA 0.367 4.721 4.350 0.006 0.000 0.301 135 T C -0.528 174.117 174.700 -0.092 0.000 1.158 135 T CA -0.523 61.503 62.100 -0.124 0.000 1.007 135 T CB 2.089 70.863 68.868 -0.157 0.000 1.186 135 T HN -0.227 nan 8.240 nan 0.000 0.499 136 V N 2.030 121.930 119.914 -0.024 0.000 3.382 136 V HA 0.401 4.525 4.120 0.006 0.000 0.296 136 V C 0.507 176.659 176.094 0.096 0.000 1.529 136 V CA -0.156 62.152 62.300 0.014 0.000 1.048 136 V CB 0.171 31.987 31.823 -0.012 0.000 0.878 136 V HN 0.877 nan 8.190 nan 0.000 0.442 137 E N 2.214 122.493 120.200 0.132 0.000 2.384 137 E HA 0.188 4.542 4.350 0.006 0.000 0.266 137 E C -2.318 174.516 176.600 0.391 0.000 1.012 137 E CA -1.579 54.935 56.400 0.190 0.000 0.901 137 E CB 1.009 30.802 29.700 0.155 0.000 0.967 137 E HN 0.286 nan 8.360 nan 0.000 0.435 138 P HA -0.071 nan 4.420 nan 0.000 0.269 138 P C -0.033 177.364 177.300 0.162 0.000 1.217 138 P CA -0.065 63.225 63.100 0.317 0.000 0.783 138 P CB 0.317 32.177 31.700 0.268 0.000 0.898 139 F N 3.171 122.878 119.950 -0.405 0.000 2.069 139 F HA -0.276 4.255 4.527 0.006 0.000 0.298 139 F C 1.787 177.380 175.800 -0.346 0.000 1.113 139 F CA 2.411 59.715 58.000 -1.161 0.000 1.214 139 F CB -0.698 37.511 39.000 -1.319 0.000 0.978 139 F HN 0.341 nan 8.300 nan 0.000 0.474 140 D N -0.677 119.499 120.400 -0.372 0.000 2.104 140 D HA -0.291 4.352 4.640 0.006 0.000 0.194 140 D C 2.106 178.291 176.300 -0.193 0.000 0.994 140 D CA 1.909 55.710 54.000 -0.332 0.000 0.830 140 D CB -1.565 39.173 40.800 -0.104 0.000 0.959 140 D HN 0.448 nan 8.370 nan 0.000 0.452 141 Y N 1.263 121.542 120.300 -0.034 0.000 2.242 141 Y HA 0.097 4.651 4.550 0.007 0.000 0.291 141 Y C 2.909 178.820 175.900 0.018 0.000 1.137 141 Y CA 1.157 59.274 58.100 0.028 0.000 1.181 141 Y CB -0.435 38.065 38.460 0.066 0.000 0.989 141 Y HN 0.103 nan 8.280 nan 0.000 0.527 142 A N -1.515 121.381 122.820 0.126 0.000 1.929 142 A HA -0.131 4.193 4.320 0.006 0.000 0.216 142 A C 1.968 179.663 177.584 0.186 0.000 1.176 142 A CA 1.632 53.766 52.037 0.162 0.000 0.628 142 A CB -1.079 18.057 19.000 0.226 0.000 0.816 142 A HN 0.535 nan 8.150 nan 0.000 0.444 143 C N -2.419 116.834 119.300 -0.079 0.000 2.912 143 C HA 0.405 4.869 4.460 0.006 0.000 0.274 143 C C 0.029 174.784 174.990 -0.392 0.000 1.248 143 C CA -0.601 58.282 59.018 -0.226 0.000 1.694 143 C CB -1.436 26.002 27.740 -0.504 0.000 2.024 143 C HN 0.499 nan 8.230 nan 0.000 0.605 144 Y N 0.970 121.130 120.300 -0.234 0.000 2.499 144 Y HA 0.324 4.878 4.550 0.006 0.000 0.347 144 Y C 1.210 177.017 175.900 -0.154 0.000 0.987 144 Y CA -1.064 56.924 58.100 -0.187 0.000 1.044 144 Y CB 1.071 39.394 38.460 -0.228 0.000 1.245 144 Y HN -0.004 nan 8.280 nan 0.000 0.461 145 K N -0.438 119.986 120.400 0.040 0.000 2.361 145 K HA 0.016 4.340 4.320 0.006 0.000 0.196 145 K C 0.457 177.015 176.600 -0.069 0.000 1.039 145 K CA 1.115 57.397 56.287 -0.009 0.000 1.001 145 K CB 0.214 32.711 32.500 -0.006 0.000 0.795 145 K HN 0.557 nan 8.250 nan 0.000 0.495 146 E N 2.009 122.151 120.200 -0.096 0.000 2.058 146 E HA -0.101 4.253 4.350 0.006 0.000 0.194 146 E C -0.986 175.361 176.600 -0.422 0.000 0.997 146 E CA 1.406 57.671 56.400 -0.224 0.000 0.801 146 E CB -1.321 28.233 29.700 -0.243 0.000 0.746 146 E HN 0.294 nan 8.360 nan 0.000 0.450 147 P HA -0.220 nan 4.420 nan 0.000 0.217 147 P C 1.399 178.483 177.300 -0.360 0.000 1.162 147 P CA 1.286 63.888 63.100 -0.829 0.000 0.901 147 P CB 0.015 31.024 31.700 -1.151 0.000 0.793 148 V N 0.381 120.216 119.914 -0.131 0.000 2.287 148 V HA -0.245 3.879 4.120 0.006 0.000 0.248 148 V C 2.400 178.503 176.094 0.015 0.000 1.053 148 V CA 2.215 64.558 62.300 0.072 0.000 1.027 148 V CB -1.480 30.404 31.823 0.102 0.000 0.646 148 V HN 0.143 nan 8.190 nan 0.000 0.447 149 I N -2.263 118.275 120.570 -0.052 0.000 2.676 149 I HA -0.128 4.046 4.170 0.006 0.000 0.259 149 I C 2.146 178.238 176.117 -0.041 0.000 1.194 149 I CA 1.531 62.807 61.300 -0.039 0.000 1.473 149 I CB -0.441 37.524 38.000 -0.057 0.000 1.096 149 I HN 0.185 nan 8.210 nan 0.000 0.443 150 L N 0.894 122.037 121.223 -0.133 0.000 2.179 150 L HA -0.053 4.291 4.340 0.006 0.000 0.208 150 L C 1.972 178.892 176.870 0.084 0.000 1.096 150 L CA 0.861 55.649 54.840 -0.086 0.000 0.779 150 L CB -0.663 41.114 42.059 -0.470 0.000 0.922 150 L HN 0.213 nan 8.230 nan 0.000 0.443 151 D N 0.652 121.094 120.400 0.071 0.000 2.263 151 D HA -0.101 4.543 4.640 0.006 0.000 0.208 151 D C 1.693 178.092 176.300 0.166 0.000 0.971 151 D CA 1.178 55.286 54.000 0.181 0.000 0.867 151 D CB 0.256 41.205 40.800 0.249 0.000 0.929 151 D HN 0.278 nan 8.370 nan 0.000 0.492 152 A N -0.075 122.819 122.820 0.124 0.000 2.423 152 A HA 0.132 4.456 4.320 0.006 0.000 0.246 152 A C 0.392 178.038 177.584 0.103 0.000 1.278 152 A CA -0.277 51.823 52.037 0.105 0.000 0.903 152 A CB -0.689 18.356 19.000 0.075 0.000 0.997 152 A HN 0.228 nan 8.150 nan 0.000 0.510 153 N N 0.106 118.891 118.700 0.142 0.000 2.727 153 N HA -0.154 4.590 4.740 0.006 0.000 0.249 153 N C -0.457 175.088 175.510 0.059 0.000 1.048 153 N CA 0.004 53.125 53.050 0.118 0.000 0.714 153 N CB -0.435 38.109 38.487 0.095 0.000 0.959 153 N HN 0.358 nan 8.380 nan 0.000 0.544 154 R N 0.524 121.043 120.500 0.031 0.000 2.637 154 R HA 0.310 4.654 4.340 0.006 0.000 0.269 154 R C 0.780 177.036 176.300 -0.073 0.000 1.089 154 R CA -0.339 55.751 56.100 -0.016 0.000 1.177 154 R CB 0.518 30.798 30.300 -0.033 0.000 1.091 154 R HN 0.156 nan 8.270 nan 0.000 0.540 155 S N 1.637 117.259 115.700 -0.130 0.000 2.586 155 S HA 0.281 4.755 4.470 0.006 0.000 0.274 155 S C -1.503 172.861 174.600 -0.392 0.000 1.281 155 S CA -1.493 56.533 58.200 -0.290 0.000 1.035 155 S CB 0.746 63.747 63.200 -0.332 0.000 0.962 155 S HN 0.404 nan 8.310 nan 0.000 0.512 156 P HA 0.089 nan 4.420 nan 0.000 0.241 156 P C -0.247 176.724 177.300 -0.548 0.000 1.191 156 P CA 0.384 63.187 63.100 -0.495 0.000 0.771 156 P CB 0.200 31.539 31.700 -0.602 0.000 0.929 157 R N -0.158 119.856 120.500 -0.811 0.000 2.686 157 R HA 0.446 4.790 4.340 0.006 0.000 0.283 157 R C 0.282 176.257 176.300 -0.541 0.000 0.978 157 R CA -0.833 54.826 56.100 -0.734 0.000 0.897 157 R CB 2.337 31.974 30.300 -1.105 0.000 1.192 157 R HN -0.049 nan 8.270 nan 0.000 0.457 158 R N 1.408 121.775 120.500 -0.222 0.000 2.637 158 R HA 0.159 4.503 4.340 0.006 0.000 0.269 158 R C 1.373 177.740 176.300 0.111 0.000 1.089 158 R CA -0.333 55.734 56.100 -0.055 0.000 1.177 158 R CB 0.511 30.797 30.300 -0.023 0.000 1.091 158 R HN 0.500 nan 8.270 nan 0.000 0.540 159 L N 1.006 122.320 121.223 0.151 0.000 2.127 159 L HA -0.226 4.118 4.340 0.006 0.000 0.211 159 L C 1.507 178.463 176.870 0.144 0.000 1.089 159 L CA 1.423 56.379 54.840 0.192 0.000 0.757 159 L CB -0.591 41.520 42.059 0.088 0.000 0.899 159 L HN 0.752 nan 8.230 nan 0.000 0.434 160 D N -0.552 119.905 120.400 0.094 0.000 2.378 160 D HA -0.000 4.644 4.640 0.006 0.000 0.227 160 D C 1.489 177.845 176.300 0.093 0.000 1.012 160 D CA 0.834 54.876 54.000 0.070 0.000 0.905 160 D CB 0.005 40.830 40.800 0.042 0.000 0.895 160 D HN 0.319 nan 8.370 nan 0.000 0.532 161 G N -0.080 108.817 108.800 0.163 0.000 2.217 161 G HA2 -0.304 3.660 3.960 0.006 0.000 0.246 161 G HA3 -0.304 3.660 3.960 0.006 0.000 0.246 161 G C 0.440 175.378 174.900 0.064 0.000 0.990 161 G CA 0.323 45.529 45.100 0.176 0.000 0.627 161 G HN 0.877 nan 8.290 nan 0.000 0.522 162 S N 0.248 115.964 115.700 0.028 0.000 2.549 162 S HA 0.476 4.950 4.470 0.006 0.000 0.283 162 S C 0.191 174.762 174.600 -0.049 0.000 1.320 162 S CA 0.407 58.608 58.200 0.002 0.000 1.058 162 S CB 1.911 65.114 63.200 0.005 0.000 0.882 162 S HN 0.716 nan 8.310 nan 0.000 0.498 163 K N 1.620 122.007 120.400 -0.021 0.000 2.234 163 K HA 0.368 4.692 4.320 0.006 0.000 0.282 163 K C 0.626 177.212 176.600 -0.024 0.000 1.039 163 K CA -0.569 55.702 56.287 -0.027 0.000 0.928 163 K CB 0.913 33.452 32.500 0.066 0.000 1.039 163 K HN 0.678 nan 8.250 nan 0.000 0.470 164 V N -0.168 119.713 119.914 -0.054 0.000 3.645 164 V HA 0.192 4.316 4.120 0.006 0.000 0.275 164 V C 0.143 176.230 176.094 -0.011 0.000 1.356 164 V CA 0.624 62.902 62.300 -0.036 0.000 1.051 164 V CB -0.004 31.783 31.823 -0.060 0.000 0.828 164 V HN 0.854 nan 8.190 nan 0.000 0.441 165 T N -1.874 112.684 114.554 0.006 0.000 2.821 165 T HA 0.449 4.803 4.350 0.006 0.000 0.306 165 T C -0.861 173.891 174.700 0.086 0.000 1.313 165 T CA -0.626 61.498 62.100 0.040 0.000 1.012 165 T CB 1.356 70.234 68.868 0.016 0.000 1.298 165 T HN 0.327 nan 8.240 nan 0.000 0.502 166 N N 0.739 119.477 118.700 0.063 0.000 2.508 166 N HA 0.566 5.310 4.740 0.006 0.000 0.264 166 N C -0.990 174.514 175.510 -0.011 0.000 1.216 166 N CA -0.353 52.656 53.050 -0.069 0.000 0.943 166 N CB 0.429 38.877 38.487 -0.065 0.000 1.113 166 N HN 0.760 nan 8.380 nan 0.000 0.447 167 Y N -1.253 118.854 120.300 -0.322 0.000 2.689 167 Y HA 0.778 5.332 4.550 0.006 0.000 0.333 167 Y C -1.277 174.137 175.900 -0.810 0.000 1.208 167 Y CA -1.234 56.661 58.100 -0.341 0.000 1.055 167 Y CB 0.546 38.842 38.460 -0.273 0.000 1.304 167 Y HN 0.497 nan 8.280 nan 0.000 0.455 168 A N 0.474 122.955 122.820 -0.566 0.000 2.985 168 A HA 0.875 5.198 4.320 0.006 0.000 0.248 168 A C -1.723 175.331 177.584 -0.883 0.000 1.195 168 A CA -0.895 50.518 52.037 -1.040 0.000 0.798 168 A CB 1.035 19.800 19.000 -0.391 0.000 1.376 168 A HN 0.779 nan 8.150 nan 0.000 0.574 169 W N -1.137 120.285 121.300 0.204 0.000 2.902 169 W HA 0.571 5.234 4.660 0.005 0.000 0.346 169 W C -0.982 175.545 176.519 0.014 0.000 1.139 169 W CA -0.191 57.261 57.345 0.178 0.000 1.139 169 W CB 1.000 30.805 29.460 0.576 0.000 1.439 169 W HN 0.745 nan 8.180 nan 0.000 0.558 170 H N 0.642 119.885 119.070 0.288 0.000 2.538 170 H HA 0.522 5.082 4.556 0.007 0.000 0.353 170 H C -0.847 174.588 175.328 0.177 0.000 1.109 170 H CA -0.539 55.540 56.048 0.052 0.000 1.192 170 H CB 2.174 31.978 29.762 0.070 0.000 1.555 170 H HN 0.241 nan 8.280 nan 0.000 0.518 171 F N -0.878 119.266 119.950 0.324 0.000 2.829 171 F HA 0.184 4.715 4.527 0.006 0.000 0.319 171 F C -1.788 174.114 175.800 0.170 0.000 1.153 171 F CA -1.416 56.727 58.000 0.239 0.000 0.912 171 F CB 0.524 39.700 39.000 0.293 0.000 1.292 171 F HN 0.294 nan 8.300 nan 0.000 0.447 172 D N 1.555 122.244 120.400 0.482 0.000 2.325 172 D HA 0.507 5.150 4.640 0.006 0.000 0.251 172 D C 1.111 177.655 176.300 0.406 0.000 1.196 172 D CA 0.578 54.762 54.000 0.306 0.000 0.866 172 D CB 1.809 42.747 40.800 0.230 0.000 1.101 172 D HN 0.910 nan 8.370 nan 0.000 0.476 173 A N 5.052 128.035 122.820 0.270 0.000 1.948 173 A HA -0.260 4.064 4.320 0.006 0.000 0.220 173 A C 1.801 179.500 177.584 0.192 0.000 1.177 173 A CA 1.405 53.611 52.037 0.282 0.000 0.636 173 A CB -0.731 18.329 19.000 0.100 0.000 0.815 173 A HN 0.775 nan 8.150 nan 0.000 0.449 174 H N -0.049 119.156 119.070 0.225 0.000 2.390 174 H HA -0.100 4.460 4.556 0.006 0.000 0.298 174 H C 2.019 177.441 175.328 0.156 0.000 1.106 174 H CA 1.624 57.776 56.048 0.172 0.000 1.297 174 H CB -0.589 29.261 29.762 0.147 0.000 1.375 174 H HN 0.481 nan 8.280 nan 0.000 0.509 175 L N -0.156 121.228 121.223 0.269 0.000 2.093 175 L HA -0.107 4.237 4.340 0.006 0.000 0.208 175 L C 2.616 179.585 176.870 0.166 0.000 1.085 175 L CA 0.524 55.480 54.840 0.193 0.000 0.755 175 L CB -0.344 41.811 42.059 0.162 0.000 0.904 175 L HN 0.065 nan 8.230 nan 0.000 0.435 176 V N 0.193 120.173 119.914 0.110 0.000 2.358 176 V HA -0.238 3.886 4.120 0.006 0.000 0.246 176 V C 2.796 179.018 176.094 0.213 0.000 1.047 176 V CA 1.690 64.034 62.300 0.074 0.000 1.035 176 V CB -0.812 30.903 31.823 -0.181 0.000 0.658 176 V HN 0.453 nan 8.190 nan 0.000 0.452 177 A N 0.000 122.944 122.820 0.206 0.000 1.908 177 A HA -0.271 4.053 4.320 0.006 0.000 0.218 177 A C 2.005 179.648 177.584 0.097 0.000 1.181 177 A CA 2.151 54.321 52.037 0.220 0.000 0.627 177 A CB -0.614 18.549 19.000 0.270 0.000 0.818 177 A HN 0.544 nan 8.150 nan 0.000 0.445 178 D N -1.306 119.153 120.400 0.099 0.000 2.144 178 D HA -0.102 4.542 4.640 0.006 0.000 0.200 178 D C 1.615 177.922 176.300 0.011 0.000 0.978 178 D CA 1.112 55.112 54.000 0.000 0.000 0.833 178 D CB -0.426 40.410 40.800 0.060 0.000 0.961 178 D HN 0.479 nan 8.370 nan 0.000 0.470 179 F N 1.473 121.421 119.950 -0.004 0.000 2.134 179 F HA -0.129 4.401 4.527 0.006 0.000 0.299 179 F C 2.077 177.907 175.800 0.050 0.000 1.097 179 F CA 1.163 59.177 58.000 0.024 0.000 1.264 179 F CB -0.267 38.763 39.000 0.050 0.000 1.001 179 F HN -0.127 nan 8.300 nan 0.000 0.479 180 L N -0.134 121.132 121.223 0.071 0.000 2.109 180 L HA -0.137 4.207 4.340 0.006 0.000 0.207 180 L C 2.726 179.540 176.870 -0.094 0.000 1.086 180 L CA 1.242 56.129 54.840 0.078 0.000 0.760 180 L CB -0.712 41.535 42.059 0.313 0.000 0.910 180 L HN 0.090 nan 8.230 nan 0.000 0.437 181 R N 0.609 120.835 120.500 -0.457 0.000 2.091 181 R HA -0.172 4.172 4.340 0.006 0.000 0.238 181 R C 2.451 178.351 176.300 -0.667 0.000 1.136 181 R CA 1.514 56.884 56.100 -1.218 0.000 0.959 181 R CB -0.060 29.335 30.300 -1.509 0.000 0.856 181 R HN 0.317 nan 8.270 nan 0.000 0.437 182 R N -0.692 119.571 120.500 -0.396 0.000 2.075 182 R HA -0.146 4.198 4.340 0.006 0.000 0.232 182 R C 2.252 178.428 176.300 -0.206 0.000 1.126 182 R CA 1.538 57.482 56.100 -0.260 0.000 0.963 182 R CB -0.518 29.665 30.300 -0.195 0.000 0.858 182 R HN 0.234 nan 8.270 nan 0.000 0.435 183 F N 1.674 121.394 119.950 -0.384 0.000 2.102 183 F HA -0.144 4.387 4.527 0.006 0.000 0.298 183 F C 2.299 178.001 175.800 -0.162 0.000 1.105 183 F CA 1.341 59.155 58.000 -0.310 0.000 1.239 183 F CB -0.404 38.356 39.000 -0.400 0.000 0.991 183 F HN -0.024 nan 8.300 nan 0.000 0.474 184 A N -0.061 122.683 122.820 -0.127 0.000 1.858 184 A HA -0.192 4.132 4.320 0.006 0.000 0.216 184 A C 2.275 179.789 177.584 -0.115 0.000 1.190 184 A CA 2.685 54.666 52.037 -0.093 0.000 0.617 184 A CB -1.646 17.508 19.000 0.257 0.000 0.827 184 A HN 0.523 nan 8.150 nan 0.000 0.443 185 T N -2.082 112.417 114.554 -0.091 0.000 2.821 185 T HA -0.098 4.256 4.350 0.006 0.000 0.267 185 T C 1.618 176.257 174.700 -0.103 0.000 1.046 185 T CA 1.621 63.691 62.100 -0.050 0.000 1.139 185 T CB -0.290 68.554 68.868 -0.040 0.000 0.871 185 T HN 0.606 nan 8.240 nan 0.000 0.454 186 E N 0.539 120.642 120.200 -0.161 0.000 2.086 186 E HA 0.078 4.432 4.350 0.006 0.000 0.190 186 E C 2.064 178.542 176.600 -0.204 0.000 0.975 186 E CA 0.624 56.932 56.400 -0.152 0.000 0.813 186 E CB 0.129 29.750 29.700 -0.132 0.000 0.768 186 E HN 0.246 nan 8.360 nan 0.000 0.457 187 K N -0.111 120.075 120.400 -0.356 0.000 2.348 187 K HA 0.200 4.524 4.320 0.006 0.000 0.194 187 K C 1.299 177.646 176.600 -0.422 0.000 1.052 187 K CA 0.354 56.384 56.287 -0.429 0.000 1.004 187 K CB 0.621 32.720 32.500 -0.668 0.000 0.873 187 K HN 0.017 nan 8.250 nan 0.000 0.523 188 L N -1.266 119.707 121.223 -0.417 0.000 2.766 188 L HA 0.307 4.651 4.340 0.006 0.000 0.242 188 L C 0.666 177.446 176.870 -0.151 0.000 1.136 188 L CA 0.195 54.866 54.840 -0.281 0.000 0.933 188 L CB 0.508 42.393 42.059 -0.289 0.000 1.241 188 L HN 0.291 nan 8.230 nan 0.000 0.522 189 G N 1.006 109.732 108.800 -0.124 0.000 2.160 189 G HA2 -0.251 3.713 3.960 0.006 0.000 0.251 189 G HA3 -0.251 3.713 3.960 0.006 0.000 0.251 189 G C 0.224 175.114 174.900 -0.017 0.000 1.008 189 G CA 0.145 45.208 45.100 -0.062 0.000 0.724 189 G HN 0.117 nan 8.290 nan 0.000 0.514 190 V N 0.839 120.757 119.914 0.006 0.000 2.555 190 V HA 0.301 4.425 4.120 0.006 0.000 0.286 190 V C 1.250 177.416 176.094 0.119 0.000 1.044 190 V CA -0.178 62.163 62.300 0.069 0.000 1.026 190 V CB 1.380 33.286 31.823 0.139 0.000 0.981 190 V HN 0.465 nan 8.190 nan 0.000 0.480 191 R N 3.861 124.425 120.500 0.107 0.000 2.234 191 R HA 0.256 4.600 4.340 0.006 0.000 0.324 191 R C -0.195 176.237 176.300 0.221 0.000 1.054 191 R CA -0.444 55.741 56.100 0.141 0.000 0.912 191 R CB 0.327 30.692 30.300 0.108 0.000 1.030 191 R HN 0.916 nan 8.270 nan 0.000 0.455 192 H N 3.784 122.949 119.070 0.159 0.000 2.517 192 H HA 0.346 4.906 4.556 0.007 0.000 0.317 192 H C -1.216 174.175 175.328 0.106 0.000 1.080 192 H CA -0.854 55.322 56.048 0.213 0.000 1.301 192 H CB 1.147 31.096 29.762 0.313 0.000 1.425 192 H HN 0.236 nan 8.280 nan 0.000 0.471 193 V N 6.052 126.102 119.914 0.227 0.000 2.483 193 V HA 0.072 4.196 4.120 0.006 0.000 0.297 193 V C -0.392 175.697 176.094 -0.009 0.000 1.027 193 V CA -0.916 61.389 62.300 0.007 0.000 0.855 193 V CB 1.709 33.496 31.823 -0.060 0.000 0.995 193 V HN 0.830 nan 8.190 nan 0.000 0.424 194 E N 4.104 124.251 120.200 -0.089 0.000 1.941 194 E HA 0.394 4.748 4.350 0.006 0.000 0.275 194 E C -0.926 175.678 176.600 0.007 0.000 1.113 194 E CA -0.001 56.380 56.400 -0.030 0.000 0.878 194 E CB 1.016 30.674 29.700 -0.069 0.000 1.070 194 E HN 0.581 nan 8.360 nan 0.000 0.399 195 D N 1.410 121.816 120.400 0.011 0.000 2.623 195 D HA 0.213 4.857 4.640 0.006 0.000 0.241 195 D C -0.990 175.320 176.300 0.015 0.000 1.241 195 D CA -0.620 53.394 54.000 0.022 0.000 0.788 195 D CB 2.135 42.961 40.800 0.042 0.000 1.413 195 D HN 0.144 nan 8.370 nan 0.000 0.429 196 R N 1.352 121.871 120.500 0.032 0.000 2.393 196 R HA 0.501 4.845 4.340 0.006 0.000 0.310 196 R C -0.641 175.682 176.300 0.038 0.000 0.968 196 R CA -0.630 55.487 56.100 0.028 0.000 0.867 196 R CB 1.241 31.560 30.300 0.032 0.000 1.124 196 R HN 0.172 nan 8.270 nan 0.000 0.450 197 V N 4.349 124.278 119.914 0.026 0.000 2.540 197 V HA -0.057 4.067 4.120 0.006 0.000 0.297 197 V C 1.090 177.214 176.094 0.050 0.000 1.024 197 V CA 0.677 63.000 62.300 0.038 0.000 1.105 197 V CB 1.139 32.970 31.823 0.013 0.000 0.938 197 V HN 0.879 nan 8.190 nan 0.000 0.482 198 E N 3.530 123.779 120.200 0.081 0.000 2.256 198 E HA 0.079 4.432 4.350 0.006 0.000 0.198 198 E C 0.485 177.174 176.600 0.148 0.000 0.908 198 E CA 0.566 57.023 56.400 0.096 0.000 0.915 198 E CB 0.380 30.138 29.700 0.097 0.000 0.890 198 E HN 0.773 nan 8.360 nan 0.000 0.484 199 H N -0.807 118.277 119.070 0.023 0.000 3.038 199 H HA 0.402 4.962 4.556 0.006 0.000 0.362 199 H C -1.713 173.616 175.328 0.001 0.000 1.167 199 H CA -0.687 55.366 56.048 0.009 0.000 1.197 199 H CB 1.597 31.365 29.762 0.010 0.000 1.840 199 H HN -0.084 nan 8.280 nan 0.000 0.540 200 V N 4.573 124.171 119.914 -0.527 0.000 2.357 200 V HA 0.109 4.233 4.120 0.006 0.000 0.284 200 V C 0.056 175.892 176.094 -0.430 0.000 1.018 200 V CA -0.650 61.438 62.300 -0.353 0.000 0.841 200 V CB 1.326 32.975 31.823 -0.290 0.000 0.991 200 V HN 0.594 nan 8.190 nan 0.000 0.437 201 Q N 5.288 124.999 119.800 -0.147 0.000 2.322 201 Q HA 0.421 4.765 4.340 0.006 0.000 0.256 201 Q C -0.250 175.698 176.000 -0.087 0.000 0.960 201 Q CA 0.159 55.949 55.803 -0.022 0.000 0.934 201 Q CB 0.689 29.493 28.738 0.110 0.000 1.200 201 Q HN 0.648 nan 8.270 nan 0.000 0.435 202 R N 2.325 122.780 120.500 -0.075 0.000 2.674 202 R HA 0.403 4.747 4.340 0.006 0.000 0.266 202 R C -0.511 175.773 176.300 -0.027 0.000 1.016 202 R CA -0.762 55.291 56.100 -0.077 0.000 1.062 202 R CB 0.907 31.156 30.300 -0.084 0.000 1.142 202 R HN 0.792 nan 8.270 nan 0.000 0.517 203 D N -0.362 120.026 120.400 -0.021 0.000 2.549 203 D HA 0.240 4.884 4.640 0.006 0.000 0.270 203 D C 0.538 176.836 176.300 -0.003 0.000 1.181 203 D CA -0.694 53.305 54.000 -0.002 0.000 1.070 203 D CB 0.477 41.281 40.800 0.008 0.000 1.154 203 D HN 0.403 nan 8.370 nan 0.000 0.602 204 A N -0.571 122.250 122.820 0.002 0.000 2.172 204 A HA -0.128 4.196 4.320 0.006 0.000 0.216 204 A C 1.316 178.899 177.584 -0.002 0.000 1.154 204 A CA 0.884 52.921 52.037 0.000 0.000 0.701 204 A CB -1.099 17.902 19.000 0.003 0.000 0.789 204 A HN 0.639 nan 8.150 nan 0.000 0.465 205 N N -1.176 117.523 118.700 -0.001 0.000 2.336 205 N HA 0.278 5.021 4.740 0.006 0.000 0.189 205 N C 1.011 176.518 175.510 -0.006 0.000 1.113 205 N CA 0.349 53.398 53.050 -0.002 0.000 0.858 205 N CB 0.256 38.744 38.487 0.002 0.000 0.970 205 N HN 0.539 nan 8.380 nan 0.000 0.471 206 G N 0.819 109.613 108.800 -0.010 0.000 2.179 206 G HA2 -0.296 3.668 3.960 0.006 0.000 0.260 206 G HA3 -0.296 3.668 3.960 0.006 0.000 0.260 206 G C -0.136 174.750 174.900 -0.023 0.000 0.977 206 G CA -0.106 44.983 45.100 -0.017 0.000 0.641 206 G HN 0.387 nan 8.290 nan 0.000 0.533 207 N N -0.423 118.268 118.700 -0.015 0.000 2.463 207 N HA 0.579 5.323 4.740 0.006 0.000 0.270 207 N C 0.280 175.749 175.510 -0.068 0.000 1.205 207 N CA -0.643 52.399 53.050 -0.013 0.000 0.974 207 N CB 0.898 39.403 38.487 0.029 0.000 1.197 207 N HN 0.205 nan 8.380 nan 0.000 0.504 208 I N 1.248 121.730 120.570 -0.146 0.000 2.371 208 I HA 0.017 4.191 4.170 0.006 0.000 0.290 208 I C 1.327 177.320 176.117 -0.207 0.000 1.028 208 I CA 0.142 61.228 61.300 -0.356 0.000 1.345 208 I CB 1.046 38.501 38.000 -0.908 0.000 1.407 208 I HN 0.681 nan 8.210 nan 0.000 0.501 209 E N 3.303 123.433 120.200 -0.116 0.000 2.057 209 E HA -0.016 4.338 4.350 0.006 0.000 0.190 209 E C 0.206 176.895 176.600 0.148 0.000 0.969 209 E CA 0.693 57.122 56.400 0.047 0.000 0.812 209 E CB 0.470 30.191 29.700 0.035 0.000 0.777 209 E HN 0.810 nan 8.360 nan 0.000 0.455 210 S N -1.224 114.498 115.700 0.038 0.000 2.636 210 S HA 0.418 4.892 4.470 0.006 0.000 0.268 210 S C -1.018 173.622 174.600 0.067 0.000 1.159 210 S CA -0.799 57.505 58.200 0.173 0.000 0.815 210 S CB 1.701 65.006 63.200 0.175 0.000 1.130 210 S HN 0.109 nan 8.310 nan 0.000 0.471 211 V N -0.613 119.422 119.914 0.201 0.000 2.531 211 V HA 0.806 4.929 4.120 0.006 0.000 0.301 211 V C -0.488 175.746 176.094 0.233 0.000 1.034 211 V CA -0.747 61.644 62.300 0.152 0.000 0.865 211 V CB 1.472 33.378 31.823 0.139 0.000 0.995 211 V HN 1.135 nan 8.190 nan 0.000 0.424 212 R N 3.658 124.275 120.500 0.195 0.000 2.265 212 R HA 0.637 4.981 4.340 0.006 0.000 0.319 212 R C 0.400 176.808 176.300 0.181 0.000 1.006 212 R CA 0.201 56.416 56.100 0.191 0.000 0.880 212 R CB 1.449 31.841 30.300 0.155 0.000 1.077 212 R HN 1.077 nan 8.270 nan 0.000 0.454 213 T N 0.722 115.399 114.554 0.203 0.000 2.824 213 T HA 0.315 4.669 4.350 0.006 0.000 0.277 213 T C 1.353 176.120 174.700 0.112 0.000 0.975 213 T CA -0.268 61.928 62.100 0.159 0.000 0.966 213 T CB 1.524 70.511 68.868 0.200 0.000 1.054 213 T HN 0.602 nan 8.240 nan 0.000 0.533 214 A N 0.465 123.337 122.820 0.086 0.000 2.125 214 A HA 0.027 4.351 4.320 0.006 0.000 0.219 214 A C 2.315 179.934 177.584 0.058 0.000 1.156 214 A CA 1.638 53.713 52.037 0.063 0.000 0.671 214 A CB -1.471 17.559 19.000 0.050 0.000 0.794 214 A HN 1.051 nan 8.150 nan 0.000 0.459 215 T N -5.031 109.566 114.554 0.073 0.000 3.100 215 T HA 0.404 4.758 4.350 0.006 0.000 0.253 215 T C 1.391 176.124 174.700 0.054 0.000 1.118 215 T CA 1.084 63.220 62.100 0.061 0.000 1.058 215 T CB 0.230 69.141 68.868 0.072 0.000 0.953 215 T HN 1.566 nan 8.240 nan 0.000 0.515 216 G N 1.475 110.312 108.800 0.062 0.000 2.179 216 G HA2 -0.217 3.747 3.960 0.006 0.000 0.220 216 G HA3 -0.217 3.747 3.960 0.006 0.000 0.220 216 G C 0.161 175.081 174.900 0.034 0.000 0.990 216 G CA -0.417 44.708 45.100 0.041 0.000 0.646 216 G HN 0.628 nan 8.290 nan 0.000 0.517 217 R N 0.435 120.973 120.500 0.064 0.000 2.438 217 R HA 0.477 4.821 4.340 0.006 0.000 0.287 217 R C 0.521 176.820 176.300 -0.002 0.000 1.077 217 R CA 0.346 56.439 56.100 -0.012 0.000 1.034 217 R CB 1.466 31.795 30.300 0.048 0.000 0.993 217 R HN 0.605 nan 8.270 nan 0.000 0.459 218 V N 0.957 120.772 119.914 -0.166 0.000 2.417 218 V HA 0.533 4.657 4.120 0.006 0.000 0.291 218 V C -0.800 175.147 176.094 -0.245 0.000 1.024 218 V CA -0.826 61.441 62.300 -0.054 0.000 0.861 218 V CB 1.069 32.882 31.823 -0.017 0.000 0.985 218 V HN 0.466 nan 8.190 nan 0.000 0.436 219 F N 3.996 124.001 119.950 0.092 0.000 2.402 219 F HA 0.598 5.129 4.527 0.006 0.000 0.355 219 F C 0.255 176.153 175.800 0.163 0.000 1.123 219 F CA -0.654 57.405 58.000 0.099 0.000 1.021 219 F CB 1.453 40.508 39.000 0.091 0.000 1.160 219 F HN 0.848 nan 8.300 nan 0.000 0.451 220 D N 1.833 122.358 120.400 0.209 0.000 2.198 220 D HA 0.830 5.474 4.640 0.006 0.000 0.247 220 D C -0.781 175.572 176.300 0.088 0.000 1.010 220 D CA -0.599 53.533 54.000 0.219 0.000 0.880 220 D CB 2.010 42.882 40.800 0.121 0.000 1.209 220 D HN 0.670 nan 8.370 nan 0.000 0.451 221 A N 1.091 123.914 122.820 0.004 0.000 2.564 221 A HA 0.410 4.734 4.320 0.006 0.000 0.291 221 A C -0.454 177.003 177.584 -0.212 0.000 1.102 221 A CA -0.728 51.130 52.037 -0.298 0.000 0.660 221 A CB 1.163 19.705 19.000 -0.763 0.000 1.283 221 A HN 0.536 nan 8.150 nan 0.000 0.430 222 D N -0.788 119.494 120.400 -0.196 0.000 2.216 222 D HA 0.154 4.798 4.640 0.006 0.000 0.208 222 D C -0.074 176.182 176.300 -0.073 0.000 0.960 222 D CA 1.206 55.169 54.000 -0.063 0.000 0.861 222 D CB 0.350 41.126 40.800 -0.040 0.000 0.985 222 D HN 0.249 nan 8.370 nan 0.000 0.493 223 L N 0.362 121.441 121.223 -0.240 0.000 2.385 223 L HA 0.388 4.732 4.340 0.006 0.000 0.273 223 L C -1.651 174.999 176.870 -0.367 0.000 0.990 223 L CA -0.605 54.120 54.840 -0.193 0.000 0.821 223 L CB 1.695 43.621 42.059 -0.221 0.000 1.279 223 L HN -0.317 nan 8.230 nan 0.000 0.412 224 F N 4.453 124.332 119.950 -0.118 0.000 2.458 224 F HA 0.605 5.136 4.527 0.007 0.000 0.336 224 F C -0.100 175.601 175.800 -0.164 0.000 1.114 224 F CA -0.812 57.122 58.000 -0.110 0.000 0.987 224 F CB 1.907 40.864 39.000 -0.072 0.000 1.130 224 F HN 0.059 nan 8.300 nan 0.000 0.458 225 V N 2.553 122.452 119.914 -0.026 0.000 2.347 225 V HA 0.209 4.333 4.120 0.006 0.000 0.280 225 V C -0.563 175.498 176.094 -0.055 0.000 1.021 225 V CA -0.741 61.502 62.300 -0.094 0.000 0.847 225 V CB 1.366 33.110 31.823 -0.132 0.000 0.990 225 V HN 0.579 nan 8.190 nan 0.000 0.444 226 D N 3.943 124.314 120.400 -0.048 0.000 2.365 226 D HA 0.233 4.877 4.640 0.006 0.000 0.237 226 D C -0.002 176.268 176.300 -0.051 0.000 1.190 226 D CA -0.166 53.813 54.000 -0.035 0.000 0.867 226 D CB 0.977 41.768 40.800 -0.014 0.000 1.050 226 D HN 0.581 nan 8.370 nan 0.000 0.491 227 C N 2.949 122.205 119.300 -0.074 0.000 2.660 227 C HA 0.137 4.601 4.460 0.006 0.000 0.265 227 C C 1.749 176.690 174.990 -0.082 0.000 1.573 227 C CA -0.366 58.601 59.018 -0.085 0.000 1.751 227 C CB -1.386 26.278 27.740 -0.126 0.000 3.033 227 C HN 0.657 nan 8.230 nan 0.000 0.511 228 S N 0.086 115.750 115.700 -0.061 0.000 2.603 228 S HA 0.415 4.889 4.470 0.006 0.000 0.220 228 S C 1.152 175.717 174.600 -0.059 0.000 0.967 228 S CA 0.685 58.853 58.200 -0.052 0.000 0.920 228 S CB -0.145 63.035 63.200 -0.034 0.000 0.773 228 S HN 1.169 nan 8.310 nan 0.000 0.529 229 G N 1.383 110.129 108.800 -0.090 0.000 2.593 229 G HA2 -0.263 3.701 3.960 0.006 0.000 0.237 229 G HA3 -0.263 3.701 3.960 0.006 0.000 0.237 229 G C 0.108 174.945 174.900 -0.105 0.000 1.312 229 G CA -0.104 44.886 45.100 -0.182 0.000 0.896 229 G HN 0.261 nan 8.290 nan 0.000 0.574 230 F N 1.206 121.126 119.950 -0.050 0.000 2.236 230 F HA -0.073 4.458 4.527 0.007 0.000 0.302 230 F C 2.956 178.681 175.800 -0.125 0.000 1.073 230 F CA 2.123 60.054 58.000 -0.114 0.000 1.336 230 F CB -0.448 38.473 39.000 -0.132 0.000 1.040 230 F HN 0.389 nan 8.300 nan 0.000 0.507 231 R N -0.113 120.441 120.500 0.089 0.000 2.120 231 R HA 0.000 4.344 4.340 0.006 0.000 0.234 231 R C 1.615 177.917 176.300 0.003 0.000 1.123 231 R CA 0.783 56.899 56.100 0.027 0.000 0.975 231 R CB -0.893 29.418 30.300 0.017 0.000 0.866 231 R HN 0.336 nan 8.270 nan 0.000 0.446 232 G N 1.695 110.499 108.800 0.008 0.000 2.371 232 G HA2 -0.242 3.722 3.960 0.006 0.000 0.299 232 G HA3 -0.242 3.722 3.960 0.006 0.000 0.299 232 G C 0.530 175.427 174.900 -0.004 0.000 1.014 232 G CA -0.037 45.068 45.100 0.009 0.000 1.097 232 G HN 0.105 nan 8.290 nan 0.000 0.512 233 L N -1.001 120.213 121.223 -0.014 0.000 2.021 233 L HA -0.132 4.211 4.340 0.006 0.000 0.215 233 L C 2.987 179.833 176.870 -0.040 0.000 1.074 233 L CA 2.392 57.216 54.840 -0.025 0.000 0.760 233 L CB -0.632 41.411 42.059 -0.026 0.000 0.889 233 L HN 0.581 nan 8.230 nan 0.000 0.433 234 L N -2.507 118.694 121.223 -0.037 0.000 2.194 234 L HA -0.050 4.294 4.340 0.006 0.000 0.197 234 L C 2.343 179.193 176.870 -0.033 0.000 1.106 234 L CA 0.308 55.115 54.840 -0.055 0.000 0.785 234 L CB -0.668 41.361 42.059 -0.050 0.000 0.960 234 L HN 0.100 nan 8.230 nan 0.000 0.465 235 I N 1.038 121.607 120.570 -0.003 0.000 2.151 235 I HA -0.327 3.847 4.170 0.006 0.000 0.243 235 I C 1.805 177.942 176.117 0.033 0.000 1.080 235 I CA 2.078 63.394 61.300 0.026 0.000 1.339 235 I CB -0.356 37.676 38.000 0.055 0.000 1.039 235 I HN 0.312 nan 8.210 nan 0.000 0.409 236 N N -0.722 117.997 118.700 0.031 0.000 2.428 236 N HA -0.026 4.718 4.740 0.006 0.000 0.181 236 N C 1.773 177.288 175.510 0.009 0.000 1.028 236 N CA 0.555 53.627 53.050 0.037 0.000 0.877 236 N CB -0.278 38.237 38.487 0.047 0.000 1.064 236 N HN 0.186 nan 8.380 nan 0.000 0.434 237 K N 0.839 121.233 120.400 -0.009 0.000 1.984 237 K HA 0.019 4.343 4.320 0.006 0.000 0.209 237 K C 1.916 178.491 176.600 -0.042 0.000 1.046 237 K CA 1.361 57.633 56.287 -0.024 0.000 0.934 237 K CB -0.113 32.369 32.500 -0.030 0.000 0.717 237 K HN 0.164 nan 8.250 nan 0.000 0.438 238 A N 0.759 123.542 122.820 -0.063 0.000 1.843 238 A HA -0.067 4.256 4.320 0.006 0.000 0.213 238 A C 1.980 179.523 177.584 -0.070 0.000 1.202 238 A CA 1.107 53.087 52.037 -0.094 0.000 0.607 238 A CB -0.282 18.634 19.000 -0.140 0.000 0.847 238 A HN 0.248 nan 8.150 nan 0.000 0.445 239 M N -0.444 119.125 119.600 -0.051 0.000 2.557 239 M HA -0.002 4.482 4.480 0.006 0.000 0.259 239 M C 0.190 176.485 176.300 -0.009 0.000 1.086 239 M CA 0.876 56.159 55.300 -0.028 0.000 1.096 239 M CB -1.388 31.207 32.600 -0.008 0.000 1.424 239 M HN 0.597 nan 8.290 nan 0.000 0.488 240 E N -0.018 120.179 120.200 -0.005 0.000 3.065 240 E HA -0.225 4.129 4.350 0.006 0.000 0.277 240 E C 0.083 176.697 176.600 0.024 0.000 1.008 240 E CA 0.619 57.024 56.400 0.008 0.000 0.864 240 E CB -1.579 28.121 29.700 0.001 0.000 1.439 240 E HN 0.438 nan 8.360 nan 0.000 0.445 241 E N 1.854 122.075 120.200 0.034 0.000 2.417 241 E HA 0.070 4.424 4.350 0.006 0.000 0.261 241 E C -2.103 174.538 176.600 0.070 0.000 1.000 241 E CA -1.705 54.724 56.400 0.047 0.000 0.919 241 E CB 0.618 30.352 29.700 0.057 0.000 0.955 241 E HN -0.008 nan 8.360 nan 0.000 0.455 242 P HA 0.080 nan 4.420 nan 0.000 0.274 242 P C -0.909 176.464 177.300 0.123 0.000 1.231 242 P CA -0.247 62.905 63.100 0.086 0.000 0.790 242 P CB 0.435 32.166 31.700 0.051 0.000 0.951 243 F N 2.182 122.137 119.950 0.008 0.000 2.421 243 F HA 0.376 4.907 4.527 0.006 0.000 0.337 243 F C -0.276 175.532 175.800 0.013 0.000 1.105 243 F CA -0.866 57.138 58.000 0.007 0.000 1.049 243 F CB 0.824 39.832 39.000 0.014 0.000 1.139 243 F HN 0.073 nan 8.300 nan 0.000 0.479 244 L N 5.314 126.153 121.223 -0.640 0.000 2.259 244 L HA 0.219 4.563 4.340 0.006 0.000 0.288 244 L C -0.595 176.067 176.870 -0.348 0.000 1.051 244 L CA -0.723 53.904 54.840 -0.356 0.000 0.824 244 L CB 0.747 42.645 42.059 -0.269 0.000 1.206 244 L HN 0.578 nan 8.230 nan 0.000 0.429 245 D N 4.165 124.563 120.400 -0.004 0.000 2.383 245 D HA 0.090 4.734 4.640 0.006 0.000 0.252 245 D C 0.547 176.915 176.300 0.113 0.000 1.166 245 D CA 0.074 54.163 54.000 0.148 0.000 0.879 245 D CB 0.836 41.734 40.800 0.164 0.000 1.164 245 D HN 0.346 nan 8.370 nan 0.000 0.462 246 M N 3.012 122.721 119.600 0.182 0.000 2.655 246 M HA 0.033 4.517 4.480 0.006 0.000 0.311 246 M C 1.395 177.812 176.300 0.195 0.000 1.229 246 M CA -0.029 55.406 55.300 0.226 0.000 0.972 246 M CB -0.166 32.632 32.600 0.331 0.000 1.366 246 M HN 0.476 nan 8.290 nan 0.000 0.500 247 S N 0.430 116.211 115.700 0.136 0.000 2.547 247 S HA -0.126 4.348 4.470 0.006 0.000 0.235 247 S C 1.057 175.675 174.600 0.030 0.000 0.980 247 S CA 1.146 59.404 58.200 0.098 0.000 0.941 247 S CB -0.490 62.758 63.200 0.080 0.000 0.763 247 S HN 0.579 nan 8.310 nan 0.000 0.532 248 D N -0.220 120.150 120.400 -0.050 0.000 2.340 248 D HA -0.050 4.594 4.640 0.006 0.000 0.220 248 D C 1.080 177.164 176.300 -0.360 0.000 1.039 248 D CA 0.402 54.281 54.000 -0.202 0.000 0.866 248 D CB -0.397 40.238 40.800 -0.275 0.000 0.913 248 D HN 0.554 nan 8.370 nan 0.000 0.523 249 H N -0.341 118.760 119.070 0.052 0.000 3.067 249 H HA 0.357 4.917 4.556 0.007 0.000 0.241 249 H C 0.198 175.557 175.328 0.051 0.000 0.961 249 H CA 0.009 56.082 56.048 0.041 0.000 1.123 249 H CB 1.655 31.444 29.762 0.044 0.000 1.448 249 H HN 0.027 nan 8.280 nan 0.000 0.457 250 L N 2.007 123.336 121.223 0.176 0.000 2.372 250 L HA 0.270 4.614 4.340 0.006 0.000 0.273 250 L C 0.844 177.773 176.870 0.098 0.000 0.989 250 L CA -0.186 54.730 54.840 0.126 0.000 0.841 250 L CB 2.722 44.892 42.059 0.186 0.000 1.225 250 L HN -0.052 nan 8.230 nan 0.000 0.414 251 L N 1.469 122.715 121.223 0.039 0.000 2.240 251 L HA 0.056 4.400 4.340 0.006 0.000 0.211 251 L C 0.716 177.667 176.870 0.135 0.000 1.106 251 L CA 0.584 55.493 54.840 0.114 0.000 0.793 251 L CB -0.177 41.978 42.059 0.160 0.000 0.927 251 L HN 0.661 nan 8.230 nan 0.000 0.446 252 N N 1.228 119.990 118.700 0.104 0.000 2.475 252 N HA 0.003 4.747 4.740 0.006 0.000 0.267 252 N C -0.214 175.404 175.510 0.180 0.000 1.169 252 N CA 0.038 53.153 53.050 0.109 0.000 0.947 252 N CB 0.632 39.225 38.487 0.177 0.000 1.061 252 N HN 0.199 nan 8.380 nan 0.000 0.466 253 D N -0.883 119.553 120.400 0.061 0.000 2.497 253 D HA 0.104 4.747 4.640 0.006 0.000 0.256 253 D C -0.518 175.688 176.300 -0.156 0.000 1.273 253 D CA -0.043 54.024 54.000 0.111 0.000 0.812 253 D CB 0.300 41.095 40.800 -0.007 0.000 1.190 253 D HN 0.184 nan 8.370 nan 0.000 0.524 254 S N -0.574 114.832 115.700 -0.489 0.000 2.697 254 S HA 0.966 5.440 4.470 0.006 0.000 0.289 254 S C -1.189 172.874 174.600 -0.894 0.000 1.149 254 S CA -0.475 57.133 58.200 -0.986 0.000 0.850 254 S CB 2.081 64.457 63.200 -1.372 0.000 1.151 254 S HN 0.537 nan 8.310 nan 0.000 0.491 255 A N 0.471 122.886 122.820 -0.675 0.000 2.582 255 A HA 0.693 5.016 4.320 0.006 0.000 0.297 255 A C -1.679 175.800 177.584 -0.174 0.000 1.059 255 A CA -0.586 51.288 52.037 -0.272 0.000 0.705 255 A CB 1.135 20.054 19.000 -0.135 0.000 1.279 255 A HN 1.258 nan 8.150 nan 0.000 0.404 256 V N 1.186 120.944 119.914 -0.260 0.000 2.531 256 V HA 0.938 5.062 4.120 0.006 0.000 0.301 256 V C -0.157 175.507 176.094 -0.717 0.000 1.034 256 V CA 0.454 62.549 62.300 -0.341 0.000 0.865 256 V CB 1.075 32.742 31.823 -0.261 0.000 0.995 256 V HN 2.409 nan 8.190 nan 0.000 0.424 257 A N 4.460 127.030 122.820 -0.416 0.000 2.532 257 A HA 0.992 5.316 4.320 0.006 0.000 0.290 257 A C -0.331 177.267 177.584 0.024 0.000 1.143 257 A CA -0.086 51.733 52.037 -0.363 0.000 0.728 257 A CB 2.250 21.133 19.000 -0.195 0.000 1.317 257 A HN 1.336 nan 8.150 nan 0.000 0.414 258 T N -1.066 113.577 114.554 0.149 0.000 2.661 258 T HA 0.513 4.866 4.350 0.006 0.000 0.305 258 T C -1.925 172.799 174.700 0.040 0.000 1.441 258 T CA -0.338 61.838 62.100 0.127 0.000 0.999 258 T CB 1.424 70.383 68.868 0.151 0.000 1.650 258 T HN 0.887 nan 8.240 nan 0.000 0.489 259 Q N 1.557 121.331 119.800 -0.044 0.000 2.337 259 Q HA 0.694 5.037 4.340 0.006 0.000 0.270 259 Q C -1.842 173.971 176.000 -0.311 0.000 1.043 259 Q CA -0.681 55.033 55.803 -0.148 0.000 0.794 259 Q CB 1.940 30.653 28.738 -0.043 0.000 1.281 259 Q HN 0.526 nan 8.270 nan 0.000 0.446 260 V N 5.263 124.796 119.914 -0.635 0.000 2.448 260 V HA 0.426 4.550 4.120 0.006 0.000 0.295 260 V C -2.292 173.483 176.094 -0.532 0.000 1.025 260 V CA -1.945 59.922 62.300 -0.721 0.000 0.859 260 V CB 1.420 32.471 31.823 -1.287 0.000 0.988 260 V HN 0.795 nan 8.190 nan 0.000 0.431 261 P HA 0.149 nan 4.420 nan 0.000 0.269 261 P C -0.723 176.570 177.300 -0.011 0.000 1.215 261 P CA 0.273 63.313 63.100 -0.100 0.000 0.780 261 P CB 0.290 31.953 31.700 -0.062 0.000 0.898 262 H N 1.611 120.659 119.070 -0.037 0.000 2.954 262 H HA 0.199 4.759 4.556 0.006 0.000 0.361 262 H C -1.375 173.965 175.328 0.021 0.000 1.122 262 H CA -0.549 55.524 56.048 0.041 0.000 1.217 262 H CB 1.721 31.575 29.762 0.153 0.000 1.776 262 H HN 0.261 nan 8.280 nan 0.000 0.533 263 D N 3.431 123.595 120.400 -0.393 0.000 2.441 263 D HA 0.082 4.725 4.640 0.006 0.000 0.221 263 D C 0.255 176.401 176.300 -0.258 0.000 1.156 263 D CA -0.141 53.718 54.000 -0.235 0.000 0.896 263 D CB 0.588 41.267 40.800 -0.203 0.000 1.028 263 D HN 0.476 nan 8.370 nan 0.000 0.509 264 D N 2.319 122.689 120.400 -0.050 0.000 2.269 264 D HA -0.118 4.526 4.640 0.006 0.000 0.208 264 D C 0.978 176.958 176.300 -0.534 0.000 0.963 264 D CA 0.580 54.490 54.000 -0.149 0.000 0.864 264 D CB 0.364 41.096 40.800 -0.113 0.000 0.936 264 D HN 0.493 nan 8.370 nan 0.000 0.505 265 D N 0.533 120.749 120.400 -0.306 0.000 2.144 265 D HA -0.048 4.595 4.640 0.006 0.000 0.200 265 D C 1.981 178.215 176.300 -0.110 0.000 0.978 265 D CA 0.905 54.805 54.000 -0.168 0.000 0.833 265 D CB 0.032 40.837 40.800 0.010 0.000 0.961 265 D HN 0.152 nan 8.370 nan 0.000 0.470 266 A N 0.750 123.501 122.820 -0.115 0.000 1.878 266 A HA -0.057 4.267 4.320 0.006 0.000 0.213 266 A C 1.749 179.297 177.584 -0.061 0.000 1.192 266 A CA 1.072 53.064 52.037 -0.075 0.000 0.619 266 A CB -0.394 18.555 19.000 -0.085 0.000 0.837 266 A HN 0.207 nan 8.150 nan 0.000 0.446 267 N N -1.494 117.156 118.700 -0.083 0.000 2.250 267 N HA 0.402 5.146 4.740 0.006 0.000 0.190 267 N C 0.714 176.259 175.510 0.058 0.000 1.116 267 N CA 0.429 53.483 53.050 0.007 0.000 0.881 267 N CB 0.749 39.255 38.487 0.031 0.000 1.006 267 N HN 0.677 nan 8.380 nan 0.000 0.491 268 G N 0.358 109.148 108.800 -0.016 0.000 2.782 268 G HA2 -0.199 3.765 3.960 0.006 0.000 0.228 268 G HA3 -0.199 3.765 3.960 0.006 0.000 0.228 268 G C -0.913 174.022 174.900 0.058 0.000 1.372 268 G CA -0.672 44.421 45.100 -0.011 0.000 0.862 268 G HN 0.049 nan 8.290 nan 0.000 0.547 269 V N 0.593 120.537 119.914 0.051 0.000 2.531 269 V HA 0.479 4.603 4.120 0.006 0.000 0.301 269 V C 0.268 176.310 176.094 -0.086 0.000 1.034 269 V CA -0.686 61.602 62.300 -0.020 0.000 0.865 269 V CB 1.693 33.553 31.823 0.062 0.000 0.995 269 V HN 0.779 nan 8.190 nan 0.000 0.424 270 E N 6.518 126.563 120.200 -0.258 0.000 2.290 270 E HA 0.180 4.534 4.350 0.006 0.000 0.277 270 E C -1.989 174.345 176.600 -0.444 0.000 1.035 270 E CA -1.516 54.563 56.400 -0.534 0.000 0.873 270 E CB 1.095 30.147 29.700 -1.079 0.000 1.029 270 E HN 0.472 nan 8.360 nan 0.000 0.419 271 P HA 0.047 nan 4.420 nan 0.000 0.243 271 P C -1.197 176.160 177.300 0.095 0.000 1.668 271 P CA 0.119 63.198 63.100 -0.036 0.000 0.898 271 P CB -0.566 31.144 31.700 0.016 0.000 1.637 272 F N -3.999 116.049 119.950 0.162 0.000 2.693 272 F HA 0.553 5.083 4.527 0.006 0.000 0.309 272 F C -0.820 175.128 175.800 0.246 0.000 1.129 272 F CA -1.311 56.787 58.000 0.163 0.000 0.948 272 F CB 0.248 39.294 39.000 0.077 0.000 1.315 272 F HN -0.457 nan 8.300 nan 0.000 0.447 273 T N 1.550 116.393 114.554 0.482 0.000 2.889 273 T HA 0.551 4.905 4.350 0.006 0.000 0.291 273 T C -0.396 174.475 174.700 0.284 0.000 0.995 273 T CA -0.419 61.860 62.100 0.299 0.000 1.092 273 T CB 1.139 70.169 68.868 0.270 0.000 0.954 273 T HN 0.657 nan 8.240 nan 0.000 0.506 274 S N 1.809 117.663 115.700 0.257 0.000 2.475 274 S HA 0.679 5.153 4.470 0.006 0.000 0.298 274 S C -0.255 174.491 174.600 0.243 0.000 1.119 274 S CA -0.841 57.488 58.200 0.215 0.000 1.085 274 S CB 1.438 64.802 63.200 0.272 0.000 1.028 274 S HN 0.851 nan 8.310 nan 0.000 0.489 275 A N 3.464 126.344 122.820 0.100 0.000 2.431 275 A HA 0.609 4.933 4.320 0.006 0.000 0.318 275 A C -0.470 177.460 177.584 0.576 0.000 1.330 275 A CA -0.572 51.680 52.037 0.357 0.000 0.804 275 A CB -0.138 18.691 19.000 -0.284 0.000 1.135 275 A HN 0.816 nan 8.150 nan 0.000 0.483 276 I N 2.777 123.697 120.570 0.583 0.000 2.297 276 I HA 0.367 4.541 4.170 0.006 0.000 0.291 276 I C 0.990 177.274 176.117 0.279 0.000 1.033 276 I CA -0.238 61.276 61.300 0.357 0.000 1.253 276 I CB 1.507 39.616 38.000 0.181 0.000 1.396 276 I HN 0.668 nan 8.210 nan 0.000 0.476 277 A N 8.526 131.333 122.820 -0.021 0.000 2.520 277 A HA 0.440 4.764 4.320 0.006 0.000 0.245 277 A C 0.247 177.832 177.584 0.003 0.000 1.072 277 A CA 0.197 52.072 52.037 -0.270 0.000 0.761 277 A CB 0.210 18.715 19.000 -0.825 0.000 1.004 277 A HN 0.676 nan 8.150 nan 0.000 0.499 278 M N 1.352 121.052 119.600 0.167 0.000 2.826 278 M HA 0.364 4.848 4.480 0.006 0.000 0.288 278 M C 0.841 177.317 176.300 0.295 0.000 1.141 278 M CA -0.528 54.806 55.300 0.056 0.000 0.816 278 M CB 0.769 33.240 32.600 -0.214 0.000 1.704 278 M HN 0.736 nan 8.290 nan 0.000 0.497 279 K N -0.075 120.428 120.400 0.173 0.000 2.228 279 K HA 0.086 4.409 4.320 0.006 0.000 0.202 279 K C 0.580 177.248 176.600 0.113 0.000 1.051 279 K CA 0.836 57.286 56.287 0.272 0.000 0.960 279 K CB 0.237 32.827 32.500 0.149 0.000 0.743 279 K HN 0.424 nan 8.250 nan 0.000 0.458 280 S N -0.087 115.547 115.700 -0.109 0.000 2.901 280 S HA 0.368 4.842 4.470 0.006 0.000 0.248 280 S C -0.133 173.811 174.600 -1.093 0.000 1.021 280 S CA -0.213 57.590 58.200 -0.661 0.000 1.090 280 S CB 1.482 64.589 63.200 -0.156 0.000 1.039 280 S HN 0.504 nan 8.310 nan 0.000 0.514 281 G N 1.492 109.777 108.800 -0.859 0.000 2.491 281 G HA2 0.305 4.269 3.960 0.006 0.000 0.183 281 G HA3 0.305 4.269 3.960 0.006 0.000 0.183 281 G C -2.149 172.983 174.900 0.388 0.000 1.221 281 G CA -0.220 44.721 45.100 -0.266 0.000 0.996 281 G HN 0.441 nan 8.290 nan 0.000 0.474 282 W N -0.603 120.937 121.300 0.399 0.000 3.146 282 W HA 0.752 5.416 4.660 0.006 0.000 0.319 282 W C -1.558 175.226 176.519 0.443 0.000 1.258 282 W CA -0.780 56.780 57.345 0.358 0.000 1.189 282 W CB 0.728 30.477 29.460 0.482 0.000 1.412 282 W HN 0.742 nan 8.180 nan 0.000 0.567 283 T N 2.398 117.172 114.554 0.365 0.000 2.829 283 T HA 0.434 4.787 4.350 0.006 0.000 0.280 283 T C -0.889 174.079 174.700 0.446 0.000 0.999 283 T CA -0.174 62.025 62.100 0.165 0.000 0.983 283 T CB 1.261 70.227 68.868 0.164 0.000 0.968 283 T HN 0.415 nan 8.240 nan 0.000 0.446 284 W N 2.555 124.000 121.300 0.243 0.000 2.448 284 W HA 0.785 5.449 4.660 0.007 0.000 0.339 284 W C -0.555 176.174 176.519 0.350 0.000 1.124 284 W CA -1.313 56.277 57.345 0.409 0.000 1.262 284 W CB 0.599 30.270 29.460 0.352 0.000 1.251 284 W HN 0.522 nan 8.180 nan 0.000 0.597 285 K N 4.081 124.833 120.400 0.586 0.000 2.613 285 K HA 0.466 4.790 4.320 0.006 0.000 0.248 285 K C -1.747 174.982 176.600 0.214 0.000 0.959 285 K CA -0.568 55.926 56.287 0.345 0.000 0.855 285 K CB 0.859 33.448 32.500 0.149 0.000 1.143 285 K HN 0.774 nan 8.250 nan 0.000 0.437 286 I N 6.453 127.153 120.570 0.216 0.000 2.405 286 I HA 0.285 4.459 4.170 0.006 0.000 0.280 286 I C -2.330 173.687 176.117 -0.167 0.000 1.027 286 I CA -2.530 58.669 61.300 -0.168 0.000 1.161 286 I CB 1.742 39.693 38.000 -0.082 0.000 1.300 286 I HN 0.366 nan 8.210 nan 0.000 0.463 287 P HA 0.270 nan 4.420 nan 0.000 0.271 287 P C -0.477 176.828 177.300 0.008 0.000 1.220 287 P CA 0.226 63.249 63.100 -0.128 0.000 0.768 287 P CB 0.802 32.385 31.700 -0.195 0.000 0.848 288 M N 1.748 121.390 119.600 0.070 0.000 2.642 288 M HA 0.411 4.895 4.480 0.006 0.000 0.274 288 M C -0.370 175.995 176.300 0.109 0.000 1.052 288 M CA -1.012 54.361 55.300 0.122 0.000 0.955 288 M CB 0.736 33.416 32.600 0.133 0.000 1.638 288 M HN -0.012 nan 8.290 nan 0.000 0.539 289 L N 1.490 122.783 121.223 0.116 0.000 2.261 289 L HA 0.400 4.743 4.340 0.006 0.000 0.289 289 L C 0.782 177.719 176.870 0.112 0.000 1.059 289 L CA -0.129 54.781 54.840 0.117 0.000 0.816 289 L CB 0.185 42.308 42.059 0.107 0.000 1.191 289 L HN 1.079 nan 8.230 nan 0.000 0.431 290 G N 2.578 111.457 108.800 0.133 0.000 2.159 290 G HA2 -0.235 3.729 3.960 0.006 0.000 0.256 290 G HA3 -0.235 3.729 3.960 0.006 0.000 0.256 290 G C 0.181 175.159 174.900 0.130 0.000 0.977 290 G CA 0.425 45.604 45.100 0.132 0.000 0.652 290 G HN 0.756 nan 8.290 nan 0.000 0.531 291 R N -1.241 119.332 120.500 0.121 0.000 2.780 291 R HA 0.667 5.011 4.340 0.006 0.000 0.280 291 R C -1.458 174.888 176.300 0.077 0.000 1.016 291 R CA -0.383 55.750 56.100 0.054 0.000 0.854 291 R CB 0.227 30.513 30.300 -0.023 0.000 1.293 291 R HN 1.067 nan 8.270 nan 0.000 0.483 292 F N -1.434 118.466 119.950 -0.082 0.000 2.591 292 F HA 0.790 5.320 4.527 0.006 0.000 0.309 292 F C -0.400 175.348 175.800 -0.087 0.000 1.098 292 F CA -0.775 57.149 58.000 -0.126 0.000 0.937 292 F CB 1.915 40.774 39.000 -0.236 0.000 1.250 292 F HN 0.733 nan 8.300 nan 0.000 0.447 293 G N 0.600 109.532 108.800 0.219 0.000 2.400 293 G HA2 0.525 4.489 3.960 0.006 0.000 0.301 293 G HA3 0.525 4.489 3.960 0.006 0.000 0.301 293 G C -1.255 173.883 174.900 0.396 0.000 1.154 293 G CA -0.571 44.680 45.100 0.251 0.000 0.852 293 G HN 0.982 nan 8.290 nan 0.000 0.511 294 T N -0.714 113.954 114.554 0.190 0.000 2.982 294 T HA 0.705 5.059 4.350 0.006 0.000 0.321 294 T C -0.390 173.967 174.700 -0.572 0.000 1.229 294 T CA 0.068 62.107 62.100 -0.102 0.000 1.044 294 T CB 1.529 70.424 68.868 0.045 0.000 1.184 294 T HN 1.328 nan 8.240 nan 0.000 0.477 295 G N 2.443 110.272 108.800 -1.619 0.000 2.753 295 G HA2 0.503 4.467 3.960 0.006 0.000 0.297 295 G HA3 0.503 4.467 3.960 0.006 0.000 0.297 295 G C -2.131 172.101 174.900 -1.114 0.000 1.430 295 G CA -0.554 43.456 45.100 -1.817 0.000 1.040 295 G HN 0.636 nan 8.290 nan 0.000 0.530 296 Y N 3.484 123.192 120.300 -0.986 0.000 2.454 296 Y HA 0.535 5.088 4.550 0.006 0.000 0.345 296 Y C -0.325 175.382 175.900 -0.321 0.000 0.970 296 Y CA -1.455 56.337 58.100 -0.514 0.000 1.204 296 Y CB 1.004 39.236 38.460 -0.379 0.000 1.122 296 Y HN 0.277 nan 8.280 nan 0.000 0.514 297 V N 9.652 129.449 119.914 -0.195 0.000 2.432 297 V HA 0.209 4.333 4.120 0.006 0.000 0.271 297 V C -0.530 175.448 176.094 -0.192 0.000 1.046 297 V CA -0.192 62.011 62.300 -0.162 0.000 0.945 297 V CB -0.529 31.151 31.823 -0.238 0.000 0.992 297 V HN 0.679 nan 8.190 nan 0.000 0.471 298 Y N 2.252 122.267 120.300 -0.474 0.000 2.669 298 Y HA 0.765 5.319 4.550 0.006 0.000 0.335 298 Y C -0.190 175.541 175.900 -0.281 0.000 1.116 298 Y CA -1.684 56.085 58.100 -0.552 0.000 1.081 298 Y CB 1.670 39.540 38.460 -0.983 0.000 1.297 298 Y HN 0.349 nan 8.280 nan 0.000 0.484 299 S N 0.756 116.347 115.700 -0.181 0.000 2.422 299 S HA 0.270 4.744 4.470 0.006 0.000 0.308 299 S C 0.844 175.465 174.600 0.035 0.000 1.097 299 S CA -0.067 58.114 58.200 -0.031 0.000 1.099 299 S CB 0.222 63.602 63.200 0.299 0.000 0.976 299 S HN 1.015 nan 8.310 nan 0.000 0.471 300 S N 4.811 120.434 115.700 -0.129 0.000 2.493 300 S HA -0.147 4.327 4.470 0.006 0.000 0.243 300 S C 1.668 176.242 174.600 -0.043 0.000 0.991 300 S CA 0.845 59.013 58.200 -0.053 0.000 0.957 300 S CB -0.337 62.787 63.200 -0.128 0.000 0.756 300 S HN 0.820 nan 8.310 nan 0.000 0.521 301 R N -0.227 120.227 120.500 -0.076 0.000 2.236 301 R HA 0.184 4.528 4.340 0.006 0.000 0.208 301 R C 0.596 176.528 176.300 -0.613 0.000 1.036 301 R CA 1.001 56.898 56.100 -0.338 0.000 1.001 301 R CB -0.108 29.935 30.300 -0.428 0.000 0.896 301 R HN 0.544 nan 8.270 nan 0.000 0.464 302 F N -1.016 118.968 119.950 0.056 0.000 2.728 302 F HA 0.477 5.008 4.527 0.006 0.000 0.314 302 F C 0.105 175.930 175.800 0.042 0.000 1.094 302 F CA -0.198 57.840 58.000 0.065 0.000 1.217 302 F CB 1.235 40.305 39.000 0.117 0.000 1.056 302 F HN -0.036 nan 8.300 nan 0.000 0.577 303 A N 0.283 123.203 122.820 0.167 0.000 2.517 303 A HA 0.581 4.905 4.320 0.006 0.000 0.297 303 A C -0.060 177.561 177.584 0.062 0.000 1.050 303 A CA -0.525 51.560 52.037 0.079 0.000 0.694 303 A CB 0.399 19.401 19.000 0.002 0.000 1.277 303 A HN 0.061 nan 8.150 nan 0.000 0.400 304 T N -1.077 113.477 114.554 -0.000 0.000 2.828 304 T HA 0.303 4.657 4.350 0.006 0.000 0.290 304 T C 0.983 175.652 174.700 -0.052 0.000 1.019 304 T CA 0.490 62.590 62.100 0.001 0.000 1.031 304 T CB 1.023 69.882 68.868 -0.015 0.000 1.001 304 T HN 0.782 nan 8.240 nan 0.000 0.531 305 E N 0.428 120.624 120.200 -0.007 0.000 2.085 305 E HA -0.247 4.107 4.350 0.006 0.000 0.194 305 E C 1.238 177.768 176.600 -0.117 0.000 0.994 305 E CA 1.722 58.094 56.400 -0.047 0.000 0.801 305 E CB -0.163 29.542 29.700 0.008 0.000 0.743 305 E HN 0.710 nan 8.360 nan 0.000 0.453 306 D N 0.607 120.967 120.400 -0.067 0.000 2.104 306 D HA -0.170 4.474 4.640 0.006 0.000 0.194 306 D C 1.839 178.100 176.300 -0.065 0.000 0.994 306 D CA 1.288 55.258 54.000 -0.050 0.000 0.830 306 D CB -0.264 40.520 40.800 -0.027 0.000 0.959 306 D HN 0.371 nan 8.370 nan 0.000 0.452 307 E N 0.607 120.760 120.200 -0.078 0.000 2.118 307 E HA -0.136 4.218 4.350 0.006 0.000 0.195 307 E C 2.074 178.614 176.600 -0.099 0.000 0.992 307 E CA 1.027 57.387 56.400 -0.067 0.000 0.804 307 E CB -0.059 29.611 29.700 -0.050 0.000 0.741 307 E HN 0.204 nan 8.360 nan 0.000 0.458 308 A N 0.970 123.621 122.820 -0.281 0.000 1.898 308 A HA -0.125 4.199 4.320 0.006 0.000 0.216 308 A C 2.515 180.056 177.584 -0.072 0.000 1.181 308 A CA 1.041 52.832 52.037 -0.410 0.000 0.620 308 A CB -0.599 17.483 19.000 -1.530 0.000 0.819 308 A HN 0.111 nan 8.150 nan 0.000 0.442 309 V N 0.496 120.360 119.914 -0.083 0.000 2.295 309 V HA -0.291 3.833 4.120 0.006 0.000 0.246 309 V C 2.709 178.873 176.094 0.118 0.000 1.049 309 V CA 2.504 64.842 62.300 0.063 0.000 1.024 309 V CB -0.890 30.948 31.823 0.025 0.000 0.648 309 V HN 0.786 nan 8.190 nan 0.000 0.447 310 R N 0.815 121.342 120.500 0.044 0.000 2.070 310 R HA -0.190 4.154 4.340 0.006 0.000 0.233 310 R C 2.116 178.426 176.300 0.015 0.000 1.137 310 R CA 2.216 58.331 56.100 0.026 0.000 0.945 310 R CB -0.571 29.731 30.300 0.003 0.000 0.845 310 R HN 0.583 nan 8.270 nan 0.000 0.430 311 E N -0.524 119.688 120.200 0.021 0.000 2.085 311 E HA -0.213 4.141 4.350 0.006 0.000 0.194 311 E C 1.756 178.310 176.600 -0.076 0.000 0.994 311 E CA 1.437 57.811 56.400 -0.042 0.000 0.801 311 E CB -0.287 29.394 29.700 -0.031 0.000 0.743 311 E HN 0.359 nan 8.360 nan 0.000 0.453 312 F N 0.959 120.841 119.950 -0.113 0.000 2.113 312 F HA -0.188 4.342 4.527 0.006 0.000 0.297 312 F C 2.163 177.953 175.800 -0.016 0.000 1.103 312 F CA 1.036 58.985 58.000 -0.086 0.000 1.248 312 F CB -0.444 38.608 39.000 0.085 0.000 0.999 312 F HN 0.016 nan 8.300 nan 0.000 0.475 313 C N 0.819 120.086 119.300 -0.055 0.000 2.446 313 C HA -0.126 4.338 4.460 0.006 0.000 0.277 313 C C 2.659 177.551 174.990 -0.164 0.000 1.275 313 C CA 1.162 60.101 59.018 -0.132 0.000 1.727 313 C CB -1.145 26.595 27.740 0.001 0.000 2.010 313 C HN 0.516 nan 8.230 nan 0.000 0.486 314 E N 0.488 120.597 120.200 -0.151 0.000 2.077 314 E HA -0.281 4.073 4.350 0.006 0.000 0.193 314 E C 2.098 178.467 176.600 -0.386 0.000 0.989 314 E CA 1.337 57.632 56.400 -0.174 0.000 0.800 314 E CB -0.394 29.237 29.700 -0.116 0.000 0.746 314 E HN 0.700 nan 8.360 nan 0.000 0.452 315 M N -0.287 119.023 119.600 -0.484 0.000 2.149 315 M HA -0.188 4.296 4.480 0.006 0.000 0.261 315 M C 1.004 176.724 176.300 -0.967 0.000 1.064 315 M CA 1.823 56.676 55.300 -0.745 0.000 1.102 315 M CB -0.074 32.008 32.600 -0.864 0.000 1.369 315 M HN 0.142 nan 8.290 nan 0.000 0.408 316 W N -0.592 120.396 121.300 -0.519 0.000 3.220 316 W HA 0.194 4.857 4.660 0.006 0.000 0.328 316 W C -0.148 176.188 176.519 -0.306 0.000 1.205 316 W CA -0.528 56.579 57.345 -0.397 0.000 1.773 316 W CB 0.233 29.479 29.460 -0.356 0.000 1.086 316 W HN 0.314 nan 8.180 nan 0.000 0.622 317 H N -0.106 118.993 119.070 0.048 0.000 2.748 317 H HA -0.144 4.416 4.556 0.006 0.000 0.322 317 H C -0.428 174.920 175.328 0.033 0.000 1.208 317 H CA 0.860 56.925 56.048 0.029 0.000 1.151 317 H CB -2.068 27.720 29.762 0.043 0.000 1.505 317 H HN 0.205 nan 8.280 nan 0.000 0.429 318 L N 0.353 121.611 121.223 0.060 0.000 2.333 318 L HA 0.356 4.699 4.340 0.006 0.000 0.269 318 L C 0.784 177.669 176.870 0.026 0.000 1.010 318 L CA -0.924 53.937 54.840 0.034 0.000 0.818 318 L CB 1.872 43.925 42.059 -0.011 0.000 1.306 318 L HN -0.000 nan 8.230 nan 0.000 0.430 319 D N 2.486 122.902 120.400 0.026 0.000 2.336 319 D HA 0.170 4.814 4.640 0.006 0.000 0.249 319 D C -1.792 174.524 176.300 0.028 0.000 1.213 319 D CA -1.872 52.143 54.000 0.025 0.000 0.870 319 D CB 1.736 42.549 40.800 0.022 0.000 1.076 319 D HN 0.160 nan 8.370 nan 0.000 0.483 320 P HA -0.126 nan 4.420 nan 0.000 0.217 320 P C 0.865 178.186 177.300 0.034 0.000 1.148 320 P CA 0.884 64.008 63.100 0.040 0.000 0.828 320 P CB 0.387 32.106 31.700 0.033 0.000 0.783 321 E N -1.370 118.845 120.200 0.025 0.000 2.358 321 E HA -0.047 4.307 4.350 0.006 0.000 0.195 321 E C 1.530 178.142 176.600 0.020 0.000 1.010 321 E CA 1.566 57.978 56.400 0.020 0.000 0.856 321 E CB -0.462 29.247 29.700 0.015 0.000 0.795 321 E HN 0.419 nan 8.360 nan 0.000 0.504 322 T N -3.556 111.012 114.554 0.022 0.000 3.009 322 T HA 0.076 4.429 4.350 0.006 0.000 0.267 322 T C 0.747 175.460 174.700 0.022 0.000 0.942 322 T CA -0.420 61.692 62.100 0.020 0.000 0.883 322 T CB 0.296 69.173 68.868 0.015 0.000 1.192 322 T HN -0.175 nan 8.240 nan 0.000 0.524 323 Q N 4.448 124.264 119.800 0.028 0.000 2.289 323 Q HA 0.308 4.652 4.340 0.006 0.000 0.273 323 Q C -2.497 173.528 176.000 0.041 0.000 1.029 323 Q CA -2.002 53.819 55.803 0.030 0.000 0.896 323 Q CB 0.623 29.383 28.738 0.037 0.000 1.182 323 Q HN 0.230 nan 8.270 nan 0.000 0.385 324 P HA 0.050 nan 4.420 nan 0.000 0.270 324 P C -1.088 176.250 177.300 0.063 0.000 1.242 324 P CA 0.396 63.522 63.100 0.042 0.000 0.768 324 P CB 0.395 32.115 31.700 0.033 0.000 0.820 325 L N 3.691 124.953 121.223 0.067 0.000 2.354 325 L HA 0.431 4.775 4.340 0.006 0.000 0.269 325 L C 0.553 177.456 176.870 0.055 0.000 1.005 325 L CA -0.679 54.209 54.840 0.079 0.000 0.819 325 L CB 2.130 44.240 42.059 0.086 0.000 1.311 325 L HN 0.261 nan 8.230 nan 0.000 0.423 326 N N 1.762 120.490 118.700 0.047 0.000 2.469 326 N HA 0.382 5.126 4.740 0.006 0.000 0.253 326 N C -1.064 174.441 175.510 -0.008 0.000 0.970 326 N CA -0.732 52.343 53.050 0.042 0.000 0.940 326 N CB 1.203 39.743 38.487 0.088 0.000 1.128 326 N HN 0.391 nan 8.380 nan 0.000 0.503 327 R N 2.700 123.190 120.500 -0.017 0.000 2.207 327 R HA 0.477 4.821 4.340 0.006 0.000 0.334 327 R C -0.729 175.520 176.300 -0.086 0.000 1.013 327 R CA -0.309 55.758 56.100 -0.055 0.000 0.858 327 R CB 0.855 31.133 30.300 -0.037 0.000 1.094 327 R HN 0.431 nan 8.270 nan 0.000 0.457 328 I N 1.998 122.463 120.570 -0.175 0.000 2.608 328 I HA 0.423 4.596 4.170 0.006 0.000 0.295 328 I C -0.369 175.439 176.117 -0.516 0.000 1.049 328 I CA -0.965 60.169 61.300 -0.276 0.000 1.063 328 I CB 1.921 39.767 38.000 -0.257 0.000 1.248 328 I HN 0.297 nan 8.210 nan 0.000 0.424 329 R N 4.918 125.150 120.500 -0.447 0.000 2.393 329 R HA 0.606 4.950 4.340 0.006 0.000 0.315 329 R C -1.790 174.180 176.300 -0.550 0.000 0.952 329 R CA -0.511 55.290 56.100 -0.498 0.000 0.842 329 R CB 0.405 30.522 30.300 -0.304 0.000 1.163 329 R HN 0.306 nan 8.270 nan 0.000 0.450 330 F N 2.183 121.866 119.950 -0.445 0.000 2.380 330 F HA 0.529 5.060 4.527 0.007 0.000 0.321 330 F C 0.891 176.154 175.800 -0.896 0.000 1.103 330 F CA -0.751 56.737 58.000 -0.852 0.000 1.067 330 F CB 0.784 39.458 39.000 -0.543 0.000 1.265 330 F HN 0.329 nan 8.300 nan 0.000 0.517 331 R N 1.273 121.076 120.500 -1.162 0.000 2.272 331 R HA 0.586 4.930 4.340 0.006 0.000 0.323 331 R C -1.990 174.292 176.300 -0.031 0.000 1.002 331 R CA -0.325 55.401 56.100 -0.623 0.000 0.900 331 R CB 0.676 30.490 30.300 -0.809 0.000 1.151 331 R HN 0.537 nan 8.270 nan 0.000 0.507 332 V N 4.689 124.771 119.914 0.280 0.000 2.407 332 V HA 0.744 4.868 4.120 0.006 0.000 0.278 332 V C 0.893 177.380 176.094 0.655 0.000 1.037 332 V CA 0.478 63.121 62.300 0.572 0.000 0.900 332 V CB 0.913 33.013 31.823 0.462 0.000 0.983 332 V HN 1.086 nan 8.190 nan 0.000 0.459 333 G N 5.179 114.369 108.800 0.650 0.000 2.260 333 G HA2 0.230 4.194 3.960 0.006 0.000 0.250 333 G HA3 0.230 4.194 3.960 0.006 0.000 0.250 333 G C -0.945 173.634 174.900 -0.535 0.000 1.340 333 G CA -0.292 44.903 45.100 0.159 0.000 1.056 333 G HN 1.049 nan 8.290 nan 0.000 0.471 334 R N -0.709 119.112 120.500 -1.132 0.000 2.710 334 R HA 0.606 4.949 4.340 0.006 0.000 0.270 334 R C -0.962 174.819 176.300 -0.866 0.000 1.021 334 R CA -1.070 54.462 56.100 -0.948 0.000 0.889 334 R CB 0.667 30.353 30.300 -1.023 0.000 1.243 334 R HN 0.477 nan 8.270 nan 0.000 0.464 335 N N 1.141 119.644 118.700 -0.328 0.000 2.453 335 N HA 0.015 4.759 4.740 0.006 0.000 0.253 335 N C 0.561 175.980 175.510 -0.152 0.000 1.252 335 N CA -0.124 52.852 53.050 -0.123 0.000 0.917 335 N CB 0.920 39.443 38.487 0.060 0.000 1.117 335 N HN 0.635 nan 8.380 nan 0.000 0.442 336 R N 0.988 121.436 120.500 -0.087 0.000 2.105 336 R HA -0.080 4.263 4.340 0.006 0.000 0.239 336 R C -0.169 176.112 176.300 -0.031 0.000 1.135 336 R CA 1.451 57.515 56.100 -0.061 0.000 0.967 336 R CB 0.281 30.565 30.300 -0.026 0.000 0.861 336 R HN 0.506 nan 8.270 nan 0.000 0.442 337 R N -1.981 118.520 120.500 0.002 0.000 2.564 337 R HA 0.314 4.658 4.340 0.006 0.000 0.284 337 R C -0.092 176.265 176.300 0.095 0.000 1.031 337 R CA 0.003 56.128 56.100 0.042 0.000 0.904 337 R CB 1.864 32.189 30.300 0.041 0.000 1.199 337 R HN 0.067 nan 8.270 nan 0.000 0.443 338 A N 2.717 125.630 122.820 0.155 0.000 1.929 338 A HA -0.053 4.271 4.320 0.006 0.000 0.216 338 A C -0.010 177.767 177.584 0.321 0.000 1.176 338 A CA 0.955 53.131 52.037 0.232 0.000 0.628 338 A CB 0.071 19.253 19.000 0.303 0.000 0.816 338 A HN 0.653 nan 8.150 nan 0.000 0.444 339 W N 0.026 121.390 121.300 0.107 0.000 2.600 339 W HA 0.571 5.234 4.660 0.006 0.000 0.325 339 W C -1.883 174.622 176.519 -0.024 0.000 1.034 339 W CA -1.661 55.669 57.345 -0.026 0.000 1.226 339 W CB 1.339 30.685 29.460 -0.191 0.000 1.379 339 W HN -0.089 nan 8.180 nan 0.000 0.466 340 V N 7.459 127.604 119.914 0.385 0.000 2.638 340 V HA 0.720 4.844 4.120 0.006 0.000 0.306 340 V C 0.788 176.996 176.094 0.191 0.000 1.052 340 V CA 0.079 62.470 62.300 0.152 0.000 0.885 340 V CB 0.957 32.833 31.823 0.088 0.000 0.999 340 V HN 1.050 nan 8.190 nan 0.000 0.424 341 G N 4.883 113.725 108.800 0.070 0.000 2.629 341 G HA2 -0.327 3.637 3.960 0.006 0.000 0.313 341 G HA3 -0.327 3.637 3.960 0.006 0.000 0.313 341 G C 0.441 175.494 174.900 0.255 0.000 1.217 341 G CA 0.785 45.940 45.100 0.092 0.000 0.994 341 G HN 1.308 nan 8.290 nan 0.000 0.549 342 N N 0.239 119.074 118.700 0.224 0.000 2.328 342 N HA 0.315 5.059 4.740 0.006 0.000 0.247 342 N C -0.163 175.456 175.510 0.183 0.000 1.165 342 N CA 0.600 53.803 53.050 0.254 0.000 0.873 342 N CB 0.092 38.707 38.487 0.212 0.000 1.125 342 N HN 0.884 nan 8.380 nan 0.000 0.513 343 C N 1.282 120.678 119.300 0.160 0.000 2.291 343 C HA 0.617 5.081 4.460 0.006 0.000 0.322 343 C C -0.511 174.445 174.990 -0.056 0.000 1.205 343 C CA -0.408 58.643 59.018 0.054 0.000 1.495 343 C CB -0.513 27.255 27.740 0.047 0.000 2.127 343 C HN 0.200 nan 8.230 nan 0.000 0.452 344 V N 6.836 126.574 119.914 -0.293 0.000 2.370 344 V HA 0.504 4.627 4.120 0.006 0.000 0.279 344 V C 0.487 176.485 176.094 -0.159 0.000 1.029 344 V CA -0.168 61.885 62.300 -0.412 0.000 0.870 344 V CB 1.648 32.968 31.823 -0.839 0.000 0.984 344 V HN 0.957 nan 8.190 nan 0.000 0.451 345 S N 6.213 121.899 115.700 -0.025 0.000 2.499 345 S HA 0.728 5.201 4.470 0.006 0.000 0.279 345 S C -0.683 173.937 174.600 0.033 0.000 1.219 345 S CA -0.628 57.581 58.200 0.015 0.000 1.062 345 S CB 0.991 64.228 63.200 0.062 0.000 0.978 345 S HN 0.456 nan 8.310 nan 0.000 0.489 346 I N 2.678 123.247 120.570 -0.002 0.000 2.498 346 I HA 0.704 4.878 4.170 0.006 0.000 0.290 346 I C 0.960 177.073 176.117 -0.006 0.000 1.032 346 I CA 0.345 61.643 61.300 -0.003 0.000 1.073 346 I CB 0.749 38.724 38.000 -0.043 0.000 1.251 346 I HN 1.154 nan 8.210 nan 0.000 0.426 347 G N 4.922 113.732 108.800 0.017 0.000 2.482 347 G HA2 -0.253 3.711 3.960 0.006 0.000 0.214 347 G HA3 -0.253 3.711 3.960 0.006 0.000 0.214 347 G C 0.641 175.590 174.900 0.082 0.000 1.271 347 G CA 0.112 45.233 45.100 0.035 0.000 0.944 347 G HN 0.734 nan 8.290 nan 0.000 0.568 348 T N -1.077 113.498 114.554 0.035 0.000 3.051 348 T HA 0.090 4.443 4.350 0.006 0.000 0.269 348 T C 2.537 177.287 174.700 0.084 0.000 1.127 348 T CA 2.339 64.469 62.100 0.049 0.000 1.107 348 T CB -0.450 68.184 68.868 -0.390 0.000 0.898 348 T HN 1.819 nan 8.240 nan 0.000 0.517 349 S N 1.134 116.855 115.700 0.034 0.000 2.428 349 S HA -0.042 4.432 4.470 0.006 0.000 0.230 349 S C 2.205 176.882 174.600 0.128 0.000 1.014 349 S CA 0.853 59.091 58.200 0.063 0.000 0.957 349 S CB -0.498 62.713 63.200 0.018 0.000 0.784 349 S HN 0.533 nan 8.310 nan 0.000 0.499 350 S N 0.721 116.491 115.700 0.117 0.000 2.355 350 S HA 0.162 4.636 4.470 0.006 0.000 0.216 350 S C 0.838 175.499 174.600 0.102 0.000 1.037 350 S CA 0.665 58.926 58.200 0.101 0.000 0.955 350 S CB -0.547 62.684 63.200 0.052 0.000 0.877 350 S HN 0.997 nan 8.310 nan 0.000 0.488 351 C N -0.824 118.544 119.300 0.113 0.000 3.285 351 C HA 0.868 5.332 4.460 0.006 0.000 0.325 351 C C -1.259 173.982 174.990 0.418 0.000 1.304 351 C CA -1.552 57.491 59.018 0.042 0.000 1.319 351 C CB 0.427 27.837 27.740 -0.550 0.000 1.640 351 C HN 0.513 nan 8.230 nan 0.000 0.477 352 F N 0.898 121.087 119.950 0.399 0.000 2.650 352 F HA 0.763 5.294 4.527 0.007 0.000 0.310 352 F C -1.427 174.764 175.800 0.652 0.000 1.112 352 F CA -0.589 57.748 58.000 0.561 0.000 0.986 352 F CB 1.588 40.925 39.000 0.562 0.000 1.285 352 F HN 0.918 nan 8.300 nan 0.000 0.440 353 V N 5.425 125.088 119.914 -0.418 0.000 2.971 353 V HA 0.389 4.513 4.120 0.006 0.000 0.309 353 V C -1.087 174.461 176.094 -0.910 0.000 1.130 353 V CA -0.648 61.488 62.300 -0.273 0.000 0.964 353 V CB 2.101 33.942 31.823 0.030 0.000 1.029 353 V HN 0.873 nan 8.190 nan 0.000 0.427 354 E N 6.990 126.996 120.200 -0.322 0.000 2.481 354 E HA 0.041 4.395 4.350 0.006 0.000 0.263 354 E C -2.021 174.586 176.600 0.011 0.000 0.992 354 E CA -0.886 55.478 56.400 -0.060 0.000 0.938 354 E CB 0.354 30.322 29.700 0.447 0.000 0.933 354 E HN 0.545 nan 8.360 nan 0.000 0.453 355 P HA -0.068 nan 4.420 nan 0.000 0.285 355 P C 0.825 178.314 177.300 0.316 0.000 1.521 355 P CA 0.007 63.189 63.100 0.137 0.000 0.792 355 P CB -0.032 31.666 31.700 -0.004 0.000 1.613 356 L N 0.408 121.781 121.223 0.249 0.000 2.187 356 L HA -0.071 4.272 4.340 0.006 0.000 0.213 356 L C 1.465 178.223 176.870 -0.188 0.000 1.100 356 L CA 1.984 56.656 54.840 -0.281 0.000 0.765 356 L CB -0.535 41.228 42.059 -0.493 0.000 0.904 356 L HN -0.086 nan 8.230 nan 0.000 0.437 357 E N -0.921 119.253 120.200 -0.044 0.000 2.734 357 E HA 0.222 4.576 4.350 0.006 0.000 0.211 357 E C 0.123 176.832 176.600 0.181 0.000 0.991 357 E CA 0.371 56.834 56.400 0.106 0.000 1.065 357 E CB 0.342 30.147 29.700 0.175 0.000 1.047 357 E HN 0.306 nan 8.360 nan 0.000 0.470 358 S N 0.342 116.097 115.700 0.092 0.000 3.628 358 S HA -0.164 4.310 4.470 0.006 0.000 0.373 358 S C 1.108 175.746 174.600 0.063 0.000 0.968 358 S CA 1.163 59.410 58.200 0.079 0.000 1.215 358 S CB -1.969 61.318 63.200 0.145 0.000 0.912 358 S HN 0.508 nan 8.310 nan 0.000 0.495 359 T N -2.943 111.565 114.554 -0.077 0.000 3.040 359 T HA 0.358 4.712 4.350 0.006 0.000 0.250 359 T C 2.000 176.390 174.700 -0.517 0.000 1.058 359 T CA 0.680 62.609 62.100 -0.284 0.000 0.988 359 T CB 0.135 68.650 68.868 -0.589 0.000 0.993 359 T HN 0.584 nan 8.240 nan 0.000 0.519 360 G N 2.733 111.343 108.800 -0.317 0.000 2.586 360 G HA2 -0.191 3.773 3.960 0.006 0.000 0.218 360 G HA3 -0.191 3.773 3.960 0.006 0.000 0.218 360 G C 1.363 176.199 174.900 -0.107 0.000 1.216 360 G CA 1.181 46.171 45.100 -0.184 0.000 0.786 360 G HN 0.558 nan 8.290 nan 0.000 0.583 361 I N -0.639 119.892 120.570 -0.065 0.000 2.439 361 I HA -0.086 4.088 4.170 0.006 0.000 0.251 361 I C 2.455 178.376 176.117 -0.327 0.000 1.139 361 I CA 0.912 62.168 61.300 -0.073 0.000 1.438 361 I CB -0.252 37.799 38.000 0.085 0.000 1.085 361 I HN 0.280 nan 8.210 nan 0.000 0.427 362 Y N 1.556 121.571 120.300 -0.476 0.000 2.165 362 Y HA -0.296 4.258 4.550 0.006 0.000 0.286 362 Y C 2.206 177.724 175.900 -0.637 0.000 1.155 362 Y CA 1.501 59.050 58.100 -0.918 0.000 1.164 362 Y CB -0.474 37.761 38.460 -0.375 0.000 0.978 362 Y HN 0.006 nan 8.280 nan 0.000 0.513 363 F N -0.609 119.006 119.950 -0.558 0.000 2.250 363 F HA -0.186 4.344 4.527 0.006 0.000 0.301 363 F C 2.382 177.924 175.800 -0.430 0.000 1.077 363 F CA 0.903 58.627 58.000 -0.459 0.000 1.348 363 F CB -1.226 37.704 39.000 -0.116 0.000 1.040 363 F HN 0.016 nan 8.300 nan 0.000 0.509 364 V N -0.368 119.401 119.914 -0.241 0.000 2.273 364 V HA -0.277 3.847 4.120 0.006 0.000 0.242 364 V C 2.249 178.157 176.094 -0.310 0.000 1.035 364 V CA 1.905 64.070 62.300 -0.224 0.000 1.013 364 V CB -1.176 30.534 31.823 -0.187 0.000 0.652 364 V HN 0.386 nan 8.190 nan 0.000 0.452 365 Y N 1.137 121.220 120.300 -0.362 0.000 2.439 365 Y HA 0.219 4.773 4.550 0.007 0.000 0.292 365 Y C 2.270 177.873 175.900 -0.495 0.000 1.130 365 Y CA 0.747 58.569 58.100 -0.463 0.000 1.254 365 Y CB -1.312 36.898 38.460 -0.418 0.000 1.000 365 Y HN 0.075 nan 8.280 nan 0.000 0.554 366 A N 1.487 124.040 122.820 -0.446 0.000 1.898 366 A HA 0.041 4.365 4.320 0.006 0.000 0.216 366 A C 2.505 180.017 177.584 -0.119 0.000 1.181 366 A CA 1.799 53.735 52.037 -0.168 0.000 0.620 366 A CB -1.320 17.425 19.000 -0.425 0.000 0.819 366 A HN 0.597 nan 8.150 nan 0.000 0.442 367 A N -0.378 122.331 122.820 -0.185 0.000 1.930 367 A HA 0.027 4.351 4.320 0.006 0.000 0.217 367 A C 2.132 179.707 177.584 -0.015 0.000 1.175 367 A CA 1.356 53.334 52.037 -0.097 0.000 0.627 367 A CB -0.540 18.424 19.000 -0.061 0.000 0.815 367 A HN 0.459 nan 8.150 nan 0.000 0.443 368 L N -2.089 119.007 121.223 -0.211 0.000 2.141 368 L HA -0.164 4.180 4.340 0.006 0.000 0.209 368 L C 2.547 179.155 176.870 -0.437 0.000 1.094 368 L CA 1.549 56.172 54.840 -0.361 0.000 0.763 368 L CB -0.553 41.099 42.059 -0.680 0.000 0.908 368 L HN 0.625 nan 8.230 nan 0.000 0.437 369 Y N 0.582 120.515 120.300 -0.611 0.000 2.242 369 Y HA -0.242 4.311 4.550 0.006 0.000 0.291 369 Y C 2.670 178.522 175.900 -0.079 0.000 1.137 369 Y CA 1.416 59.276 58.100 -0.400 0.000 1.181 369 Y CB 0.002 38.112 38.460 -0.583 0.000 0.989 369 Y HN 0.145 nan 8.280 nan 0.000 0.527 370 Q N -0.205 119.655 119.800 0.100 0.000 2.230 370 Q HA -0.109 4.235 4.340 0.006 0.000 0.202 370 Q C 2.268 178.570 176.000 0.504 0.000 0.963 370 Q CA 1.133 57.068 55.803 0.221 0.000 0.866 370 Q CB -0.509 28.207 28.738 -0.036 0.000 0.931 370 Q HN 0.532 nan 8.270 nan 0.000 0.452 371 L N -0.015 121.460 121.223 0.421 0.000 2.044 371 L HA -0.084 4.260 4.340 0.006 0.000 0.205 371 L C 2.131 179.168 176.870 0.279 0.000 1.075 371 L CA 1.345 56.338 54.840 0.254 0.000 0.747 371 L CB -0.713 41.347 42.059 0.002 0.000 0.903 371 L HN -0.089 nan 8.230 nan 0.000 0.435 372 V N 0.506 120.522 119.914 0.172 0.000 2.343 372 V HA -0.298 3.826 4.120 0.006 0.000 0.247 372 V C 2.654 178.801 176.094 0.089 0.000 1.051 372 V CA 2.076 64.447 62.300 0.118 0.000 1.036 372 V CB -0.823 31.012 31.823 0.020 0.000 0.654 372 V HN 0.653 nan 8.190 nan 0.000 0.451 373 K N 0.192 120.573 120.400 -0.031 0.000 2.148 373 K HA -0.184 4.140 4.320 0.006 0.000 0.204 373 K C 1.396 177.949 176.600 -0.078 0.000 1.050 373 K CA 1.836 58.047 56.287 -0.126 0.000 0.942 373 K CB -0.283 32.043 32.500 -0.291 0.000 0.724 373 K HN 0.597 nan 8.250 nan 0.000 0.446 374 H N -0.806 118.376 119.070 0.188 0.000 2.488 374 H HA 0.232 4.792 4.556 0.007 0.000 0.294 374 H C -1.087 174.413 175.328 0.285 0.000 1.088 374 H CA -0.753 55.444 56.048 0.250 0.000 1.086 374 H CB -0.286 29.701 29.762 0.374 0.000 1.569 374 H HN 0.051 nan 8.280 nan 0.000 0.548 375 F N 4.266 124.312 119.950 0.160 0.000 2.608 375 F HA 0.104 4.635 4.527 0.007 0.000 0.380 375 F C -1.729 174.159 175.800 0.147 0.000 1.083 375 F CA -2.028 56.037 58.000 0.108 0.000 1.266 375 F CB 0.639 39.655 39.000 0.027 0.000 1.076 375 F HN 0.162 nan 8.300 nan 0.000 0.574 376 P HA 0.320 nan 4.420 nan 0.000 0.287 376 P C -1.658 175.572 177.300 -0.116 0.000 1.296 376 P CA -0.473 62.572 63.100 -0.092 0.000 0.811 376 P CB 1.917 33.628 31.700 0.018 0.000 1.211 377 D N -1.737 118.650 120.400 -0.022 0.000 2.689 377 D HA 0.277 4.921 4.640 0.006 0.000 0.255 377 D C 0.831 177.128 176.300 -0.005 0.000 1.113 377 D CA -0.729 53.277 54.000 0.010 0.000 1.115 377 D CB 0.454 41.278 40.800 0.040 0.000 1.334 377 D HN 0.084 nan 8.370 nan 0.000 0.621 378 K N -0.694 119.712 120.400 0.010 0.000 2.360 378 K HA -0.080 4.244 4.320 0.006 0.000 0.201 378 K C 1.750 178.358 176.600 0.014 0.000 1.046 378 K CA 1.311 57.606 56.287 0.013 0.000 0.945 378 K CB -0.179 32.332 32.500 0.018 0.000 0.750 378 K HN 0.467 nan 8.250 nan 0.000 0.464 379 S N 0.425 116.130 115.700 0.010 0.000 2.489 379 S HA -0.038 4.436 4.470 0.006 0.000 0.228 379 S C 0.603 175.200 174.600 -0.004 0.000 0.995 379 S CA 0.065 58.267 58.200 0.004 0.000 0.934 379 S CB -0.140 63.061 63.200 0.002 0.000 0.771 379 S HN 0.189 nan 8.310 nan 0.000 0.522 380 L N 2.156 123.379 121.223 -0.000 0.000 3.632 380 L HA -0.117 4.227 4.340 0.006 0.000 0.510 380 L C 0.134 176.966 176.870 -0.064 0.000 1.299 380 L CA -0.007 54.826 54.840 -0.010 0.000 0.829 380 L CB -2.970 39.094 42.059 0.007 0.000 1.559 380 L HN 0.580 nan 8.230 nan 0.000 0.857 381 N N 1.979 120.646 118.700 -0.054 0.000 2.374 381 N HA -0.025 4.719 4.740 0.006 0.000 0.269 381 N C -1.051 174.377 175.510 -0.137 0.000 1.310 381 N CA -0.641 52.368 53.050 -0.068 0.000 0.877 381 N CB 0.987 39.453 38.487 -0.035 0.000 1.096 381 N HN 0.196 nan 8.380 nan 0.000 0.484 382 P HA -0.160 nan 4.420 nan 0.000 0.217 382 P C 1.330 178.519 177.300 -0.185 0.000 1.148 382 P CA 0.786 63.777 63.100 -0.182 0.000 0.828 382 P CB 0.340 31.970 31.700 -0.118 0.000 0.783 383 V N -0.922 118.925 119.914 -0.113 0.000 2.427 383 V HA -0.209 3.915 4.120 0.006 0.000 0.248 383 V C 2.383 178.445 176.094 -0.053 0.000 1.051 383 V CA 1.500 63.761 62.300 -0.066 0.000 1.048 383 V CB -1.193 30.618 31.823 -0.020 0.000 0.666 383 V HN 0.095 nan 8.190 nan 0.000 0.456 384 L N -0.239 120.938 121.223 -0.076 0.000 2.017 384 L HA -0.157 4.187 4.340 0.006 0.000 0.208 384 L C 2.682 179.423 176.870 -0.214 0.000 1.073 384 L CA 1.974 56.819 54.840 0.009 0.000 0.745 384 L CB -1.122 40.956 42.059 0.031 0.000 0.894 384 L HN 0.315 nan 8.230 nan 0.000 0.432 385 T N 0.004 114.161 114.554 -0.661 0.000 2.746 385 T HA -0.176 4.177 4.350 0.006 0.000 0.267 385 T C 2.004 176.465 174.700 -0.399 0.000 1.039 385 T CA 1.416 62.873 62.100 -1.072 0.000 1.142 385 T CB -0.233 67.871 68.868 -1.274 0.000 0.866 385 T HN 0.446 nan 8.240 nan 0.000 0.444 386 A N 1.788 124.460 122.820 -0.246 0.000 1.898 386 A HA -0.077 4.246 4.320 0.006 0.000 0.216 386 A C 2.417 179.970 177.584 -0.052 0.000 1.181 386 A CA 1.009 52.977 52.037 -0.114 0.000 0.620 386 A CB -0.352 18.596 19.000 -0.086 0.000 0.819 386 A HN 0.232 nan 8.150 nan 0.000 0.442 387 R N -1.579 118.903 120.500 -0.031 0.000 2.096 387 R HA -0.114 4.230 4.340 0.006 0.000 0.235 387 R C 1.970 178.164 176.300 -0.176 0.000 1.127 387 R CA 1.471 57.566 56.100 -0.008 0.000 0.968 387 R CB -0.923 29.475 30.300 0.164 0.000 0.861 387 R HN 0.655 nan 8.270 nan 0.000 0.440 388 F N 2.700 122.387 119.950 -0.438 0.000 2.102 388 F HA -0.189 4.341 4.527 0.006 0.000 0.298 388 F C 1.852 177.571 175.800 -0.135 0.000 1.105 388 F CA 1.496 59.242 58.000 -0.423 0.000 1.239 388 F CB -0.312 38.667 39.000 -0.034 0.000 0.991 388 F HN -0.046 nan 8.300 nan 0.000 0.474 389 N N 0.570 119.348 118.700 0.130 0.000 2.223 389 N HA -0.195 4.549 4.740 0.006 0.000 0.185 389 N C 1.985 177.458 175.510 -0.061 0.000 1.016 389 N CA 1.252 54.335 53.050 0.054 0.000 0.863 389 N CB -0.515 38.025 38.487 0.088 0.000 0.983 389 N HN 0.387 nan 8.380 nan 0.000 0.429 390 R N 1.098 121.563 120.500 -0.058 0.000 2.066 390 R HA -0.034 4.309 4.340 0.006 0.000 0.232 390 R C 1.615 177.898 176.300 -0.029 0.000 1.131 390 R CA 1.032 57.115 56.100 -0.029 0.000 0.955 390 R CB 0.138 30.438 30.300 -0.000 0.000 0.851 390 R HN 0.108 nan 8.270 nan 0.000 0.432 391 E N 0.663 120.819 120.200 -0.073 0.000 2.077 391 E HA -0.200 4.154 4.350 0.006 0.000 0.193 391 E C 2.015 178.622 176.600 0.012 0.000 0.989 391 E CA 0.992 57.406 56.400 0.024 0.000 0.800 391 E CB -0.154 29.491 29.700 -0.092 0.000 0.746 391 E HN 0.356 nan 8.360 nan 0.000 0.452 392 I N 1.360 121.795 120.570 -0.225 0.000 2.179 392 I HA -0.216 3.957 4.170 0.006 0.000 0.242 392 I C 2.524 178.576 176.117 -0.109 0.000 1.088 392 I CA 1.085 62.245 61.300 -0.233 0.000 1.357 392 I CB -1.184 36.600 38.000 -0.359 0.000 1.051 392 I HN 0.221 nan 8.210 nan 0.000 0.409 393 E N 0.899 121.058 120.200 -0.069 0.000 2.085 393 E HA -0.263 4.091 4.350 0.006 0.000 0.194 393 E C 2.118 178.745 176.600 0.045 0.000 0.994 393 E CA 2.506 58.903 56.400 -0.006 0.000 0.801 393 E CB 0.069 29.764 29.700 -0.008 0.000 0.743 393 E HN 0.595 nan 8.360 nan 0.000 0.453 394 T N -1.127 113.445 114.554 0.029 0.000 2.942 394 T HA -0.119 4.235 4.350 0.006 0.000 0.265 394 T C 2.010 176.715 174.700 0.009 0.000 1.062 394 T CA 1.023 63.145 62.100 0.035 0.000 1.139 394 T CB -0.253 68.639 68.868 0.039 0.000 0.883 394 T HN 0.202 nan 8.240 nan 0.000 0.468 395 M N -0.181 119.393 119.600 -0.044 0.000 2.080 395 M HA -0.011 4.473 4.480 0.006 0.000 0.260 395 M C 2.042 178.325 176.300 -0.028 0.000 1.068 395 M CA 1.883 57.096 55.300 -0.144 0.000 1.109 395 M CB -0.383 32.106 32.600 -0.185 0.000 1.342 395 M HN 0.313 nan 8.290 nan 0.000 0.405 396 F N 1.426 121.238 119.950 -0.230 0.000 2.060 396 F HA -0.208 4.323 4.527 0.006 0.000 0.295 396 F C 1.774 177.600 175.800 0.044 0.000 1.120 396 F CA 2.099 59.985 58.000 -0.189 0.000 1.205 396 F CB -0.581 38.256 39.000 -0.272 0.000 0.986 396 F HN 0.223 nan 8.300 nan 0.000 0.470 397 D N 0.418 120.870 120.400 0.088 0.000 2.158 397 D HA -0.191 4.452 4.640 0.006 0.000 0.197 397 D C 1.828 178.116 176.300 -0.021 0.000 0.995 397 D CA 1.583 55.585 54.000 0.003 0.000 0.846 397 D CB -0.557 40.285 40.800 0.070 0.000 0.941 397 D HN 0.347 nan 8.370 nan 0.000 0.456 398 D N -0.507 119.942 120.400 0.082 0.000 2.144 398 D HA -0.067 4.577 4.640 0.006 0.000 0.200 398 D C 1.947 178.416 176.300 0.282 0.000 0.978 398 D CA 0.995 55.117 54.000 0.204 0.000 0.833 398 D CB -0.302 40.674 40.800 0.293 0.000 0.961 398 D HN 0.157 nan 8.370 nan 0.000 0.470 399 T N 0.329 115.091 114.554 0.347 0.000 2.857 399 T HA -0.104 4.250 4.350 0.006 0.000 0.266 399 T C 1.891 176.609 174.700 0.031 0.000 1.048 399 T CA 0.642 62.990 62.100 0.414 0.000 1.139 399 T CB 0.135 69.380 68.868 0.629 0.000 0.874 399 T HN 0.127 nan 8.240 nan 0.000 0.455 400 R N 1.150 121.524 120.500 -0.209 0.000 2.080 400 R HA -0.165 4.179 4.340 0.006 0.000 0.236 400 R C 1.775 178.013 176.300 -0.102 0.000 1.137 400 R CA 2.052 57.998 56.100 -0.257 0.000 0.943 400 R CB -0.362 29.712 30.300 -0.377 0.000 0.846 400 R HN 0.276 nan 8.270 nan 0.000 0.431 401 D N -0.010 120.342 120.400 -0.080 0.000 2.097 401 D HA -0.183 4.461 4.640 0.006 0.000 0.195 401 D C 1.640 177.969 176.300 0.048 0.000 0.989 401 D CA 1.079 55.056 54.000 -0.039 0.000 0.827 401 D CB -0.495 40.299 40.800 -0.009 0.000 0.966 401 D HN 0.183 nan 8.370 nan 0.000 0.456 402 F N 1.514 121.369 119.950 -0.160 0.000 2.095 402 F HA -0.149 4.382 4.527 0.007 0.000 0.298 402 F C 2.216 177.940 175.800 -0.127 0.000 1.104 402 F CA 1.048 58.880 58.000 -0.280 0.000 1.232 402 F CB -0.448 38.043 39.000 -0.850 0.000 0.987 402 F HN -0.108 nan 8.300 nan 0.000 0.475 403 I N -0.028 120.409 120.570 -0.221 0.000 2.226 403 I HA -0.330 3.844 4.170 0.006 0.000 0.245 403 I C 2.551 178.684 176.117 0.026 0.000 1.100 403 I CA 1.704 62.808 61.300 -0.327 0.000 1.374 403 I CB -0.722 37.171 38.000 -0.178 0.000 1.057 403 I HN 0.268 nan 8.210 nan 0.000 0.413 404 Q N 1.438 121.308 119.800 0.116 0.000 2.135 404 Q HA -0.252 4.092 4.340 0.006 0.000 0.204 404 Q C 2.225 178.372 176.000 0.244 0.000 0.981 404 Q CA 2.075 58.020 55.803 0.237 0.000 0.856 404 Q CB -0.150 28.666 28.738 0.131 0.000 0.902 404 Q HN 0.529 nan 8.270 nan 0.000 0.425 405 A N -0.006 122.892 122.820 0.129 0.000 2.019 405 A HA -0.212 4.112 4.320 0.006 0.000 0.219 405 A C 1.434 179.078 177.584 0.101 0.000 1.164 405 A CA 1.623 53.764 52.037 0.173 0.000 0.644 405 A CB -0.797 18.277 19.000 0.123 0.000 0.805 405 A HN 0.577 nan 8.150 nan 0.000 0.449 406 H N -1.653 117.245 119.070 -0.288 0.000 2.421 406 H HA -0.043 4.517 4.556 0.006 0.000 0.298 406 H C 1.450 176.667 175.328 -0.185 0.000 1.087 406 H CA 1.955 57.694 56.048 -0.516 0.000 1.330 406 H CB -0.291 28.898 29.762 -0.956 0.000 1.388 406 H HN 0.618 nan 8.280 nan 0.000 0.526 407 F N -2.028 118.148 119.950 0.377 0.000 2.317 407 F HA -0.001 4.530 4.527 0.007 0.000 0.290 407 F C 2.206 178.136 175.800 0.216 0.000 1.075 407 F CA 0.302 58.545 58.000 0.405 0.000 1.380 407 F CB -0.796 38.322 39.000 0.196 0.000 1.093 407 F HN 0.034 nan 8.300 nan 0.000 0.524 408 Y N -0.223 120.149 120.300 0.121 0.000 2.165 408 Y HA -0.249 4.305 4.550 0.006 0.000 0.286 408 Y C 1.541 177.223 175.900 -0.364 0.000 1.155 408 Y CA 1.648 59.624 58.100 -0.207 0.000 1.164 408 Y CB -0.533 37.665 38.460 -0.437 0.000 0.978 408 Y HN -0.008 nan 8.280 nan 0.000 0.513 409 F N -0.658 119.363 119.950 0.118 0.000 2.693 409 F HA 0.203 4.734 4.527 0.007 0.000 0.303 409 F C 1.278 177.054 175.800 -0.039 0.000 1.097 409 F CA 0.138 58.123 58.000 -0.025 0.000 1.330 409 F CB -0.449 38.507 39.000 -0.074 0.000 1.067 409 F HN -0.184 nan 8.300 nan 0.000 0.565 410 S N 2.577 118.385 115.700 0.180 0.000 2.562 410 S HA 0.103 4.577 4.470 0.006 0.000 0.281 410 S C -1.060 173.569 174.600 0.048 0.000 1.333 410 S CA -1.119 57.174 58.200 0.155 0.000 1.052 410 S CB 0.841 64.216 63.200 0.292 0.000 0.884 410 S HN 0.013 nan 8.310 nan 0.000 0.506 411 P HA 0.034 nan 4.420 nan 0.000 0.240 411 P C -0.124 177.134 177.300 -0.070 0.000 1.190 411 P CA 0.174 63.252 63.100 -0.035 0.000 0.781 411 P CB 0.097 31.776 31.700 -0.035 0.000 0.931 412 R N 0.634 121.043 120.500 -0.151 0.000 2.640 412 R HA 0.147 4.491 4.340 0.006 0.000 0.270 412 R C 1.129 177.405 176.300 -0.040 0.000 1.024 412 R CA 1.239 57.209 56.100 -0.217 0.000 1.085 412 R CB -0.227 29.668 30.300 -0.675 0.000 0.963 412 R HN 0.162 nan 8.270 nan 0.000 0.426 413 T N -3.493 111.052 114.554 -0.015 0.000 3.253 413 T HA -0.018 4.335 4.350 0.006 0.000 0.299 413 T C 0.748 175.489 174.700 0.067 0.000 0.927 413 T CA -0.273 61.854 62.100 0.045 0.000 0.926 413 T CB 0.140 69.014 68.868 0.011 0.000 1.183 413 T HN 0.654 nan 8.240 nan 0.000 0.557 414 D N 2.339 122.774 120.400 0.058 0.000 2.269 414 D HA -0.047 4.597 4.640 0.006 0.000 0.208 414 D C 0.998 177.384 176.300 0.143 0.000 0.963 414 D CA 1.047 55.092 54.000 0.074 0.000 0.864 414 D CB -0.253 40.561 40.800 0.024 0.000 0.936 414 D HN 0.617 nan 8.370 nan 0.000 0.505 415 T N -4.219 110.485 114.554 0.250 0.000 2.916 415 T HA 0.431 4.785 4.350 0.006 0.000 0.292 415 T C -2.398 172.404 174.700 0.170 0.000 1.064 415 T CA -1.793 60.449 62.100 0.237 0.000 1.011 415 T CB 2.479 71.541 68.868 0.322 0.000 1.152 415 T HN -0.404 nan 8.240 nan 0.000 0.510 416 P HA -0.013 nan 4.420 nan 0.000 0.216 416 P C 1.181 178.334 177.300 -0.244 0.000 1.150 416 P CA 0.589 63.753 63.100 0.106 0.000 0.837 416 P CB -0.106 31.787 31.700 0.322 0.000 0.786 417 F N -0.937 118.633 119.950 -0.634 0.000 2.046 417 F HA -0.170 4.361 4.527 0.006 0.000 0.297 417 F C 1.840 177.220 175.800 -0.700 0.000 1.123 417 F CA 1.470 58.763 58.000 -1.179 0.000 1.199 417 F CB -1.159 37.313 39.000 -0.879 0.000 0.972 417 F HN -0.129 nan 8.300 nan 0.000 0.474 418 W N 0.840 121.958 121.300 -0.303 0.000 2.350 418 W HA -0.095 4.569 4.660 0.006 0.000 0.289 418 W C 2.617 178.966 176.519 -0.284 0.000 1.215 418 W CA 1.346 58.514 57.345 -0.296 0.000 1.236 418 W CB -0.414 29.028 29.460 -0.030 0.000 1.130 418 W HN -0.080 nan 8.180 nan 0.000 0.541 419 R N -0.200 120.274 120.500 -0.044 0.000 2.073 419 R HA -0.023 4.321 4.340 0.006 0.000 0.229 419 R C 2.383 178.606 176.300 -0.127 0.000 1.120 419 R CA 1.248 57.318 56.100 -0.051 0.000 0.967 419 R CB -0.886 29.414 30.300 0.001 0.000 0.862 419 R HN 0.146 nan 8.270 nan 0.000 0.436 420 A N 1.820 124.504 122.820 -0.226 0.000 1.902 420 A HA -0.185 4.139 4.320 0.006 0.000 0.217 420 A C 1.778 179.243 177.584 -0.199 0.000 1.181 420 A CA 1.370 53.308 52.037 -0.165 0.000 0.623 420 A CB -0.514 18.400 19.000 -0.144 0.000 0.818 420 A HN 0.266 nan 8.150 nan 0.000 0.443 421 N N 0.154 118.629 118.700 -0.374 0.000 2.137 421 N HA -0.162 4.582 4.740 0.006 0.000 0.190 421 N C 1.462 176.912 175.510 -0.101 0.000 1.017 421 N CA 1.568 54.461 53.050 -0.262 0.000 0.859 421 N CB -0.265 38.015 38.487 -0.345 0.000 1.002 421 N HN 0.600 nan 8.380 nan 0.000 0.428 422 K N 0.597 120.892 120.400 -0.175 0.000 2.365 422 K HA 0.001 4.325 4.320 0.006 0.000 0.199 422 K C 0.989 177.520 176.600 -0.114 0.000 1.045 422 K CA 0.549 56.663 56.287 -0.289 0.000 0.962 422 K CB 0.215 32.548 32.500 -0.278 0.000 0.759 422 K HN 0.078 nan 8.250 nan 0.000 0.469 423 E N 0.630 120.806 120.200 -0.041 0.000 2.489 423 E HA 0.091 4.445 4.350 0.006 0.000 0.193 423 E C 0.442 177.072 176.600 0.049 0.000 1.057 423 E CA 0.232 56.638 56.400 0.010 0.000 0.866 423 E CB 0.142 29.846 29.700 0.005 0.000 0.916 423 E HN 0.274 nan 8.360 nan 0.000 0.500 424 L N 1.485 122.758 121.223 0.082 0.000 2.439 424 L HA 0.324 4.668 4.340 0.006 0.000 0.259 424 L C 0.763 177.694 176.870 0.102 0.000 1.129 424 L CA -0.611 54.267 54.840 0.063 0.000 0.803 424 L CB 0.743 42.830 42.059 0.046 0.000 1.161 424 L HN -0.197 nan 8.230 nan 0.000 0.462 425 R N 1.840 122.346 120.500 0.010 0.000 2.540 425 R HA 0.588 4.932 4.340 0.006 0.000 0.287 425 R C -0.948 175.331 176.300 -0.034 0.000 0.980 425 R CA -0.896 55.195 56.100 -0.016 0.000 0.966 425 R CB 1.117 31.416 30.300 -0.000 0.000 1.106 425 R HN 0.442 nan 8.270 nan 0.000 0.480 426 L N 1.538 122.657 121.223 -0.174 0.000 2.418 426 L HA 0.349 4.693 4.340 0.006 0.000 0.265 426 L C 0.808 177.684 176.870 0.009 0.000 1.143 426 L CA -0.687 54.059 54.840 -0.156 0.000 0.809 426 L CB 0.989 42.847 42.059 -0.334 0.000 1.124 426 L HN 0.718 nan 8.230 nan 0.000 0.456 427 A N 1.060 123.866 122.820 -0.024 0.000 2.445 427 A HA 0.063 4.387 4.320 0.006 0.000 0.242 427 A C 0.750 178.323 177.584 -0.020 0.000 1.075 427 A CA -0.433 51.594 52.037 -0.016 0.000 0.777 427 A CB 0.153 19.052 19.000 -0.169 0.000 1.013 427 A HN 0.861 nan 8.150 nan 0.000 0.493 428 D N 2.281 122.683 120.400 0.005 0.000 2.149 428 D HA -0.170 4.474 4.640 0.006 0.000 0.194 428 D C 2.022 178.315 176.300 -0.011 0.000 1.001 428 D CA 2.193 56.193 54.000 0.000 0.000 0.849 428 D CB -0.515 40.291 40.800 0.010 0.000 0.939 428 D HN 0.721 nan 8.370 nan 0.000 0.449 429 G N 0.078 108.870 108.800 -0.013 0.000 2.432 429 G HA2 -0.256 3.708 3.960 0.006 0.000 0.219 429 G HA3 -0.256 3.708 3.960 0.006 0.000 0.219 429 G C 1.542 176.428 174.900 -0.024 0.000 1.135 429 G CA 0.901 45.993 45.100 -0.013 0.000 0.767 429 G HN 0.164 nan 8.290 nan 0.000 0.550 430 M N 0.055 119.635 119.600 -0.033 0.000 2.193 430 M HA 0.111 4.595 4.480 0.006 0.000 0.265 430 M C 2.402 178.677 176.300 -0.041 0.000 1.071 430 M CA 1.448 56.727 55.300 -0.035 0.000 1.140 430 M CB -0.354 32.218 32.600 -0.046 0.000 1.369 430 M HN 0.235 nan 8.290 nan 0.000 0.423 431 Q N 0.445 120.223 119.800 -0.037 0.000 2.170 431 Q HA -0.217 4.126 4.340 0.006 0.000 0.203 431 Q C 1.926 177.914 176.000 -0.018 0.000 0.976 431 Q CA 2.299 58.090 55.803 -0.019 0.000 0.858 431 Q CB -0.376 28.353 28.738 -0.015 0.000 0.907 431 Q HN 0.739 nan 8.270 nan 0.000 0.433 432 E N -0.362 119.821 120.200 -0.028 0.000 2.106 432 E HA -0.186 4.168 4.350 0.006 0.000 0.192 432 E C 1.616 178.182 176.600 -0.057 0.000 0.984 432 E CA 0.951 57.332 56.400 -0.031 0.000 0.806 432 E CB 0.044 29.730 29.700 -0.024 0.000 0.750 432 E HN 0.309 nan 8.360 nan 0.000 0.458 433 K N 0.273 120.618 120.400 -0.091 0.000 2.057 433 K HA -0.121 4.203 4.320 0.006 0.000 0.207 433 K C 2.133 178.635 176.600 -0.164 0.000 1.049 433 K CA 1.131 57.315 56.287 -0.173 0.000 0.931 433 K CB -0.031 32.297 32.500 -0.287 0.000 0.714 433 K HN 0.219 nan 8.250 nan 0.000 0.440 434 I N 1.987 122.484 120.570 -0.121 0.000 2.226 434 I HA -0.242 3.932 4.170 0.006 0.000 0.245 434 I C 1.669 177.767 176.117 -0.033 0.000 1.100 434 I CA 1.534 62.775 61.300 -0.099 0.000 1.374 434 I CB -1.058 36.938 38.000 -0.007 0.000 1.057 434 I HN 0.161 nan 8.210 nan 0.000 0.413 435 D N 0.630 121.016 120.400 -0.023 0.000 2.123 435 D HA -0.193 4.451 4.640 0.006 0.000 0.196 435 D C 2.374 178.653 176.300 -0.035 0.000 0.992 435 D CA 1.308 55.298 54.000 -0.018 0.000 0.833 435 D CB -0.180 40.613 40.800 -0.013 0.000 0.954 435 D HN 0.291 nan 8.370 nan 0.000 0.455 436 M N -0.734 118.841 119.600 -0.042 0.000 2.086 436 M HA -0.191 4.293 4.480 0.006 0.000 0.261 436 M C 2.212 178.477 176.300 -0.059 0.000 1.067 436 M CA 1.212 56.484 55.300 -0.046 0.000 1.116 436 M CB -0.431 32.141 32.600 -0.046 0.000 1.348 436 M HN 0.047 nan 8.290 nan 0.000 0.407 437 Y N 1.218 121.387 120.300 -0.218 0.000 2.114 437 Y HA -0.264 4.290 4.550 0.006 0.000 0.282 437 Y C 2.361 178.080 175.900 -0.302 0.000 1.165 437 Y CA 1.830 59.750 58.100 -0.300 0.000 1.148 437 Y CB -0.216 37.993 38.460 -0.419 0.000 0.972 437 Y HN 0.056 nan 8.280 nan 0.000 0.504 438 R N -0.230 120.168 120.500 -0.169 0.000 2.152 438 R HA -0.078 4.265 4.340 0.006 0.000 0.232 438 R C 2.108 178.272 176.300 -0.226 0.000 1.117 438 R CA 0.855 56.816 56.100 -0.233 0.000 0.981 438 R CB -0.436 29.809 30.300 -0.092 0.000 0.870 438 R HN 0.419 nan 8.270 nan 0.000 0.451 439 A N -0.050 122.669 122.820 -0.168 0.000 2.238 439 A HA 0.218 4.542 4.320 0.006 0.000 0.208 439 A C 1.387 178.881 177.584 -0.150 0.000 1.177 439 A CA 0.760 52.723 52.037 -0.124 0.000 0.804 439 A CB 0.003 18.960 19.000 -0.072 0.000 0.823 439 A HN 0.436 nan 8.150 nan 0.000 0.482 440 G N -1.664 106.982 108.800 -0.256 0.000 2.176 440 G HA2 -0.245 3.719 3.960 0.006 0.000 0.253 440 G HA3 -0.245 3.719 3.960 0.006 0.000 0.253 440 G C 0.213 175.019 174.900 -0.157 0.000 0.979 440 G CA 0.361 45.295 45.100 -0.276 0.000 0.641 440 G HN 0.394 nan 8.290 nan 0.000 0.530 441 M N 0.935 120.496 119.600 -0.065 0.000 2.255 441 M HA 0.580 5.064 4.480 0.006 0.000 0.336 441 M C 0.975 177.386 176.300 0.185 0.000 1.135 441 M CA 0.179 55.535 55.300 0.093 0.000 1.145 441 M CB 1.220 33.841 32.600 0.036 0.000 1.473 441 M HN 0.422 nan 8.290 nan 0.000 0.462 442 A N 2.908 125.910 122.820 0.304 0.000 2.351 442 A HA 0.608 4.932 4.320 0.006 0.000 0.257 442 A C -0.399 177.276 177.584 0.152 0.000 1.087 442 A CA -0.429 51.790 52.037 0.303 0.000 0.798 442 A CB 0.177 19.282 19.000 0.175 0.000 1.033 442 A HN 0.819 nan 8.150 nan 0.000 0.488 443 I N 1.964 122.617 120.570 0.139 0.000 2.355 443 I HA 0.186 4.360 4.170 0.006 0.000 0.288 443 I C -0.341 175.830 176.117 0.090 0.000 0.999 443 I CA -0.516 60.783 61.300 -0.002 0.000 1.163 443 I CB 0.979 38.793 38.000 -0.311 0.000 1.316 443 I HN 0.735 nan 8.210 nan 0.000 0.454 444 N N 4.122 122.865 118.700 0.071 0.000 2.705 444 N HA -0.189 4.554 4.740 0.006 0.000 0.255 444 N C 0.007 175.589 175.510 0.121 0.000 1.008 444 N CA 0.796 53.907 53.050 0.101 0.000 0.742 444 N CB -0.829 37.742 38.487 0.140 0.000 0.906 444 N HN 0.751 nan 8.380 nan 0.000 0.541 445 A N 0.690 123.582 122.820 0.120 0.000 2.498 445 A HA 0.325 4.649 4.320 0.006 0.000 0.239 445 A C -1.244 176.429 177.584 0.148 0.000 1.068 445 A CA -0.643 51.479 52.037 0.142 0.000 0.766 445 A CB 0.126 19.217 19.000 0.152 0.000 1.003 445 A HN 0.210 nan 8.150 nan 0.000 0.497 446 P HA 0.165 nan 4.420 nan 0.000 0.271 446 P C 0.616 177.990 177.300 0.123 0.000 1.218 446 P CA 0.457 63.629 63.100 0.120 0.000 0.780 446 P CB 1.118 32.884 31.700 0.111 0.000 0.901 447 A N 2.433 125.276 122.820 0.038 0.000 2.019 447 A HA -0.015 4.309 4.320 0.006 0.000 0.219 447 A C 1.262 178.790 177.584 -0.094 0.000 1.164 447 A CA 1.558 53.584 52.037 -0.018 0.000 0.644 447 A CB -0.508 18.482 19.000 -0.017 0.000 0.805 447 A HN 0.687 nan 8.150 nan 0.000 0.449 448 S N -1.249 114.420 115.700 -0.051 0.000 2.595 448 S HA 0.443 4.917 4.470 0.006 0.000 0.281 448 S C -0.444 174.174 174.600 0.029 0.000 1.117 448 S CA 0.054 58.204 58.200 -0.084 0.000 0.873 448 S CB 1.613 64.780 63.200 -0.055 0.000 1.108 448 S HN 0.297 nan 8.310 nan 0.000 0.477 449 D N 0.933 121.360 120.400 0.046 0.000 2.363 449 D HA 0.164 4.808 4.640 0.006 0.000 0.214 449 D C 0.323 176.666 176.300 0.072 0.000 1.093 449 D CA -0.145 53.946 54.000 0.152 0.000 0.837 449 D CB -0.098 40.864 40.800 0.270 0.000 0.948 449 D HN 0.481 nan 8.370 nan 0.000 0.507 456 G N 0.024 108.937 108.800 0.188 0.000 2.545 456 G HA2 -0.016 3.948 3.960 0.006 0.000 0.212 456 G HA3 -0.016 3.948 3.960 0.006 0.000 0.212 456 G C 0.286 175.283 174.900 0.161 0.000 1.144 456 G CA 0.477 45.675 45.100 0.163 0.000 0.813 456 G HN 0.120 nan 8.290 nan 0.000 0.531 457 N N -0.573 118.210 118.700 0.138 0.000 2.479 457 N HA 0.251 4.994 4.740 0.006 0.000 0.261 457 N C 0.198 175.794 175.510 0.145 0.000 0.979 457 N CA -1.095 52.042 53.050 0.145 0.000 0.930 457 N CB 1.279 39.828 38.487 0.103 0.000 1.172 457 N HN -0.063 nan 8.380 nan 0.000 0.499 458 F N 3.292 123.255 119.950 0.023 0.000 2.069 458 F HA -0.114 4.416 4.527 0.005 0.000 0.298 458 F C 2.041 177.799 175.800 -0.071 0.000 1.113 458 F CA 1.744 59.704 58.000 -0.067 0.000 1.214 458 F CB 0.050 38.851 39.000 -0.332 0.000 0.978 458 F HN 0.654 nan 8.300 nan 0.000 0.474 459 E N 0.481 120.673 120.200 -0.013 0.000 2.114 459 E HA -0.303 4.051 4.350 0.006 0.000 0.199 459 E C 2.072 178.671 176.600 -0.002 0.000 1.008 459 E CA 1.879 58.291 56.400 0.021 0.000 0.810 459 E CB -0.335 29.470 29.700 0.173 0.000 0.739 459 E HN 0.566 nan 8.360 nan 0.000 0.456 460 E N 0.156 120.356 120.200 0.001 0.000 2.047 460 E HA -0.173 4.181 4.350 0.006 0.000 0.191 460 E C 1.863 178.432 176.600 -0.052 0.000 0.987 460 E CA 1.604 58.002 56.400 -0.004 0.000 0.799 460 E CB -0.064 29.639 29.700 0.004 0.000 0.752 460 E HN 0.390 nan 8.360 nan 0.000 0.449 461 E N -0.380 119.756 120.200 -0.108 0.000 2.031 461 E HA -0.195 4.159 4.350 0.006 0.000 0.193 461 E C 1.951 178.475 176.600 -0.127 0.000 0.994 461 E CA 1.170 57.494 56.400 -0.126 0.000 0.800 461 E CB -0.353 29.288 29.700 -0.099 0.000 0.752 461 E HN 0.295 nan 8.360 nan 0.000 0.447 462 F N 1.900 121.550 119.950 -0.500 0.000 2.126 462 F HA -0.177 4.354 4.527 0.006 0.000 0.299 462 F C 2.217 177.909 175.800 -0.180 0.000 1.096 462 F CA 1.577 59.301 58.000 -0.459 0.000 1.255 462 F CB 0.056 38.620 39.000 -0.727 0.000 0.997 462 F HN -0.210 nan 8.300 nan 0.000 0.479 463 R N -0.545 120.020 120.500 0.109 0.000 2.189 463 R HA -0.111 4.233 4.340 0.006 0.000 0.223 463 R C 0.434 176.735 176.300 0.001 0.000 1.092 463 R CA 1.287 57.445 56.100 0.097 0.000 0.989 463 R CB -0.376 29.994 30.300 0.118 0.000 0.876 463 R HN 0.198 nan 8.270 nan 0.000 0.457 464 N N -0.297 118.382 118.700 -0.035 0.000 2.610 464 N HA 0.067 4.811 4.740 0.006 0.000 0.307 464 N C -0.204 175.248 175.510 -0.097 0.000 1.813 464 N CA -0.183 52.846 53.050 -0.036 0.000 0.901 464 N CB 0.111 38.586 38.487 -0.021 0.000 1.354 464 N HN -0.085 nan 8.380 nan 0.000 0.491 465 F N 0.261 119.982 119.950 -0.382 0.000 2.026 465 F HA 0.084 4.614 4.527 0.006 0.000 0.296 465 F C 0.045 175.453 175.800 -0.653 0.000 1.133 465 F CA 1.495 59.112 58.000 -0.638 0.000 1.188 465 F CB -0.010 38.437 39.000 -0.921 0.000 0.968 465 F HN 0.182 nan 8.300 nan 0.000 0.476 466 W N 2.137 123.239 121.300 -0.331 0.000 2.311 466 W HA 0.246 4.910 4.660 0.007 0.000 0.317 466 W C -0.031 176.329 176.519 -0.265 0.000 1.065 466 W CA -1.056 55.920 57.345 -0.615 0.000 1.364 466 W CB 0.086 29.018 29.460 -0.880 0.000 1.233 466 W HN 0.068 nan 8.180 nan 0.000 0.409 467 N N 0.444 119.134 118.700 -0.017 0.000 2.671 467 N HA 0.233 4.977 4.740 0.006 0.000 0.303 467 N C 0.752 176.429 175.510 0.278 0.000 1.277 467 N CA -0.670 52.464 53.050 0.140 0.000 0.933 467 N CB 0.268 38.790 38.487 0.058 0.000 1.190 467 N HN 0.288 nan 8.380 nan 0.000 0.600 468 N N -0.624 118.245 118.700 0.281 0.000 2.094 468 N HA -0.200 4.544 4.740 0.006 0.000 0.191 468 N C 0.916 176.636 175.510 0.351 0.000 1.023 468 N CA 1.933 55.189 53.050 0.343 0.000 0.857 468 N CB -0.205 38.425 38.487 0.239 0.000 1.013 468 N HN 0.523 nan 8.380 nan 0.000 0.426 469 S N 0.065 115.921 115.700 0.260 0.000 2.353 469 S HA -0.132 4.342 4.470 0.006 0.000 0.222 469 S C 1.604 176.369 174.600 0.275 0.000 1.035 469 S CA 1.568 59.972 58.200 0.339 0.000 1.025 469 S CB -0.763 62.640 63.200 0.338 0.000 0.902 469 S HN 0.537 nan 8.310 nan 0.000 0.440 470 N N 0.364 119.136 118.700 0.121 0.000 2.061 470 N HA -0.152 4.591 4.740 0.006 0.000 0.193 470 N C 1.568 176.933 175.510 -0.242 0.000 1.030 470 N CA 1.725 54.699 53.050 -0.127 0.000 0.856 470 N CB -0.369 37.975 38.487 -0.239 0.000 1.023 470 N HN 0.380 nan 8.380 nan 0.000 0.424 471 Y N -0.529 119.737 120.300 -0.056 0.000 2.242 471 Y HA -0.143 4.410 4.550 0.006 0.000 0.291 471 Y C 1.898 177.589 175.900 -0.349 0.000 1.137 471 Y CA 1.003 59.014 58.100 -0.148 0.000 1.181 471 Y CB -0.542 37.812 38.460 -0.177 0.000 0.989 471 Y HN 0.135 nan 8.280 nan 0.000 0.527 472 Y N -1.536 118.689 120.300 -0.124 0.000 2.200 472 Y HA -0.259 4.295 4.550 0.007 0.000 0.290 472 Y C 2.669 178.273 175.900 -0.494 0.000 1.137 472 Y CA 1.246 59.092 58.100 -0.423 0.000 1.163 472 Y CB -0.781 37.254 38.460 -0.708 0.000 0.988 472 Y HN 0.118 nan 8.280 nan 0.000 0.518 473 C N -1.137 118.170 119.300 0.013 0.000 2.393 473 C HA -0.196 4.268 4.460 0.006 0.000 0.276 473 C C 2.767 177.597 174.990 -0.266 0.000 1.215 473 C CA 1.304 60.365 59.018 0.072 0.000 1.743 473 C CB -1.189 26.540 27.740 -0.019 0.000 2.044 473 C HN 0.355 nan 8.230 nan 0.000 0.464 474 V N -0.045 119.567 119.914 -0.504 0.000 2.323 474 V HA -0.130 3.994 4.120 0.006 0.000 0.244 474 V C 2.313 177.924 176.094 -0.805 0.000 1.041 474 V CA 1.517 63.350 62.300 -0.780 0.000 1.025 474 V CB -0.645 30.478 31.823 -1.167 0.000 0.656 474 V HN 0.358 nan 8.190 nan 0.000 0.451 475 L N 0.521 121.305 121.223 -0.731 0.000 1.988 475 L HA -0.056 4.288 4.340 0.006 0.000 0.207 475 L C 2.640 179.126 176.870 -0.640 0.000 1.071 475 L CA 2.429 56.793 54.840 -0.793 0.000 0.744 475 L CB -1.496 39.856 42.059 -1.179 0.000 0.893 475 L HN 0.282 nan 8.230 nan 0.000 0.433 476 A N -0.634 121.852 122.820 -0.556 0.000 1.908 476 A HA -0.125 4.199 4.320 0.006 0.000 0.218 476 A C 2.399 179.743 177.584 -0.401 0.000 1.181 476 A CA 1.724 53.558 52.037 -0.339 0.000 0.627 476 A CB -1.424 17.357 19.000 -0.365 0.000 0.818 476 A HN 0.470 nan 8.150 nan 0.000 0.445 477 G N -0.112 108.304 108.800 -0.640 0.000 2.476 477 G HA2 -0.217 3.747 3.960 0.006 0.000 0.218 477 G HA3 -0.217 3.747 3.960 0.006 0.000 0.218 477 G C 1.486 175.560 174.900 -1.377 0.000 1.164 477 G CA 1.140 45.520 45.100 -1.201 0.000 0.768 477 G HN 0.459 nan 8.290 nan 0.000 0.560 478 L N -0.047 120.536 121.223 -1.066 0.000 2.376 478 L HA 0.212 4.556 4.340 0.006 0.000 0.219 478 L C 2.256 178.944 176.870 -0.303 0.000 1.133 478 L CA 0.764 55.257 54.840 -0.579 0.000 0.816 478 L CB 0.058 41.887 42.059 -0.384 0.000 0.933 478 L HN 0.484 nan 8.230 nan 0.000 0.449 479 G N -0.225 108.401 108.800 -0.289 0.000 2.229 479 G HA2 -0.219 3.745 3.960 0.006 0.000 0.189 479 G HA3 -0.219 3.745 3.960 0.006 0.000 0.189 479 G C -0.133 174.705 174.900 -0.104 0.000 1.000 479 G CA -0.289 44.734 45.100 -0.128 0.000 0.663 479 G HN 0.086 nan 8.290 nan 0.000 0.493 480 L N 2.593 123.693 121.223 -0.205 0.000 2.361 480 L HA 0.681 5.025 4.340 0.006 0.000 0.278 480 L C 0.560 177.357 176.870 -0.122 0.000 1.113 480 L CA -0.407 54.301 54.840 -0.221 0.000 0.849 480 L CB 1.254 42.991 42.059 -0.537 0.000 1.155 480 L HN 0.759 nan 8.230 nan 0.000 0.452 481 V N 3.060 122.915 119.914 -0.098 0.000 3.102 481 V HA 0.773 4.897 4.120 0.006 0.000 0.312 481 V C -2.577 173.168 176.094 -0.582 0.000 1.135 481 V CA -2.396 59.701 62.300 -0.339 0.000 1.022 481 V CB 1.337 33.020 31.823 -0.233 0.000 1.056 481 V HN 0.640 nan 8.190 nan 0.000 0.436 482 P HA 0.183 nan 4.420 nan 0.000 0.269 482 P C -0.042 177.070 177.300 -0.312 0.000 1.217 482 P CA 0.104 62.693 63.100 -0.852 0.000 0.783 482 P CB 0.402 31.493 31.700 -1.016 0.000 0.898 483 D N -0.111 120.196 120.400 -0.156 0.000 2.219 483 D HA 0.051 4.695 4.640 0.006 0.000 0.205 483 D C 0.677 177.003 176.300 0.043 0.000 0.970 483 D CA 1.343 55.342 54.000 -0.002 0.000 0.851 483 D CB 0.142 40.927 40.800 -0.024 0.000 0.943 483 D HN 0.421 nan 8.370 nan 0.000 0.488 484 A N -0.360 122.421 122.820 -0.065 0.000 2.601 484 A HA 0.528 4.852 4.320 0.006 0.000 0.291 484 A C -2.807 174.661 177.584 -0.195 0.000 1.075 484 A CA -1.146 50.671 52.037 -0.366 0.000 0.671 484 A CB 0.790 19.588 19.000 -0.337 0.000 1.277 484 A HN -0.234 nan 8.150 nan 0.000 0.417 485 P HA 0.197 nan 4.420 nan 0.000 0.270 485 P C 0.094 177.322 177.300 -0.120 0.000 1.223 485 P CA 0.077 63.062 63.100 -0.192 0.000 0.785 485 P CB 0.581 32.091 31.700 -0.317 0.000 0.923 486 S N 2.753 118.419 115.700 -0.057 0.000 2.546 486 S HA 0.045 4.519 4.470 0.006 0.000 0.290 486 S C -1.371 173.210 174.600 -0.032 0.000 1.262 486 S CA -0.775 57.412 58.200 -0.022 0.000 1.083 486 S CB -0.537 62.712 63.200 0.080 0.000 0.859 486 S HN 0.243 nan 8.310 nan 0.000 0.495 487 P HA -0.106 nan 4.420 nan 0.000 0.219 487 P C 1.332 178.665 177.300 0.054 0.000 1.146 487 P CA 0.804 63.901 63.100 -0.004 0.000 0.808 487 P CB 0.068 31.780 31.700 0.019 0.000 0.779 488 R N 0.092 120.635 120.500 0.072 0.000 2.193 488 R HA -0.059 4.285 4.340 0.006 0.000 0.229 488 R C 1.879 178.232 176.300 0.089 0.000 1.110 488 R CA 0.934 57.106 56.100 0.120 0.000 0.988 488 R CB -0.792 29.545 30.300 0.061 0.000 0.871 488 R HN 0.183 nan 8.270 nan 0.000 0.458 489 L N -0.034 121.196 121.223 0.013 0.000 2.217 489 L HA 0.010 4.354 4.340 0.006 0.000 0.211 489 L C 2.464 179.324 176.870 -0.017 0.000 1.107 489 L CA 0.851 55.692 54.840 0.003 0.000 0.783 489 L CB -0.436 41.602 42.059 -0.034 0.000 0.919 489 L HN 0.293 nan 8.230 nan 0.000 0.442 490 A N -1.118 121.633 122.820 -0.116 0.000 2.121 490 A HA -0.153 4.171 4.320 0.006 0.000 0.218 490 A C 1.662 179.068 177.584 -0.297 0.000 1.154 490 A CA 0.989 52.889 52.037 -0.228 0.000 0.679 490 A CB -0.534 18.263 19.000 -0.339 0.000 0.795 490 A HN 0.447 nan 8.150 nan 0.000 0.458 491 H N -1.688 117.390 119.070 0.013 0.000 2.520 491 H HA 0.341 4.900 4.556 0.006 0.000 0.284 491 H C -0.118 175.225 175.328 0.026 0.000 1.037 491 H CA 0.192 56.249 56.048 0.015 0.000 1.168 491 H CB 0.112 29.878 29.762 0.007 0.000 1.497 491 H HN 0.471 nan 8.280 nan 0.000 0.547 492 M N 1.577 121.241 119.600 0.108 0.000 3.200 492 M HA 0.170 4.654 4.480 0.006 0.000 0.335 492 M C -1.838 174.526 176.300 0.107 0.000 1.446 492 M CA -1.356 54.010 55.300 0.111 0.000 0.691 492 M CB 1.741 34.421 32.600 0.133 0.000 1.409 492 M HN -0.122 nan 8.290 nan 0.000 0.488 493 P HA -0.228 nan 4.420 nan 0.000 0.216 493 P C 0.779 178.125 177.300 0.076 0.000 1.150 493 P CA 1.620 64.759 63.100 0.065 0.000 0.843 493 P CB 0.062 31.787 31.700 0.040 0.000 0.787 494 Q N 0.053 119.895 119.800 0.071 0.000 2.079 494 Q HA -0.063 4.281 4.340 0.006 0.000 0.200 494 Q C 2.396 178.456 176.000 0.099 0.000 0.974 494 Q CA 1.651 57.494 55.803 0.067 0.000 0.840 494 Q CB -1.026 27.740 28.738 0.046 0.000 0.898 494 Q HN 0.199 nan 8.270 nan 0.000 0.430 495 A N 2.183 125.079 122.820 0.127 0.000 1.898 495 A HA -0.154 4.170 4.320 0.006 0.000 0.216 495 A C 2.425 180.166 177.584 0.261 0.000 1.181 495 A CA 2.016 54.174 52.037 0.202 0.000 0.620 495 A CB -1.044 18.081 19.000 0.209 0.000 0.819 495 A HN 0.563 nan 8.150 nan 0.000 0.442 496 T N -2.702 112.008 114.554 0.259 0.000 3.035 496 T HA -0.034 4.320 4.350 0.006 0.000 0.268 496 T C 1.562 176.332 174.700 0.118 0.000 1.109 496 T CA 1.320 63.565 62.100 0.242 0.000 1.119 496 T CB -0.054 68.954 68.868 0.234 0.000 0.900 496 T HN 0.563 nan 8.240 nan 0.000 0.503 497 E N 1.425 121.681 120.200 0.094 0.000 2.140 497 E HA -0.054 4.300 4.350 0.006 0.000 0.191 497 E C 2.185 178.805 176.600 0.033 0.000 0.973 497 E CA 1.004 57.438 56.400 0.056 0.000 0.829 497 E CB 0.072 29.802 29.700 0.050 0.000 0.781 497 E HN 0.720 nan 8.360 nan 0.000 0.466 498 S N 0.095 115.828 115.700 0.055 0.000 2.607 498 S HA -0.047 4.427 4.470 0.006 0.000 0.224 498 S C 1.950 176.433 174.600 -0.195 0.000 0.969 498 S CA 0.673 58.887 58.200 0.024 0.000 0.927 498 S CB -0.134 63.154 63.200 0.146 0.000 0.772 498 S HN 0.160 nan 8.310 nan 0.000 0.533 499 V N -0.421 119.296 119.914 -0.328 0.000 2.719 499 V HA -0.045 4.079 4.120 0.006 0.000 0.252 499 V C 2.200 178.186 176.094 -0.179 0.000 1.065 499 V CA 1.486 63.418 62.300 -0.613 0.000 1.086 499 V CB -1.104 30.366 31.823 -0.588 0.000 0.700 499 V HN 0.272 nan 8.190 nan 0.000 0.467 500 D N 1.689 122.088 120.400 -0.002 0.000 2.203 500 D HA -0.253 4.390 4.640 0.006 0.000 0.199 500 D C 2.206 178.535 176.300 0.049 0.000 0.997 500 D CA 1.948 56.001 54.000 0.088 0.000 0.863 500 D CB -0.061 40.764 40.800 0.040 0.000 0.928 500 D HN 0.883 nan 8.370 nan 0.000 0.458 501 E N -0.466 119.710 120.200 -0.041 0.000 2.442 501 E HA -0.049 4.305 4.350 0.006 0.000 0.195 501 E C 1.947 178.494 176.600 -0.088 0.000 1.030 501 E CA 0.343 56.717 56.400 -0.043 0.000 0.869 501 E CB 0.111 29.787 29.700 -0.040 0.000 0.857 501 E HN 0.211 nan 8.360 nan 0.000 0.505 502 V N -0.596 119.194 119.914 -0.205 0.000 2.878 502 V HA 0.016 4.140 4.120 0.006 0.000 0.250 502 V C 1.371 177.324 176.094 -0.235 0.000 1.075 502 V CA 0.610 62.743 62.300 -0.278 0.000 1.096 502 V CB -0.532 31.000 31.823 -0.486 0.000 0.724 502 V HN 0.175 nan 8.190 nan 0.000 0.467 503 F N 2.067 121.949 119.950 -0.113 0.000 2.456 503 F HA 0.287 4.818 4.527 0.008 0.000 0.298 503 F C 2.415 178.194 175.800 -0.034 0.000 1.104 503 F CA 1.207 59.174 58.000 -0.055 0.000 1.435 503 F CB -0.864 38.122 39.000 -0.023 0.000 1.078 503 F HN 0.303 nan 8.300 nan 0.000 0.546 504 G N -0.598 108.278 108.800 0.128 0.000 2.403 504 G HA2 -0.096 3.868 3.960 0.006 0.000 0.216 504 G HA3 -0.096 3.868 3.960 0.006 0.000 0.216 504 G C 1.914 176.838 174.900 0.039 0.000 1.154 504 G CA 0.677 45.820 45.100 0.073 0.000 0.784 504 G HN 0.385 nan 8.290 nan 0.000 0.538 505 A N 0.293 123.117 122.820 0.006 0.000 1.933 505 A HA 0.066 4.390 4.320 0.006 0.000 0.218 505 A C 2.588 180.172 177.584 0.000 0.000 1.175 505 A CA 1.826 53.858 52.037 -0.009 0.000 0.628 505 A CB -0.745 18.233 19.000 -0.037 0.000 0.814 505 A HN 0.629 nan 8.150 nan 0.000 0.444 506 V N -0.150 119.768 119.914 0.007 0.000 2.358 506 V HA -0.192 3.932 4.120 0.006 0.000 0.246 506 V C 2.222 178.342 176.094 0.042 0.000 1.047 506 V CA 2.477 64.787 62.300 0.016 0.000 1.035 506 V CB -0.554 31.284 31.823 0.025 0.000 0.658 506 V HN 0.445 nan 8.190 nan 0.000 0.452 507 K N 0.087 120.526 120.400 0.066 0.000 2.097 507 K HA -0.155 4.168 4.320 0.006 0.000 0.206 507 K C 1.914 178.541 176.600 0.044 0.000 1.049 507 K CA 1.866 58.192 56.287 0.066 0.000 0.933 507 K CB -0.655 31.888 32.500 0.071 0.000 0.717 507 K HN 0.590 nan 8.250 nan 0.000 0.442 508 D N 0.169 120.588 120.400 0.032 0.000 2.117 508 D HA -0.129 4.515 4.640 0.006 0.000 0.198 508 D C 2.062 178.372 176.300 0.018 0.000 0.982 508 D CA 0.844 54.857 54.000 0.022 0.000 0.828 508 D CB -0.053 40.756 40.800 0.016 0.000 0.967 508 D HN 0.032 nan 8.370 nan 0.000 0.464 509 R N 1.042 121.550 120.500 0.014 0.000 2.092 509 R HA -0.072 4.272 4.340 0.006 0.000 0.231 509 R C 2.193 178.499 176.300 0.010 0.000 1.119 509 R CA 1.265 57.369 56.100 0.007 0.000 0.970 509 R CB -0.232 30.069 30.300 0.000 0.000 0.864 509 R HN 0.196 nan 8.270 nan 0.000 0.440 510 Q N -0.505 119.307 119.800 0.020 0.000 2.020 510 Q HA -0.198 4.145 4.340 0.006 0.000 0.202 510 Q C 2.221 178.238 176.000 0.028 0.000 0.982 510 Q CA 1.947 57.766 55.803 0.026 0.000 0.838 510 Q CB -0.242 28.527 28.738 0.052 0.000 0.899 510 Q HN 0.279 nan 8.270 nan 0.000 0.423 511 R N 0.477 120.996 120.500 0.032 0.000 2.073 511 R HA -0.142 4.202 4.340 0.006 0.000 0.234 511 R C 1.733 178.045 176.300 0.021 0.000 1.134 511 R CA 1.596 57.714 56.100 0.030 0.000 0.952 511 R CB -0.021 30.296 30.300 0.029 0.000 0.850 511 R HN 0.275 nan 8.270 nan 0.000 0.433 512 N N 0.681 119.390 118.700 0.015 0.000 2.188 512 N HA -0.134 4.610 4.740 0.006 0.000 0.184 512 N C 1.881 177.394 175.510 0.005 0.000 1.018 512 N CA 1.065 54.121 53.050 0.010 0.000 0.858 512 N CB -0.171 38.320 38.487 0.007 0.000 0.989 512 N HN 0.280 nan 8.380 nan 0.000 0.426 513 L N 0.286 121.509 121.223 0.001 0.000 2.109 513 L HA -0.069 4.274 4.340 0.006 0.000 0.207 513 L C 2.214 179.081 176.870 -0.005 0.000 1.086 513 L CA 0.403 55.237 54.840 -0.009 0.000 0.760 513 L CB -0.326 41.722 42.059 -0.019 0.000 0.910 513 L HN 0.112 nan 8.230 nan 0.000 0.437 514 L N 0.720 121.947 121.223 0.006 0.000 2.083 514 L HA -0.215 4.129 4.340 0.006 0.000 0.209 514 L C 2.372 179.252 176.870 0.017 0.000 1.083 514 L CA 1.888 56.738 54.840 0.016 0.000 0.752 514 L CB -0.457 41.619 42.059 0.030 0.000 0.899 514 L HN 0.419 nan 8.230 nan 0.000 0.433 515 E N -2.327 117.882 120.200 0.016 0.000 2.474 515 E HA -0.032 4.322 4.350 0.006 0.000 0.194 515 E C 1.281 177.888 176.600 0.012 0.000 1.041 515 E CA 0.878 57.288 56.400 0.016 0.000 0.874 515 E CB -0.250 29.460 29.700 0.017 0.000 0.914 515 E HN 0.603 nan 8.360 nan 0.000 0.498 516 T N -1.640 112.918 114.554 0.006 0.000 2.955 516 T HA 0.256 4.610 4.350 0.006 0.000 0.251 516 T C 0.742 175.441 174.700 -0.002 0.000 1.002 516 T CA -0.452 61.650 62.100 0.003 0.000 0.970 516 T CB -0.141 68.727 68.868 0.000 0.000 1.091 516 T HN -0.029 nan 8.240 nan 0.000 0.495 517 L N 3.596 124.813 121.223 -0.010 0.000 2.417 517 L HA 0.428 4.772 4.340 0.006 0.000 0.268 517 L C -1.914 174.952 176.870 -0.007 0.000 1.158 517 L CA -2.185 52.641 54.840 -0.023 0.000 0.819 517 L CB 0.553 42.585 42.059 -0.046 0.000 1.112 517 L HN 0.135 nan 8.230 nan 0.000 0.458 518 P HA 0.153 nan 4.420 nan 0.000 0.278 518 P C -0.883 176.430 177.300 0.021 0.000 1.266 518 P CA -0.591 62.522 63.100 0.023 0.000 0.807 518 P CB 1.219 32.950 31.700 0.052 0.000 1.094 519 S N 0.156 115.885 115.700 0.048 0.000 2.603 519 S HA 0.067 4.541 4.470 0.006 0.000 0.268 519 S C 1.290 175.937 174.600 0.079 0.000 1.317 519 S CA -0.592 57.646 58.200 0.064 0.000 1.012 519 S CB 0.116 63.376 63.200 0.100 0.000 0.926 519 S HN 0.381 nan 8.310 nan 0.000 0.539 520 L N 1.128 122.396 121.223 0.074 0.000 2.042 520 L HA -0.080 4.263 4.340 0.006 0.000 0.210 520 L C 2.379 179.367 176.870 0.195 0.000 1.076 520 L CA 2.484 57.381 54.840 0.095 0.000 0.749 520 L CB -1.493 40.609 42.059 0.073 0.000 0.893 520 L HN 1.052 nan 8.230 nan 0.000 0.432 521 H N -0.245 118.882 119.070 0.094 0.000 2.353 521 H HA -0.142 4.418 4.556 0.007 0.000 0.300 521 H C 2.096 177.477 175.328 0.090 0.000 1.090 521 H CA 2.229 58.334 56.048 0.095 0.000 1.327 521 H CB -0.041 29.768 29.762 0.078 0.000 1.383 521 H HN 0.530 nan 8.280 nan 0.000 0.508 522 E N -0.883 119.284 120.200 -0.055 0.000 2.085 522 E HA -0.193 4.161 4.350 0.006 0.000 0.194 522 E C 1.913 178.478 176.600 -0.059 0.000 0.994 522 E CA 1.276 57.610 56.400 -0.111 0.000 0.801 522 E CB -0.297 29.403 29.700 0.001 0.000 0.743 522 E HN 0.466 nan 8.360 nan 0.000 0.453 523 F N 1.088 120.984 119.950 -0.090 0.000 2.146 523 F HA -0.135 4.396 4.527 0.006 0.000 0.298 523 F C 1.848 177.630 175.800 -0.030 0.000 1.096 523 F CA 1.184 59.141 58.000 -0.073 0.000 1.275 523 F CB -0.056 38.876 39.000 -0.114 0.000 1.008 523 F HN -0.083 nan 8.300 nan 0.000 0.480 524 L N -0.128 121.138 121.223 0.072 0.000 2.046 524 L HA -0.207 4.137 4.340 0.006 0.000 0.208 524 L C 2.742 179.563 176.870 -0.081 0.000 1.077 524 L CA 1.385 56.249 54.840 0.040 0.000 0.747 524 L CB -0.808 41.357 42.059 0.177 0.000 0.896 524 L HN 0.049 nan 8.230 nan 0.000 0.432 525 R N 0.524 120.914 120.500 -0.183 0.000 2.103 525 R HA -0.257 4.087 4.340 0.006 0.000 0.242 525 R C 2.366 178.558 176.300 -0.181 0.000 1.142 525 R CA 2.344 58.303 56.100 -0.235 0.000 0.960 525 R CB -0.174 29.868 30.300 -0.431 0.000 0.858 525 R HN 0.618 nan 8.270 nan 0.000 0.439 526 Q N -0.588 119.104 119.800 -0.181 0.000 2.096 526 Q HA -0.162 4.181 4.340 0.006 0.000 0.197 526 Q C 2.048 178.066 176.000 0.030 0.000 0.964 526 Q CA 1.186 56.919 55.803 -0.116 0.000 0.838 526 Q CB -0.312 28.322 28.738 -0.173 0.000 0.906 526 Q HN 0.318 nan 8.270 nan 0.000 0.444 527 Q N 1.006 120.681 119.800 -0.208 0.000 1.993 527 Q HA -0.199 4.145 4.340 0.006 0.000 0.202 527 Q C 0.046 175.971 176.000 -0.125 0.000 0.984 527 Q CA 1.312 56.972 55.803 -0.237 0.000 0.837 527 Q CB -0.354 28.136 28.738 -0.413 0.000 0.902 527 Q HN 0.711 nan 8.270 nan 0.000 0.423 528 H N 0.000 118.979 119.070 -0.152 0.000 2.539 528 H HA 0.000 4.560 4.556 0.006 0.000 0.296 528 H CA 0.000 55.994 56.048 -0.090 0.000 1.023 528 H CB 0.000 29.718 29.762 -0.073 0.000 1.292 528 H HN 0.000 nan 8.280 nan 0.000 0.496