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 2hpo_1_A DATA FIRST_RESID 5 DATA SEQUENCE PQAKYRHDYR APDYQITDID LTFDLDAQKT VVTAVSQAVR HGASDAPLRL DATA SEQUENCE NGEDLKLVSV HINDEPWTAW KEEEGALVIS NLPERFTLKI INEISPAANT DATA SEQUENCE ALEGLYQSGD ALCTQCEAEG FRHITYYLDR PDVLARFTTK IIADKIKYPF DATA SEQUENCE LLSNGNRVAQ GELENGRHWV QWQDPFPKPC YLFALVAGDF DVLRDTFTTR DATA SEQUENCE SGREVALELY VDRGNLDRAP WAMTSLKNSM KWDEERFGLE YDLDIYMIVA DATA SEQUENCE VDFFNMGAME NKGLNIFNSK YVLARTDTAT DKDYLDIERV IGHEYFHNWT DATA SEQUENCE GNRVTCRDWF QLSLKEGLTV FRDQEFSSDL GSRAVNRINN VRTMRGLQFA DATA SEQUENCE EDASPMAHPI RPDMVIEMNN FYTLTVYEKG AEVIRMIHTL LGEENFQKGM DATA SEQUENCE QLYFERHDGS AATCDDFVQA MEDASNVDLS HFRRWYSQSG TPIVTVKDDY DATA SEQUENCE NPETEQYTLT ISQRTPATPD QAEKQPLHIP FAIELYDNEG KVIPLQKGGH DATA SEQUENCE PVNSVLNVTQ AEQTFVFDNV YFQPVPALLC EFSAPVKLEY KWSDQQLTFL DATA SEQUENCE MRHARNDFSR WDAAQSLLAT YIKLNVARHQ QGQPLSLPVH VADAFRAVLL DATA SEQUENCE DEKIDPALAA EILTLPSVNE MAELFDIIDP IAIAEVREAL TRTLATELAD DATA SEQUENCE ELLAIYNANY QSEYRVEHED IAKRTLRNAC LRFLAFGETH LADVLVSKQF DATA SEQUENCE HEANNMTDAL AALSAAVAAQ LPCRDALMQE YDDKWHQNGL VMDKWFILQA DATA SEQUENCE TSPAANVLET VRGLLQHRSF TMSNPNRIRS LIGAFAGSNP AAFHAEDGSG DATA SEQUENCE YLFLVEMLTD LNSRNPQVAS RLIEPLIRLK RYDAKRQEKM RAALEQLKGL DATA SEQUENCE ENLSGDLYEK ITKALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.288 177.300 -0.021 0.000 1.155 5 P CA 0.000 63.017 63.100 -0.138 0.000 0.800 5 P CB 0.000 31.607 31.700 -0.155 0.000 0.726 6 Q N 1.236 121.054 119.800 0.030 0.000 2.243 6 Q HA 0.765 5.106 4.340 0.001 0.000 0.252 6 Q C -0.140 175.907 176.000 0.077 0.000 0.909 6 Q CA -0.083 55.765 55.803 0.076 0.000 0.922 6 Q CB 1.546 30.333 28.738 0.082 0.000 1.215 6 Q HN 0.672 nan 8.270 nan 0.000 0.427 7 A N 3.414 126.282 122.820 0.080 0.000 2.407 7 A HA 0.413 4.733 4.320 0.001 0.000 0.248 7 A C -0.481 177.022 177.584 -0.134 0.000 1.082 7 A CA -0.160 51.840 52.037 -0.061 0.000 0.785 7 A CB 0.364 19.274 19.000 -0.150 0.000 1.020 7 A HN 0.651 nan 8.150 nan 0.000 0.489 8 K N 0.573 120.843 120.400 -0.217 0.000 2.259 8 K HA 0.539 4.859 4.320 0.001 0.000 0.249 8 K C -1.825 174.629 176.600 -0.243 0.000 0.942 8 K CA -0.236 56.016 56.287 -0.059 0.000 0.816 8 K CB 1.817 34.403 32.500 0.143 0.000 1.155 8 K HN 0.671 nan 8.250 nan 0.000 0.428 9 Y N 0.694 120.990 120.300 -0.008 0.000 2.376 9 Y HA 0.266 4.817 4.550 0.001 0.000 0.340 9 Y C 1.301 176.690 175.900 -0.853 0.000 0.965 9 Y CA -0.783 57.038 58.100 -0.465 0.000 1.078 9 Y CB 1.823 39.855 38.460 -0.714 0.000 1.193 9 Y HN 0.580 nan 8.280 nan 0.000 0.452 10 R N 1.518 121.231 120.500 -1.312 0.000 2.103 10 R HA -0.193 4.148 4.340 0.001 0.000 0.242 10 R C 1.853 177.909 176.300 -0.407 0.000 1.142 10 R CA 2.185 57.512 56.100 -1.290 0.000 0.960 10 R CB -0.295 29.431 30.300 -0.958 0.000 0.858 10 R HN 0.963 nan 8.270 nan 0.000 0.439 11 H N -2.025 116.955 119.070 -0.150 0.000 2.545 11 H HA -0.030 4.527 4.556 0.001 0.000 0.282 11 H C 0.350 175.691 175.328 0.021 0.000 1.020 11 H CA 0.624 56.651 56.048 -0.035 0.000 1.243 11 H CB 0.065 29.808 29.762 -0.031 0.000 1.377 11 H HN 0.234 nan 8.280 nan 0.000 0.581 12 D N 0.625 121.086 120.400 0.101 0.000 2.340 12 D HA -0.049 4.592 4.640 0.001 0.000 0.220 12 D C 0.158 176.535 176.300 0.128 0.000 1.039 12 D CA -0.114 53.982 54.000 0.160 0.000 0.866 12 D CB -0.462 40.429 40.800 0.152 0.000 0.913 12 D HN 0.387 nan 8.370 nan 0.000 0.523 13 Y N 2.359 122.688 120.300 0.048 0.000 2.810 13 Y HA -0.065 4.486 4.550 0.001 0.000 0.332 13 Y C 0.391 176.328 175.900 0.062 0.000 1.243 13 Y CA 0.384 58.525 58.100 0.069 0.000 1.537 13 Y CB 0.284 38.778 38.460 0.057 0.000 1.265 13 Y HN -0.225 nan 8.280 nan 0.000 0.572 14 R N 5.025 124.998 120.500 -0.878 0.000 2.604 14 R HA 0.687 5.028 4.340 0.001 0.000 0.281 14 R C -1.076 174.712 176.300 -0.853 0.000 1.020 14 R CA -0.597 55.123 56.100 -0.634 0.000 0.899 14 R CB 1.231 31.384 30.300 -0.245 0.000 1.205 14 R HN 0.880 nan 8.270 nan 0.000 0.450 15 A N 5.123 127.660 122.820 -0.471 0.000 2.561 15 A HA 0.215 4.535 4.320 0.001 0.000 0.234 15 A C -2.003 175.481 177.584 -0.166 0.000 1.055 15 A CA -0.669 51.242 52.037 -0.210 0.000 0.756 15 A CB -0.359 18.618 19.000 -0.038 0.000 0.986 15 A HN 0.552 nan 8.150 nan 0.000 0.505 16 P HA 0.138 nan 4.420 nan 0.000 0.275 16 P C -0.266 177.016 177.300 -0.030 0.000 1.228 16 P CA -0.267 62.802 63.100 -0.051 0.000 0.786 16 P CB 0.752 32.439 31.700 -0.023 0.000 0.927 17 D N 0.453 120.867 120.400 0.023 0.000 2.219 17 D HA -0.082 4.559 4.640 0.001 0.000 0.205 17 D C 0.081 176.277 176.300 -0.173 0.000 0.970 17 D CA 1.798 55.776 54.000 -0.036 0.000 0.851 17 D CB -0.123 40.704 40.800 0.045 0.000 0.943 17 D HN 0.444 nan 8.370 nan 0.000 0.488 18 Y N -0.192 120.140 120.300 0.054 0.000 2.477 18 Y HA 0.355 4.905 4.550 0.001 0.000 0.347 18 Y C 0.363 176.267 175.900 0.006 0.000 0.981 18 Y CA -0.973 57.172 58.100 0.076 0.000 1.033 18 Y CB 1.607 40.098 38.460 0.052 0.000 1.245 18 Y HN -0.365 nan 8.280 nan 0.000 0.455 19 Q N 2.377 122.294 119.800 0.195 0.000 2.257 19 Q HA 0.580 4.921 4.340 0.001 0.000 0.262 19 Q C -1.097 174.905 176.000 0.004 0.000 0.997 19 Q CA -0.753 55.076 55.803 0.043 0.000 0.873 19 Q CB 2.967 31.711 28.738 0.011 0.000 1.312 19 Q HN 0.700 nan 8.270 nan 0.000 0.450 20 I N 0.942 121.476 120.570 -0.060 0.000 2.406 20 I HA 0.183 4.354 4.170 0.001 0.000 0.290 20 I C 1.217 177.314 176.117 -0.033 0.000 0.999 20 I CA -0.154 61.092 61.300 -0.089 0.000 1.124 20 I CB 2.006 39.913 38.000 -0.154 0.000 1.289 20 I HN 0.714 nan 8.210 nan 0.000 0.441 21 T N -0.114 114.415 114.554 -0.042 0.000 3.040 21 T HA 0.236 4.587 4.350 0.001 0.000 0.252 21 T C 0.133 174.818 174.700 -0.025 0.000 1.064 21 T CA 0.298 62.389 62.100 -0.016 0.000 1.110 21 T CB -0.020 68.838 68.868 -0.017 0.000 0.921 21 T HN 0.518 nan 8.240 nan 0.000 0.480 22 D N -0.065 120.297 120.400 -0.063 0.000 2.927 22 D HA 0.621 5.261 4.640 0.001 0.000 0.219 22 D C -1.732 174.481 176.300 -0.145 0.000 1.248 22 D CA -0.449 53.499 54.000 -0.088 0.000 0.861 22 D CB 2.551 43.315 40.800 -0.061 0.000 1.677 22 D HN 0.342 nan 8.370 nan 0.000 0.511 23 I N 1.041 121.459 120.570 -0.253 0.000 2.569 23 I HA 0.369 4.539 4.170 0.001 0.000 0.290 23 I C -1.603 174.376 176.117 -0.231 0.000 1.088 23 I CA -0.606 60.514 61.300 -0.300 0.000 1.047 23 I CB 1.482 39.165 38.000 -0.528 0.000 1.237 23 I HN 0.215 nan 8.210 nan 0.000 0.421 24 D N 8.805 129.128 120.400 -0.127 0.000 2.414 24 D HA 0.433 5.073 4.640 0.001 0.000 0.232 24 D C -0.646 175.621 176.300 -0.056 0.000 1.070 24 D CA -0.011 53.958 54.000 -0.053 0.000 0.839 24 D CB 2.252 43.029 40.800 -0.039 0.000 1.079 24 D HN 0.394 nan 8.370 nan 0.000 0.521 25 L N 1.444 122.673 121.223 0.009 0.000 2.322 25 L HA 0.465 4.806 4.340 0.001 0.000 0.279 25 L C 0.327 177.211 176.870 0.023 0.000 1.036 25 L CA -0.335 54.487 54.840 -0.029 0.000 0.807 25 L CB 1.808 43.918 42.059 0.085 0.000 1.226 25 L HN 0.142 nan 8.230 nan 0.000 0.433 26 T N 2.163 116.638 114.554 -0.131 0.000 2.841 26 T HA 0.549 4.900 4.350 0.001 0.000 0.285 26 T C -0.901 173.691 174.700 -0.180 0.000 0.991 26 T CA -0.347 61.726 62.100 -0.045 0.000 0.966 26 T CB 0.846 69.664 68.868 -0.083 0.000 0.962 26 T HN 0.069 nan 8.240 nan 0.000 0.438 27 F N 2.089 122.058 119.950 0.031 0.000 2.402 27 F HA 0.347 4.875 4.527 0.001 0.000 0.355 27 F C 0.481 176.287 175.800 0.010 0.000 1.123 27 F CA -1.144 56.868 58.000 0.020 0.000 1.021 27 F CB 1.243 40.270 39.000 0.046 0.000 1.160 27 F HN 0.394 nan 8.300 nan 0.000 0.451 28 D N 5.031 125.507 120.400 0.126 0.000 2.441 28 D HA 0.234 4.874 4.640 0.001 0.000 0.221 28 D C -0.412 175.951 176.300 0.105 0.000 1.156 28 D CA -0.010 54.047 54.000 0.096 0.000 0.896 28 D CB 0.436 41.262 40.800 0.043 0.000 1.028 28 D HN 0.424 nan 8.370 nan 0.000 0.509 29 L N 2.985 124.268 121.223 0.099 0.000 2.349 29 L HA 0.322 4.662 4.340 0.001 0.000 0.275 29 L C 0.152 177.041 176.870 0.032 0.000 1.115 29 L CA -0.031 54.826 54.840 0.029 0.000 0.820 29 L CB 0.961 42.947 42.059 -0.122 0.000 1.135 29 L HN 0.386 nan 8.230 nan 0.000 0.445 30 D N 1.391 121.811 120.400 0.033 0.000 2.836 30 D HA 0.359 5.000 4.640 0.001 0.000 0.215 30 D C 0.281 176.623 176.300 0.071 0.000 1.255 30 D CA -0.217 53.835 54.000 0.087 0.000 0.822 30 D CB 1.593 42.447 40.800 0.091 0.000 1.656 30 D HN 0.442 nan 8.370 nan 0.000 0.511 31 A N 2.197 125.086 122.820 0.114 0.000 1.940 31 A HA -0.189 4.132 4.320 0.001 0.000 0.219 31 A C 1.706 179.327 177.584 0.060 0.000 1.176 31 A CA 1.423 53.514 52.037 0.089 0.000 0.631 31 A CB -0.289 18.780 19.000 0.116 0.000 0.814 31 A HN 0.602 nan 8.150 nan 0.000 0.446 32 Q N -1.078 118.757 119.800 0.059 0.000 2.165 32 Q HA 0.125 4.465 4.340 0.001 0.000 0.197 32 Q C 0.719 176.742 176.000 0.038 0.000 0.952 32 Q CA 1.047 56.876 55.803 0.043 0.000 0.848 32 Q CB 0.115 28.876 28.738 0.039 0.000 0.931 32 Q HN 0.656 nan 8.270 nan 0.000 0.470 33 K N 0.765 121.190 120.400 0.043 0.000 2.690 33 K HA 0.282 4.603 4.320 0.001 0.000 0.243 33 K C -1.381 175.244 176.600 0.040 0.000 0.982 33 K CA 0.052 56.360 56.287 0.035 0.000 0.955 33 K CB 1.259 33.776 32.500 0.030 0.000 1.185 33 K HN -0.173 nan 8.250 nan 0.000 0.467 34 T N 2.818 117.397 114.554 0.041 0.000 2.767 34 T HA 0.279 4.629 4.350 0.001 0.000 0.288 34 T C -0.476 174.239 174.700 0.026 0.000 0.963 34 T CA -0.458 61.676 62.100 0.057 0.000 1.019 34 T CB 1.211 70.138 68.868 0.098 0.000 0.923 34 T HN 0.218 nan 8.240 nan 0.000 0.468 35 V N 4.692 124.614 119.914 0.013 0.000 2.370 35 V HA 0.379 4.500 4.120 0.001 0.000 0.279 35 V C 0.037 176.064 176.094 -0.111 0.000 1.029 35 V CA -0.701 61.575 62.300 -0.040 0.000 0.870 35 V CB 1.360 33.165 31.823 -0.030 0.000 0.984 35 V HN 0.656 nan 8.190 nan 0.000 0.451 36 V N 4.142 123.939 119.914 -0.196 0.000 2.398 36 V HA 0.471 4.591 4.120 0.001 0.000 0.286 36 V C 0.257 176.176 176.094 -0.293 0.000 1.026 36 V CA -0.264 61.801 62.300 -0.392 0.000 0.868 36 V CB 1.874 33.405 31.823 -0.487 0.000 0.982 36 V HN 0.931 nan 8.190 nan 0.000 0.443 37 T N 4.368 118.741 114.554 -0.303 0.000 2.786 37 T HA 0.718 5.069 4.350 0.001 0.000 0.283 37 T C -0.126 174.443 174.700 -0.219 0.000 0.992 37 T CA -0.313 61.663 62.100 -0.207 0.000 0.954 37 T CB 1.459 70.232 68.868 -0.157 0.000 0.934 37 T HN 0.900 nan 8.240 nan 0.000 0.440 38 A N 3.126 125.846 122.820 -0.166 0.000 2.332 38 A HA 0.712 5.032 4.320 0.001 0.000 0.300 38 A C -0.630 176.904 177.584 -0.083 0.000 1.153 38 A CA -0.653 51.302 52.037 -0.136 0.000 0.764 38 A CB 0.957 19.887 19.000 -0.117 0.000 1.174 38 A HN 0.666 nan 8.150 nan 0.000 0.467 39 V N 2.745 122.609 119.914 -0.083 0.000 2.313 39 V HA 0.449 4.570 4.120 0.001 0.000 0.278 39 V C 0.092 176.146 176.094 -0.067 0.000 1.017 39 V CA -0.281 61.978 62.300 -0.067 0.000 0.823 39 V CB 1.058 32.839 31.823 -0.071 0.000 1.010 39 V HN 0.837 nan 8.190 nan 0.000 0.443 40 S N 4.318 119.987 115.700 -0.051 0.000 2.472 40 S HA 0.525 4.996 4.470 0.001 0.000 0.303 40 S C -0.588 173.943 174.600 -0.115 0.000 1.099 40 S CA -0.795 57.366 58.200 -0.064 0.000 1.077 40 S CB 1.621 64.815 63.200 -0.010 0.000 1.031 40 S HN 0.660 nan 8.310 nan 0.000 0.487 41 Q N 1.912 121.631 119.800 -0.134 0.000 2.331 41 Q HA 0.604 4.945 4.340 0.001 0.000 0.257 41 Q C -0.442 175.405 176.000 -0.255 0.000 0.957 41 Q CA -0.280 55.415 55.803 -0.180 0.000 0.923 41 Q CB 1.358 30.024 28.738 -0.120 0.000 1.212 41 Q HN 0.716 nan 8.270 nan 0.000 0.443 42 A N 2.194 124.722 122.820 -0.486 0.000 2.337 42 A HA 0.821 5.141 4.320 0.001 0.000 0.331 42 A C -0.686 176.599 177.584 -0.499 0.000 1.137 42 A CA -0.627 51.070 52.037 -0.567 0.000 0.807 42 A CB 1.412 19.865 19.000 -0.912 0.000 1.250 42 A HN 0.422 nan 8.150 nan 0.000 0.468 43 V N 1.706 121.511 119.914 -0.181 0.000 2.623 43 V HA 0.429 4.549 4.120 0.001 0.000 0.304 43 V C 0.076 176.194 176.094 0.040 0.000 1.054 43 V CA -0.648 61.604 62.300 -0.080 0.000 0.882 43 V CB 1.599 33.381 31.823 -0.069 0.000 1.002 43 V HN 0.996 nan 8.190 nan 0.000 0.424 44 R N 2.835 123.311 120.500 -0.039 0.000 2.298 44 R HA 0.349 4.690 4.340 0.001 0.000 0.310 44 R C 0.408 176.523 176.300 -0.309 0.000 1.068 44 R CA -0.142 55.762 56.100 -0.327 0.000 0.957 44 R CB 0.418 30.502 30.300 -0.360 0.000 1.003 44 R HN 0.855 nan 8.270 nan 0.000 0.454 45 H N 2.073 120.977 119.070 -0.276 0.000 2.729 45 H HA 0.131 4.687 4.556 0.001 0.000 0.263 45 H C 0.932 176.166 175.328 -0.157 0.000 0.961 45 H CA 0.427 56.381 56.048 -0.156 0.000 1.217 45 H CB 1.151 30.853 29.762 -0.100 0.000 1.447 45 H HN 0.744 nan 8.280 nan 0.000 0.496 46 G N 0.689 109.415 108.800 -0.124 0.000 2.509 46 G HA2 0.423 4.383 3.960 0.001 0.000 0.269 46 G HA3 0.423 4.383 3.960 0.001 0.000 0.269 46 G C -0.202 174.637 174.900 -0.101 0.000 1.416 46 G CA 0.014 45.052 45.100 -0.103 0.000 1.052 46 G HN 0.296 nan 8.290 nan 0.000 0.542 47 A N -0.629 122.155 122.820 -0.059 0.000 2.498 47 A HA 0.397 4.718 4.320 0.001 0.000 0.239 47 A C 1.829 179.395 177.584 -0.030 0.000 1.068 47 A CA 0.694 52.712 52.037 -0.031 0.000 0.766 47 A CB 0.191 19.188 19.000 -0.005 0.000 1.003 47 A HN 1.454 nan 8.150 nan 0.000 0.497 48 S N 0.982 116.673 115.700 -0.014 0.000 2.440 48 S HA -0.176 4.295 4.470 0.001 0.000 0.238 48 S C 0.889 175.514 174.600 0.042 0.000 1.010 48 S CA 1.380 59.584 58.200 0.007 0.000 0.972 48 S CB -0.314 62.893 63.200 0.011 0.000 0.774 48 S HN 0.854 nan 8.310 nan 0.000 0.501 49 D N 1.529 121.954 120.400 0.042 0.000 2.340 49 D HA 0.337 4.977 4.640 0.001 0.000 0.217 49 D C 0.455 176.806 176.300 0.085 0.000 1.081 49 D CA 0.107 54.144 54.000 0.061 0.000 0.842 49 D CB -0.267 40.558 40.800 0.042 0.000 0.934 49 D HN 0.493 nan 8.370 nan 0.000 0.511 50 A N 1.927 124.805 122.820 0.096 0.000 2.409 50 A HA 0.487 4.808 4.320 0.001 0.000 0.262 50 A C -2.237 175.505 177.584 0.264 0.000 1.113 50 A CA -1.035 51.087 52.037 0.142 0.000 0.790 50 A CB 0.224 19.286 19.000 0.104 0.000 1.046 50 A HN 0.106 nan 8.150 nan 0.000 0.496 51 P HA 0.293 nan 4.420 nan 0.000 0.279 51 P C -0.634 176.773 177.300 0.179 0.000 1.252 51 P CA -0.562 62.640 63.100 0.171 0.000 0.811 51 P CB 0.790 32.549 31.700 0.098 0.000 1.035 52 L N 2.928 124.072 121.223 -0.132 0.000 2.319 52 L HA 0.251 4.592 4.340 0.001 0.000 0.280 52 L C 0.211 177.013 176.870 -0.114 0.000 1.099 52 L CA 0.224 54.846 54.840 -0.363 0.000 0.828 52 L CB -0.245 41.416 42.059 -0.664 0.000 1.150 52 L HN 0.267 nan 8.230 nan 0.000 0.442 53 R N 6.454 126.936 120.500 -0.030 0.000 2.320 53 R HA 0.500 4.841 4.340 0.001 0.000 0.319 53 R C -1.225 175.082 176.300 0.012 0.000 0.969 53 R CA -0.605 55.499 56.100 0.008 0.000 0.857 53 R CB 0.877 31.208 30.300 0.053 0.000 1.160 53 R HN 0.611 nan 8.270 nan 0.000 0.491 54 L N 2.809 124.033 121.223 0.002 0.000 2.307 54 L HA 0.358 4.699 4.340 0.001 0.000 0.282 54 L C 0.210 177.186 176.870 0.178 0.000 1.051 54 L CA -0.930 53.951 54.840 0.068 0.000 0.804 54 L CB 1.113 43.204 42.059 0.053 0.000 1.197 54 L HN 0.461 nan 8.230 nan 0.000 0.431 55 N N 1.984 120.809 118.700 0.210 0.000 2.529 55 N HA 0.538 5.278 4.740 0.001 0.000 0.278 55 N C -0.140 175.510 175.510 0.234 0.000 1.146 55 N CA -0.101 53.077 53.050 0.214 0.000 0.980 55 N CB 1.938 40.537 38.487 0.185 0.000 1.124 55 N HN 0.791 nan 8.380 nan 0.000 0.458 56 G N 0.494 109.368 108.800 0.122 0.000 2.755 56 G HA2 0.345 4.305 3.960 0.001 0.000 0.297 56 G HA3 0.345 4.305 3.960 0.001 0.000 0.297 56 G C -1.466 173.276 174.900 -0.264 0.000 1.441 56 G CA -0.484 44.462 45.100 -0.256 0.000 0.964 56 G HN 0.304 nan 8.290 nan 0.000 0.540 57 E N 1.708 121.640 120.200 -0.446 0.000 2.246 57 E HA 0.321 4.672 4.350 0.001 0.000 0.266 57 E C -0.947 175.429 176.600 -0.374 0.000 0.880 57 E CA -0.595 55.531 56.400 -0.457 0.000 0.762 57 E CB 2.109 31.301 29.700 -0.847 0.000 1.180 57 E HN 0.612 nan 8.360 nan 0.000 0.416 58 D N 1.862 122.147 120.400 -0.192 0.000 2.697 58 D HA -0.198 4.442 4.640 0.001 0.000 0.238 58 D C -0.416 175.808 176.300 -0.126 0.000 1.152 58 D CA 0.916 54.856 54.000 -0.100 0.000 0.666 58 D CB -1.112 39.675 40.800 -0.022 0.000 1.037 58 D HN 0.316 nan 8.370 nan 0.000 0.423 59 L N -0.287 120.826 121.223 -0.184 0.000 2.329 59 L HA 0.383 4.724 4.340 0.001 0.000 0.279 59 L C 0.812 177.628 176.870 -0.089 0.000 1.014 59 L CA -0.840 53.873 54.840 -0.211 0.000 0.814 59 L CB 2.086 43.856 42.059 -0.482 0.000 1.257 59 L HN -0.161 nan 8.230 nan 0.000 0.424 60 K N 3.421 123.788 120.400 -0.055 0.000 2.266 60 K HA 0.314 4.635 4.320 0.001 0.000 0.274 60 K C -0.813 175.791 176.600 0.008 0.000 1.090 60 K CA -0.764 55.521 56.287 -0.003 0.000 0.925 60 K CB 0.893 33.393 32.500 0.000 0.000 1.225 60 K HN 0.392 nan 8.250 nan 0.000 0.458 61 L N 5.529 126.787 121.223 0.057 0.000 2.410 61 L HA 0.048 4.388 4.340 0.001 0.000 0.273 61 L C 0.316 177.192 176.870 0.010 0.000 1.144 61 L CA 0.487 55.356 54.840 0.048 0.000 0.863 61 L CB 1.364 43.452 42.059 0.049 0.000 1.140 61 L HN 0.586 nan 8.230 nan 0.000 0.463 62 V N 2.612 122.519 119.914 -0.012 0.000 2.690 62 V HA 0.294 4.415 4.120 0.001 0.000 0.240 62 V C 0.558 176.654 176.094 0.003 0.000 1.078 62 V CA 1.039 63.341 62.300 0.003 0.000 1.102 62 V CB 0.166 31.989 31.823 0.001 0.000 0.800 62 V HN 0.935 nan 8.190 nan 0.000 0.479 63 S N -1.356 114.328 115.700 -0.027 0.000 2.567 63 S HA 0.685 5.156 4.470 0.001 0.000 0.270 63 S C -1.416 173.136 174.600 -0.081 0.000 1.152 63 S CA -0.634 57.554 58.200 -0.019 0.000 0.835 63 S CB 2.231 65.513 63.200 0.137 0.000 1.115 63 S HN -0.038 nan 8.310 nan 0.000 0.459 64 V N 3.057 122.872 119.914 -0.165 0.000 2.525 64 V HA 0.560 4.680 4.120 0.001 0.000 0.299 64 V C -0.810 175.215 176.094 -0.114 0.000 1.034 64 V CA -0.387 61.795 62.300 -0.196 0.000 0.863 64 V CB 1.252 32.760 31.823 -0.524 0.000 0.999 64 V HN 0.986 nan 8.190 nan 0.000 0.423 65 H N 5.000 124.045 119.070 -0.040 0.000 2.622 65 H HA 0.596 5.153 4.556 0.001 0.000 0.363 65 H C -1.245 174.043 175.328 -0.068 0.000 1.151 65 H CA -0.853 55.207 56.048 0.020 0.000 1.184 65 H CB 3.014 32.788 29.762 0.022 0.000 1.643 65 H HN 0.337 nan 8.280 nan 0.000 0.531 66 I N 2.651 123.243 120.570 0.035 0.000 2.410 66 I HA 0.035 4.206 4.170 0.001 0.000 0.286 66 I C 0.156 176.284 176.117 0.018 0.000 1.009 66 I CA -0.683 60.516 61.300 -0.168 0.000 1.111 66 I CB 1.000 38.495 38.000 -0.841 0.000 1.262 66 I HN 0.695 nan 8.210 nan 0.000 0.443 67 N N 5.239 123.973 118.700 0.055 0.000 2.727 67 N HA -0.218 4.523 4.740 0.001 0.000 0.249 67 N C 0.173 175.741 175.510 0.096 0.000 1.048 67 N CA 1.170 54.265 53.050 0.076 0.000 0.714 67 N CB -0.727 37.809 38.487 0.081 0.000 0.959 67 N HN 0.696 nan 8.380 nan 0.000 0.544 68 D N -2.389 118.079 120.400 0.114 0.000 2.978 68 D HA -0.227 4.413 4.640 0.001 0.000 0.205 68 D C 0.159 176.626 176.300 0.278 0.000 1.093 68 D CA 1.710 55.793 54.000 0.138 0.000 1.006 68 D CB -0.789 40.044 40.800 0.054 0.000 1.116 68 D HN 0.754 nan 8.370 nan 0.000 0.419 69 E N 1.384 121.740 120.200 0.260 0.000 2.152 69 E HA 0.381 4.731 4.350 0.001 0.000 0.285 69 E C -2.649 174.078 176.600 0.212 0.000 1.043 69 E CA -1.969 54.580 56.400 0.249 0.000 0.839 69 E CB 0.994 30.848 29.700 0.255 0.000 1.069 69 E HN -0.113 nan 8.360 nan 0.000 0.399 70 P HA -0.069 nan 4.420 nan 0.000 0.261 70 P C -0.987 176.350 177.300 0.062 0.000 1.183 70 P CA 0.251 63.197 63.100 -0.257 0.000 0.761 70 P CB 0.248 31.841 31.700 -0.179 0.000 0.785 71 W N 3.784 125.014 121.300 -0.117 0.000 2.390 71 W HA 0.151 4.812 4.660 0.001 0.000 0.312 71 W C 0.690 177.337 176.519 0.214 0.000 1.123 71 W CA -0.316 57.054 57.345 0.043 0.000 1.202 71 W CB 1.614 31.099 29.460 0.042 0.000 1.251 71 W HN 0.382 nan 8.180 nan 0.000 0.511 72 T N 0.887 115.241 114.554 -0.333 0.000 2.990 72 T HA 0.175 4.525 4.350 0.001 0.000 0.250 72 T C 0.811 175.245 174.700 -0.443 0.000 1.041 72 T CA 0.160 62.072 62.100 -0.313 0.000 1.010 72 T CB 0.343 69.010 68.868 -0.334 0.000 1.003 72 T HN 0.386 nan 8.240 nan 0.000 0.499 73 A N 2.793 125.262 122.820 -0.585 0.000 3.126 73 A HA 0.562 4.882 4.320 0.001 0.000 0.268 73 A C -0.082 177.626 177.584 0.206 0.000 1.605 73 A CA -1.088 50.790 52.037 -0.264 0.000 1.305 73 A CB -1.001 17.832 19.000 -0.278 0.000 1.160 73 A HN 0.700 nan 8.150 nan 0.000 0.609 74 W N 0.521 121.839 121.300 0.030 0.000 3.118 74 W HA 0.693 5.354 4.660 0.001 0.000 0.328 74 W C -1.330 175.178 176.519 -0.018 0.000 1.239 74 W CA -1.035 56.339 57.345 0.048 0.000 1.176 74 W CB 0.746 30.257 29.460 0.084 0.000 1.433 74 W HN 0.396 nan 8.180 nan 0.000 0.562 75 K N 0.567 121.129 120.400 0.271 0.000 2.527 75 K HA 0.510 4.830 4.320 0.001 0.000 0.260 75 K C -1.264 175.505 176.600 0.282 0.000 0.937 75 K CA -0.747 55.624 56.287 0.139 0.000 0.826 75 K CB 3.114 35.598 32.500 -0.026 0.000 1.359 75 K HN 0.459 nan 8.250 nan 0.000 0.434 76 E N 1.974 122.347 120.200 0.289 0.000 2.259 76 E HA 0.092 4.442 4.350 0.001 0.000 0.281 76 E C -0.723 175.944 176.600 0.112 0.000 1.027 76 E CA -0.466 56.041 56.400 0.179 0.000 0.838 76 E CB 1.345 31.180 29.700 0.225 0.000 1.066 76 E HN 0.634 nan 8.360 nan 0.000 0.401 77 E N 1.809 122.063 120.200 0.091 0.000 2.428 77 E HA 0.310 4.661 4.350 0.001 0.000 0.259 77 E C -0.755 175.895 176.600 0.084 0.000 0.930 77 E CA -1.060 55.385 56.400 0.074 0.000 0.823 77 E CB 0.605 30.340 29.700 0.059 0.000 1.403 77 E HN 0.136 nan 8.360 nan 0.000 0.415 78 E N -0.027 120.212 120.200 0.065 0.000 2.498 78 E HA 0.158 4.509 4.350 0.001 0.000 0.252 78 E C 0.716 177.358 176.600 0.070 0.000 1.025 78 E CA 1.646 58.081 56.400 0.059 0.000 0.938 78 E CB -0.259 29.466 29.700 0.042 0.000 0.947 78 E HN 0.819 nan 8.360 nan 0.000 0.478 79 G N 2.607 111.451 108.800 0.074 0.000 2.166 79 G HA2 -0.149 3.811 3.960 0.001 0.000 0.260 79 G HA3 -0.149 3.811 3.960 0.001 0.000 0.260 79 G C 0.185 175.169 174.900 0.140 0.000 0.986 79 G CA 0.413 45.559 45.100 0.075 0.000 0.683 79 G HN 1.071 nan 8.290 nan 0.000 0.527 80 A N -1.395 121.534 122.820 0.182 0.000 2.606 80 A HA 0.865 5.185 4.320 0.001 0.000 0.293 80 A C -1.225 176.400 177.584 0.068 0.000 1.082 80 A CA -0.304 51.837 52.037 0.173 0.000 0.685 80 A CB 1.807 20.866 19.000 0.098 0.000 1.284 80 A HN 1.580 nan 8.150 nan 0.000 0.408 81 L N 1.636 122.770 121.223 -0.148 0.000 2.343 81 L HA 0.725 5.066 4.340 0.001 0.000 0.278 81 L C -1.331 175.452 176.870 -0.145 0.000 0.996 81 L CA -0.376 54.239 54.840 -0.375 0.000 0.831 81 L CB 1.676 43.066 42.059 -1.115 0.000 1.232 81 L HN 0.435 nan 8.230 nan 0.000 0.413 82 V N 6.954 126.859 119.914 -0.015 0.000 2.347 82 V HA 0.476 4.597 4.120 0.001 0.000 0.280 82 V C 0.095 176.239 176.094 0.083 0.000 1.021 82 V CA -0.332 61.984 62.300 0.026 0.000 0.847 82 V CB 1.240 33.093 31.823 0.051 0.000 0.990 82 V HN 0.605 nan 8.190 nan 0.000 0.444 83 I N 3.823 124.410 120.570 0.028 0.000 2.362 83 I HA 0.455 4.625 4.170 0.001 0.000 0.289 83 I C 0.329 176.493 176.117 0.079 0.000 0.994 83 I CA 0.087 61.436 61.300 0.081 0.000 1.158 83 I CB 1.826 39.754 38.000 -0.120 0.000 1.315 83 I HN 0.514 nan 8.210 nan 0.000 0.451 84 S N 4.480 120.318 115.700 0.231 0.000 2.690 84 S HA 0.388 4.859 4.470 0.001 0.000 0.291 84 S C 0.174 174.950 174.600 0.293 0.000 1.138 84 S CA -0.552 57.764 58.200 0.193 0.000 1.013 84 S CB 1.007 64.287 63.200 0.134 0.000 1.053 84 S HN 0.769 nan 8.310 nan 0.000 0.539 85 N N 0.408 119.225 118.700 0.194 0.000 2.756 85 N HA -0.138 4.603 4.740 0.001 0.000 0.248 85 N C -1.132 174.530 175.510 0.254 0.000 1.062 85 N CA 0.413 53.587 53.050 0.206 0.000 0.696 85 N CB -1.756 36.833 38.487 0.170 0.000 0.946 85 N HN 0.456 nan 8.380 nan 0.000 0.548 86 L N 0.234 121.499 121.223 0.069 0.000 2.399 86 L HA 0.551 4.892 4.340 0.001 0.000 0.265 86 L C -1.315 175.531 176.870 -0.041 0.000 1.089 86 L CA -1.623 53.094 54.840 -0.205 0.000 0.802 86 L CB 0.424 42.133 42.059 -0.583 0.000 1.180 86 L HN -0.084 nan 8.230 nan 0.000 0.454 87 P HA 0.034 nan 4.420 nan 0.000 0.274 87 P C 0.226 177.689 177.300 0.271 0.000 1.260 87 P CA -0.428 62.740 63.100 0.112 0.000 0.793 87 P CB 0.608 32.386 31.700 0.131 0.000 1.048 88 E N -0.186 120.133 120.200 0.198 0.000 2.106 88 E HA -0.119 4.232 4.350 0.001 0.000 0.192 88 E C -0.029 176.682 176.600 0.185 0.000 0.984 88 E CA 0.872 57.366 56.400 0.158 0.000 0.806 88 E CB 0.226 29.956 29.700 0.049 0.000 0.750 88 E HN 0.299 nan 8.360 nan 0.000 0.458 89 R N -0.549 120.070 120.500 0.197 0.000 2.628 89 R HA 0.434 4.774 4.340 0.001 0.000 0.288 89 R C -1.279 175.130 176.300 0.182 0.000 0.980 89 R CA -0.607 55.532 56.100 0.065 0.000 0.891 89 R CB 1.575 31.870 30.300 -0.007 0.000 1.188 89 R HN 0.004 nan 8.270 nan 0.000 0.450 90 F N -2.410 117.526 119.950 -0.024 0.000 2.741 90 F HA 0.447 4.974 4.527 0.001 0.000 0.311 90 F C -1.137 174.621 175.800 -0.070 0.000 1.149 90 F CA -1.108 56.856 58.000 -0.059 0.000 0.930 90 F CB 1.397 40.329 39.000 -0.114 0.000 1.312 90 F HN 0.150 nan 8.300 nan 0.000 0.450 91 T N 3.262 117.884 114.554 0.113 0.000 2.733 91 T HA 0.518 4.868 4.350 0.001 0.000 0.294 91 T C -0.869 173.901 174.700 0.117 0.000 0.956 91 T CA -0.284 61.835 62.100 0.033 0.000 0.987 91 T CB 0.983 69.858 68.868 0.012 0.000 0.920 91 T HN 0.700 nan 8.240 nan 0.000 0.470 92 L N 3.927 125.194 121.223 0.073 0.000 2.275 92 L HA 0.562 4.903 4.340 0.001 0.000 0.288 92 L C -0.084 176.787 176.870 0.002 0.000 1.046 92 L CA -0.176 54.700 54.840 0.059 0.000 0.805 92 L CB 0.674 42.770 42.059 0.062 0.000 1.193 92 L HN 0.460 nan 8.230 nan 0.000 0.426 93 K N 5.925 126.327 120.400 0.003 0.000 2.323 93 K HA 0.553 4.874 4.320 0.001 0.000 0.259 93 K C -1.501 175.096 176.600 -0.006 0.000 0.947 93 K CA -0.686 55.593 56.287 -0.013 0.000 0.819 93 K CB 1.003 33.479 32.500 -0.040 0.000 1.109 93 K HN 0.563 nan 8.250 nan 0.000 0.429 94 I N 6.112 126.662 120.570 -0.032 0.000 2.465 94 I HA 0.387 4.558 4.170 0.001 0.000 0.291 94 I C -0.220 175.863 176.117 -0.056 0.000 1.014 94 I CA -0.806 60.471 61.300 -0.038 0.000 1.093 94 I CB 1.627 39.621 38.000 -0.011 0.000 1.267 94 I HN 0.615 nan 8.210 nan 0.000 0.431 95 I N 7.174 127.716 120.570 -0.045 0.000 2.406 95 I HA 0.396 4.566 4.170 0.001 0.000 0.290 95 I C -0.229 175.854 176.117 -0.057 0.000 0.999 95 I CA -0.477 60.784 61.300 -0.065 0.000 1.124 95 I CB 1.651 39.623 38.000 -0.045 0.000 1.289 95 I HN 0.622 nan 8.210 nan 0.000 0.441 96 N N 4.765 123.414 118.700 -0.086 0.000 2.610 96 N HA 0.463 5.203 4.740 0.001 0.000 0.264 96 N C -1.484 173.975 175.510 -0.086 0.000 1.348 96 N CA -0.910 52.095 53.050 -0.075 0.000 0.819 96 N CB 2.353 40.784 38.487 -0.093 0.000 1.521 96 N HN 0.466 nan 8.380 nan 0.000 0.497 97 E N 0.518 120.680 120.200 -0.063 0.000 2.227 97 E HA 0.634 4.985 4.350 0.001 0.000 0.268 97 E C -0.439 176.132 176.600 -0.048 0.000 0.907 97 E CA -0.875 55.497 56.400 -0.046 0.000 0.786 97 E CB 2.562 32.251 29.700 -0.019 0.000 1.191 97 E HN 0.576 nan 8.360 nan 0.000 0.411 98 I N -2.241 118.314 120.570 -0.025 0.000 3.191 98 I HA 0.633 4.803 4.170 0.001 0.000 0.313 98 I C -0.797 175.331 176.117 0.017 0.000 1.193 98 I CA -0.877 60.417 61.300 -0.010 0.000 0.968 98 I CB 2.423 40.418 38.000 -0.008 0.000 1.262 98 I HN 0.335 nan 8.210 nan 0.000 0.456 99 S N 2.635 118.351 115.700 0.027 0.000 2.395 99 S HA 0.512 4.983 4.470 0.001 0.000 0.207 99 S C -2.078 172.548 174.600 0.044 0.000 1.454 99 S CA -1.278 56.941 58.200 0.033 0.000 1.211 99 S CB 0.728 63.943 63.200 0.025 0.000 1.093 99 S HN 0.567 nan 8.310 nan 0.000 0.472 100 P HA -0.080 nan 4.420 nan 0.000 0.216 100 P C 1.409 178.747 177.300 0.063 0.000 1.150 100 P CA 1.276 64.415 63.100 0.066 0.000 0.843 100 P CB 0.147 31.872 31.700 0.043 0.000 0.787 101 A N -0.245 122.601 122.820 0.043 0.000 2.019 101 A HA -0.030 4.291 4.320 0.001 0.000 0.219 101 A C 2.171 179.765 177.584 0.017 0.000 1.164 101 A CA 1.758 53.811 52.037 0.027 0.000 0.644 101 A CB -1.349 17.665 19.000 0.024 0.000 0.805 101 A HN 0.223 nan 8.150 nan 0.000 0.449 102 A N -0.616 122.217 122.820 0.021 0.000 2.218 102 A HA 0.079 4.400 4.320 0.001 0.000 0.209 102 A C 1.062 178.650 177.584 0.006 0.000 1.168 102 A CA 0.183 52.227 52.037 0.012 0.000 0.804 102 A CB -0.336 18.673 19.000 0.015 0.000 0.834 102 A HN 0.373 nan 8.150 nan 0.000 0.482 103 N N 1.454 120.165 118.700 0.018 0.000 2.807 103 N HA 0.032 4.773 4.740 0.001 0.000 0.259 103 N C 1.073 176.551 175.510 -0.053 0.000 1.149 103 N CA 0.834 53.885 53.050 0.001 0.000 1.042 103 N CB 0.471 38.993 38.487 0.058 0.000 1.367 103 N HN 0.379 nan 8.380 nan 0.000 0.516 104 T N -1.198 113.314 114.554 -0.071 0.000 3.067 104 T HA 0.096 4.447 4.350 0.001 0.000 0.261 104 T C 1.618 176.227 174.700 -0.153 0.000 1.110 104 T CA 0.512 62.554 62.100 -0.097 0.000 1.113 104 T CB 0.102 68.933 68.868 -0.062 0.000 0.917 104 T HN 0.249 nan 8.240 nan 0.000 0.499 105 A N 1.892 124.610 122.820 -0.170 0.000 2.119 105 A HA 0.398 4.719 4.320 0.001 0.000 0.217 105 A C 1.469 178.841 177.584 -0.353 0.000 1.153 105 A CA 0.543 52.450 52.037 -0.217 0.000 0.692 105 A CB -0.799 18.088 19.000 -0.188 0.000 0.799 105 A HN 0.715 nan 8.150 nan 0.000 0.458 106 L N -1.333 119.588 121.223 -0.504 0.000 3.717 106 L HA -0.203 4.138 4.340 0.001 0.000 0.411 106 L C 0.034 176.484 176.870 -0.699 0.000 1.233 106 L CA 0.831 55.035 54.840 -1.061 0.000 0.917 106 L CB -2.178 39.261 42.059 -1.034 0.000 1.902 106 L HN 0.815 nan 8.230 nan 0.000 0.894 107 E N 0.274 120.245 120.200 -0.382 0.000 2.241 107 E HA 0.608 4.959 4.350 0.001 0.000 0.263 107 E C 0.507 177.006 176.600 -0.167 0.000 0.882 107 E CA 0.124 56.363 56.400 -0.270 0.000 0.769 107 E CB 2.337 31.803 29.700 -0.390 0.000 1.185 107 E HN 0.302 nan 8.360 nan 0.000 0.415 108 G N 2.409 111.227 108.800 0.031 0.000 2.464 108 G HA2 -0.171 3.790 3.960 0.001 0.000 0.216 108 G HA3 -0.171 3.790 3.960 0.001 0.000 0.216 108 G C -1.349 173.682 174.900 0.217 0.000 1.186 108 G CA -0.333 44.846 45.100 0.131 0.000 1.010 108 G HN 0.705 nan 8.290 nan 0.000 0.585 109 L N 2.008 123.338 121.223 0.178 0.000 2.264 109 L HA 0.823 5.163 4.340 0.001 0.000 0.289 109 L C -0.023 176.947 176.870 0.166 0.000 1.044 109 L CA -0.761 54.154 54.840 0.125 0.000 0.807 109 L CB 0.361 42.481 42.059 0.102 0.000 1.192 109 L HN 1.122 nan 8.230 nan 0.000 0.425 110 Y N 1.728 122.031 120.300 0.005 0.000 2.715 110 Y HA 0.632 5.182 4.550 0.001 0.000 0.331 110 Y C -1.003 174.894 175.900 -0.004 0.000 1.197 110 Y CA -1.263 56.832 58.100 -0.008 0.000 1.079 110 Y CB 0.980 39.428 38.460 -0.020 0.000 1.298 110 Y HN 0.603 nan 8.280 nan 0.000 0.477 111 Q N 1.356 121.245 119.800 0.149 0.000 2.271 111 Q HA 0.518 4.859 4.340 0.001 0.000 0.258 111 Q C -1.305 174.722 176.000 0.046 0.000 0.936 111 Q CA -0.710 55.108 55.803 0.024 0.000 0.909 111 Q CB 1.538 30.282 28.738 0.009 0.000 1.253 111 Q HN 0.727 nan 8.270 nan 0.000 0.440 112 S N 3.248 118.944 115.700 -0.006 0.000 2.667 112 S HA 0.615 5.085 4.470 0.001 0.000 0.304 112 S C 0.329 174.974 174.600 0.075 0.000 1.135 112 S CA 0.406 58.660 58.200 0.090 0.000 1.125 112 S CB 0.243 63.622 63.200 0.299 0.000 0.996 112 S HN 1.057 nan 8.310 nan 0.000 0.474 113 G N 4.920 113.654 108.800 -0.110 0.000 2.596 113 G HA2 -0.293 3.668 3.960 0.001 0.000 0.304 113 G HA3 -0.293 3.668 3.960 0.001 0.000 0.304 113 G C 0.273 175.165 174.900 -0.013 0.000 1.189 113 G CA 0.702 45.812 45.100 0.015 0.000 0.986 113 G HN 0.632 nan 8.290 nan 0.000 0.548 114 D N 2.028 122.435 120.400 0.011 0.000 2.350 114 D HA 0.462 5.102 4.640 0.001 0.000 0.213 114 D C 1.365 177.695 176.300 0.051 0.000 1.031 114 D CA 0.932 54.929 54.000 -0.005 0.000 0.861 114 D CB 0.166 40.931 40.800 -0.058 0.000 0.926 114 D HN 0.773 nan 8.370 nan 0.000 0.520 115 A N 0.575 123.431 122.820 0.060 0.000 2.302 115 A HA 0.586 4.907 4.320 0.001 0.000 0.285 115 A C -0.133 177.504 177.584 0.087 0.000 1.105 115 A CA -0.349 51.757 52.037 0.116 0.000 0.816 115 A CB 0.620 19.711 19.000 0.152 0.000 1.067 115 A HN 0.112 nan 8.150 nan 0.000 0.489 116 L N 1.080 122.334 121.223 0.050 0.000 2.317 116 L HA 0.603 4.943 4.340 0.001 0.000 0.281 116 L C -0.166 176.594 176.870 -0.183 0.000 1.024 116 L CA -0.549 54.223 54.840 -0.114 0.000 0.810 116 L CB 1.333 43.273 42.059 -0.198 0.000 1.240 116 L HN 0.997 nan 8.230 nan 0.000 0.427 117 C N -0.435 118.655 119.300 -0.350 0.000 3.318 117 C HA 0.893 5.353 4.460 0.001 0.000 0.322 117 C C 0.084 174.812 174.990 -0.438 0.000 1.398 117 C CA -0.711 58.086 59.018 -0.370 0.000 1.339 117 C CB 1.511 29.068 27.740 -0.306 0.000 1.668 117 C HN 0.852 nan 8.230 nan 0.000 0.462 118 T N -0.674 113.744 114.554 -0.227 0.000 2.918 118 T HA 0.724 5.075 4.350 0.001 0.000 0.286 118 T C -0.962 173.833 174.700 0.158 0.000 1.026 118 T CA -0.150 61.938 62.100 -0.021 0.000 1.031 118 T CB 1.759 70.641 68.868 0.023 0.000 1.046 118 T HN 1.144 nan 8.240 nan 0.000 0.479 119 Q N 0.544 120.503 119.800 0.265 0.000 2.275 119 Q HA 0.515 4.856 4.340 0.001 0.000 0.266 119 Q C -0.690 175.391 176.000 0.135 0.000 1.002 119 Q CA -0.653 55.260 55.803 0.184 0.000 0.761 119 Q CB 0.976 29.746 28.738 0.053 0.000 1.255 119 Q HN 0.836 nan 8.270 nan 0.000 0.446 120 C N 2.592 121.994 119.300 0.170 0.000 2.935 120 C HA 0.296 4.757 4.460 0.001 0.000 0.308 120 C C 0.661 175.771 174.990 0.200 0.000 1.263 120 C CA -0.132 59.031 59.018 0.242 0.000 1.738 120 C CB -0.026 27.942 27.740 0.380 0.000 2.237 120 C HN 0.840 nan 8.230 nan 0.000 0.600 121 E N 0.868 121.148 120.200 0.134 0.000 2.338 121 E HA 0.394 4.744 4.350 0.001 0.000 0.272 121 E C 0.740 177.162 176.600 -0.297 0.000 1.029 121 E CA 0.108 56.503 56.400 -0.010 0.000 0.872 121 E CB 1.120 30.838 29.700 0.031 0.000 1.015 121 E HN 0.390 nan 8.360 nan 0.000 0.417 122 A N 4.542 127.077 122.820 -0.476 0.000 1.903 122 A HA -0.022 4.299 4.320 0.001 0.000 0.213 122 A C 0.906 178.371 177.584 -0.199 0.000 1.185 122 A CA 0.788 52.383 52.037 -0.737 0.000 0.628 122 A CB 0.142 18.396 19.000 -1.244 0.000 0.830 122 A HN 0.737 nan 8.150 nan 0.000 0.446 123 E N -0.820 119.331 120.200 -0.081 0.000 3.385 123 E HA 0.262 4.612 4.350 0.001 0.000 0.206 123 E C 0.896 177.630 176.600 0.223 0.000 0.997 123 E CA 0.136 56.624 56.400 0.146 0.000 1.278 123 E CB 0.631 30.399 29.700 0.115 0.000 1.165 123 E HN 0.464 nan 8.360 nan 0.000 0.452 124 G N 0.212 109.134 108.800 0.202 0.000 2.539 124 G HA2 -0.179 3.782 3.960 0.001 0.000 0.215 124 G HA3 -0.179 3.782 3.960 0.001 0.000 0.215 124 G C 1.106 176.198 174.900 0.320 0.000 1.141 124 G CA -0.119 45.097 45.100 0.194 0.000 0.806 124 G HN 0.302 nan 8.290 nan 0.000 0.533 125 F N 2.791 122.875 119.950 0.223 0.000 2.216 125 F HA -0.054 4.474 4.527 0.001 0.000 0.300 125 F C 2.775 178.663 175.800 0.146 0.000 1.085 125 F CA 1.428 59.537 58.000 0.181 0.000 1.326 125 F CB 0.087 39.184 39.000 0.162 0.000 1.027 125 F HN 0.206 nan 8.300 nan 0.000 0.497 126 R N -0.845 119.780 120.500 0.208 0.000 2.285 126 R HA -0.126 4.215 4.340 0.001 0.000 0.213 126 R C 1.250 177.437 176.300 -0.188 0.000 1.068 126 R CA 1.610 57.720 56.100 0.017 0.000 1.004 126 R CB -1.241 29.108 30.300 0.082 0.000 0.873 126 R HN 0.420 nan 8.270 nan 0.000 0.467 127 H N -0.015 118.992 119.070 -0.105 0.000 2.539 127 H HA 0.170 4.726 4.556 0.001 0.000 0.267 127 H C 1.470 176.696 175.328 -0.170 0.000 0.982 127 H CA 0.693 56.670 56.048 -0.119 0.000 1.146 127 H CB 0.407 30.141 29.762 -0.046 0.000 1.382 127 H HN 0.303 nan 8.280 nan 0.000 0.577 128 I N -0.893 119.555 120.570 -0.203 0.000 3.194 128 I HA 0.001 4.171 4.170 0.001 0.000 0.271 128 I C 0.906 176.766 176.117 -0.429 0.000 1.150 128 I CA 0.509 61.631 61.300 -0.296 0.000 1.440 128 I CB 0.856 38.618 38.000 -0.397 0.000 1.276 128 I HN -0.047 nan 8.210 nan 0.000 0.457 129 T N -1.598 112.608 114.554 -0.579 0.000 2.762 129 T HA 0.391 4.742 4.350 0.001 0.000 0.301 129 T C -1.762 172.770 174.700 -0.281 0.000 1.299 129 T CA -0.425 61.422 62.100 -0.423 0.000 1.005 129 T CB 0.858 69.500 68.868 -0.378 0.000 1.377 129 T HN -0.125 nan 8.240 nan 0.000 0.504 130 Y N 2.068 122.319 120.300 -0.081 0.000 2.436 130 Y HA 0.551 5.101 4.550 0.001 0.000 0.336 130 Y C -0.206 175.787 175.900 0.156 0.000 1.049 130 Y CA 0.310 58.412 58.100 0.005 0.000 1.294 130 Y CB 0.262 38.693 38.460 -0.048 0.000 1.179 130 Y HN 0.548 nan 8.280 nan 0.000 0.520 131 Y N 1.415 121.837 120.300 0.203 0.000 2.670 131 Y HA 0.439 4.989 4.550 0.001 0.000 0.334 131 Y C -1.285 174.736 175.900 0.201 0.000 1.185 131 Y CA -1.721 56.510 58.100 0.220 0.000 1.053 131 Y CB 1.259 39.968 38.460 0.414 0.000 1.298 131 Y HN 0.353 nan 8.280 nan 0.000 0.459 132 L N 3.533 124.479 121.223 -0.462 0.000 2.395 132 L HA 0.158 4.499 4.340 0.001 0.000 0.268 132 L C -0.384 176.548 176.870 0.102 0.000 1.223 132 L CA 0.187 54.896 54.840 -0.218 0.000 1.093 132 L CB -0.333 41.516 42.059 -0.351 0.000 1.349 132 L HN 0.471 nan 8.230 nan 0.000 0.427 133 D N 4.683 125.273 120.400 0.317 0.000 2.619 133 D HA 0.126 4.767 4.640 0.001 0.000 0.224 133 D C -0.028 176.501 176.300 0.381 0.000 1.133 133 D CA -0.203 54.076 54.000 0.465 0.000 1.017 133 D CB 0.139 41.219 40.800 0.467 0.000 1.077 133 D HN 0.440 nan 8.370 nan 0.000 0.503 134 R N 0.820 121.510 120.500 0.316 0.000 2.584 134 R HA 0.413 4.753 4.340 0.001 0.000 0.276 134 R C -2.594 173.796 176.300 0.149 0.000 1.046 134 R CA -1.431 54.804 56.100 0.225 0.000 0.906 134 R CB 1.320 31.715 30.300 0.159 0.000 1.215 134 R HN -0.197 nan 8.270 nan 0.000 0.449 135 P HA -0.078 nan 4.420 nan 0.000 0.242 135 P C -0.162 177.136 177.300 -0.003 0.000 1.197 135 P CA 0.747 63.835 63.100 -0.021 0.000 0.765 135 P CB 0.188 31.628 31.700 -0.433 0.000 0.936 136 D N -0.769 119.639 120.400 0.013 0.000 2.340 136 D HA 0.005 4.646 4.640 0.001 0.000 0.220 136 D C 0.317 176.645 176.300 0.047 0.000 1.039 136 D CA -0.175 53.849 54.000 0.041 0.000 0.866 136 D CB -0.483 40.378 40.800 0.101 0.000 0.913 136 D HN -0.017 nan 8.370 nan 0.000 0.523 137 V N 2.025 121.978 119.914 0.064 0.000 2.333 137 V HA 0.200 4.320 4.120 0.001 0.000 0.274 137 V C -0.550 175.608 176.094 0.108 0.000 1.028 137 V CA -0.696 61.637 62.300 0.055 0.000 0.851 137 V CB 1.396 33.230 31.823 0.018 0.000 1.000 137 V HN 0.117 nan 8.190 nan 0.000 0.456 138 L N 5.150 126.426 121.223 0.087 0.000 2.298 138 L HA 0.808 5.148 4.340 0.001 0.000 0.284 138 L C 0.253 177.200 176.870 0.129 0.000 1.013 138 L CA -0.237 54.671 54.840 0.113 0.000 0.824 138 L CB 0.949 43.054 42.059 0.076 0.000 1.221 138 L HN 0.687 nan 8.230 nan 0.000 0.418 139 A N 4.318 127.265 122.820 0.211 0.000 2.413 139 A HA 0.806 5.127 4.320 0.001 0.000 0.307 139 A C -0.198 177.522 177.584 0.227 0.000 1.087 139 A CA -0.781 51.344 52.037 0.147 0.000 0.750 139 A CB 1.358 20.386 19.000 0.047 0.000 1.296 139 A HN 0.660 nan 8.150 nan 0.000 0.423 140 R N 0.667 121.235 120.500 0.114 0.000 2.267 140 R HA 0.397 4.738 4.340 0.001 0.000 0.319 140 R C -1.511 174.871 176.300 0.137 0.000 1.067 140 R CA 0.177 56.371 56.100 0.156 0.000 0.936 140 R CB 0.343 30.683 30.300 0.066 0.000 1.006 140 R HN 0.530 nan 8.270 nan 0.000 0.452 141 F N 0.851 120.826 119.950 0.042 0.000 2.404 141 F HA 0.298 4.825 4.527 0.001 0.000 0.339 141 F C 0.628 176.493 175.800 0.109 0.000 1.105 141 F CA -0.228 57.814 58.000 0.069 0.000 1.087 141 F CB 2.038 41.100 39.000 0.104 0.000 1.143 141 F HN 0.301 nan 8.300 nan 0.000 0.491 142 T N 1.728 116.432 114.554 0.250 0.000 2.840 142 T HA 0.469 4.819 4.350 0.001 0.000 0.287 142 T C -0.654 174.221 174.700 0.290 0.000 0.991 142 T CA -0.733 61.513 62.100 0.242 0.000 0.964 142 T CB 1.250 70.201 68.868 0.138 0.000 0.954 142 T HN 0.451 nan 8.240 nan 0.000 0.438 143 T N 3.442 118.229 114.554 0.388 0.000 2.815 143 T HA 0.440 4.790 4.350 0.001 0.000 0.289 143 T C -0.394 174.572 174.700 0.442 0.000 1.000 143 T CA -0.773 61.607 62.100 0.467 0.000 0.958 143 T CB 1.225 70.444 68.868 0.586 0.000 0.944 143 T HN 0.433 nan 8.240 nan 0.000 0.442 144 K N 4.148 124.765 120.400 0.362 0.000 2.235 144 K HA 0.629 4.949 4.320 0.001 0.000 0.266 144 K C -1.038 175.774 176.600 0.353 0.000 0.980 144 K CA -0.707 55.771 56.287 0.318 0.000 0.849 144 K CB 0.668 33.246 32.500 0.131 0.000 1.098 144 K HN 0.554 nan 8.250 nan 0.000 0.445 145 I N 6.131 126.911 120.570 0.349 0.000 2.389 145 I HA 0.359 4.529 4.170 0.001 0.000 0.288 145 I C -0.559 175.698 176.117 0.233 0.000 0.999 145 I CA -0.842 60.623 61.300 0.275 0.000 1.129 145 I CB 1.624 39.736 38.000 0.187 0.000 1.288 145 I HN 0.470 nan 8.210 nan 0.000 0.444 146 I N 5.728 126.414 120.570 0.194 0.000 2.406 146 I HA 0.831 5.001 4.170 0.001 0.000 0.290 146 I C -0.035 176.177 176.117 0.159 0.000 0.999 146 I CA -0.291 61.121 61.300 0.187 0.000 1.124 146 I CB 1.826 39.909 38.000 0.139 0.000 1.289 146 I HN 0.707 nan 8.210 nan 0.000 0.441 147 A N 3.801 126.746 122.820 0.208 0.000 2.610 147 A HA 0.437 4.757 4.320 0.001 0.000 0.291 147 A C -1.471 176.345 177.584 0.387 0.000 1.086 147 A CA -0.713 51.484 52.037 0.267 0.000 0.677 147 A CB 1.271 20.401 19.000 0.218 0.000 1.278 147 A HN 0.703 nan 8.150 nan 0.000 0.414 148 D N 0.498 121.126 120.400 0.380 0.000 2.472 148 D HA 0.108 4.748 4.640 0.001 0.000 0.248 148 D C 1.089 177.524 176.300 0.224 0.000 1.174 148 D CA 0.650 54.804 54.000 0.256 0.000 0.883 148 D CB 0.714 41.615 40.800 0.168 0.000 1.149 148 D HN 0.518 nan 8.370 nan 0.000 0.488 149 K N 3.332 123.759 120.400 0.046 0.000 2.097 149 K HA -0.091 4.230 4.320 0.001 0.000 0.205 149 K C 1.710 178.192 176.600 -0.197 0.000 1.050 149 K CA 0.816 56.929 56.287 -0.290 0.000 0.938 149 K CB 0.052 32.260 32.500 -0.488 0.000 0.718 149 K HN 0.594 nan 8.250 nan 0.000 0.442 150 I N 0.758 121.249 120.570 -0.130 0.000 2.252 150 I HA -0.248 3.923 4.170 0.001 0.000 0.245 150 I C 2.486 178.502 176.117 -0.168 0.000 1.102 150 I CA 1.167 62.388 61.300 -0.131 0.000 1.385 150 I CB -0.093 37.846 38.000 -0.102 0.000 1.064 150 I HN 0.147 nan 8.210 nan 0.000 0.414 151 K N 0.181 120.433 120.400 -0.247 0.000 2.103 151 K HA -0.100 4.221 4.320 0.001 0.000 0.204 151 K C -0.166 176.064 176.600 -0.615 0.000 1.052 151 K CA 1.129 57.096 56.287 -0.533 0.000 0.945 151 K CB 0.257 32.266 32.500 -0.817 0.000 0.722 151 K HN 0.194 nan 8.250 nan 0.000 0.443 152 Y N -0.026 120.305 120.300 0.051 0.000 2.562 152 Y HA 0.260 4.810 4.550 0.001 0.000 0.363 152 Y C -2.141 173.875 175.900 0.193 0.000 0.991 152 Y CA -2.560 55.612 58.100 0.120 0.000 1.121 152 Y CB 1.214 39.764 38.460 0.148 0.000 1.159 152 Y HN 0.102 nan 8.280 nan 0.000 0.651 153 P HA -0.095 nan 4.420 nan 0.000 0.223 153 P C -0.207 177.062 177.300 -0.052 0.000 1.151 153 P CA 1.087 64.161 63.100 -0.044 0.000 0.787 153 P CB 0.255 31.810 31.700 -0.241 0.000 0.788 154 F N 0.363 120.519 119.950 0.344 0.000 2.411 154 F HA 0.387 4.914 4.527 0.001 0.000 0.352 154 F C 0.573 176.541 175.800 0.280 0.000 1.123 154 F CA -0.763 57.448 58.000 0.352 0.000 1.044 154 F CB 1.157 40.431 39.000 0.457 0.000 1.135 154 F HN -0.348 nan 8.300 nan 0.000 0.461 155 L N 5.887 127.334 121.223 0.374 0.000 2.377 155 L HA 0.538 4.879 4.340 0.001 0.000 0.270 155 L C -1.006 176.048 176.870 0.306 0.000 0.991 155 L CA -0.382 54.603 54.840 0.242 0.000 0.851 155 L CB 1.261 43.413 42.059 0.156 0.000 1.218 155 L HN 0.512 nan 8.230 nan 0.000 0.420 156 L N 1.962 123.144 121.223 -0.069 0.000 2.346 156 L HA 0.752 5.092 4.340 0.001 0.000 0.274 156 L C -0.011 176.273 176.870 -0.977 0.000 1.007 156 L CA -0.286 54.203 54.840 -0.585 0.000 0.818 156 L CB 2.092 43.767 42.059 -0.640 0.000 1.284 156 L HN 0.553 nan 8.230 nan 0.000 0.424 157 S N 0.723 115.315 115.700 -1.846 0.000 2.776 157 S HA 0.476 4.947 4.470 0.001 0.000 0.292 157 S C -1.052 172.922 174.600 -1.044 0.000 1.187 157 S CA -0.814 56.687 58.200 -1.165 0.000 0.834 157 S CB 1.447 64.261 63.200 -0.643 0.000 1.199 157 S HN 0.714 nan 8.310 nan 0.000 0.514 158 N N 0.949 119.305 118.700 -0.574 0.000 2.454 158 N HA 0.498 5.239 4.740 0.001 0.000 0.254 158 N C 0.699 176.178 175.510 -0.052 0.000 1.228 158 N CA 1.209 54.060 53.050 -0.332 0.000 0.900 158 N CB 0.444 38.770 38.487 -0.268 0.000 1.089 158 N HN 1.055 nan 8.380 nan 0.000 0.449 159 G N 1.268 110.091 108.800 0.037 0.000 2.513 159 G HA2 -0.232 3.728 3.960 0.001 0.000 0.227 159 G HA3 -0.232 3.728 3.960 0.001 0.000 0.227 159 G C -1.038 174.123 174.900 0.435 0.000 1.176 159 G CA -0.633 44.597 45.100 0.217 0.000 0.967 159 G HN 0.615 nan 8.290 nan 0.000 0.587 160 N N 0.688 119.633 118.700 0.408 0.000 2.319 160 N HA 0.512 5.253 4.740 0.001 0.000 0.305 160 N C -0.146 175.366 175.510 0.002 0.000 1.103 160 N CA -0.664 52.544 53.050 0.263 0.000 0.815 160 N CB 1.682 40.242 38.487 0.122 0.000 1.288 160 N HN 0.571 nan 8.380 nan 0.000 0.493 161 R N 0.779 120.998 120.500 -0.467 0.000 2.370 161 R HA 0.106 4.447 4.340 0.001 0.000 0.309 161 R C 1.182 177.288 176.300 -0.324 0.000 1.059 161 R CA -0.068 55.573 56.100 -0.765 0.000 0.981 161 R CB 0.467 30.293 30.300 -0.791 0.000 0.972 161 R HN 0.462 nan 8.270 nan 0.000 0.437 162 V N -0.563 119.209 119.914 -0.237 0.000 3.635 162 V HA 0.517 4.638 4.120 0.001 0.000 0.266 162 V C 0.343 176.397 176.094 -0.066 0.000 1.316 162 V CA 0.440 62.684 62.300 -0.093 0.000 1.060 162 V CB 0.452 32.269 31.823 -0.010 0.000 0.820 162 V HN 0.662 nan 8.190 nan 0.000 0.447 163 A N 0.806 123.566 122.820 -0.100 0.000 2.608 163 A HA 0.817 5.137 4.320 0.001 0.000 0.292 163 A C -1.369 176.030 177.584 -0.309 0.000 1.066 163 A CA -0.360 51.638 52.037 -0.066 0.000 0.676 163 A CB 1.622 20.768 19.000 0.243 0.000 1.277 163 A HN 0.680 nan 8.150 nan 0.000 0.413 164 Q N 0.387 119.792 119.800 -0.660 0.000 2.527 164 Q HA 0.693 5.033 4.340 0.001 0.000 0.280 164 Q C -0.465 174.721 176.000 -1.357 0.000 0.977 164 Q CA -0.635 54.535 55.803 -1.057 0.000 0.837 164 Q CB 1.756 30.167 28.738 -0.545 0.000 1.454 164 Q HN 1.991 nan 8.270 nan 0.000 0.387 165 G N 0.729 108.486 108.800 -1.740 0.000 2.623 165 G HA2 0.518 4.479 3.960 0.001 0.000 0.290 165 G HA3 0.518 4.479 3.960 0.001 0.000 0.290 165 G C -1.648 172.918 174.900 -0.556 0.000 1.437 165 G CA -0.636 43.856 45.100 -1.013 0.000 0.798 165 G HN 0.487 nan 8.290 nan 0.000 0.488 166 E N -0.421 119.714 120.200 -0.109 0.000 2.244 166 E HA 0.657 5.008 4.350 0.001 0.000 0.266 166 E C -0.719 175.988 176.600 0.178 0.000 0.914 166 E CA -0.622 55.814 56.400 0.060 0.000 0.794 166 E CB 2.707 32.422 29.700 0.024 0.000 1.210 166 E HN 0.301 nan 8.360 nan 0.000 0.414 167 L N 0.550 121.892 121.223 0.198 0.000 2.257 167 L HA 0.347 4.687 4.340 0.001 0.000 0.257 167 L C 0.482 177.422 176.870 0.116 0.000 1.033 167 L CA -1.038 53.911 54.840 0.181 0.000 0.835 167 L CB 1.423 43.613 42.059 0.218 0.000 1.398 167 L HN 0.591 nan 8.230 nan 0.000 0.429 168 E N -0.402 119.853 120.200 0.092 0.000 2.410 168 E HA 0.083 4.434 4.350 0.001 0.000 0.255 168 E C -0.540 176.099 176.600 0.066 0.000 1.194 168 E CA -0.494 55.945 56.400 0.065 0.000 0.955 168 E CB 0.173 29.904 29.700 0.052 0.000 0.988 168 E HN 0.586 nan 8.360 nan 0.000 0.461 169 N N 0.148 118.877 118.700 0.048 0.000 2.747 169 N HA -0.198 4.542 4.740 0.001 0.000 0.249 169 N C 0.610 176.150 175.510 0.050 0.000 1.107 169 N CA 1.279 54.356 53.050 0.045 0.000 0.707 169 N CB -1.664 36.852 38.487 0.048 0.000 1.054 169 N HN 1.042 nan 8.380 nan 0.000 0.555 170 G N -0.739 108.087 108.800 0.044 0.000 2.160 170 G HA2 -0.373 3.587 3.960 0.001 0.000 0.251 170 G HA3 -0.373 3.587 3.960 0.001 0.000 0.251 170 G C 0.181 175.120 174.900 0.064 0.000 1.008 170 G CA 0.831 45.950 45.100 0.031 0.000 0.724 170 G HN 0.609 nan 8.290 nan 0.000 0.514 171 R N -0.411 120.158 120.500 0.115 0.000 2.643 171 R HA 0.765 5.105 4.340 0.001 0.000 0.272 171 R C 0.541 177.010 176.300 0.282 0.000 0.995 171 R CA -0.215 56.006 56.100 0.202 0.000 1.032 171 R CB 0.972 31.390 30.300 0.197 0.000 1.126 171 R HN 0.789 nan 8.270 nan 0.000 0.505 172 H N -1.435 117.722 119.070 0.145 0.000 2.966 172 H HA 0.628 5.184 4.556 0.001 0.000 0.330 172 H C -1.511 173.967 175.328 0.249 0.000 1.292 172 H CA -1.219 54.905 56.048 0.126 0.000 1.127 172 H CB 1.737 31.503 29.762 0.007 0.000 1.863 172 H HN 0.683 nan 8.280 nan 0.000 0.543 173 W N 0.542 121.765 121.300 -0.128 0.000 3.167 173 W HA 0.649 5.310 4.660 0.001 0.000 0.324 173 W C -2.503 173.922 176.519 -0.155 0.000 1.230 173 W CA -1.202 56.047 57.345 -0.159 0.000 1.184 173 W CB 0.908 30.352 29.460 -0.028 0.000 1.414 173 W HN 0.527 nan 8.180 nan 0.000 0.551 174 V N 1.989 121.998 119.914 0.159 0.000 2.760 174 V HA 0.356 4.477 4.120 0.001 0.000 0.309 174 V C -0.614 175.639 176.094 0.264 0.000 1.077 174 V CA -0.681 61.631 62.300 0.021 0.000 0.910 174 V CB 1.786 33.589 31.823 -0.034 0.000 1.008 174 V HN 0.632 nan 8.190 nan 0.000 0.424 175 Q N 2.210 122.096 119.800 0.143 0.000 2.337 175 Q HA 0.526 4.866 4.340 0.001 0.000 0.266 175 Q C -2.039 173.925 176.000 -0.059 0.000 1.023 175 Q CA -0.562 55.368 55.803 0.212 0.000 0.829 175 Q CB 2.084 31.015 28.738 0.322 0.000 1.306 175 Q HN 0.717 nan 8.270 nan 0.000 0.449 176 W N 1.901 123.287 121.300 0.142 0.000 2.689 176 W HA 0.460 5.121 4.660 0.001 0.000 0.340 176 W C -0.475 176.114 176.519 0.116 0.000 1.060 176 W CA -0.476 56.932 57.345 0.105 0.000 1.218 176 W CB 1.871 31.378 29.460 0.079 0.000 1.410 176 W HN 0.522 nan 8.180 nan 0.000 0.528 177 Q N 2.019 122.009 119.800 0.316 0.000 2.347 177 Q HA 0.274 4.615 4.340 0.001 0.000 0.271 177 Q C -1.739 174.388 176.000 0.212 0.000 1.064 177 Q CA -0.631 55.310 55.803 0.229 0.000 0.800 177 Q CB 2.067 30.886 28.738 0.135 0.000 1.304 177 Q HN 0.368 nan 8.270 nan 0.000 0.438 178 D N 4.615 125.128 120.400 0.188 0.000 2.471 178 D HA 0.295 4.936 4.640 0.001 0.000 0.245 178 D C -1.883 174.475 176.300 0.097 0.000 1.116 178 D CA -2.145 51.943 54.000 0.146 0.000 0.853 178 D CB 1.852 42.726 40.800 0.123 0.000 1.123 178 D HN 0.354 nan 8.370 nan 0.000 0.540 179 P HA 0.014 nan 4.420 nan 0.000 0.229 179 P C 0.150 177.308 177.300 -0.238 0.000 1.160 179 P CA 0.137 63.140 63.100 -0.163 0.000 0.777 179 P CB 0.060 31.562 31.700 -0.330 0.000 0.814 180 F N 2.132 122.065 119.950 -0.028 0.000 2.421 180 F HA 0.327 4.854 4.527 0.001 0.000 0.358 180 F C -1.726 174.064 175.800 -0.017 0.000 1.115 180 F CA -2.584 55.384 58.000 -0.053 0.000 1.160 180 F CB -0.209 38.717 39.000 -0.124 0.000 1.123 180 F HN -0.197 nan 8.300 nan 0.000 0.508 181 P HA 0.049 nan 4.420 nan 0.000 0.264 181 P C -1.084 176.285 177.300 0.114 0.000 1.183 181 P CA -0.036 63.148 63.100 0.141 0.000 0.763 181 P CB 0.391 32.151 31.700 0.101 0.000 0.807 182 K N 3.039 123.513 120.400 0.124 0.000 2.508 182 K HA 0.640 4.960 4.320 0.001 0.000 0.260 182 K C -3.166 173.462 176.600 0.046 0.000 0.949 182 K CA -2.493 53.790 56.287 -0.008 0.000 0.834 182 K CB 1.913 34.304 32.500 -0.181 0.000 1.365 182 K HN 0.076 nan 8.250 nan 0.000 0.437 183 P HA 0.001 nan 4.420 nan 0.000 0.274 183 P C 0.997 178.249 177.300 -0.081 0.000 1.231 183 P CA -0.548 62.575 63.100 0.038 0.000 0.790 183 P CB 0.794 32.541 31.700 0.079 0.000 0.951 184 C N 0.625 119.969 119.300 0.073 0.000 2.437 184 C HA -0.102 4.358 4.460 0.001 0.000 0.283 184 C C 2.595 177.538 174.990 -0.078 0.000 1.424 184 C CA 0.296 59.177 59.018 -0.229 0.000 1.782 184 C CB -2.634 24.769 27.740 -0.562 0.000 1.833 184 C HN 0.640 nan 8.230 nan 0.000 0.532 185 Y N 1.036 121.418 120.300 0.136 0.000 2.483 185 Y HA 0.192 4.742 4.550 0.001 0.000 0.291 185 Y C 1.740 177.697 175.900 0.095 0.000 1.143 185 Y CA 0.798 59.026 58.100 0.213 0.000 1.289 185 Y CB -0.785 37.931 38.460 0.428 0.000 0.983 185 Y HN 0.287 nan 8.280 nan 0.000 0.556 186 L N -0.301 120.623 121.223 -0.498 0.000 2.607 186 L HA 0.160 4.500 4.340 0.001 0.000 0.228 186 L C 0.249 176.899 176.870 -0.366 0.000 1.123 186 L CA -0.479 54.079 54.840 -0.470 0.000 0.890 186 L CB -0.181 41.499 42.059 -0.633 0.000 1.103 186 L HN 0.185 nan 8.230 nan 0.000 0.468 187 F N 1.864 121.523 119.950 -0.485 0.000 2.529 187 F HA 0.428 4.955 4.527 0.001 0.000 0.365 187 F C 0.394 176.064 175.800 -0.216 0.000 1.102 187 F CA -0.670 57.047 58.000 -0.470 0.000 1.271 187 F CB 0.461 39.196 39.000 -0.442 0.000 1.120 187 F HN -0.096 nan 8.300 nan 0.000 0.579 188 A N 7.103 129.161 122.820 -1.269 0.000 2.515 188 A HA 0.740 5.060 4.320 0.001 0.000 0.298 188 A C -2.062 174.753 177.584 -1.282 0.000 1.059 188 A CA -0.766 50.669 52.037 -1.003 0.000 0.698 188 A CB 1.509 20.173 19.000 -0.559 0.000 1.289 188 A HN 0.990 nan 8.150 nan 0.000 0.404 189 L N 1.968 122.692 121.223 -0.832 0.000 2.431 189 L HA 0.841 5.182 4.340 0.001 0.000 0.266 189 L C -1.759 174.844 176.870 -0.445 0.000 0.978 189 L CA -0.649 53.803 54.840 -0.647 0.000 0.822 189 L CB 2.122 43.819 42.059 -0.602 0.000 1.310 189 L HN 0.537 nan 8.230 nan 0.000 0.409 190 V N 3.595 123.270 119.914 -0.398 0.000 2.709 190 V HA 0.893 5.014 4.120 0.001 0.000 0.308 190 V C -0.497 175.525 176.094 -0.119 0.000 1.062 190 V CA -0.315 61.833 62.300 -0.254 0.000 0.901 190 V CB 1.764 33.396 31.823 -0.317 0.000 1.003 190 V HN 0.875 nan 8.190 nan 0.000 0.425 191 A N 2.862 125.680 122.820 -0.004 0.000 2.374 191 A HA 1.047 5.368 4.320 0.001 0.000 0.305 191 A C -0.034 177.763 177.584 0.356 0.000 1.053 191 A CA 0.136 52.244 52.037 0.117 0.000 0.726 191 A CB 1.854 20.717 19.000 -0.228 0.000 1.229 191 A HN 1.705 nan 8.150 nan 0.000 0.431 192 G N 0.365 109.450 108.800 0.474 0.000 2.323 192 G HA2 0.457 4.418 3.960 0.001 0.000 0.291 192 G HA3 0.457 4.418 3.960 0.001 0.000 0.291 192 G C -2.274 172.575 174.900 -0.085 0.000 1.278 192 G CA -0.308 44.848 45.100 0.093 0.000 0.860 192 G HN 0.779 nan 8.290 nan 0.000 0.504 193 D N -0.458 119.641 120.400 -0.502 0.000 2.408 193 D HA 0.737 5.377 4.640 0.001 0.000 0.243 193 D C -1.137 174.871 176.300 -0.486 0.000 1.075 193 D CA -0.227 53.680 54.000 -0.155 0.000 0.832 193 D CB 0.960 41.709 40.800 -0.083 0.000 1.162 193 D HN 0.211 nan 8.370 nan 0.000 0.515 194 F N 0.977 121.041 119.950 0.190 0.000 2.599 194 F HA 0.329 4.856 4.527 0.001 0.000 0.311 194 F C 0.394 176.151 175.800 -0.072 0.000 1.076 194 F CA -1.070 56.919 58.000 -0.019 0.000 0.937 194 F CB 1.465 40.397 39.000 -0.114 0.000 1.282 194 F HN 0.068 nan 8.300 nan 0.000 0.460 195 D N 1.184 121.664 120.400 0.132 0.000 2.341 195 D HA 0.492 5.133 4.640 0.001 0.000 0.245 195 D C -0.786 175.437 176.300 -0.128 0.000 1.106 195 D CA 0.250 54.261 54.000 0.018 0.000 0.905 195 D CB 1.835 42.645 40.800 0.017 0.000 1.202 195 D HN 0.146 nan 8.370 nan 0.000 0.426 196 V N 2.884 122.668 119.914 -0.216 0.000 2.525 196 V HA 0.195 4.316 4.120 0.001 0.000 0.299 196 V C -0.360 175.569 176.094 -0.275 0.000 1.034 196 V CA -0.943 61.093 62.300 -0.440 0.000 0.863 196 V CB 1.813 33.234 31.823 -0.671 0.000 0.999 196 V HN 0.297 nan 8.190 nan 0.000 0.423 197 L N 6.371 127.433 121.223 -0.268 0.000 2.265 197 L HA 0.600 4.941 4.340 0.001 0.000 0.288 197 L C 0.110 176.872 176.870 -0.179 0.000 1.058 197 L CA 0.285 55.020 54.840 -0.174 0.000 0.809 197 L CB 0.609 42.587 42.059 -0.135 0.000 1.179 197 L HN 0.617 nan 8.230 nan 0.000 0.429 198 R N 3.961 124.390 120.500 -0.118 0.000 2.494 198 R HA 0.612 4.952 4.340 0.001 0.000 0.305 198 R C -1.147 175.124 176.300 -0.049 0.000 0.959 198 R CA -0.799 55.250 56.100 -0.085 0.000 0.864 198 R CB 1.752 32.017 30.300 -0.058 0.000 1.159 198 R HN 0.609 nan 8.270 nan 0.000 0.446 199 D N 0.124 120.504 120.400 -0.034 0.000 2.825 199 D HA 0.454 5.094 4.640 0.001 0.000 0.327 199 D C -1.224 175.084 176.300 0.014 0.000 1.277 199 D CA -0.252 53.739 54.000 -0.015 0.000 0.950 199 D CB 2.611 43.392 40.800 -0.031 0.000 1.438 199 D HN 0.380 nan 8.370 nan 0.000 0.526 200 T N 0.562 115.135 114.554 0.032 0.000 2.952 200 T HA 0.499 4.850 4.350 0.001 0.000 0.305 200 T C -1.321 173.447 174.700 0.113 0.000 1.064 200 T CA -0.464 61.675 62.100 0.065 0.000 1.008 200 T CB 1.002 69.893 68.868 0.039 0.000 1.078 200 T HN 0.250 nan 8.240 nan 0.000 0.459 201 F N 2.064 121.999 119.950 -0.024 0.000 2.507 201 F HA 0.590 5.117 4.527 0.001 0.000 0.325 201 F C -0.303 175.508 175.800 0.019 0.000 1.116 201 F CA -0.372 57.611 58.000 -0.028 0.000 0.930 201 F CB 1.715 40.666 39.000 -0.082 0.000 1.146 201 F HN 0.443 nan 8.300 nan 0.000 0.447 202 T N 4.244 118.459 114.554 -0.565 0.000 2.749 202 T HA 0.310 4.661 4.350 0.001 0.000 0.287 202 T C 0.145 174.529 174.700 -0.525 0.000 0.970 202 T CA -0.534 61.353 62.100 -0.355 0.000 0.980 202 T CB 0.772 69.499 68.868 -0.235 0.000 0.924 202 T HN 0.759 nan 8.240 nan 0.000 0.456 203 T N 0.941 115.457 114.554 -0.064 0.000 2.748 203 T HA 0.153 4.503 4.350 0.001 0.000 0.304 203 T C 1.536 176.250 174.700 0.025 0.000 1.041 203 T CA -0.638 61.540 62.100 0.130 0.000 1.033 203 T CB 0.745 69.780 68.868 0.278 0.000 0.995 203 T HN 0.631 nan 8.240 nan 0.000 0.536 204 R N 0.503 121.057 120.500 0.090 0.000 2.117 204 R HA -0.134 4.207 4.340 0.001 0.000 0.243 204 R C 2.221 178.541 176.300 0.034 0.000 1.143 204 R CA 2.001 58.129 56.100 0.047 0.000 0.968 204 R CB -0.664 29.677 30.300 0.068 0.000 0.863 204 R HN 0.822 nan 8.270 nan 0.000 0.444 205 S N -1.821 113.914 115.700 0.058 0.000 2.593 205 S HA 0.197 4.668 4.470 0.001 0.000 0.217 205 S C 1.114 175.738 174.600 0.040 0.000 0.966 205 S CA 0.261 58.490 58.200 0.048 0.000 0.914 205 S CB 0.870 64.108 63.200 0.062 0.000 0.776 205 S HN 0.615 nan 8.310 nan 0.000 0.523 206 G N 1.322 110.141 108.800 0.033 0.000 2.163 206 G HA2 -0.241 3.720 3.960 0.001 0.000 0.213 206 G HA3 -0.241 3.720 3.960 0.001 0.000 0.213 206 G C 0.019 174.943 174.900 0.039 0.000 0.991 206 G CA -0.213 44.898 45.100 0.018 0.000 0.653 206 G HN 0.655 nan 8.290 nan 0.000 0.518 207 R N 1.204 121.751 120.500 0.077 0.000 2.370 207 R HA 0.363 4.703 4.340 0.001 0.000 0.309 207 R C 0.217 176.586 176.300 0.116 0.000 1.059 207 R CA -0.093 56.072 56.100 0.109 0.000 0.981 207 R CB 0.262 30.654 30.300 0.153 0.000 0.972 207 R HN 0.435 nan 8.270 nan 0.000 0.437 208 E N 3.890 124.149 120.200 0.098 0.000 2.229 208 E HA 0.169 4.519 4.350 0.001 0.000 0.283 208 E C -1.231 175.465 176.600 0.160 0.000 1.030 208 E CA -0.603 55.855 56.400 0.096 0.000 0.836 208 E CB 1.111 30.848 29.700 0.062 0.000 1.068 208 E HN 0.304 nan 8.360 nan 0.000 0.401 209 V N 3.655 123.692 119.914 0.206 0.000 2.448 209 V HA 0.447 4.567 4.120 0.001 0.000 0.295 209 V C 0.029 176.240 176.094 0.195 0.000 1.025 209 V CA -0.873 61.587 62.300 0.266 0.000 0.859 209 V CB 1.341 33.392 31.823 0.380 0.000 0.988 209 V HN 0.826 nan 8.190 nan 0.000 0.431 210 A N 6.650 129.579 122.820 0.182 0.000 2.404 210 A HA 0.682 5.003 4.320 0.001 0.000 0.273 210 A C -0.343 177.320 177.584 0.131 0.000 1.144 210 A CA -0.172 51.947 52.037 0.135 0.000 0.806 210 A CB -0.101 18.979 19.000 0.133 0.000 1.080 210 A HN 0.820 nan 8.150 nan 0.000 0.509 211 L N 2.765 124.031 121.223 0.071 0.000 2.282 211 L HA 0.489 4.830 4.340 0.001 0.000 0.288 211 L C -0.033 176.833 176.870 -0.007 0.000 1.033 211 L CA -0.125 54.731 54.840 0.027 0.000 0.807 211 L CB 1.252 43.278 42.059 -0.054 0.000 1.209 211 L HN 0.721 nan 8.230 nan 0.000 0.423 212 E N 4.079 124.280 120.200 0.003 0.000 2.244 212 E HA 0.443 4.793 4.350 0.001 0.000 0.260 212 E C -1.476 175.038 176.600 -0.144 0.000 0.884 212 E CA -0.730 55.608 56.400 -0.104 0.000 0.777 212 E CB 2.528 32.214 29.700 -0.024 0.000 1.197 212 E HN 0.276 nan 8.360 nan 0.000 0.416 213 L N 3.528 124.588 121.223 -0.271 0.000 2.280 213 L HA 0.347 4.687 4.340 0.001 0.000 0.287 213 L C -1.155 175.492 176.870 -0.371 0.000 1.023 213 L CA -0.399 54.296 54.840 -0.243 0.000 0.819 213 L CB 0.214 42.143 42.059 -0.216 0.000 1.212 213 L HN 0.494 nan 8.230 nan 0.000 0.420 214 Y N 3.558 123.662 120.300 -0.328 0.000 2.341 214 Y HA 0.604 5.155 4.550 0.001 0.000 0.340 214 Y C 0.362 176.071 175.900 -0.317 0.000 0.997 214 Y CA -0.733 57.100 58.100 -0.445 0.000 1.149 214 Y CB 1.460 39.403 38.460 -0.862 0.000 1.171 214 Y HN 0.392 nan 8.280 nan 0.000 0.494 215 V N -0.858 119.057 119.914 0.002 0.000 3.040 215 V HA 0.541 4.662 4.120 0.001 0.000 0.312 215 V C -0.599 175.655 176.094 0.266 0.000 1.115 215 V CA -1.322 61.038 62.300 0.099 0.000 0.998 215 V CB 1.950 33.781 31.823 0.013 0.000 1.042 215 V HN 0.481 nan 8.190 nan 0.000 0.433 216 D N 2.125 122.662 120.400 0.229 0.000 2.472 216 D HA 0.143 4.783 4.640 0.001 0.000 0.237 216 D C 0.438 176.797 176.300 0.099 0.000 1.141 216 D CA 0.243 54.343 54.000 0.167 0.000 0.875 216 D CB 0.384 41.250 40.800 0.110 0.000 1.192 216 D HN 0.435 nan 8.370 nan 0.000 0.450 217 R N 1.097 121.634 120.500 0.061 0.000 2.494 217 R HA 0.205 4.545 4.340 0.001 0.000 0.291 217 R C 1.320 177.640 176.300 0.033 0.000 0.953 217 R CA 0.827 56.953 56.100 0.043 0.000 1.098 217 R CB -0.418 29.896 30.300 0.023 0.000 0.911 217 R HN 0.810 nan 8.270 nan 0.000 0.407 218 G N 2.691 111.508 108.800 0.028 0.000 2.194 218 G HA2 -0.300 3.661 3.960 0.001 0.000 0.236 218 G HA3 -0.300 3.661 3.960 0.001 0.000 0.236 218 G C 0.588 175.499 174.900 0.018 0.000 0.987 218 G CA 0.242 45.354 45.100 0.019 0.000 0.635 218 G HN 0.668 nan 8.290 nan 0.000 0.520 219 N N -0.122 118.591 118.700 0.022 0.000 2.230 219 N HA 0.358 5.099 4.740 0.001 0.000 0.202 219 N C 2.024 177.536 175.510 0.003 0.000 1.119 219 N CA -0.241 52.818 53.050 0.015 0.000 0.851 219 N CB 0.136 38.636 38.487 0.021 0.000 0.990 219 N HN 0.364 nan 8.380 nan 0.000 0.497 220 L N 1.247 122.470 121.223 0.001 0.000 2.127 220 L HA -0.214 4.127 4.340 0.001 0.000 0.211 220 L C 1.960 178.829 176.870 -0.002 0.000 1.089 220 L CA 1.078 55.911 54.840 -0.011 0.000 0.757 220 L CB -0.432 41.619 42.059 -0.012 0.000 0.899 220 L HN 0.362 nan 8.230 nan 0.000 0.434 221 D N 0.028 120.432 120.400 0.008 0.000 2.351 221 D HA -0.228 4.413 4.640 0.001 0.000 0.216 221 D C 1.675 177.989 176.300 0.024 0.000 0.968 221 D CA 1.102 55.112 54.000 0.018 0.000 0.899 221 D CB -0.194 40.617 40.800 0.019 0.000 0.907 221 D HN 0.328 nan 8.370 nan 0.000 0.514 222 R N -0.522 119.985 120.500 0.012 0.000 2.509 222 R HA 0.449 4.790 4.340 0.001 0.000 0.300 222 R C 1.297 177.602 176.300 0.009 0.000 0.985 222 R CA 0.399 56.503 56.100 0.008 0.000 1.092 222 R CB 0.798 31.089 30.300 -0.016 0.000 1.237 222 R HN 0.191 nan 8.270 nan 0.000 0.546 223 A N 1.560 124.382 122.820 0.003 0.000 2.014 223 A HA 0.171 4.492 4.320 0.001 0.000 0.210 223 A C -0.878 176.703 177.584 -0.006 0.000 1.188 223 A CA 0.164 52.186 52.037 -0.025 0.000 0.731 223 A CB -0.423 18.541 19.000 -0.061 0.000 0.858 223 A HN 0.025 nan 8.150 nan 0.000 0.464 224 P HA -0.208 nan 4.420 nan 0.000 0.216 224 P C 1.521 178.890 177.300 0.116 0.000 1.150 224 P CA 1.102 64.238 63.100 0.059 0.000 0.837 224 P CB -0.229 31.525 31.700 0.089 0.000 0.786 225 W N 0.726 122.036 121.300 0.015 0.000 2.358 225 W HA -0.169 4.491 4.660 0.001 0.000 0.303 225 W C 1.949 178.463 176.519 -0.008 0.000 1.208 225 W CA 1.410 58.786 57.345 0.053 0.000 1.274 225 W CB -0.487 29.062 29.460 0.148 0.000 1.138 225 W HN -0.080 nan 8.180 nan 0.000 0.515 226 A N 0.919 123.619 122.820 -0.201 0.000 1.902 226 A HA -0.279 4.041 4.320 0.001 0.000 0.217 226 A C 1.872 179.228 177.584 -0.381 0.000 1.181 226 A CA 2.199 54.027 52.037 -0.349 0.000 0.623 226 A CB -1.023 17.831 19.000 -0.242 0.000 0.818 226 A HN 0.387 nan 8.150 nan 0.000 0.443 227 M N 0.049 119.489 119.600 -0.267 0.000 2.086 227 M HA -0.104 4.377 4.480 0.001 0.000 0.261 227 M C 2.005 178.144 176.300 -0.269 0.000 1.067 227 M CA 2.540 57.694 55.300 -0.244 0.000 1.116 227 M CB -1.079 31.430 32.600 -0.152 0.000 1.348 227 M HN 0.360 nan 8.290 nan 0.000 0.407 228 T N -0.155 114.245 114.554 -0.258 0.000 2.720 228 T HA -0.114 4.236 4.350 0.001 0.000 0.268 228 T C 1.914 176.375 174.700 -0.400 0.000 1.037 228 T CA 1.852 63.797 62.100 -0.257 0.000 1.144 228 T CB -0.451 68.317 68.868 -0.166 0.000 0.864 228 T HN 0.446 nan 8.240 nan 0.000 0.444 229 S N 1.147 116.458 115.700 -0.649 0.000 2.383 229 S HA -0.016 4.454 4.470 0.001 0.000 0.227 229 S C 1.914 176.275 174.600 -0.399 0.000 1.026 229 S CA 0.552 58.412 58.200 -0.567 0.000 0.981 229 S CB -0.455 62.309 63.200 -0.726 0.000 0.818 229 S HN 0.269 nan 8.310 nan 0.000 0.472 230 L N 2.130 123.071 121.223 -0.470 0.000 1.989 230 L HA -0.096 4.244 4.340 0.001 0.000 0.211 230 L C 1.965 178.436 176.870 -0.665 0.000 1.071 230 L CA 1.877 56.357 54.840 -0.600 0.000 0.749 230 L CB -0.590 41.112 42.059 -0.596 0.000 0.890 230 L HN 0.115 nan 8.230 nan 0.000 0.431 231 K N -0.614 119.506 120.400 -0.467 0.000 2.057 231 K HA -0.159 4.162 4.320 0.001 0.000 0.207 231 K C 1.922 178.341 176.600 -0.301 0.000 1.049 231 K CA 1.432 57.483 56.287 -0.393 0.000 0.931 231 K CB -0.352 32.107 32.500 -0.069 0.000 0.714 231 K HN 0.378 nan 8.250 nan 0.000 0.440 232 N N 0.737 119.343 118.700 -0.157 0.000 2.104 232 N HA -0.155 4.586 4.740 0.001 0.000 0.190 232 N C 1.922 177.491 175.510 0.099 0.000 1.024 232 N CA 1.860 54.947 53.050 0.063 0.000 0.853 232 N CB -0.402 38.171 38.487 0.143 0.000 1.008 232 N HN 0.242 nan 8.380 nan 0.000 0.424 233 S N 0.132 115.674 115.700 -0.263 0.000 2.387 233 S HA -0.022 4.449 4.470 0.001 0.000 0.226 233 S C 2.046 176.404 174.600 -0.403 0.000 1.026 233 S CA 0.649 58.490 58.200 -0.599 0.000 0.972 233 S CB -0.267 62.323 63.200 -1.017 0.000 0.814 233 S HN 0.189 nan 8.310 nan 0.000 0.477 234 M N 1.063 120.133 119.600 -0.884 0.000 2.086 234 M HA -0.030 4.451 4.480 0.001 0.000 0.261 234 M C 2.495 178.617 176.300 -0.296 0.000 1.067 234 M CA 1.843 56.567 55.300 -0.960 0.000 1.116 234 M CB -0.379 31.145 32.600 -1.792 0.000 1.348 234 M HN 0.262 nan 8.290 nan 0.000 0.407 235 K N -0.211 120.109 120.400 -0.135 0.000 2.057 235 K HA -0.210 4.110 4.320 0.001 0.000 0.207 235 K C 1.646 178.410 176.600 0.273 0.000 1.049 235 K CA 1.600 58.042 56.287 0.259 0.000 0.931 235 K CB -0.441 32.255 32.500 0.327 0.000 0.714 235 K HN 0.452 nan 8.250 nan 0.000 0.440 236 W N 1.215 122.599 121.300 0.140 0.000 2.381 236 W HA -0.124 4.536 4.660 0.001 0.000 0.301 236 W C 1.594 178.218 176.519 0.174 0.000 1.205 236 W CA 1.673 59.140 57.345 0.204 0.000 1.285 236 W CB -0.356 29.329 29.460 0.376 0.000 1.133 236 W HN 0.148 nan 8.180 nan 0.000 0.521 237 D N 0.253 120.833 120.400 0.301 0.000 2.144 237 D HA -0.198 4.443 4.640 0.001 0.000 0.199 237 D C 1.888 178.188 176.300 -0.000 0.000 0.984 237 D CA 1.632 55.679 54.000 0.080 0.000 0.834 237 D CB -0.189 40.880 40.800 0.449 0.000 0.955 237 D HN 0.376 nan 8.370 nan 0.000 0.465 238 E N 0.177 120.429 120.200 0.087 0.000 2.031 238 E HA -0.171 4.180 4.350 0.001 0.000 0.193 238 E C 2.118 178.700 176.600 -0.030 0.000 0.994 238 E CA 0.921 57.360 56.400 0.064 0.000 0.800 238 E CB -0.045 29.747 29.700 0.154 0.000 0.752 238 E HN 0.436 nan 8.360 nan 0.000 0.447 239 E N 0.266 120.430 120.200 -0.060 0.000 2.047 239 E HA -0.192 4.158 4.350 0.001 0.000 0.191 239 E C 2.222 178.683 176.600 -0.231 0.000 0.987 239 E CA 0.903 57.242 56.400 -0.102 0.000 0.799 239 E CB -0.003 29.671 29.700 -0.043 0.000 0.752 239 E HN -0.054 nan 8.360 nan 0.000 0.449 240 R N -0.036 120.178 120.500 -0.478 0.000 2.066 240 R HA 0.003 4.344 4.340 0.001 0.000 0.224 240 R C 1.404 177.388 176.300 -0.526 0.000 1.122 240 R CA 1.274 57.015 56.100 -0.598 0.000 0.974 240 R CB -0.111 29.495 30.300 -1.157 0.000 0.871 240 R HN 0.099 nan 8.270 nan 0.000 0.435 241 F N -1.023 118.665 119.950 -0.438 0.000 2.704 241 F HA 0.340 4.868 4.527 0.001 0.000 0.304 241 F C 1.209 176.902 175.800 -0.178 0.000 1.094 241 F CA 0.373 58.234 58.000 -0.231 0.000 1.275 241 F CB 1.086 39.961 39.000 -0.209 0.000 1.073 241 F HN 0.289 nan 8.300 nan 0.000 0.586 242 G N 1.792 110.560 108.800 -0.053 0.000 2.198 242 G HA2 -0.300 3.661 3.960 0.001 0.000 0.260 242 G HA3 -0.300 3.661 3.960 0.001 0.000 0.260 242 G C -0.163 174.662 174.900 -0.124 0.000 1.025 242 G CA -0.065 44.994 45.100 -0.069 0.000 0.769 242 G HN 0.279 nan 8.290 nan 0.000 0.507 243 L N -0.075 121.072 121.223 -0.126 0.000 2.307 243 L HA 0.608 4.949 4.340 0.001 0.000 0.284 243 L C 0.392 177.295 176.870 0.056 0.000 1.023 243 L CA -0.758 53.911 54.840 -0.285 0.000 0.810 243 L CB 1.544 43.288 42.059 -0.525 0.000 1.231 243 L HN 0.168 nan 8.230 nan 0.000 0.423 244 E N 1.260 121.566 120.200 0.176 0.000 2.221 244 E HA 0.264 4.615 4.350 0.001 0.000 0.268 244 E C -1.326 175.617 176.600 0.571 0.000 0.933 244 E CA -0.937 55.686 56.400 0.372 0.000 0.809 244 E CB 2.379 32.250 29.700 0.286 0.000 1.190 244 E HN 0.305 nan 8.360 nan 0.000 0.406 245 Y N 2.556 123.105 120.300 0.414 0.000 2.578 245 Y HA -0.064 4.487 4.550 0.001 0.000 0.339 245 Y C 0.813 176.861 175.900 0.247 0.000 1.231 245 Y CA 0.328 58.631 58.100 0.339 0.000 1.461 245 Y CB 0.571 39.257 38.460 0.377 0.000 1.323 245 Y HN 0.527 nan 8.280 nan 0.000 0.590 246 D N 2.738 122.812 120.400 -0.544 0.000 2.469 246 D HA 0.140 4.781 4.640 0.001 0.000 0.213 246 D C -0.295 175.817 176.300 -0.312 0.000 1.135 246 D CA 0.265 54.072 54.000 -0.322 0.000 0.834 246 D CB -0.123 40.436 40.800 -0.401 0.000 1.009 246 D HN 0.410 nan 8.370 nan 0.000 0.507 247 L N -0.121 120.663 121.223 -0.732 0.000 2.230 247 L HA 0.386 4.726 4.340 0.001 0.000 0.255 247 L C 0.542 177.447 176.870 0.058 0.000 1.039 247 L CA -0.855 53.833 54.840 -0.254 0.000 0.846 247 L CB 2.056 43.995 42.059 -0.199 0.000 1.419 247 L HN -0.284 nan 8.230 nan 0.000 0.435 248 D N 0.141 120.651 120.400 0.182 0.000 2.355 248 D HA 0.150 4.791 4.640 0.001 0.000 0.206 248 D C -0.191 176.285 176.300 0.295 0.000 1.010 248 D CA 0.923 55.057 54.000 0.223 0.000 0.875 248 D CB 1.619 42.511 40.800 0.154 0.000 0.966 248 D HN 0.115 nan 8.370 nan 0.000 0.512 249 I N -0.416 120.369 120.570 0.359 0.000 2.569 249 I HA 0.279 4.449 4.170 0.001 0.000 0.290 249 I C -2.074 174.258 176.117 0.358 0.000 1.088 249 I CA -1.068 60.425 61.300 0.321 0.000 1.047 249 I CB 2.243 40.405 38.000 0.270 0.000 1.237 249 I HN -0.249 nan 8.210 nan 0.000 0.421 250 Y N 7.875 128.243 120.300 0.115 0.000 2.345 250 Y HA 0.688 5.239 4.550 0.001 0.000 0.331 250 Y C -0.921 174.957 175.900 -0.037 0.000 0.959 250 Y CA -0.683 57.391 58.100 -0.044 0.000 1.204 250 Y CB 1.325 39.585 38.460 -0.333 0.000 1.135 250 Y HN 0.529 nan 8.280 nan 0.000 0.477 251 M N 6.885 126.439 119.600 -0.078 0.000 2.404 251 M HA 0.530 5.011 4.480 0.001 0.000 0.338 251 M C -1.178 175.080 176.300 -0.069 0.000 1.150 251 M CA -0.444 54.855 55.300 -0.000 0.000 1.016 251 M CB 1.858 34.415 32.600 -0.072 0.000 1.672 251 M HN 0.469 nan 8.290 nan 0.000 0.448 252 I N 2.421 122.982 120.570 -0.015 0.000 2.498 252 I HA 0.497 4.668 4.170 0.001 0.000 0.290 252 I C -1.042 174.997 176.117 -0.130 0.000 1.032 252 I CA -1.000 60.229 61.300 -0.118 0.000 1.073 252 I CB 2.241 40.070 38.000 -0.285 0.000 1.251 252 I HN 0.326 nan 8.210 nan 0.000 0.426 253 V N 5.043 124.847 119.914 -0.184 0.000 2.448 253 V HA 0.573 4.694 4.120 0.001 0.000 0.295 253 V C 0.259 176.258 176.094 -0.158 0.000 1.025 253 V CA -0.664 61.484 62.300 -0.252 0.000 0.859 253 V CB 1.657 33.229 31.823 -0.418 0.000 0.988 253 V HN 0.813 nan 8.190 nan 0.000 0.431 254 A N 5.269 128.017 122.820 -0.121 0.000 2.269 254 A HA 0.738 5.059 4.320 0.001 0.000 0.302 254 A C -0.182 177.411 177.584 0.014 0.000 1.266 254 A CA -0.373 51.638 52.037 -0.044 0.000 0.894 254 A CB 0.590 19.570 19.000 -0.034 0.000 1.147 254 A HN 1.295 nan 8.150 nan 0.000 0.537 255 V N 0.275 120.193 119.914 0.006 0.000 2.715 255 V HA 0.545 4.665 4.120 0.001 0.000 0.310 255 V C 0.016 176.183 176.094 0.121 0.000 1.054 255 V CA -0.647 61.718 62.300 0.108 0.000 0.928 255 V CB 1.889 33.798 31.823 0.143 0.000 1.007 255 V HN 0.652 nan 8.190 nan 0.000 0.437 256 D N 1.744 122.250 120.400 0.176 0.000 2.249 256 D HA 0.159 4.800 4.640 0.001 0.000 0.205 256 D C 0.034 176.245 176.300 -0.149 0.000 0.962 256 D CA 1.440 55.436 54.000 -0.006 0.000 0.860 256 D CB 0.009 40.769 40.800 -0.067 0.000 0.955 256 D HN 0.603 nan 8.370 nan 0.000 0.505 257 F N 0.330 120.403 119.950 0.205 0.000 2.347 257 F HA 0.397 4.924 4.527 0.001 0.000 0.366 257 F C -0.472 175.571 175.800 0.404 0.000 1.107 257 F CA -0.903 57.239 58.000 0.237 0.000 1.058 257 F CB 0.863 40.006 39.000 0.238 0.000 1.236 257 F HN -0.337 nan 8.300 nan 0.000 0.456 258 F N 3.028 123.076 119.950 0.162 0.000 2.639 258 F HA 0.310 4.837 4.527 0.001 0.000 0.326 258 F C 0.245 176.049 175.800 0.006 0.000 1.150 258 F CA -0.861 57.212 58.000 0.121 0.000 1.057 258 F CB 1.247 40.322 39.000 0.125 0.000 1.300 258 F HN 0.204 nan 8.300 nan 0.000 0.486 259 N N 3.510 121.948 118.700 -0.437 0.000 2.300 259 N HA 0.040 4.780 4.740 0.001 0.000 0.179 259 N C 0.543 175.904 175.510 -0.249 0.000 1.016 259 N CA 1.102 53.958 53.050 -0.323 0.000 0.876 259 N CB 0.151 38.405 38.487 -0.388 0.000 0.979 259 N HN 0.433 nan 8.380 nan 0.000 0.432 260 M N -1.338 118.036 119.600 -0.377 0.000 2.686 260 M HA 0.307 4.787 4.480 0.001 0.000 0.262 260 M C 1.788 178.266 176.300 0.297 0.000 1.139 260 M CA -0.380 54.865 55.300 -0.091 0.000 0.928 260 M CB -0.065 32.436 32.600 -0.165 0.000 1.482 260 M HN -0.027 nan 8.290 nan 0.000 0.545 261 G N 0.006 108.963 108.800 0.262 0.000 2.404 261 G HA2 0.361 4.322 3.960 0.001 0.000 0.213 261 G HA3 0.361 4.322 3.960 0.001 0.000 0.213 261 G C 0.157 175.194 174.900 0.230 0.000 1.189 261 G CA 0.874 46.193 45.100 0.366 0.000 0.796 261 G HN 0.829 nan 8.290 nan 0.000 0.532 262 A N -1.951 120.900 122.820 0.050 0.000 2.566 262 A HA 0.714 5.035 4.320 0.001 0.000 0.290 262 A C -1.758 175.786 177.584 -0.067 0.000 1.071 262 A CA -0.478 51.335 52.037 -0.373 0.000 0.658 262 A CB 1.442 19.588 19.000 -1.423 0.000 1.285 262 A HN 0.461 nan 8.150 nan 0.000 0.427 263 M N 1.259 120.792 119.600 -0.111 0.000 2.271 263 M HA 0.404 4.885 4.480 0.001 0.000 0.285 263 M C 0.040 176.372 176.300 0.054 0.000 1.059 263 M CA -0.354 55.005 55.300 0.097 0.000 0.940 263 M CB 1.956 34.720 32.600 0.274 0.000 1.636 263 M HN 0.746 nan 8.290 nan 0.000 0.460 264 E N 2.670 122.917 120.200 0.078 0.000 2.301 264 E HA 0.040 4.391 4.350 0.001 0.000 0.195 264 E C -0.936 175.639 176.600 -0.042 0.000 1.171 264 E CA -0.053 56.384 56.400 0.062 0.000 1.142 264 E CB -0.826 28.926 29.700 0.086 0.000 1.218 264 E HN 0.681 nan 8.360 nan 0.000 0.448 265 N N 2.335 120.990 118.700 -0.075 0.000 2.357 265 N HA -0.090 4.650 4.740 0.001 0.000 0.257 265 N C 0.068 175.435 175.510 -0.239 0.000 1.250 265 N CA 0.373 53.313 53.050 -0.183 0.000 0.862 265 N CB 0.500 38.854 38.487 -0.222 0.000 1.066 265 N HN 0.131 nan 8.380 nan 0.000 0.468 266 K N 1.376 121.613 120.400 -0.271 0.000 2.430 266 K HA 0.046 4.367 4.320 0.001 0.000 0.280 266 K C 1.141 177.585 176.600 -0.259 0.000 1.063 266 K CA 0.894 57.029 56.287 -0.254 0.000 1.071 266 K CB -0.618 31.733 32.500 -0.248 0.000 0.899 266 K HN 0.722 nan 8.250 nan 0.000 0.473 267 G N 3.146 111.774 108.800 -0.286 0.000 2.189 267 G HA2 -0.270 3.691 3.960 0.001 0.000 0.267 267 G HA3 -0.270 3.691 3.960 0.001 0.000 0.267 267 G C -0.177 174.477 174.900 -0.409 0.000 0.975 267 G CA 0.529 45.445 45.100 -0.306 0.000 0.644 267 G HN 0.645 nan 8.290 nan 0.000 0.537 268 L N 1.091 122.067 121.223 -0.410 0.000 2.448 268 L HA 0.436 4.776 4.340 0.001 0.000 0.257 268 L C -0.113 176.583 176.870 -0.290 0.000 1.504 268 L CA -1.068 53.540 54.840 -0.386 0.000 0.852 268 L CB -0.213 41.563 42.059 -0.471 0.000 1.051 268 L HN 0.254 nan 8.230 nan 0.000 0.518 269 N N 3.142 121.717 118.700 -0.208 0.000 2.492 269 N HA 0.404 5.145 4.740 0.001 0.000 0.260 269 N C -0.718 174.815 175.510 0.038 0.000 1.215 269 N CA 0.006 53.065 53.050 0.015 0.000 0.923 269 N CB 1.090 39.776 38.487 0.332 0.000 1.092 269 N HN 0.401 nan 8.380 nan 0.000 0.448 270 I N 2.578 123.165 120.570 0.028 0.000 2.406 270 I HA 0.340 4.510 4.170 0.001 0.000 0.290 270 I C -0.954 175.012 176.117 -0.252 0.000 0.999 270 I CA -0.529 60.718 61.300 -0.090 0.000 1.124 270 I CB 0.891 38.817 38.000 -0.123 0.000 1.289 270 I HN 0.303 nan 8.210 nan 0.000 0.441 271 F N 4.328 123.968 119.950 -0.518 0.000 2.520 271 F HA 0.347 4.874 4.527 0.001 0.000 0.322 271 F C 0.582 176.048 175.800 -0.556 0.000 1.103 271 F CA -0.900 56.820 58.000 -0.467 0.000 0.926 271 F CB 1.352 40.246 39.000 -0.178 0.000 1.154 271 F HN 0.397 nan 8.300 nan 0.000 0.453 272 N N 1.430 119.920 118.700 -0.349 0.000 2.412 272 N HA -0.073 4.667 4.740 0.001 0.000 0.258 272 N C 0.893 176.416 175.510 0.022 0.000 1.236 272 N CA 0.510 53.525 53.050 -0.058 0.000 0.882 272 N CB 1.120 39.685 38.487 0.130 0.000 1.066 272 N HN 0.631 nan 8.380 nan 0.000 0.465 273 S N 3.549 119.244 115.700 -0.008 0.000 2.420 273 S HA -0.237 4.233 4.470 0.001 0.000 0.237 273 S C 1.663 176.231 174.600 -0.052 0.000 1.023 273 S CA 1.510 59.702 58.200 -0.013 0.000 0.991 273 S CB -0.139 63.048 63.200 -0.022 0.000 0.792 273 S HN 0.813 nan 8.310 nan 0.000 0.488 274 K N 0.345 120.657 120.400 -0.146 0.000 2.211 274 K HA -0.159 4.162 4.320 0.001 0.000 0.204 274 K C 0.600 177.013 176.600 -0.311 0.000 1.047 274 K CA 1.511 57.617 56.287 -0.302 0.000 0.935 274 K CB -0.391 31.809 32.500 -0.500 0.000 0.728 274 K HN 0.387 nan 8.250 nan 0.000 0.452 275 Y N 0.493 120.846 120.300 0.088 0.000 2.625 275 Y HA 0.210 4.760 4.550 0.001 0.000 0.285 275 Y C 1.206 177.214 175.900 0.180 0.000 1.168 275 Y CA -0.558 57.638 58.100 0.159 0.000 1.250 275 Y CB 0.860 39.441 38.460 0.202 0.000 1.130 275 Y HN -0.108 nan 8.280 nan 0.000 0.526 276 V N -1.694 118.313 119.914 0.156 0.000 3.102 276 V HA 0.113 4.234 4.120 0.001 0.000 0.225 276 V C 0.467 176.553 176.094 -0.012 0.000 1.301 276 V CA -0.100 62.210 62.300 0.016 0.000 1.308 276 V CB 0.378 32.160 31.823 -0.068 0.000 1.129 276 V HN -0.067 nan 8.190 nan 0.000 0.502 277 L N 1.893 123.097 121.223 -0.032 0.000 2.313 277 L HA 0.709 5.050 4.340 0.001 0.000 0.282 277 L C -0.161 176.645 176.870 -0.107 0.000 1.092 277 L CA 0.122 54.928 54.840 -0.056 0.000 0.831 277 L CB 0.780 42.806 42.059 -0.055 0.000 1.159 277 L HN 0.318 nan 8.230 nan 0.000 0.442 278 A N 4.770 127.520 122.820 -0.117 0.000 2.517 278 A HA 0.842 5.163 4.320 0.001 0.000 0.297 278 A C -0.937 176.575 177.584 -0.121 0.000 1.050 278 A CA -0.649 51.230 52.037 -0.264 0.000 0.694 278 A CB 1.993 20.600 19.000 -0.655 0.000 1.277 278 A HN 0.745 nan 8.150 nan 0.000 0.400 279 R N 0.051 120.499 120.500 -0.086 0.000 2.739 279 R HA 0.519 4.860 4.340 0.001 0.000 0.271 279 R C 1.259 177.607 176.300 0.081 0.000 1.010 279 R CA 0.188 56.319 56.100 0.052 0.000 0.897 279 R CB 1.727 32.038 30.300 0.019 0.000 1.236 279 R HN 0.930 nan 8.270 nan 0.000 0.466 280 T N -2.221 112.397 114.554 0.107 0.000 2.929 280 T HA -0.148 4.202 4.350 0.001 0.000 0.271 280 T C 1.034 175.643 174.700 -0.152 0.000 1.085 280 T CA 1.635 63.725 62.100 -0.017 0.000 1.125 280 T CB -0.190 68.613 68.868 -0.107 0.000 0.874 280 T HN 0.711 nan 8.240 nan 0.000 0.494 281 D N 1.425 121.778 120.400 -0.078 0.000 2.350 281 D HA -0.020 4.620 4.640 0.001 0.000 0.213 281 D C 1.828 178.010 176.300 -0.197 0.000 1.031 281 D CA 1.058 55.023 54.000 -0.058 0.000 0.861 281 D CB -0.460 40.401 40.800 0.102 0.000 0.926 281 D HN 0.633 nan 8.370 nan 0.000 0.520 282 T N -3.366 111.036 114.554 -0.253 0.000 2.969 282 T HA 0.537 4.887 4.350 0.001 0.000 0.250 282 T C 0.794 175.294 174.700 -0.332 0.000 1.021 282 T CA 0.131 61.953 62.100 -0.464 0.000 1.003 282 T CB 0.366 69.013 68.868 -0.368 0.000 1.040 282 T HN 0.222 nan 8.240 nan 0.000 0.492 283 A N 2.039 124.736 122.820 -0.204 0.000 2.365 283 A HA 0.740 5.061 4.320 0.001 0.000 0.318 283 A C 0.333 177.908 177.584 -0.015 0.000 1.091 283 A CA -0.618 51.319 52.037 -0.166 0.000 0.763 283 A CB 1.356 20.142 19.000 -0.357 0.000 1.248 283 A HN 0.478 nan 8.150 nan 0.000 0.442 284 T N -1.022 113.539 114.554 0.012 0.000 2.862 284 T HA 0.330 4.680 4.350 0.001 0.000 0.276 284 T C 0.308 175.138 174.700 0.217 0.000 0.974 284 T CA -0.154 61.995 62.100 0.082 0.000 0.966 284 T CB 0.639 69.531 68.868 0.040 0.000 1.072 284 T HN 0.455 nan 8.240 nan 0.000 0.538 285 D N 0.002 120.501 120.400 0.166 0.000 2.133 285 D HA -0.137 4.503 4.640 0.001 0.000 0.195 285 D C 1.875 178.248 176.300 0.122 0.000 0.997 285 D CA 1.396 55.466 54.000 0.115 0.000 0.840 285 D CB -0.182 40.636 40.800 0.031 0.000 0.947 285 D HN 0.710 nan 8.370 nan 0.000 0.452 286 K N 0.633 121.088 120.400 0.092 0.000 2.063 286 K HA -0.175 4.146 4.320 0.001 0.000 0.208 286 K C 1.437 178.104 176.600 0.111 0.000 1.048 286 K CA 1.475 57.814 56.287 0.086 0.000 0.928 286 K CB 0.094 32.630 32.500 0.059 0.000 0.713 286 K HN -0.027 nan 8.250 nan 0.000 0.442 287 D N -0.056 120.394 120.400 0.084 0.000 2.104 287 D HA -0.188 4.452 4.640 0.001 0.000 0.194 287 D C 1.924 178.268 176.300 0.072 0.000 0.994 287 D CA 1.367 55.392 54.000 0.042 0.000 0.830 287 D CB -0.554 40.200 40.800 -0.077 0.000 0.959 287 D HN 0.296 nan 8.370 nan 0.000 0.452 288 Y N 1.020 121.323 120.300 0.004 0.000 2.114 288 Y HA -0.156 4.394 4.550 0.001 0.000 0.282 288 Y C 2.587 178.654 175.900 0.278 0.000 1.165 288 Y CA 0.946 59.019 58.100 -0.045 0.000 1.148 288 Y CB -0.411 37.748 38.460 -0.502 0.000 0.972 288 Y HN -0.045 nan 8.280 nan 0.000 0.504 289 L N -0.738 120.670 121.223 0.308 0.000 2.141 289 L HA -0.193 4.147 4.340 0.001 0.000 0.209 289 L C 1.774 178.787 176.870 0.237 0.000 1.094 289 L CA 0.986 55.986 54.840 0.267 0.000 0.763 289 L CB -0.459 41.695 42.059 0.158 0.000 0.908 289 L HN 0.202 nan 8.230 nan 0.000 0.437 290 D N 0.428 120.966 120.400 0.230 0.000 2.144 290 D HA -0.115 4.526 4.640 0.001 0.000 0.200 290 D C 2.294 178.761 176.300 0.279 0.000 0.978 290 D CA 1.161 55.302 54.000 0.235 0.000 0.833 290 D CB 0.038 41.031 40.800 0.321 0.000 0.961 290 D HN 0.286 nan 8.370 nan 0.000 0.470 291 I N 0.999 121.783 120.570 0.355 0.000 2.179 291 I HA -0.231 3.939 4.170 0.001 0.000 0.242 291 I C 2.480 178.734 176.117 0.229 0.000 1.088 291 I CA 1.042 62.546 61.300 0.340 0.000 1.357 291 I CB -0.174 38.041 38.000 0.360 0.000 1.051 291 I HN 0.007 nan 8.210 nan 0.000 0.409 292 E N 1.364 121.740 120.200 0.294 0.000 2.070 292 E HA -0.323 4.027 4.350 0.001 0.000 0.197 292 E C 2.390 179.128 176.600 0.229 0.000 1.004 292 E CA 1.595 58.105 56.400 0.184 0.000 0.805 292 E CB -0.092 29.763 29.700 0.259 0.000 0.744 292 E HN 0.314 nan 8.360 nan 0.000 0.451 293 R N 0.088 120.698 120.500 0.182 0.000 2.080 293 R HA -0.149 4.192 4.340 0.001 0.000 0.236 293 R C 2.265 178.632 176.300 0.113 0.000 1.137 293 R CA 1.871 58.066 56.100 0.159 0.000 0.943 293 R CB -0.229 30.117 30.300 0.077 0.000 0.846 293 R HN 0.144 nan 8.270 nan 0.000 0.431 294 V N 1.681 121.608 119.914 0.022 0.000 2.407 294 V HA -0.205 3.916 4.120 0.001 0.000 0.245 294 V C 2.430 178.613 176.094 0.148 0.000 1.041 294 V CA 1.427 63.684 62.300 -0.072 0.000 1.040 294 V CB -0.583 30.980 31.823 -0.435 0.000 0.671 294 V HN 0.447 nan 8.190 nan 0.000 0.455 295 I N 1.696 122.419 120.570 0.256 0.000 2.118 295 I HA -0.221 3.950 4.170 0.001 0.000 0.241 295 I C 2.329 178.392 176.117 -0.090 0.000 1.070 295 I CA 2.490 63.902 61.300 0.188 0.000 1.327 295 I CB -1.364 36.578 38.000 -0.096 0.000 1.034 295 I HN 0.344 nan 8.210 nan 0.000 0.405 296 G N -0.337 108.311 108.800 -0.254 0.000 2.459 296 G HA2 -0.378 3.582 3.960 0.001 0.000 0.217 296 G HA3 -0.378 3.582 3.960 0.001 0.000 0.217 296 G C 1.624 175.890 174.900 -1.056 0.000 1.183 296 G CA 1.327 45.856 45.100 -0.952 0.000 0.776 296 G HN 0.634 nan 8.290 nan 0.000 0.552 297 H N 0.795 119.648 119.070 -0.362 0.000 2.289 297 H HA -0.103 4.453 4.556 0.001 0.000 0.296 297 H C 2.569 177.810 175.328 -0.145 0.000 1.091 297 H CA 2.225 58.183 56.048 -0.150 0.000 1.274 297 H CB 0.160 29.896 29.762 -0.043 0.000 1.364 297 H HN 0.279 nan 8.280 nan 0.000 0.490 298 E N -0.297 119.983 120.200 0.133 0.000 2.106 298 E HA -0.200 4.151 4.350 0.001 0.000 0.192 298 E C 2.111 178.799 176.600 0.146 0.000 0.984 298 E CA 0.982 57.522 56.400 0.234 0.000 0.806 298 E CB -0.776 29.084 29.700 0.265 0.000 0.750 298 E HN 0.636 nan 8.360 nan 0.000 0.458 299 Y N 0.967 121.186 120.300 -0.134 0.000 2.181 299 Y HA -0.236 4.315 4.550 0.001 0.000 0.288 299 Y C 1.942 177.797 175.900 -0.075 0.000 1.146 299 Y CA 1.410 59.395 58.100 -0.192 0.000 1.164 299 Y CB -0.341 37.780 38.460 -0.565 0.000 0.982 299 Y HN -0.117 nan 8.280 nan 0.000 0.515 300 F N -0.795 119.081 119.950 -0.123 0.000 2.293 300 F HA -0.171 4.356 4.527 0.001 0.000 0.300 300 F C 2.461 178.167 175.800 -0.156 0.000 1.086 300 F CA 1.185 59.077 58.000 -0.180 0.000 1.375 300 F CB -1.290 37.610 39.000 -0.167 0.000 1.045 300 F HN 0.221 nan 8.300 nan 0.000 0.516 301 H N -0.143 118.921 119.070 -0.011 0.000 2.518 301 H HA -0.131 4.426 4.556 0.001 0.000 0.289 301 H C 1.995 177.301 175.328 -0.038 0.000 1.051 301 H CA 1.078 57.124 56.048 -0.002 0.000 1.280 301 H CB -0.518 29.250 29.762 0.009 0.000 1.380 301 H HN 0.242 nan 8.280 nan 0.000 0.566 302 N N 0.037 118.721 118.700 -0.026 0.000 2.137 302 N HA -0.191 4.550 4.740 0.001 0.000 0.190 302 N C 1.582 176.871 175.510 -0.368 0.000 1.017 302 N CA 1.593 54.513 53.050 -0.217 0.000 0.859 302 N CB -0.143 38.169 38.487 -0.292 0.000 1.002 302 N HN 0.275 nan 8.380 nan 0.000 0.428 303 W N -0.348 120.892 121.300 -0.100 0.000 2.601 303 W HA 0.211 4.872 4.660 0.001 0.000 0.292 303 W C 0.786 177.425 176.519 0.199 0.000 1.153 303 W CA 0.795 58.095 57.345 -0.075 0.000 1.448 303 W CB -0.651 28.647 29.460 -0.269 0.000 1.113 303 W HN -0.041 nan 8.180 nan 0.000 0.548 304 T N -1.158 113.672 114.554 0.459 0.000 3.579 304 T HA 0.628 4.979 4.350 0.001 0.000 0.328 304 T C 0.653 175.586 174.700 0.388 0.000 1.481 304 T CA 0.267 62.632 62.100 0.442 0.000 1.144 304 T CB -0.013 69.035 68.868 0.300 0.000 1.205 304 T HN 0.339 nan 8.240 nan 0.000 0.812 305 G N 2.995 111.990 108.800 0.325 0.000 3.675 305 G HA2 -0.180 3.781 3.960 0.001 0.000 0.206 305 G HA3 -0.180 3.781 3.960 0.001 0.000 0.206 305 G C 0.801 175.781 174.900 0.134 0.000 1.086 305 G CA -0.158 45.102 45.100 0.265 0.000 0.894 305 G HN 0.486 nan 8.290 nan 0.000 0.412 306 N N 0.507 119.222 118.700 0.025 0.000 2.413 306 N HA 0.170 4.910 4.740 0.001 0.000 0.193 306 N C 2.078 177.476 175.510 -0.186 0.000 1.043 306 N CA 0.659 53.628 53.050 -0.134 0.000 0.910 306 N CB -0.312 38.031 38.487 -0.240 0.000 1.111 306 N HN 0.073 nan 8.380 nan 0.000 0.452 307 R N 0.639 120.954 120.500 -0.307 0.000 2.096 307 R HA 0.062 4.402 4.340 0.001 0.000 0.235 307 R C -0.038 176.247 176.300 -0.026 0.000 1.127 307 R CA 0.576 56.478 56.100 -0.329 0.000 0.968 307 R CB -0.448 29.411 30.300 -0.736 0.000 0.861 307 R HN 0.104 nan 8.270 nan 0.000 0.440 308 V N 1.042 121.024 119.914 0.113 0.000 2.378 308 V HA 0.210 4.331 4.120 0.001 0.000 0.288 308 V C 0.377 176.551 176.094 0.134 0.000 1.016 308 V CA -0.464 61.910 62.300 0.124 0.000 0.840 308 V CB 1.806 33.675 31.823 0.076 0.000 0.994 308 V HN 0.110 nan 8.190 nan 0.000 0.431 309 T N 3.582 118.187 114.554 0.086 0.000 2.864 309 T HA 0.429 4.779 4.350 0.001 0.000 0.276 309 T C -0.283 174.444 174.700 0.046 0.000 1.006 309 T CA -0.290 61.871 62.100 0.101 0.000 0.970 309 T CB 1.341 70.271 68.868 0.104 0.000 1.420 309 T HN 0.695 nan 8.240 nan 0.000 0.601 310 C N 2.177 121.462 119.300 -0.024 0.000 2.319 310 C HA 0.512 4.972 4.460 0.001 0.000 0.335 310 C C 1.970 176.836 174.990 -0.206 0.000 1.274 310 C CA -0.716 58.215 59.018 -0.145 0.000 1.806 310 C CB 0.554 28.120 27.740 -0.290 0.000 2.329 310 C HN 1.037 nan 8.230 nan 0.000 0.524 311 R N 1.315 121.706 120.500 -0.181 0.000 2.096 311 R HA -0.101 4.240 4.340 0.001 0.000 0.235 311 R C 0.035 176.203 176.300 -0.220 0.000 1.127 311 R CA 2.072 58.053 56.100 -0.199 0.000 0.968 311 R CB 0.144 30.267 30.300 -0.294 0.000 0.861 311 R HN 1.004 nan 8.270 nan 0.000 0.440 312 D N -4.923 115.313 120.400 -0.272 0.000 2.639 312 D HA 0.054 4.694 4.640 0.001 0.000 0.271 312 D C -0.371 175.737 176.300 -0.320 0.000 1.254 312 D CA -0.798 53.062 54.000 -0.232 0.000 0.810 312 D CB -0.477 40.379 40.800 0.093 0.000 1.351 312 D HN -0.046 nan 8.370 nan 0.000 0.427 313 W N -0.863 120.359 121.300 -0.129 0.000 2.595 313 W HA 0.127 4.787 4.660 0.001 0.000 0.257 313 W C 1.169 177.477 176.519 -0.351 0.000 1.267 313 W CA -0.378 56.800 57.345 -0.278 0.000 1.300 313 W CB -0.224 29.042 29.460 -0.324 0.000 1.120 313 W HN 0.300 nan 8.180 nan 0.000 0.618 314 F N 0.316 120.317 119.950 0.085 0.000 2.333 314 F HA -0.185 4.342 4.527 0.001 0.000 0.300 314 F C 2.118 177.933 175.800 0.025 0.000 1.083 314 F CA 0.922 58.931 58.000 0.015 0.000 1.395 314 F CB -0.705 38.288 39.000 -0.012 0.000 1.056 314 F HN -0.084 nan 8.300 nan 0.000 0.529 315 Q N 0.331 120.209 119.800 0.130 0.000 2.282 315 Q HA 0.067 4.408 4.340 0.001 0.000 0.205 315 Q C 2.061 178.091 176.000 0.050 0.000 0.915 315 Q CA 0.055 55.898 55.803 0.066 0.000 0.949 315 Q CB -0.413 28.313 28.738 -0.019 0.000 1.035 315 Q HN 0.415 nan 8.270 nan 0.000 0.484 316 L N 0.715 121.982 121.223 0.073 0.000 2.051 316 L HA -0.206 4.135 4.340 0.001 0.000 0.214 316 L C 2.159 179.029 176.870 0.002 0.000 1.076 316 L CA 1.930 56.802 54.840 0.054 0.000 0.758 316 L CB -0.837 41.204 42.059 -0.031 0.000 0.890 316 L HN 0.128 nan 8.230 nan 0.000 0.433 317 S N -1.307 114.409 115.700 0.026 0.000 2.442 317 S HA -0.152 4.318 4.470 0.001 0.000 0.236 317 S C 1.938 176.529 174.600 -0.015 0.000 1.007 317 S CA 1.094 59.297 58.200 0.005 0.000 0.965 317 S CB -0.543 62.695 63.200 0.064 0.000 0.773 317 S HN 0.473 nan 8.310 nan 0.000 0.504 318 L N 2.478 123.703 121.223 0.004 0.000 2.043 318 L HA -0.179 4.161 4.340 0.001 0.000 0.212 318 L C 2.155 178.963 176.870 -0.104 0.000 1.075 318 L CA 2.447 57.238 54.840 -0.082 0.000 0.752 318 L CB -0.601 41.444 42.059 -0.024 0.000 0.891 318 L HN 0.470 nan 8.230 nan 0.000 0.432 319 K N -2.581 117.822 120.400 0.006 0.000 2.202 319 K HA 0.025 4.346 4.320 0.001 0.000 0.201 319 K C 1.697 178.341 176.600 0.072 0.000 1.051 319 K CA 0.575 56.924 56.287 0.103 0.000 0.977 319 K CB -0.296 32.344 32.500 0.234 0.000 0.792 319 K HN 0.190 nan 8.250 nan 0.000 0.469 320 E N 1.491 121.668 120.200 -0.038 0.000 2.051 320 E HA -0.031 4.319 4.350 0.001 0.000 0.189 320 E C 2.284 178.777 176.600 -0.178 0.000 0.979 320 E CA 1.363 57.625 56.400 -0.231 0.000 0.803 320 E CB -0.526 28.728 29.700 -0.743 0.000 0.761 320 E HN 0.514 nan 8.360 nan 0.000 0.451 321 G N 1.841 110.569 108.800 -0.119 0.000 2.446 321 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 321 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 321 G C 1.607 176.505 174.900 -0.002 0.000 1.168 321 G CA 0.954 46.028 45.100 -0.043 0.000 0.771 321 G HN 0.228 nan 8.290 nan 0.000 0.551 322 L N 0.817 121.987 121.223 -0.088 0.000 2.093 322 L HA 0.057 4.398 4.340 0.001 0.000 0.208 322 L C 2.850 179.746 176.870 0.043 0.000 1.085 322 L CA 2.462 57.274 54.840 -0.046 0.000 0.755 322 L CB -0.856 41.045 42.059 -0.263 0.000 0.904 322 L HN 0.191 nan 8.230 nan 0.000 0.435 323 T N -1.486 113.013 114.554 -0.092 0.000 2.857 323 T HA -0.084 4.266 4.350 0.001 0.000 0.266 323 T C 1.995 176.632 174.700 -0.106 0.000 1.048 323 T CA 1.275 63.216 62.100 -0.265 0.000 1.139 323 T CB -0.212 68.134 68.868 -0.871 0.000 0.874 323 T HN 0.157 nan 8.240 nan 0.000 0.455 324 V N 1.427 121.390 119.914 0.082 0.000 2.295 324 V HA -0.144 3.977 4.120 0.001 0.000 0.246 324 V C 1.996 178.205 176.094 0.191 0.000 1.049 324 V CA 1.642 64.088 62.300 0.245 0.000 1.024 324 V CB -0.739 31.239 31.823 0.258 0.000 0.648 324 V HN 0.448 nan 8.190 nan 0.000 0.447 325 F N 1.328 121.306 119.950 0.046 0.000 2.091 325 F HA -0.241 4.286 4.527 0.001 0.000 0.299 325 F C 2.547 178.381 175.800 0.056 0.000 1.103 325 F CA 1.979 60.002 58.000 0.040 0.000 1.228 325 F CB -0.321 38.710 39.000 0.052 0.000 0.984 325 F HN -0.028 nan 8.300 nan 0.000 0.477 326 R N 0.328 120.845 120.500 0.029 0.000 2.083 326 R HA -0.202 4.138 4.340 0.001 0.000 0.237 326 R C 2.045 178.245 176.300 -0.167 0.000 1.137 326 R CA 1.904 57.924 56.100 -0.133 0.000 0.951 326 R CB -0.869 29.278 30.300 -0.255 0.000 0.851 326 R HN 0.580 nan 8.270 nan 0.000 0.434 327 D N -0.020 120.448 120.400 0.114 0.000 2.144 327 D HA -0.199 4.442 4.640 0.001 0.000 0.199 327 D C 1.636 177.970 176.300 0.057 0.000 0.984 327 D CA 1.292 55.456 54.000 0.274 0.000 0.834 327 D CB -0.203 40.821 40.800 0.372 0.000 0.955 327 D HN 0.270 nan 8.370 nan 0.000 0.465 328 Q N -0.319 119.447 119.800 -0.057 0.000 2.079 328 Q HA -0.115 4.225 4.340 0.001 0.000 0.200 328 Q C 2.073 177.918 176.000 -0.257 0.000 0.974 328 Q CA 1.176 56.894 55.803 -0.142 0.000 0.840 328 Q CB -0.025 28.631 28.738 -0.137 0.000 0.898 328 Q HN 0.352 nan 8.270 nan 0.000 0.430 329 E N 0.351 120.330 120.200 -0.369 0.000 2.077 329 E HA -0.172 4.179 4.350 0.001 0.000 0.193 329 E C 1.714 178.127 176.600 -0.312 0.000 0.989 329 E CA 0.764 56.991 56.400 -0.289 0.000 0.800 329 E CB -0.280 29.293 29.700 -0.212 0.000 0.746 329 E HN 0.272 nan 8.360 nan 0.000 0.452 330 F N 2.089 121.445 119.950 -0.990 0.000 2.051 330 F HA -0.196 4.331 4.527 0.001 0.000 0.296 330 F C 2.433 177.838 175.800 -0.659 0.000 1.122 330 F CA 1.680 58.766 58.000 -1.524 0.000 1.201 330 F CB -0.608 37.615 39.000 -1.296 0.000 0.978 330 F HN -0.133 nan 8.300 nan 0.000 0.472 331 S N -0.158 115.204 115.700 -0.562 0.000 2.370 331 S HA -0.190 4.280 4.470 0.001 0.000 0.226 331 S C 2.209 176.574 174.600 -0.392 0.000 1.033 331 S CA 1.480 59.385 58.200 -0.493 0.000 1.011 331 S CB -0.586 62.470 63.200 -0.239 0.000 0.852 331 S HN 0.460 nan 8.310 nan 0.000 0.457 332 S N 1.338 116.855 115.700 -0.305 0.000 2.368 332 S HA -0.085 4.386 4.470 0.001 0.000 0.224 332 S C 1.532 176.007 174.600 -0.209 0.000 1.029 332 S CA 1.026 59.086 58.200 -0.233 0.000 0.988 332 S CB -0.390 62.698 63.200 -0.187 0.000 0.838 332 S HN 0.431 nan 8.310 nan 0.000 0.462 333 D N 1.147 121.440 120.400 -0.179 0.000 2.117 333 D HA -0.001 4.639 4.640 0.001 0.000 0.198 333 D C 1.753 177.976 176.300 -0.128 0.000 0.982 333 D CA 0.754 54.720 54.000 -0.056 0.000 0.828 333 D CB -0.256 40.658 40.800 0.191 0.000 0.967 333 D HN 0.184 nan 8.370 nan 0.000 0.464 334 L N -0.189 120.871 121.223 -0.272 0.000 2.179 334 L HA 0.150 4.490 4.340 0.001 0.000 0.208 334 L C 1.690 178.309 176.870 -0.417 0.000 1.096 334 L CA 0.990 55.677 54.840 -0.255 0.000 0.779 334 L CB -0.517 41.333 42.059 -0.348 0.000 0.922 334 L HN -0.010 nan 8.230 nan 0.000 0.443 335 G N -2.585 105.837 108.800 -0.629 0.000 3.175 335 G HA2 0.297 4.257 3.960 0.001 0.000 0.153 335 G HA3 0.297 4.257 3.960 0.001 0.000 0.153 335 G C -0.733 173.830 174.900 -0.562 0.000 1.216 335 G CA -0.045 44.349 45.100 -1.176 0.000 0.943 335 G HN -0.045 nan 8.290 nan 0.000 0.611 336 S N -0.566 114.897 115.700 -0.396 0.000 2.416 336 S HA 0.196 4.667 4.470 0.001 0.000 0.287 336 S C 1.475 175.973 174.600 -0.170 0.000 1.139 336 S CA -0.293 57.784 58.200 -0.205 0.000 1.058 336 S CB 0.872 63.996 63.200 -0.127 0.000 0.967 336 S HN 0.578 nan 8.310 nan 0.000 0.495 337 R N 4.327 124.743 120.500 -0.139 0.000 2.091 337 R HA -0.107 4.233 4.340 0.001 0.000 0.238 337 R C 2.196 178.442 176.300 -0.090 0.000 1.136 337 R CA 1.861 57.891 56.100 -0.116 0.000 0.959 337 R CB -0.666 29.582 30.300 -0.087 0.000 0.856 337 R HN 0.776 nan 8.270 nan 0.000 0.437 338 A N 0.137 122.920 122.820 -0.062 0.000 1.883 338 A HA -0.127 4.194 4.320 0.001 0.000 0.217 338 A C 2.276 179.810 177.584 -0.083 0.000 1.186 338 A CA 1.763 53.783 52.037 -0.028 0.000 0.624 338 A CB -0.644 18.352 19.000 -0.008 0.000 0.822 338 A HN 0.240 nan 8.150 nan 0.000 0.444 339 V N 0.968 120.814 119.914 -0.113 0.000 2.358 339 V HA -0.258 3.863 4.120 0.001 0.000 0.246 339 V C 2.343 178.341 176.094 -0.160 0.000 1.047 339 V CA 2.024 64.233 62.300 -0.151 0.000 1.035 339 V CB -0.942 30.815 31.823 -0.110 0.000 0.658 339 V HN 0.570 nan 8.190 nan 0.000 0.452 340 N N 0.208 118.826 118.700 -0.136 0.000 2.069 340 N HA -0.227 4.514 4.740 0.001 0.000 0.191 340 N C 2.066 177.494 175.510 -0.137 0.000 1.031 340 N CA 1.704 54.675 53.050 -0.132 0.000 0.852 340 N CB -0.274 38.130 38.487 -0.139 0.000 1.018 340 N HN 0.291 nan 8.380 nan 0.000 0.423 341 R N 1.494 121.916 120.500 -0.129 0.000 2.073 341 R HA 0.050 4.390 4.340 0.001 0.000 0.234 341 R C 2.268 178.490 176.300 -0.130 0.000 1.134 341 R CA 0.965 56.984 56.100 -0.134 0.000 0.952 341 R CB -0.784 29.425 30.300 -0.150 0.000 0.850 341 R HN 0.231 nan 8.270 nan 0.000 0.433 342 I N 0.800 121.269 120.570 -0.167 0.000 2.118 342 I HA -0.373 3.797 4.170 0.001 0.000 0.241 342 I C 1.882 177.699 176.117 -0.500 0.000 1.070 342 I CA 1.646 62.611 61.300 -0.559 0.000 1.327 342 I CB -0.462 36.949 38.000 -0.982 0.000 1.034 342 I HN 0.282 nan 8.210 nan 0.000 0.405 343 N N 0.865 119.373 118.700 -0.320 0.000 2.166 343 N HA -0.148 4.593 4.740 0.001 0.000 0.186 343 N C 1.536 176.956 175.510 -0.149 0.000 1.019 343 N CA 1.212 54.139 53.050 -0.206 0.000 0.856 343 N CB -0.489 37.915 38.487 -0.138 0.000 0.993 343 N HN 0.408 nan 8.380 nan 0.000 0.426 344 N N 0.608 119.226 118.700 -0.136 0.000 2.244 344 N HA -0.058 4.682 4.740 0.001 0.000 0.183 344 N C 1.845 177.270 175.510 -0.142 0.000 1.016 344 N CA 0.436 53.428 53.050 -0.097 0.000 0.866 344 N CB -0.281 38.168 38.487 -0.063 0.000 0.980 344 N HN 0.057 nan 8.380 nan 0.000 0.430 345 V N 1.589 121.376 119.914 -0.211 0.000 2.379 345 V HA -0.120 4.001 4.120 0.001 0.000 0.245 345 V C 2.312 178.241 176.094 -0.275 0.000 1.044 345 V CA 1.208 63.280 62.300 -0.379 0.000 1.036 345 V CB -0.336 31.308 31.823 -0.298 0.000 0.664 345 V HN 0.233 nan 8.190 nan 0.000 0.453 346 R N -0.118 120.303 120.500 -0.132 0.000 2.103 346 R HA -0.178 4.163 4.340 0.001 0.000 0.242 346 R C 2.388 178.630 176.300 -0.096 0.000 1.142 346 R CA 2.049 58.123 56.100 -0.043 0.000 0.960 346 R CB -0.794 29.503 30.300 -0.005 0.000 0.858 346 R HN 0.482 nan 8.270 nan 0.000 0.439 347 T N 0.958 115.453 114.554 -0.098 0.000 2.777 347 T HA -0.101 4.250 4.350 0.001 0.000 0.266 347 T C 1.871 176.512 174.700 -0.098 0.000 1.040 347 T CA 1.064 63.123 62.100 -0.068 0.000 1.141 347 T CB -0.020 68.827 68.868 -0.034 0.000 0.868 347 T HN 0.079 nan 8.240 nan 0.000 0.444 348 M N 1.021 120.524 119.600 -0.163 0.000 2.059 348 M HA -0.004 4.477 4.480 0.001 0.000 0.259 348 M C 2.372 178.314 176.300 -0.597 0.000 1.072 348 M CA 1.656 56.828 55.300 -0.213 0.000 1.117 348 M CB -0.965 31.564 32.600 -0.119 0.000 1.320 348 M HN 0.178 nan 8.290 nan 0.000 0.408 349 R N -0.828 119.215 120.500 -0.761 0.000 2.092 349 R HA -0.053 4.288 4.340 0.001 0.000 0.231 349 R C 2.257 178.347 176.300 -0.349 0.000 1.119 349 R CA 1.303 56.842 56.100 -0.936 0.000 0.970 349 R CB -0.514 29.490 30.300 -0.494 0.000 0.864 349 R HN 0.507 nan 8.270 nan 0.000 0.440 350 G N -0.563 108.136 108.800 -0.169 0.000 2.595 350 G HA2 0.030 3.991 3.960 0.001 0.000 0.213 350 G HA3 0.030 3.991 3.960 0.001 0.000 0.213 350 G C 1.227 176.140 174.900 0.022 0.000 1.141 350 G CA -0.027 45.056 45.100 -0.028 0.000 0.806 350 G HN 0.072 nan 8.290 nan 0.000 0.530 351 L N -1.340 119.889 121.223 0.010 0.000 2.586 351 L HA 0.223 4.564 4.340 0.001 0.000 0.204 351 L C 2.511 179.438 176.870 0.094 0.000 1.053 351 L CA 0.125 54.996 54.840 0.051 0.000 0.856 351 L CB -0.259 41.818 42.059 0.031 0.000 1.192 351 L HN 0.025 nan 8.230 nan 0.000 0.484 352 Q N 0.462 120.321 119.800 0.100 0.000 2.083 352 Q HA -0.129 4.212 4.340 0.001 0.000 0.198 352 Q C 2.241 178.438 176.000 0.329 0.000 0.969 352 Q CA 1.711 57.625 55.803 0.184 0.000 0.838 352 Q CB 0.031 28.885 28.738 0.194 0.000 0.900 352 Q HN 0.286 nan 8.270 nan 0.000 0.436 353 F N 0.761 120.769 119.950 0.097 0.000 2.161 353 F HA -0.132 4.395 4.527 0.001 0.000 0.300 353 F C 2.510 178.357 175.800 0.079 0.000 1.089 353 F CA 0.852 58.912 58.000 0.100 0.000 1.282 353 F CB -1.364 37.706 39.000 0.117 0.000 1.010 353 F HN 0.143 nan 8.300 nan 0.000 0.485 354 A N -0.342 122.641 122.820 0.272 0.000 1.908 354 A HA -0.259 4.062 4.320 0.001 0.000 0.218 354 A C 2.253 179.921 177.584 0.140 0.000 1.181 354 A CA 1.884 54.026 52.037 0.175 0.000 0.627 354 A CB -0.942 18.145 19.000 0.146 0.000 0.818 354 A HN 0.430 nan 8.150 nan 0.000 0.445 355 E N -0.575 119.707 120.200 0.136 0.000 2.077 355 E HA -0.234 4.116 4.350 0.001 0.000 0.193 355 E C 1.249 177.900 176.600 0.086 0.000 0.989 355 E CA 1.251 57.714 56.400 0.104 0.000 0.800 355 E CB -0.143 29.614 29.700 0.095 0.000 0.746 355 E HN 0.471 nan 8.360 nan 0.000 0.452 356 D N -0.653 119.800 120.400 0.088 0.000 2.350 356 D HA -0.042 4.599 4.640 0.001 0.000 0.216 356 D C 0.883 177.209 176.300 0.043 0.000 0.968 356 D CA 0.836 54.863 54.000 0.045 0.000 0.894 356 D CB 0.200 41.019 40.800 0.031 0.000 0.909 356 D HN 0.249 nan 8.370 nan 0.000 0.520 357 A N -0.069 122.791 122.820 0.065 0.000 2.423 357 A HA 0.250 4.570 4.320 0.001 0.000 0.246 357 A C 0.911 178.535 177.584 0.066 0.000 1.278 357 A CA -0.090 51.981 52.037 0.056 0.000 0.903 357 A CB 0.059 19.098 19.000 0.064 0.000 0.997 357 A HN 0.160 nan 8.150 nan 0.000 0.510 358 S N -1.424 114.321 115.700 0.076 0.000 2.739 358 S HA 0.590 5.060 4.470 0.001 0.000 0.306 358 S C -2.325 172.322 174.600 0.077 0.000 1.115 358 S CA -1.297 56.952 58.200 0.081 0.000 0.985 358 S CB 1.402 64.656 63.200 0.089 0.000 1.133 358 S HN -0.064 nan 8.310 nan 0.000 0.541 359 P HA 0.056 nan 4.420 nan 0.000 0.225 359 P C 0.736 178.084 177.300 0.080 0.000 1.148 359 P CA 0.869 64.009 63.100 0.066 0.000 0.779 359 P CB -0.032 31.697 31.700 0.048 0.000 0.780 360 M N -1.241 118.410 119.600 0.085 0.000 2.563 360 M HA 0.215 4.696 4.480 0.001 0.000 0.231 360 M C 0.475 176.919 176.300 0.240 0.000 1.136 360 M CA -1.125 54.237 55.300 0.103 0.000 1.026 360 M CB -1.265 31.362 32.600 0.044 0.000 1.597 360 M HN -0.264 nan 8.290 nan 0.000 0.495 361 A N 1.225 124.158 122.820 0.188 0.000 2.511 361 A HA 0.354 4.675 4.320 0.001 0.000 0.242 361 A C -0.121 177.637 177.584 0.290 0.000 1.069 361 A CA 0.203 52.340 52.037 0.166 0.000 0.763 361 A CB -0.339 18.717 19.000 0.093 0.000 1.001 361 A HN 0.656 nan 8.150 nan 0.000 0.498 362 H N -0.161 119.005 119.070 0.161 0.000 3.046 362 H HA 0.598 5.155 4.556 0.001 0.000 0.361 362 H C -3.434 171.999 175.328 0.175 0.000 1.235 362 H CA -2.409 53.765 56.048 0.210 0.000 1.146 362 H CB 0.636 30.614 29.762 0.359 0.000 1.859 362 H HN 0.338 nan 8.280 nan 0.000 0.548 363 P HA 0.103 nan 4.420 nan 0.000 0.272 363 P C 1.691 179.107 177.300 0.194 0.000 1.240 363 P CA -0.458 62.732 63.100 0.151 0.000 0.791 363 P CB 1.053 32.852 31.700 0.166 0.000 0.978 364 I N -1.427 119.214 120.570 0.119 0.000 2.567 364 I HA -0.085 4.085 4.170 0.001 0.000 0.257 364 I C 1.046 177.288 176.117 0.209 0.000 1.184 364 I CA 1.202 62.578 61.300 0.127 0.000 1.451 364 I CB -0.304 37.685 38.000 -0.019 0.000 1.089 364 I HN 0.144 nan 8.210 nan 0.000 0.441 365 R N 2.629 123.276 120.500 0.244 0.000 2.287 365 R HA 0.450 4.791 4.340 0.001 0.000 0.316 365 R C -2.625 173.828 176.300 0.254 0.000 1.050 365 R CA -2.064 54.200 56.100 0.272 0.000 0.983 365 R CB 0.776 31.266 30.300 0.317 0.000 1.140 365 R HN 0.055 nan 8.270 nan 0.000 0.528 366 P HA 0.021 nan 4.420 nan 0.000 0.268 366 P C -0.483 176.935 177.300 0.197 0.000 1.208 366 P CA -0.003 63.234 63.100 0.228 0.000 0.777 366 P CB 0.826 32.538 31.700 0.020 0.000 0.875 367 D N 0.264 120.727 120.400 0.105 0.000 2.388 367 D HA 0.125 4.766 4.640 0.001 0.000 0.208 367 D C 0.532 176.770 176.300 -0.104 0.000 1.035 367 D CA 1.005 54.985 54.000 -0.032 0.000 0.875 367 D CB 0.345 41.186 40.800 0.069 0.000 0.984 367 D HN 0.292 nan 8.370 nan 0.000 0.508 368 M N 1.098 120.691 119.600 -0.013 0.000 2.277 368 M HA 0.372 4.853 4.480 0.001 0.000 0.282 368 M C -2.325 173.865 176.300 -0.184 0.000 1.074 368 M CA -0.464 54.734 55.300 -0.170 0.000 0.954 368 M CB 2.438 34.958 32.600 -0.134 0.000 1.672 368 M HN -0.396 nan 8.290 nan 0.000 0.471 369 V N 5.918 125.710 119.914 -0.204 0.000 2.686 369 V HA 0.417 4.537 4.120 0.001 0.000 0.306 369 V C 0.214 176.251 176.094 -0.095 0.000 1.065 369 V CA -0.400 61.708 62.300 -0.321 0.000 0.894 369 V CB 2.191 33.643 31.823 -0.618 0.000 1.004 369 V HN 0.985 nan 8.190 nan 0.000 0.424 370 I N 1.551 122.163 120.570 0.070 0.000 2.512 370 I HA 0.207 4.378 4.170 0.001 0.000 0.247 370 I C 0.727 176.903 176.117 0.097 0.000 1.094 370 I CA 0.641 61.999 61.300 0.096 0.000 1.427 370 I CB 0.440 38.545 38.000 0.175 0.000 1.149 370 I HN 0.602 nan 8.210 nan 0.000 0.438 371 E N 0.924 121.220 120.200 0.159 0.000 2.145 371 E HA 0.171 4.521 4.350 0.001 0.000 0.262 371 E C 0.397 177.101 176.600 0.173 0.000 0.883 371 E CA -0.402 56.069 56.400 0.118 0.000 0.748 371 E CB 1.405 31.164 29.700 0.098 0.000 1.140 371 E HN 0.096 nan 8.360 nan 0.000 0.417 372 M N 4.027 123.663 119.600 0.060 0.000 2.279 372 M HA -0.016 4.464 4.480 0.001 0.000 0.264 372 M C 0.571 176.983 176.300 0.185 0.000 1.062 372 M CA 1.466 56.798 55.300 0.052 0.000 1.099 372 M CB -0.224 32.267 32.600 -0.181 0.000 1.394 372 M HN 0.449 nan 8.290 nan 0.000 0.426 373 N N 0.511 119.253 118.700 0.071 0.000 2.443 373 N HA -0.093 4.647 4.740 0.001 0.000 0.184 373 N C 0.813 176.379 175.510 0.094 0.000 1.037 373 N CA 0.774 53.839 53.050 0.025 0.000 0.896 373 N CB -0.570 37.844 38.487 -0.122 0.000 0.959 373 N HN 0.457 nan 8.380 nan 0.000 0.442 374 N N -0.152 118.596 118.700 0.080 0.000 2.515 374 N HA -0.002 4.738 4.740 0.001 0.000 0.185 374 N C 0.132 175.405 175.510 -0.395 0.000 1.109 374 N CA 0.336 53.298 53.050 -0.147 0.000 0.903 374 N CB -0.073 38.264 38.487 -0.250 0.000 0.969 374 N HN 0.255 nan 8.380 nan 0.000 0.450 375 F N -1.051 118.901 119.950 0.003 0.000 2.668 375 F HA 0.236 4.764 4.527 0.001 0.000 0.301 375 F C -0.206 175.533 175.800 -0.101 0.000 1.106 375 F CA -0.539 57.392 58.000 -0.115 0.000 1.289 375 F CB 0.048 38.919 39.000 -0.216 0.000 1.006 375 F HN -0.121 nan 8.300 nan 0.000 0.535 376 Y N 1.431 121.786 120.300 0.091 0.000 2.667 376 Y HA 0.240 4.791 4.550 0.001 0.000 0.340 376 Y C 0.971 176.874 175.900 0.005 0.000 1.303 376 Y CA -0.901 57.281 58.100 0.136 0.000 1.769 376 Y CB -0.638 37.834 38.460 0.020 0.000 1.804 376 Y HN -0.019 nan 8.280 nan 0.000 0.451 377 T N -3.383 111.292 114.554 0.202 0.000 2.942 377 T HA 0.384 4.735 4.350 0.001 0.000 0.289 377 T C 1.074 175.880 174.700 0.176 0.000 1.044 377 T CA -0.892 61.302 62.100 0.156 0.000 1.023 377 T CB 1.203 70.244 68.868 0.288 0.000 1.123 377 T HN 0.371 nan 8.240 nan 0.000 0.512 378 L N 0.408 121.696 121.223 0.108 0.000 2.089 378 L HA -0.159 4.181 4.340 0.001 0.000 0.213 378 L C 2.984 179.955 176.870 0.169 0.000 1.079 378 L CA 1.795 56.708 54.840 0.122 0.000 0.758 378 L CB -1.124 40.989 42.059 0.090 0.000 0.891 378 L HN 0.847 nan 8.230 nan 0.000 0.433 379 T N -0.990 113.654 114.554 0.150 0.000 2.668 379 T HA -0.145 4.205 4.350 0.001 0.000 0.262 379 T C 1.965 176.765 174.700 0.166 0.000 1.045 379 T CA 1.459 63.608 62.100 0.082 0.000 1.152 379 T CB -0.243 68.492 68.868 -0.222 0.000 0.864 379 T HN 0.053 nan 8.240 nan 0.000 0.419 380 V N 0.063 120.150 119.914 0.289 0.000 2.407 380 V HA -0.147 3.974 4.120 0.001 0.000 0.248 380 V C 2.053 178.264 176.094 0.195 0.000 1.055 380 V CA 1.565 64.017 62.300 0.254 0.000 1.049 380 V CB -0.638 31.354 31.823 0.282 0.000 0.662 380 V HN 0.452 nan 8.190 nan 0.000 0.455 381 Y N 0.449 120.811 120.300 0.104 0.000 2.170 381 Y HA -0.022 4.529 4.550 0.001 0.000 0.280 381 Y C 2.575 178.536 175.900 0.102 0.000 1.097 381 Y CA 1.507 59.675 58.100 0.113 0.000 1.087 381 Y CB -0.528 37.998 38.460 0.110 0.000 1.016 381 Y HN 0.162 nan 8.280 nan 0.000 0.485 382 E N 0.222 120.593 120.200 0.285 0.000 2.046 382 E HA -0.119 4.232 4.350 0.001 0.000 0.190 382 E C 2.048 178.737 176.600 0.149 0.000 0.982 382 E CA 1.115 57.628 56.400 0.188 0.000 0.800 382 E CB -0.127 29.662 29.700 0.149 0.000 0.756 382 E HN 0.224 nan 8.360 nan 0.000 0.449 383 K N 0.133 120.617 120.400 0.140 0.000 2.097 383 K HA -0.084 4.236 4.320 0.001 0.000 0.205 383 K C 2.101 178.714 176.600 0.022 0.000 1.050 383 K CA 1.268 57.614 56.287 0.099 0.000 0.938 383 K CB -0.340 32.224 32.500 0.107 0.000 0.718 383 K HN 0.208 nan 8.250 nan 0.000 0.442 384 G N 0.725 109.546 108.800 0.035 0.000 2.476 384 G HA2 -0.330 3.631 3.960 0.001 0.000 0.218 384 G HA3 -0.330 3.631 3.960 0.001 0.000 0.218 384 G C 1.559 176.449 174.900 -0.016 0.000 1.164 384 G CA 1.120 46.207 45.100 -0.022 0.000 0.768 384 G HN 0.449 nan 8.290 nan 0.000 0.560 385 A N 0.441 123.297 122.820 0.061 0.000 1.930 385 A HA 0.012 4.333 4.320 0.001 0.000 0.217 385 A C 2.248 179.882 177.584 0.083 0.000 1.175 385 A CA 1.905 54.016 52.037 0.123 0.000 0.627 385 A CB -0.282 18.835 19.000 0.195 0.000 0.815 385 A HN 0.299 nan 8.150 nan 0.000 0.443 386 E N 0.012 120.239 120.200 0.045 0.000 2.110 386 E HA -0.122 4.228 4.350 0.001 0.000 0.193 386 E C 2.177 178.681 176.600 -0.160 0.000 0.988 386 E CA 1.316 57.705 56.400 -0.018 0.000 0.804 386 E CB -0.609 29.095 29.700 0.006 0.000 0.745 386 E HN 0.418 nan 8.360 nan 0.000 0.458 387 V N 1.804 121.593 119.914 -0.207 0.000 2.358 387 V HA -0.223 3.898 4.120 0.001 0.000 0.246 387 V C 2.371 178.447 176.094 -0.030 0.000 1.047 387 V CA 1.101 63.252 62.300 -0.248 0.000 1.035 387 V CB -0.380 31.220 31.823 -0.371 0.000 0.658 387 V HN 0.188 nan 8.190 nan 0.000 0.452 388 I N 0.217 120.748 120.570 -0.065 0.000 2.163 388 I HA -0.241 3.929 4.170 0.001 0.000 0.243 388 I C 2.582 178.477 176.117 -0.371 0.000 1.085 388 I CA 1.778 63.001 61.300 -0.128 0.000 1.347 388 I CB -1.259 36.594 38.000 -0.244 0.000 1.044 388 I HN 0.324 nan 8.210 nan 0.000 0.408 389 R N 0.430 120.724 120.500 -0.344 0.000 2.096 389 R HA -0.138 4.203 4.340 0.001 0.000 0.235 389 R C 2.379 178.606 176.300 -0.121 0.000 1.127 389 R CA 1.241 57.210 56.100 -0.218 0.000 0.968 389 R CB -0.065 30.280 30.300 0.074 0.000 0.861 389 R HN 0.258 nan 8.270 nan 0.000 0.440 390 M N 0.001 119.529 119.600 -0.120 0.000 2.117 390 M HA -0.168 4.313 4.480 0.001 0.000 0.262 390 M C 2.135 178.309 176.300 -0.210 0.000 1.065 390 M CA 1.560 56.793 55.300 -0.111 0.000 1.114 390 M CB -0.163 32.406 32.600 -0.053 0.000 1.361 390 M HN 0.200 nan 8.290 nan 0.000 0.408 391 I N -0.939 119.481 120.570 -0.250 0.000 2.163 391 I HA -0.368 3.802 4.170 0.001 0.000 0.243 391 I C 2.681 178.753 176.117 -0.076 0.000 1.085 391 I CA 1.375 62.498 61.300 -0.296 0.000 1.347 391 I CB -0.907 37.031 38.000 -0.103 0.000 1.044 391 I HN 0.420 nan 8.210 nan 0.000 0.408 392 H N 1.037 119.998 119.070 -0.182 0.000 2.352 392 H HA -0.164 4.393 4.556 0.001 0.000 0.299 392 H C 2.160 177.396 175.328 -0.153 0.000 1.097 392 H CA 2.163 58.037 56.048 -0.290 0.000 1.311 392 H CB 0.070 29.430 29.762 -0.670 0.000 1.377 392 H HN 0.247 nan 8.280 nan 0.000 0.504 393 T N 1.401 115.922 114.554 -0.055 0.000 2.746 393 T HA -0.087 4.263 4.350 0.001 0.000 0.267 393 T C 2.418 177.056 174.700 -0.105 0.000 1.039 393 T CA 1.203 63.266 62.100 -0.061 0.000 1.142 393 T CB -0.208 68.642 68.868 -0.031 0.000 0.866 393 T HN 0.240 nan 8.240 nan 0.000 0.444 394 L N -0.160 120.980 121.223 -0.139 0.000 2.156 394 L HA 0.016 4.357 4.340 0.001 0.000 0.208 394 L C 2.017 178.821 176.870 -0.111 0.000 1.095 394 L CA 0.669 55.433 54.840 -0.127 0.000 0.770 394 L CB -0.240 41.686 42.059 -0.223 0.000 0.914 394 L HN 0.212 nan 8.230 nan 0.000 0.439 395 L N -1.150 119.992 121.223 -0.135 0.000 2.357 395 L HA 0.338 4.678 4.340 0.001 0.000 0.211 395 L C 1.061 177.850 176.870 -0.135 0.000 1.075 395 L CA 0.732 55.507 54.840 -0.109 0.000 0.830 395 L CB -0.431 41.588 42.059 -0.066 0.000 0.996 395 L HN 0.245 nan 8.230 nan 0.000 0.467 396 G N -0.112 108.539 108.800 -0.248 0.000 2.758 396 G HA2 -0.287 3.674 3.960 0.001 0.000 0.686 396 G HA3 -0.287 3.674 3.960 0.001 0.000 0.686 396 G C 0.481 175.170 174.900 -0.352 0.000 1.389 396 G CA 0.176 45.087 45.100 -0.314 0.000 0.845 396 G HN 0.198 nan 8.290 nan 0.000 0.572 397 E N -0.039 119.964 120.200 -0.328 0.000 2.058 397 E HA -0.166 4.185 4.350 0.001 0.000 0.194 397 E C 2.162 178.758 176.600 -0.006 0.000 0.997 397 E CA 2.461 58.794 56.400 -0.110 0.000 0.801 397 E CB -0.220 29.496 29.700 0.027 0.000 0.746 397 E HN 0.721 nan 8.360 nan 0.000 0.450 398 E N -0.405 119.772 120.200 -0.037 0.000 2.038 398 E HA -0.245 4.106 4.350 0.001 0.000 0.195 398 E C 1.861 178.449 176.600 -0.021 0.000 1.000 398 E CA 1.475 57.858 56.400 -0.028 0.000 0.803 398 E CB -0.170 29.509 29.700 -0.035 0.000 0.750 398 E HN 0.241 nan 8.360 nan 0.000 0.448 399 N N -0.030 118.651 118.700 -0.031 0.000 2.166 399 N HA -0.164 4.577 4.740 0.001 0.000 0.186 399 N C 1.612 177.103 175.510 -0.032 0.000 1.019 399 N CA 0.918 53.942 53.050 -0.042 0.000 0.856 399 N CB -0.482 37.971 38.487 -0.057 0.000 0.993 399 N HN 0.212 nan 8.380 nan 0.000 0.426 400 F N 2.208 122.075 119.950 -0.138 0.000 2.134 400 F HA -0.178 4.350 4.527 0.001 0.000 0.299 400 F C 2.313 178.077 175.800 -0.060 0.000 1.097 400 F CA 1.373 59.314 58.000 -0.099 0.000 1.264 400 F CB 0.035 39.016 39.000 -0.031 0.000 1.001 400 F HN -0.013 nan 8.300 nan 0.000 0.479 401 Q N 0.706 120.563 119.800 0.095 0.000 2.119 401 Q HA -0.177 4.164 4.340 0.001 0.000 0.201 401 Q C 2.157 178.119 176.000 -0.064 0.000 0.972 401 Q CA 1.504 57.300 55.803 -0.013 0.000 0.847 401 Q CB -0.471 28.239 28.738 -0.046 0.000 0.903 401 Q HN 0.497 nan 8.270 nan 0.000 0.433 402 K N -0.067 120.291 120.400 -0.070 0.000 2.063 402 K HA -0.131 4.190 4.320 0.001 0.000 0.208 402 K C 2.143 178.669 176.600 -0.124 0.000 1.048 402 K CA 1.295 57.536 56.287 -0.077 0.000 0.928 402 K CB -0.400 32.058 32.500 -0.069 0.000 0.713 402 K HN 0.288 nan 8.250 nan 0.000 0.442 403 G N 1.366 110.036 108.800 -0.216 0.000 2.418 403 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 403 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 403 G C 1.477 176.182 174.900 -0.324 0.000 1.158 403 G CA 0.646 45.548 45.100 -0.330 0.000 0.771 403 G HN 0.049 nan 8.290 nan 0.000 0.545 404 M N 0.377 119.788 119.600 -0.315 0.000 2.080 404 M HA -0.111 4.370 4.480 0.001 0.000 0.260 404 M C 2.626 178.895 176.300 -0.052 0.000 1.068 404 M CA 1.335 56.535 55.300 -0.168 0.000 1.109 404 M CB -1.322 31.329 32.600 0.084 0.000 1.342 404 M HN 0.347 nan 8.290 nan 0.000 0.405 405 Q N -0.307 119.513 119.800 0.032 0.000 2.084 405 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 405 Q C 2.094 178.134 176.000 0.066 0.000 0.978 405 Q CA 1.148 57.013 55.803 0.103 0.000 0.844 405 Q CB -0.304 28.460 28.738 0.044 0.000 0.898 405 Q HN 0.299 nan 8.270 nan 0.000 0.426 406 L N -0.300 120.920 121.223 -0.005 0.000 2.056 406 L HA -0.174 4.167 4.340 0.001 0.000 0.207 406 L C 2.118 179.000 176.870 0.019 0.000 1.078 406 L CA 1.659 56.491 54.840 -0.012 0.000 0.749 406 L CB -0.722 41.308 42.059 -0.049 0.000 0.901 406 L HN 0.221 nan 8.230 nan 0.000 0.433 407 Y N -0.385 119.828 120.300 -0.145 0.000 2.081 407 Y HA -0.326 4.224 4.550 0.001 0.000 0.280 407 Y C 2.172 178.072 175.900 -0.001 0.000 1.163 407 Y CA 2.067 60.113 58.100 -0.089 0.000 1.135 407 Y CB -0.706 37.590 38.460 -0.273 0.000 0.970 407 Y HN 0.216 nan 8.280 nan 0.000 0.498 408 F N 0.574 120.548 119.950 0.040 0.000 2.186 408 F HA -0.098 4.429 4.527 0.001 0.000 0.299 408 F C 2.576 178.359 175.800 -0.027 0.000 1.090 408 F CA 1.636 59.618 58.000 -0.030 0.000 1.307 408 F CB -1.098 37.921 39.000 0.032 0.000 1.019 408 F HN 0.135 nan 8.300 nan 0.000 0.489 409 E N 0.235 120.517 120.200 0.136 0.000 2.058 409 E HA -0.215 4.135 4.350 0.001 0.000 0.194 409 E C 2.372 178.947 176.600 -0.042 0.000 0.997 409 E CA 1.439 57.869 56.400 0.051 0.000 0.801 409 E CB 0.024 29.735 29.700 0.019 0.000 0.746 409 E HN 0.315 nan 8.360 nan 0.000 0.450 410 R N -1.123 119.277 120.500 -0.167 0.000 2.090 410 R HA -0.023 4.317 4.340 0.001 0.000 0.228 410 R C 1.654 177.655 176.300 -0.498 0.000 1.110 410 R CA 1.173 57.020 56.100 -0.421 0.000 0.973 410 R CB 0.051 29.910 30.300 -0.734 0.000 0.869 410 R HN 0.335 nan 8.270 nan 0.000 0.440 411 H N -0.980 118.054 119.070 -0.060 0.000 2.893 411 H HA 0.105 4.661 4.556 0.001 0.000 0.270 411 H C -0.265 175.047 175.328 -0.028 0.000 1.095 411 H CA -0.494 55.502 56.048 -0.087 0.000 1.186 411 H CB 0.236 29.865 29.762 -0.221 0.000 1.562 411 H HN 0.065 nan 8.280 nan 0.000 0.536 412 D N 0.978 121.456 120.400 0.131 0.000 2.533 412 D HA 0.060 4.700 4.640 0.001 0.000 0.236 412 D C 1.439 177.809 176.300 0.116 0.000 1.137 412 D CA 1.748 55.856 54.000 0.179 0.000 0.867 412 D CB 0.370 41.311 40.800 0.235 0.000 1.170 412 D HN 0.612 nan 8.370 nan 0.000 0.474 413 G N 2.220 111.075 108.800 0.092 0.000 2.141 413 G HA2 -0.188 3.772 3.960 0.001 0.000 0.242 413 G HA3 -0.188 3.772 3.960 0.001 0.000 0.242 413 G C 0.276 175.220 174.900 0.072 0.000 0.982 413 G CA 0.709 45.860 45.100 0.085 0.000 0.662 413 G HN 1.123 nan 8.290 nan 0.000 0.527 414 S N -1.257 114.487 115.700 0.073 0.000 2.697 414 S HA 0.906 5.376 4.470 0.001 0.000 0.289 414 S C -0.217 174.414 174.600 0.052 0.000 1.149 414 S CA 0.265 58.507 58.200 0.069 0.000 0.850 414 S CB 2.097 65.356 63.200 0.097 0.000 1.151 414 S HN 1.906 nan 8.310 nan 0.000 0.491 415 A N 0.487 123.327 122.820 0.034 0.000 2.260 415 A HA 0.867 5.188 4.320 0.001 0.000 0.314 415 A C 0.230 177.797 177.584 -0.027 0.000 1.257 415 A CA -0.303 51.735 52.037 0.002 0.000 0.871 415 A CB 0.120 19.112 19.000 -0.014 0.000 1.166 415 A HN 1.549 nan 8.150 nan 0.000 0.522 416 A N 1.815 124.603 122.820 -0.053 0.000 2.347 416 A HA 0.962 5.283 4.320 0.001 0.000 0.301 416 A C 0.370 177.889 177.584 -0.109 0.000 1.163 416 A CA 0.072 52.035 52.037 -0.123 0.000 0.860 416 A CB 0.854 19.706 19.000 -0.247 0.000 1.367 416 A HN 1.524 nan 8.150 nan 0.000 0.461 417 T N -3.659 110.821 114.554 -0.124 0.000 2.942 417 T HA 0.381 4.732 4.350 0.001 0.000 0.289 417 T C 0.967 175.631 174.700 -0.061 0.000 1.044 417 T CA -0.048 61.994 62.100 -0.097 0.000 1.023 417 T CB 0.682 69.479 68.868 -0.118 0.000 1.123 417 T HN 0.611 nan 8.240 nan 0.000 0.512 418 C N 0.639 119.899 119.300 -0.066 0.000 2.401 418 C HA -0.090 4.370 4.460 0.001 0.000 0.276 418 C C 2.507 177.371 174.990 -0.211 0.000 1.233 418 C CA 1.660 60.599 59.018 -0.131 0.000 1.753 418 C CB -1.420 26.219 27.740 -0.169 0.000 2.029 418 C HN 1.140 nan 8.230 nan 0.000 0.478 419 D N 0.484 120.772 120.400 -0.186 0.000 2.144 419 D HA -0.131 4.509 4.640 0.001 0.000 0.199 419 D C 1.650 177.907 176.300 -0.072 0.000 0.984 419 D CA 1.284 55.195 54.000 -0.148 0.000 0.834 419 D CB -0.208 40.536 40.800 -0.093 0.000 0.955 419 D HN 0.408 nan 8.370 nan 0.000 0.465 420 D N -0.548 119.820 120.400 -0.053 0.000 2.123 420 D HA -0.190 4.451 4.640 0.001 0.000 0.196 420 D C 1.756 178.087 176.300 0.052 0.000 0.992 420 D CA 0.638 54.623 54.000 -0.024 0.000 0.833 420 D CB -0.480 40.157 40.800 -0.272 0.000 0.954 420 D HN 0.307 nan 8.370 nan 0.000 0.455 421 F N 1.538 121.410 119.950 -0.131 0.000 2.102 421 F HA -0.204 4.323 4.527 0.001 0.000 0.298 421 F C 2.214 177.892 175.800 -0.204 0.000 1.105 421 F CA 1.020 58.861 58.000 -0.266 0.000 1.239 421 F CB -0.312 38.417 39.000 -0.453 0.000 0.991 421 F HN -0.223 nan 8.300 nan 0.000 0.474 422 V N 0.521 120.340 119.914 -0.158 0.000 2.343 422 V HA -0.340 3.780 4.120 0.001 0.000 0.247 422 V C 2.443 178.423 176.094 -0.190 0.000 1.051 422 V CA 2.299 64.488 62.300 -0.184 0.000 1.036 422 V CB -0.942 30.856 31.823 -0.042 0.000 0.654 422 V HN 0.454 nan 8.190 nan 0.000 0.451 423 Q N -0.456 119.278 119.800 -0.110 0.000 2.124 423 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 423 Q C 2.293 178.237 176.000 -0.093 0.000 0.977 423 Q CA 1.773 57.538 55.803 -0.064 0.000 0.850 423 Q CB -0.222 28.514 28.738 -0.003 0.000 0.901 423 Q HN 0.678 nan 8.270 nan 0.000 0.429 424 A N 0.344 123.088 122.820 -0.127 0.000 1.898 424 A HA -0.175 4.146 4.320 0.001 0.000 0.216 424 A C 2.003 179.426 177.584 -0.269 0.000 1.181 424 A CA 1.256 53.207 52.037 -0.143 0.000 0.620 424 A CB -0.380 18.575 19.000 -0.075 0.000 0.819 424 A HN 0.341 nan 8.150 nan 0.000 0.442 425 M N -0.700 118.633 119.600 -0.445 0.000 2.117 425 M HA -0.137 4.344 4.480 0.001 0.000 0.262 425 M C 2.099 178.247 176.300 -0.253 0.000 1.065 425 M CA 1.909 56.943 55.300 -0.443 0.000 1.114 425 M CB -1.203 31.040 32.600 -0.595 0.000 1.361 425 M HN 0.711 nan 8.290 nan 0.000 0.408 426 E N 0.425 120.510 120.200 -0.192 0.000 2.051 426 E HA -0.223 4.128 4.350 0.001 0.000 0.192 426 E C 1.419 177.969 176.600 -0.085 0.000 0.991 426 E CA 1.556 57.891 56.400 -0.108 0.000 0.799 426 E CB 0.158 29.820 29.700 -0.063 0.000 0.748 426 E HN 0.361 nan 8.360 nan 0.000 0.449 427 D N 0.151 120.500 120.400 -0.084 0.000 2.117 427 D HA -0.118 4.523 4.640 0.001 0.000 0.198 427 D C 1.810 178.069 176.300 -0.068 0.000 0.982 427 D CA 1.371 55.334 54.000 -0.061 0.000 0.828 427 D CB -0.341 40.430 40.800 -0.049 0.000 0.967 427 D HN 0.308 nan 8.370 nan 0.000 0.464 428 A N 0.666 123.429 122.820 -0.096 0.000 1.969 428 A HA -0.118 4.202 4.320 0.001 0.000 0.218 428 A C 2.265 179.801 177.584 -0.081 0.000 1.169 428 A CA 2.109 54.092 52.037 -0.091 0.000 0.635 428 A CB -0.302 18.626 19.000 -0.121 0.000 0.810 428 A HN 0.320 nan 8.150 nan 0.000 0.445 429 S N -1.723 113.923 115.700 -0.091 0.000 2.492 429 S HA 0.064 4.534 4.470 0.001 0.000 0.218 429 S C 0.641 175.210 174.600 -0.052 0.000 1.016 429 S CA 0.639 58.794 58.200 -0.076 0.000 0.916 429 S CB -0.520 62.624 63.200 -0.094 0.000 0.791 429 S HN 0.630 nan 8.310 nan 0.000 0.513 430 N N -0.084 118.588 118.700 -0.047 0.000 2.741 430 N HA -0.120 4.621 4.740 0.001 0.000 0.251 430 N C -1.013 174.486 175.510 -0.018 0.000 1.112 430 N CA 0.577 53.611 53.050 -0.028 0.000 0.750 430 N CB -1.666 36.808 38.487 -0.021 0.000 1.119 430 N HN 0.348 nan 8.380 nan 0.000 0.561 431 V N 0.707 120.605 119.914 -0.028 0.000 2.407 431 V HA 0.182 4.303 4.120 0.001 0.000 0.278 431 V C 0.397 176.497 176.094 0.010 0.000 1.037 431 V CA -0.541 61.754 62.300 -0.009 0.000 0.900 431 V CB 1.566 33.367 31.823 -0.035 0.000 0.983 431 V HN 0.116 nan 8.190 nan 0.000 0.459 432 D N 4.483 124.915 120.400 0.054 0.000 2.358 432 D HA 0.170 4.810 4.640 0.001 0.000 0.258 432 D C 0.397 176.786 176.300 0.148 0.000 1.223 432 D CA 0.250 54.301 54.000 0.086 0.000 0.886 432 D CB 0.814 41.669 40.800 0.093 0.000 1.120 432 D HN 0.469 nan 8.370 nan 0.000 0.482 433 L N 3.064 124.368 121.223 0.135 0.000 2.910 433 L HA 0.070 4.410 4.340 0.001 0.000 0.252 433 L C 2.033 179.080 176.870 0.296 0.000 1.195 433 L CA -0.167 54.806 54.840 0.222 0.000 1.003 433 L CB -0.004 42.115 42.059 0.100 0.000 1.328 433 L HN 0.357 nan 8.230 nan 0.000 0.540 434 S N -1.315 114.525 115.700 0.233 0.000 2.356 434 S HA -0.285 4.185 4.470 0.001 0.000 0.223 434 S C 1.877 176.651 174.600 0.290 0.000 1.032 434 S CA 1.434 59.758 58.200 0.207 0.000 1.005 434 S CB -0.521 62.759 63.200 0.134 0.000 0.867 434 S HN 0.602 nan 8.310 nan 0.000 0.449 435 H N -0.354 118.840 119.070 0.208 0.000 2.357 435 H HA -0.048 4.508 4.556 0.001 0.000 0.301 435 H C 1.982 177.480 175.328 0.283 0.000 1.082 435 H CA 1.201 57.367 56.048 0.196 0.000 1.342 435 H CB -0.249 29.611 29.762 0.162 0.000 1.389 435 H HN 0.466 nan 8.280 nan 0.000 0.511 436 F N 1.968 122.106 119.950 0.313 0.000 2.192 436 F HA -0.198 4.329 4.527 0.001 0.000 0.301 436 F C 2.400 178.426 175.800 0.377 0.000 1.079 436 F CA 1.319 59.503 58.000 0.308 0.000 1.303 436 F CB -0.186 38.959 39.000 0.242 0.000 1.024 436 F HN 0.035 nan 8.300 nan 0.000 0.494 437 R N -0.216 120.525 120.500 0.402 0.000 2.211 437 R HA -0.220 4.120 4.340 0.001 0.000 0.240 437 R C 2.310 178.768 176.300 0.263 0.000 1.144 437 R CA 1.346 57.654 56.100 0.347 0.000 0.992 437 R CB -0.463 29.969 30.300 0.220 0.000 0.869 437 R HN 0.306 nan 8.270 nan 0.000 0.462 438 R N 0.033 120.606 120.500 0.120 0.000 2.159 438 R HA -0.174 4.166 4.340 0.001 0.000 0.237 438 R C 1.325 177.589 176.300 -0.061 0.000 1.131 438 R CA 1.397 57.506 56.100 0.015 0.000 0.982 438 R CB -0.175 30.100 30.300 -0.041 0.000 0.868 438 R HN 0.309 nan 8.270 nan 0.000 0.453 439 W N -0.613 120.571 121.300 -0.194 0.000 2.364 439 W HA -0.194 4.466 4.660 0.001 0.000 0.281 439 W C 1.400 177.781 176.519 -0.230 0.000 1.219 439 W CA 0.748 57.906 57.345 -0.311 0.000 1.220 439 W CB -0.191 28.873 29.460 -0.660 0.000 1.127 439 W HN 0.173 nan 8.180 nan 0.000 0.556 440 Y N -1.311 119.066 120.300 0.128 0.000 2.395 440 Y HA -0.121 4.429 4.550 0.001 0.000 0.293 440 Y C 2.386 178.346 175.900 0.100 0.000 1.123 440 Y CA 1.382 59.554 58.100 0.120 0.000 1.227 440 Y CB -0.376 38.153 38.460 0.116 0.000 1.012 440 Y HN -0.218 nan 8.280 nan 0.000 0.552 441 S N -1.285 114.537 115.700 0.204 0.000 2.497 441 S HA 0.020 4.491 4.470 0.001 0.000 0.218 441 S C 0.545 175.197 174.600 0.086 0.000 1.023 441 S CA -0.204 58.078 58.200 0.137 0.000 0.913 441 S CB 0.213 63.478 63.200 0.109 0.000 0.800 441 S HN 0.301 nan 8.310 nan 0.000 0.505 442 Q N 2.137 121.963 119.800 0.043 0.000 2.307 442 Q HA 0.455 4.796 4.340 0.001 0.000 0.262 442 Q C -0.424 175.584 176.000 0.013 0.000 0.961 442 Q CA -0.517 55.286 55.803 -0.001 0.000 0.882 442 Q CB 1.107 29.792 28.738 -0.089 0.000 1.264 442 Q HN 0.366 nan 8.270 nan 0.000 0.446 443 S N 2.311 118.028 115.700 0.027 0.000 2.738 443 S HA 0.939 5.410 4.470 0.001 0.000 0.284 443 S C 0.287 174.887 174.600 0.000 0.000 1.146 443 S CA -0.026 58.191 58.200 0.029 0.000 0.997 443 S CB 1.295 64.530 63.200 0.059 0.000 1.081 443 S HN 1.180 nan 8.310 nan 0.000 0.553 444 G N -0.207 108.591 108.800 -0.003 0.000 2.758 444 G HA2 0.010 3.970 3.960 0.001 0.000 0.686 444 G HA3 0.010 3.970 3.960 0.001 0.000 0.686 444 G C -0.552 174.314 174.900 -0.057 0.000 1.389 444 G CA -0.508 44.574 45.100 -0.029 0.000 0.845 444 G HN 1.110 nan 8.290 nan 0.000 0.572 445 T N 3.615 118.092 114.554 -0.128 0.000 2.744 445 T HA 0.596 4.947 4.350 0.001 0.000 0.291 445 T C -2.171 172.436 174.700 -0.154 0.000 0.957 445 T CA -0.683 61.280 62.100 -0.229 0.000 1.002 445 T CB 1.720 70.221 68.868 -0.611 0.000 0.919 445 T HN 0.521 nan 8.240 nan 0.000 0.468 446 P HA 0.287 nan 4.420 nan 0.000 0.271 446 P C -0.595 176.691 177.300 -0.023 0.000 1.218 446 P CA -0.352 62.716 63.100 -0.054 0.000 0.780 446 P CB 0.459 32.141 31.700 -0.030 0.000 0.901 447 I N 2.231 122.795 120.570 -0.009 0.000 2.330 447 I HA 0.236 4.407 4.170 0.001 0.000 0.289 447 I C -0.382 175.763 176.117 0.047 0.000 1.001 447 I CA -0.865 60.453 61.300 0.029 0.000 1.193 447 I CB 1.504 39.512 38.000 0.014 0.000 1.345 447 I HN -0.047 nan 8.210 nan 0.000 0.461 448 V N 5.457 125.428 119.914 0.095 0.000 2.347 448 V HA 0.324 4.445 4.120 0.001 0.000 0.280 448 V C 0.182 176.321 176.094 0.074 0.000 1.021 448 V CA -0.343 62.001 62.300 0.073 0.000 0.847 448 V CB 1.493 33.389 31.823 0.121 0.000 0.990 448 V HN 0.703 nan 8.190 nan 0.000 0.444 449 T N 4.918 119.484 114.554 0.021 0.000 2.771 449 T HA 0.602 4.952 4.350 0.001 0.000 0.281 449 T C -0.312 174.392 174.700 0.007 0.000 0.982 449 T CA -0.341 61.776 62.100 0.028 0.000 0.978 449 T CB 1.542 70.415 68.868 0.009 0.000 0.930 449 T HN 0.345 nan 8.240 nan 0.000 0.447 450 V N 4.347 124.299 119.914 0.064 0.000 2.540 450 V HA 0.515 4.636 4.120 0.001 0.000 0.302 450 V C -0.189 175.979 176.094 0.125 0.000 1.035 450 V CA -0.906 61.449 62.300 0.092 0.000 0.873 450 V CB 1.831 33.750 31.823 0.158 0.000 0.992 450 V HN 0.741 nan 8.190 nan 0.000 0.428 451 K N 3.207 123.644 120.400 0.062 0.000 2.318 451 K HA 0.698 5.019 4.320 0.001 0.000 0.249 451 K C -1.362 175.261 176.600 0.038 0.000 0.942 451 K CA -0.832 55.466 56.287 0.019 0.000 0.808 451 K CB 2.190 34.671 32.500 -0.032 0.000 1.189 451 K HN 0.893 nan 8.250 nan 0.000 0.428 452 D N 0.217 120.642 120.400 0.042 0.000 2.523 452 D HA 0.427 5.067 4.640 0.001 0.000 0.236 452 D C -1.340 174.943 176.300 -0.028 0.000 1.094 452 D CA -0.618 53.359 54.000 -0.038 0.000 0.942 452 D CB 1.884 42.706 40.800 0.037 0.000 1.447 452 D HN 0.421 nan 8.370 nan 0.000 0.479 453 D N -1.075 119.268 120.400 -0.094 0.000 2.990 453 D HA 0.336 4.977 4.640 0.001 0.000 0.227 453 D C -2.047 174.349 176.300 0.160 0.000 1.249 453 D CA -0.587 53.432 54.000 0.031 0.000 0.891 453 D CB 1.298 42.089 40.800 -0.015 0.000 1.647 453 D HN 0.339 nan 8.370 nan 0.000 0.530 454 Y N 3.591 123.966 120.300 0.125 0.000 2.335 454 Y HA 0.512 5.063 4.550 0.001 0.000 0.338 454 Y C -1.054 174.889 175.900 0.070 0.000 0.977 454 Y CA -0.977 57.226 58.100 0.173 0.000 1.114 454 Y CB 1.186 39.748 38.460 0.170 0.000 1.182 454 Y HN 0.358 nan 8.280 nan 0.000 0.463 455 N N 8.575 126.957 118.700 -0.530 0.000 2.501 455 N HA 0.299 5.039 4.740 0.001 0.000 0.245 455 N C -2.262 172.832 175.510 -0.692 0.000 0.974 455 N CA -2.505 50.284 53.050 -0.435 0.000 0.941 455 N CB 1.809 40.164 38.487 -0.219 0.000 1.122 455 N HN 0.411 nan 8.380 nan 0.000 0.507 456 P HA -0.042 nan 4.420 nan 0.000 0.225 456 P C 0.555 177.753 177.300 -0.170 0.000 1.156 456 P CA 0.968 63.862 63.100 -0.343 0.000 0.787 456 P CB 0.729 32.367 31.700 -0.103 0.000 0.802 457 E N 0.052 120.169 120.200 -0.140 0.000 2.077 457 E HA -0.116 4.235 4.350 0.001 0.000 0.193 457 E C 1.734 178.292 176.600 -0.071 0.000 0.989 457 E CA 2.076 58.429 56.400 -0.079 0.000 0.800 457 E CB -0.446 29.215 29.700 -0.064 0.000 0.746 457 E HN 0.389 nan 8.360 nan 0.000 0.452 458 T N -2.513 111.980 114.554 -0.102 0.000 3.040 458 T HA 0.121 4.472 4.350 0.001 0.000 0.250 458 T C 0.201 174.873 174.700 -0.046 0.000 1.058 458 T CA -0.104 61.959 62.100 -0.062 0.000 0.988 458 T CB 0.100 68.935 68.868 -0.055 0.000 0.993 458 T HN 0.094 nan 8.240 nan 0.000 0.519 459 E N 1.195 121.331 120.200 -0.107 0.000 2.297 459 E HA -0.184 4.166 4.350 0.001 0.000 0.228 459 E C -0.623 176.007 176.600 0.050 0.000 1.213 459 E CA 0.254 56.635 56.400 -0.031 0.000 0.712 459 E CB -1.401 28.365 29.700 0.109 0.000 1.202 459 E HN 0.723 nan 8.360 nan 0.000 0.376 460 Q N 0.189 119.964 119.800 -0.043 0.000 2.337 460 Q HA 0.511 4.852 4.340 0.001 0.000 0.266 460 Q C -1.088 175.040 176.000 0.212 0.000 1.023 460 Q CA -0.787 55.079 55.803 0.105 0.000 0.829 460 Q CB 1.809 30.573 28.738 0.043 0.000 1.306 460 Q HN 0.256 nan 8.270 nan 0.000 0.449 461 Y N 1.053 121.502 120.300 0.248 0.000 2.335 461 Y HA 0.409 4.960 4.550 0.001 0.000 0.338 461 Y C -0.980 175.115 175.900 0.324 0.000 0.977 461 Y CA -0.350 57.943 58.100 0.322 0.000 1.114 461 Y CB 1.652 40.316 38.460 0.339 0.000 1.182 461 Y HN 0.460 nan 8.280 nan 0.000 0.463 462 T N 7.591 122.030 114.554 -0.191 0.000 2.792 462 T HA 0.504 4.854 4.350 0.001 0.000 0.280 462 T C -0.759 173.768 174.700 -0.288 0.000 0.990 462 T CA -0.602 61.413 62.100 -0.142 0.000 0.960 462 T CB 0.636 69.457 68.868 -0.078 0.000 0.939 462 T HN 0.507 nan 8.240 nan 0.000 0.439 463 L N 3.277 124.470 121.223 -0.050 0.000 2.287 463 L HA 0.458 4.799 4.340 0.001 0.000 0.287 463 L C 0.188 177.119 176.870 0.102 0.000 1.022 463 L CA -0.679 54.177 54.840 0.027 0.000 0.814 463 L CB 1.366 43.544 42.059 0.198 0.000 1.217 463 L HN 0.599 nan 8.230 nan 0.000 0.420 464 T N 4.879 119.454 114.554 0.035 0.000 2.770 464 T HA 0.562 4.913 4.350 0.001 0.000 0.297 464 T C -0.049 174.666 174.700 0.024 0.000 0.997 464 T CA -0.193 61.920 62.100 0.022 0.000 0.949 464 T CB 0.595 69.451 68.868 -0.020 0.000 0.941 464 T HN 0.272 nan 8.240 nan 0.000 0.457 465 I N 2.527 123.124 120.570 0.046 0.000 2.433 465 I HA 0.436 4.607 4.170 0.001 0.000 0.292 465 I C 0.223 176.328 176.117 -0.021 0.000 1.001 465 I CA -0.626 60.660 61.300 -0.023 0.000 1.119 465 I CB 1.890 39.840 38.000 -0.084 0.000 1.289 465 I HN 0.509 nan 8.210 nan 0.000 0.438 466 S N 4.955 120.630 115.700 -0.042 0.000 2.648 466 S HA 0.673 5.144 4.470 0.001 0.000 0.305 466 S C -0.869 173.714 174.600 -0.028 0.000 1.094 466 S CA -0.802 57.381 58.200 -0.028 0.000 0.983 466 S CB 2.121 65.307 63.200 -0.023 0.000 1.101 466 S HN 0.671 nan 8.310 nan 0.000 0.514 467 Q N 0.406 120.195 119.800 -0.018 0.000 2.377 467 Q HA 0.742 5.083 4.340 0.001 0.000 0.279 467 Q C -1.353 174.634 176.000 -0.022 0.000 1.049 467 Q CA -1.207 54.587 55.803 -0.015 0.000 0.825 467 Q CB 1.983 30.714 28.738 -0.011 0.000 1.401 467 Q HN 0.755 nan 8.270 nan 0.000 0.404 468 R N -0.029 120.456 120.500 -0.026 0.000 2.680 468 R HA 0.679 5.019 4.340 0.001 0.000 0.269 468 R C -1.543 174.729 176.300 -0.047 0.000 1.026 468 R CA -0.727 55.352 56.100 -0.035 0.000 0.889 468 R CB 2.173 32.459 30.300 -0.025 0.000 1.241 468 R HN 0.584 nan 8.270 nan 0.000 0.463 469 T N 3.450 117.969 114.554 -0.059 0.000 2.786 469 T HA 0.410 4.761 4.350 0.001 0.000 0.283 469 T C -2.608 172.066 174.700 -0.044 0.000 0.992 469 T CA -1.517 60.544 62.100 -0.064 0.000 0.954 469 T CB 1.764 70.577 68.868 -0.091 0.000 0.934 469 T HN 0.422 nan 8.240 nan 0.000 0.440 470 P HA 0.303 nan 4.420 nan 0.000 0.269 470 P C -0.352 176.939 177.300 -0.016 0.000 1.209 470 P CA -0.451 62.636 63.100 -0.021 0.000 0.776 470 P CB 0.325 32.015 31.700 -0.017 0.000 0.876 471 A N 2.745 125.561 122.820 -0.007 0.000 2.547 471 A HA 0.411 4.731 4.320 0.001 0.000 0.233 471 A C 0.640 178.231 177.584 0.011 0.000 1.067 471 A CA 0.618 52.657 52.037 0.003 0.000 0.763 471 A CB -0.677 18.328 19.000 0.008 0.000 1.007 471 A HN 0.647 nan 8.150 nan 0.000 0.506 472 T N -1.047 113.521 114.554 0.022 0.000 2.930 472 T HA 0.649 5.000 4.350 0.001 0.000 0.290 472 T C -2.299 172.430 174.700 0.048 0.000 1.052 472 T CA -1.581 60.540 62.100 0.035 0.000 1.017 472 T CB 1.587 70.479 68.868 0.041 0.000 1.137 472 T HN 0.287 nan 8.240 nan 0.000 0.511 473 P HA -0.058 nan 4.420 nan 0.000 0.219 473 P C 1.031 178.376 177.300 0.075 0.000 1.146 473 P CA 1.040 64.177 63.100 0.061 0.000 0.808 473 P CB -0.002 31.736 31.700 0.064 0.000 0.779 474 D N -1.633 118.822 120.400 0.091 0.000 2.348 474 D HA -0.047 4.594 4.640 0.001 0.000 0.211 474 D C 0.466 176.823 176.300 0.096 0.000 0.998 474 D CA 0.507 54.573 54.000 0.111 0.000 0.873 474 D CB 0.005 40.894 40.800 0.148 0.000 0.925 474 D HN 0.225 nan 8.370 nan 0.000 0.524 475 Q N -0.351 119.493 119.800 0.073 0.000 2.374 475 Q HA 0.525 4.866 4.340 0.001 0.000 0.250 475 Q C -0.366 175.657 176.000 0.038 0.000 0.918 475 Q CA -0.403 55.434 55.803 0.057 0.000 0.778 475 Q CB 2.284 31.054 28.738 0.053 0.000 1.328 475 Q HN 0.080 nan 8.270 nan 0.000 0.445 476 A N 2.381 125.222 122.820 0.034 0.000 2.016 476 A HA -0.040 4.281 4.320 0.001 0.000 0.217 476 A C 0.671 178.263 177.584 0.013 0.000 1.162 476 A CA 0.871 52.922 52.037 0.023 0.000 0.662 476 A CB 0.259 19.273 19.000 0.023 0.000 0.812 476 A HN 0.601 nan 8.150 nan 0.000 0.450 477 E N 0.941 121.149 120.200 0.013 0.000 2.175 477 E HA 0.359 4.709 4.350 0.001 0.000 0.278 477 E C -1.071 175.526 176.600 -0.004 0.000 0.969 477 E CA -0.575 55.827 56.400 0.003 0.000 0.796 477 E CB 0.504 30.206 29.700 0.003 0.000 1.104 477 E HN 0.043 nan 8.360 nan 0.000 0.395 478 K N 3.256 123.646 120.400 -0.016 0.000 2.375 478 K HA 0.410 4.730 4.320 0.001 0.000 0.249 478 K C -0.657 175.919 176.600 -0.038 0.000 0.942 478 K CA -0.733 55.535 56.287 -0.032 0.000 0.806 478 K CB 2.205 34.682 32.500 -0.038 0.000 1.227 478 K HN 0.590 nan 8.250 nan 0.000 0.430 479 Q N 1.051 120.819 119.800 -0.053 0.000 2.451 479 Q HA 0.463 4.803 4.340 0.001 0.000 0.281 479 Q C -2.512 173.455 176.000 -0.056 0.000 1.099 479 Q CA -2.199 53.577 55.803 -0.044 0.000 0.806 479 Q CB 2.144 30.864 28.738 -0.030 0.000 1.419 479 Q HN 0.221 nan 8.270 nan 0.000 0.427 480 P HA 0.051 nan 4.420 nan 0.000 0.268 480 P C -0.899 176.427 177.300 0.044 0.000 1.205 480 P CA 0.326 63.428 63.100 0.002 0.000 0.771 480 P CB 0.476 32.206 31.700 0.049 0.000 0.858 481 L N 1.569 122.689 121.223 -0.172 0.000 2.365 481 L HA 0.388 4.729 4.340 0.001 0.000 0.267 481 L C 0.927 177.551 176.870 -0.410 0.000 1.033 481 L CA -0.876 53.668 54.840 -0.494 0.000 0.802 481 L CB 0.776 42.206 42.059 -1.048 0.000 1.267 481 L HN 0.465 nan 8.230 nan 0.000 0.457 482 H N 1.959 120.604 119.070 -0.710 0.000 2.969 482 H HA 0.381 4.938 4.556 0.001 0.000 0.269 482 H C -0.827 174.675 175.328 0.290 0.000 1.223 482 H CA -0.571 55.346 56.048 -0.218 0.000 1.400 482 H CB 0.328 30.023 29.762 -0.112 0.000 1.500 482 H HN 0.346 nan 8.280 nan 0.000 0.486 483 I N 8.309 129.185 120.570 0.510 0.000 2.307 483 I HA 0.204 4.374 4.170 0.001 0.000 0.289 483 I C -2.293 174.084 176.117 0.434 0.000 1.021 483 I CA -2.318 59.280 61.300 0.497 0.000 1.224 483 I CB 1.510 39.737 38.000 0.378 0.000 1.376 483 I HN 0.523 nan 8.210 nan 0.000 0.470 484 P HA 0.084 nan 4.420 nan 0.000 0.276 484 P C -0.841 176.590 177.300 0.218 0.000 1.264 484 P CA 0.091 63.319 63.100 0.214 0.000 0.769 484 P CB 0.077 31.822 31.700 0.076 0.000 0.840 485 F N 3.992 123.977 119.950 0.058 0.000 2.434 485 F HA 0.592 5.120 4.527 0.001 0.000 0.367 485 F C -0.178 175.621 175.800 -0.002 0.000 1.093 485 F CA -0.858 57.156 58.000 0.024 0.000 1.085 485 F CB 0.589 39.594 39.000 0.008 0.000 1.322 485 F HN 0.263 nan 8.300 nan 0.000 0.452 486 A N 7.253 129.916 122.820 -0.262 0.000 2.366 486 A HA 0.673 4.994 4.320 0.001 0.000 0.272 486 A C -0.388 177.066 177.584 -0.217 0.000 1.135 486 A CA -0.360 51.583 52.037 -0.157 0.000 0.804 486 A CB 0.084 19.019 19.000 -0.108 0.000 1.064 486 A HN 0.853 nan 8.150 nan 0.000 0.499 487 I N -1.291 119.226 120.570 -0.089 0.000 3.042 487 I HA 0.910 5.081 4.170 0.001 0.000 0.310 487 I C -0.729 175.346 176.117 -0.070 0.000 1.117 487 I CA -0.857 60.404 61.300 -0.065 0.000 1.003 487 I CB 2.384 40.379 38.000 -0.010 0.000 1.228 487 I HN 0.644 nan 8.210 nan 0.000 0.443 488 E N 3.425 123.588 120.200 -0.063 0.000 2.304 488 E HA 0.564 4.915 4.350 0.001 0.000 0.277 488 E C -2.043 174.417 176.600 -0.233 0.000 0.898 488 E CA -0.654 55.644 56.400 -0.171 0.000 0.764 488 E CB 2.231 31.848 29.700 -0.138 0.000 1.216 488 E HN 0.714 nan 8.360 nan 0.000 0.419 489 L N 4.330 125.321 121.223 -0.387 0.000 2.307 489 L HA 0.514 4.854 4.340 0.001 0.000 0.284 489 L C -1.033 175.562 176.870 -0.458 0.000 1.023 489 L CA -0.893 53.733 54.840 -0.356 0.000 0.810 489 L CB 0.841 42.652 42.059 -0.413 0.000 1.231 489 L HN 0.568 nan 8.230 nan 0.000 0.423 490 Y N 0.719 120.961 120.300 -0.097 0.000 2.364 490 Y HA 0.256 4.807 4.550 0.001 0.000 0.340 490 Y C 0.296 176.141 175.900 -0.092 0.000 0.975 490 Y CA -1.079 57.020 58.100 -0.002 0.000 1.089 490 Y CB 1.506 40.115 38.460 0.249 0.000 1.192 490 Y HN 0.632 nan 8.280 nan 0.000 0.454 491 D N 0.401 120.827 120.400 0.044 0.000 2.440 491 D HA -0.024 4.617 4.640 0.001 0.000 0.269 491 D C 0.868 177.103 176.300 -0.109 0.000 1.249 491 D CA -0.409 53.537 54.000 -0.089 0.000 1.055 491 D CB 0.367 41.122 40.800 -0.075 0.000 1.104 491 D HN 0.556 nan 8.370 nan 0.000 0.561 492 N N -0.219 118.194 118.700 -0.478 0.000 2.364 492 N HA -0.221 4.520 4.740 0.001 0.000 0.183 492 N C 0.811 176.243 175.510 -0.131 0.000 1.022 492 N CA 1.082 53.880 53.050 -0.419 0.000 0.883 492 N CB -0.499 37.448 38.487 -0.901 0.000 0.965 492 N HN 0.809 nan 8.380 nan 0.000 0.438 493 E N -1.052 119.059 120.200 -0.150 0.000 2.474 493 E HA 0.244 4.595 4.350 0.001 0.000 0.195 493 E C 0.595 177.018 176.600 -0.294 0.000 1.039 493 E CA 0.265 56.570 56.400 -0.158 0.000 0.881 493 E CB -0.067 29.571 29.700 -0.103 0.000 0.970 493 E HN 0.297 nan 8.360 nan 0.000 0.486 494 G N 1.703 110.399 108.800 -0.173 0.000 2.132 494 G HA2 -0.273 3.688 3.960 0.001 0.000 0.234 494 G HA3 -0.273 3.688 3.960 0.001 0.000 0.234 494 G C -0.129 174.867 174.900 0.160 0.000 0.989 494 G CA 0.065 45.036 45.100 -0.214 0.000 0.676 494 G HN 0.203 nan 8.290 nan 0.000 0.522 495 K N 0.155 120.636 120.400 0.135 0.000 2.174 495 K HA 0.557 4.878 4.320 0.001 0.000 0.275 495 K C 0.599 177.244 176.600 0.074 0.000 1.015 495 K CA -0.775 55.583 56.287 0.119 0.000 0.933 495 K CB 2.166 34.715 32.500 0.081 0.000 1.025 495 K HN 0.017 nan 8.250 nan 0.000 0.463 496 V N 4.474 124.367 119.914 -0.036 0.000 2.521 496 V HA 0.067 4.187 4.120 0.001 0.000 0.286 496 V C 0.427 176.453 176.094 -0.114 0.000 1.034 496 V CA -0.145 62.009 62.300 -0.243 0.000 1.045 496 V CB 0.266 31.945 31.823 -0.240 0.000 0.974 496 V HN 0.572 nan 8.190 nan 0.000 0.480 497 I N 7.555 128.013 120.570 -0.187 0.000 2.352 497 I HA 0.257 4.427 4.170 0.001 0.000 0.290 497 I C -2.028 174.042 176.117 -0.079 0.000 1.036 497 I CA -1.737 59.493 61.300 -0.117 0.000 1.336 497 I CB 1.155 38.971 38.000 -0.307 0.000 1.407 497 I HN 0.446 nan 8.210 nan 0.000 0.497 498 P HA 0.084 nan 4.420 nan 0.000 0.264 498 P C -0.736 176.587 177.300 0.039 0.000 1.193 498 P CA 0.035 63.155 63.100 0.033 0.000 0.763 498 P CB 0.353 32.101 31.700 0.080 0.000 0.810 499 L N 4.635 125.879 121.223 0.034 0.000 2.281 499 L HA 0.372 4.712 4.340 0.001 0.000 0.285 499 L C 0.829 177.828 176.870 0.215 0.000 1.074 499 L CA 0.065 54.971 54.840 0.110 0.000 0.817 499 L CB 0.150 42.248 42.059 0.064 0.000 1.168 499 L HN 0.506 nan 8.230 nan 0.000 0.434 500 Q N 3.177 123.157 119.800 0.299 0.000 2.522 500 Q HA 0.632 4.972 4.340 0.001 0.000 0.285 500 Q C -1.607 174.534 176.000 0.234 0.000 0.982 500 Q CA -1.227 54.718 55.803 0.235 0.000 0.805 500 Q CB 2.873 31.705 28.738 0.157 0.000 1.457 500 Q HN 0.364 nan 8.270 nan 0.000 0.394 501 K N -0.278 120.217 120.400 0.159 0.000 2.542 501 K HA 0.470 4.791 4.320 0.001 0.000 0.259 501 K C -0.117 176.527 176.600 0.073 0.000 0.932 501 K CA -0.031 56.315 56.287 0.099 0.000 0.820 501 K CB 1.771 34.297 32.500 0.044 0.000 1.345 501 K HN 1.066 nan 8.250 nan 0.000 0.432 502 G N 1.746 110.562 108.800 0.027 0.000 2.283 502 G HA2 -0.258 3.702 3.960 0.001 0.000 0.280 502 G HA3 -0.258 3.702 3.960 0.001 0.000 0.280 502 G C 0.734 175.517 174.900 -0.195 0.000 1.029 502 G CA 1.042 46.128 45.100 -0.023 0.000 0.840 502 G HN 1.444 nan 8.290 nan 0.000 0.505 503 G N -2.241 106.455 108.800 -0.173 0.000 2.159 503 G HA2 -0.187 3.773 3.960 0.001 0.000 0.256 503 G HA3 -0.187 3.773 3.960 0.001 0.000 0.256 503 G C 0.030 174.702 174.900 -0.381 0.000 0.977 503 G CA 0.983 45.915 45.100 -0.280 0.000 0.652 503 G HN 1.539 nan 8.290 nan 0.000 0.531 504 H N 0.097 119.201 119.070 0.057 0.000 2.600 504 H HA 0.526 5.083 4.556 0.001 0.000 0.357 504 H C -2.540 172.834 175.328 0.077 0.000 1.106 504 H CA -2.144 53.938 56.048 0.057 0.000 1.193 504 H CB 2.000 31.791 29.762 0.048 0.000 1.594 504 H HN 0.084 nan 8.280 nan 0.000 0.526 505 P HA -0.004 nan 4.420 nan 0.000 0.269 505 P C -0.706 176.695 177.300 0.169 0.000 1.209 505 P CA -0.123 63.071 63.100 0.157 0.000 0.776 505 P CB 0.759 32.530 31.700 0.118 0.000 0.876 506 V N 3.252 123.280 119.914 0.190 0.000 2.495 506 V HA 0.246 4.367 4.120 0.001 0.000 0.298 506 V C 0.473 176.678 176.094 0.185 0.000 1.031 506 V CA -0.872 61.554 62.300 0.211 0.000 0.871 506 V CB 1.569 33.577 31.823 0.309 0.000 0.988 506 V HN 0.576 nan 8.190 nan 0.000 0.432 507 N N 2.340 121.131 118.700 0.152 0.000 2.458 507 N HA -0.040 4.700 4.740 0.001 0.000 0.258 507 N C 1.399 176.987 175.510 0.129 0.000 1.219 507 N CA 0.752 53.872 53.050 0.116 0.000 0.902 507 N CB 1.487 40.032 38.487 0.097 0.000 1.076 507 N HN 0.841 nan 8.380 nan 0.000 0.455 508 S N 1.699 117.446 115.700 0.078 0.000 2.481 508 S HA -0.030 4.441 4.470 0.001 0.000 0.231 508 S C 0.785 175.413 174.600 0.047 0.000 0.996 508 S CA 0.067 58.296 58.200 0.048 0.000 0.942 508 S CB 0.011 63.211 63.200 -0.001 0.000 0.768 508 S HN 0.283 nan 8.310 nan 0.000 0.520 509 V N 3.715 123.664 119.914 0.059 0.000 2.356 509 V HA 0.314 4.435 4.120 0.001 0.000 0.258 509 V C 0.044 176.201 176.094 0.106 0.000 1.065 509 V CA -0.431 61.909 62.300 0.066 0.000 0.935 509 V CB 0.181 32.036 31.823 0.054 0.000 1.061 509 V HN 0.435 nan 8.190 nan 0.000 0.484 510 L N 4.804 126.083 121.223 0.093 0.000 2.349 510 L HA 0.395 4.735 4.340 0.001 0.000 0.275 510 L C 0.639 177.601 176.870 0.154 0.000 1.115 510 L CA -0.261 54.587 54.840 0.013 0.000 0.820 510 L CB 0.411 42.214 42.059 -0.426 0.000 1.135 510 L HN 0.534 nan 8.230 nan 0.000 0.445 511 N N 2.812 121.669 118.700 0.261 0.000 2.555 511 N HA 0.116 4.856 4.740 0.001 0.000 0.244 511 N C -0.677 175.056 175.510 0.373 0.000 1.114 511 N CA -0.116 53.138 53.050 0.340 0.000 0.963 511 N CB 1.446 40.093 38.487 0.267 0.000 1.276 511 N HN 0.260 nan 8.380 nan 0.000 0.510 512 V N 2.570 122.692 119.914 0.347 0.000 2.338 512 V HA 0.073 4.193 4.120 0.001 0.000 0.255 512 V C 1.513 177.743 176.094 0.227 0.000 1.082 512 V CA 0.101 62.583 62.300 0.302 0.000 0.951 512 V CB 0.199 32.122 31.823 0.167 0.000 1.102 512 V HN 0.650 nan 8.190 nan 0.000 0.489 513 T N 0.528 115.186 114.554 0.174 0.000 2.975 513 T HA 0.249 4.599 4.350 0.001 0.000 0.257 513 T C 0.570 175.379 174.700 0.180 0.000 1.003 513 T CA -0.256 61.950 62.100 0.177 0.000 0.932 513 T CB 0.516 69.455 68.868 0.119 0.000 1.087 513 T HN 0.432 nan 8.240 nan 0.000 0.512 514 Q N 0.259 120.111 119.800 0.087 0.000 2.240 514 Q HA 0.763 5.104 4.340 0.001 0.000 0.260 514 Q C 1.316 177.326 176.000 0.017 0.000 1.018 514 Q CA -0.162 55.658 55.803 0.028 0.000 0.898 514 Q CB 1.519 30.245 28.738 -0.020 0.000 1.301 514 Q HN 0.205 nan 8.270 nan 0.000 0.469 515 A N 0.579 123.395 122.820 -0.007 0.000 1.933 515 A HA -0.132 4.189 4.320 0.001 0.000 0.218 515 A C 0.612 178.184 177.584 -0.020 0.000 1.175 515 A CA 1.567 53.594 52.037 -0.016 0.000 0.628 515 A CB 0.118 19.103 19.000 -0.025 0.000 0.814 515 A HN 0.645 nan 8.150 nan 0.000 0.444 516 E N -0.571 119.612 120.200 -0.030 0.000 2.343 516 E HA 0.419 4.770 4.350 0.001 0.000 0.278 516 E C -1.631 174.930 176.600 -0.064 0.000 0.910 516 E CA -0.760 55.617 56.400 -0.038 0.000 0.757 516 E CB 1.075 30.750 29.700 -0.043 0.000 1.218 516 E HN 0.457 nan 8.360 nan 0.000 0.435 517 Q N 1.706 121.459 119.800 -0.078 0.000 2.472 517 Q HA 0.363 4.703 4.340 0.001 0.000 0.281 517 Q C -1.460 174.400 176.000 -0.232 0.000 0.997 517 Q CA -0.845 54.842 55.803 -0.194 0.000 0.828 517 Q CB 1.882 30.453 28.738 -0.278 0.000 1.443 517 Q HN 0.423 nan 8.270 nan 0.000 0.390 518 T N 1.017 115.360 114.554 -0.351 0.000 2.895 518 T HA 0.755 5.106 4.350 0.001 0.000 0.283 518 T C -1.497 172.874 174.700 -0.548 0.000 1.014 518 T CA -0.292 61.642 62.100 -0.277 0.000 1.037 518 T CB 0.372 69.138 68.868 -0.171 0.000 1.006 518 T HN 0.371 nan 8.240 nan 0.000 0.468 519 F N 3.065 122.945 119.950 -0.117 0.000 2.518 519 F HA 0.608 5.135 4.527 0.001 0.000 0.323 519 F C -0.255 175.323 175.800 -0.370 0.000 1.129 519 F CA -0.902 56.955 58.000 -0.238 0.000 0.920 519 F CB 2.011 40.936 39.000 -0.124 0.000 1.160 519 F HN 0.200 nan 8.300 nan 0.000 0.440 520 V N 3.955 123.645 119.914 -0.374 0.000 2.555 520 V HA 0.496 4.617 4.120 0.001 0.000 0.302 520 V C -0.801 174.987 176.094 -0.509 0.000 1.038 520 V CA -0.973 61.153 62.300 -0.290 0.000 0.887 520 V CB 1.706 33.448 31.823 -0.134 0.000 0.991 520 V HN 0.483 nan 8.190 nan 0.000 0.434 521 F N 2.819 122.865 119.950 0.161 0.000 2.507 521 F HA 0.622 5.150 4.527 0.001 0.000 0.325 521 F C 0.091 175.981 175.800 0.149 0.000 1.116 521 F CA -0.887 57.215 58.000 0.170 0.000 0.930 521 F CB 1.756 40.888 39.000 0.219 0.000 1.146 521 F HN 0.667 nan 8.300 nan 0.000 0.447 522 D N -0.254 120.303 120.400 0.262 0.000 2.494 522 D HA 0.276 4.917 4.640 0.001 0.000 0.259 522 D C -0.137 176.280 176.300 0.195 0.000 1.109 522 D CA -0.838 53.275 54.000 0.188 0.000 1.040 522 D CB 0.439 41.305 40.800 0.109 0.000 1.175 522 D HN 0.549 nan 8.370 nan 0.000 0.584 523 N N -1.559 117.240 118.700 0.165 0.000 2.721 523 N HA -0.129 4.611 4.740 0.001 0.000 0.249 523 N C -0.886 174.758 175.510 0.223 0.000 1.072 523 N CA 0.400 53.564 53.050 0.189 0.000 0.710 523 N CB -0.948 37.639 38.487 0.167 0.000 0.993 523 N HN 0.267 nan 8.380 nan 0.000 0.547 524 V N 2.500 122.541 119.914 0.212 0.000 2.322 524 V HA 0.052 4.173 4.120 0.001 0.000 0.258 524 V C 1.143 177.353 176.094 0.193 0.000 1.074 524 V CA -0.435 61.942 62.300 0.128 0.000 0.909 524 V CB -0.387 31.577 31.823 0.234 0.000 1.090 524 V HN 0.319 nan 8.190 nan 0.000 0.486 525 Y N 2.867 123.285 120.300 0.196 0.000 2.516 525 Y HA 0.337 4.887 4.550 0.001 0.000 0.291 525 Y C 0.326 176.382 175.900 0.260 0.000 1.131 525 Y CA -0.266 57.957 58.100 0.206 0.000 1.281 525 Y CB -0.225 38.324 38.460 0.148 0.000 1.013 525 Y HN 0.385 nan 8.280 nan 0.000 0.554 526 F N 1.277 121.093 119.950 -0.223 0.000 2.601 526 F HA 0.333 4.860 4.527 0.001 0.000 0.309 526 F C -0.428 174.936 175.800 -0.727 0.000 1.089 526 F CA -1.905 55.934 58.000 -0.269 0.000 0.940 526 F CB 1.562 40.465 39.000 -0.162 0.000 1.273 526 F HN -0.168 nan 8.300 nan 0.000 0.450 527 Q N 6.484 125.496 119.800 -1.313 0.000 2.264 527 Q HA 0.157 4.497 4.340 0.001 0.000 0.296 527 Q C -2.388 173.280 176.000 -0.555 0.000 1.103 527 Q CA -1.297 53.709 55.803 -1.327 0.000 0.967 527 Q CB 0.535 28.731 28.738 -0.903 0.000 1.090 527 Q HN 0.181 nan 8.270 nan 0.000 0.379 528 P HA 0.103 nan 4.420 nan 0.000 0.281 528 P C -1.096 176.026 177.300 -0.298 0.000 1.249 528 P CA -0.395 62.438 63.100 -0.446 0.000 0.810 528 P CB 1.041 32.316 31.700 -0.709 0.000 1.008 529 V N 4.323 124.120 119.914 -0.195 0.000 2.364 529 V HA 0.291 4.411 4.120 0.001 0.000 0.272 529 V C -1.883 174.275 176.094 0.107 0.000 1.036 529 V CA -1.652 60.603 62.300 -0.074 0.000 0.880 529 V CB 0.951 32.597 31.823 -0.295 0.000 0.991 529 V HN 0.594 nan 8.190 nan 0.000 0.460 530 P HA 0.466 nan 4.420 nan 0.000 0.288 530 P C -0.963 176.537 177.300 0.334 0.000 1.267 530 P CA -0.543 62.642 63.100 0.141 0.000 0.815 530 P CB 1.747 33.466 31.700 0.032 0.000 0.989 531 A N 4.349 127.362 122.820 0.321 0.000 2.260 531 A HA 0.642 4.962 4.320 0.001 0.000 0.314 531 A C -0.342 177.359 177.584 0.195 0.000 1.257 531 A CA -0.685 51.540 52.037 0.314 0.000 0.871 531 A CB 0.025 19.235 19.000 0.350 0.000 1.166 531 A HN 0.504 nan 8.150 nan 0.000 0.522 532 L N 2.123 123.479 121.223 0.222 0.000 2.342 532 L HA 0.519 4.860 4.340 0.001 0.000 0.271 532 L C 0.016 176.830 176.870 -0.093 0.000 1.008 532 L CA -1.091 53.774 54.840 0.041 0.000 0.818 532 L CB 1.654 43.814 42.059 0.167 0.000 1.296 532 L HN 0.705 nan 8.230 nan 0.000 0.427 533 L N 2.173 123.020 121.223 -0.627 0.000 3.660 533 L HA -0.222 4.119 4.340 0.001 0.000 0.440 533 L C -0.193 176.632 176.870 -0.075 0.000 1.262 533 L CA 0.248 54.802 54.840 -0.477 0.000 0.837 533 L CB -1.162 40.809 42.059 -0.146 0.000 1.689 533 L HN 0.718 nan 8.230 nan 0.000 0.890 534 C N 1.438 120.693 119.300 -0.077 0.000 2.634 534 C HA 0.100 4.560 4.460 0.001 0.000 0.417 534 C C 1.882 176.883 174.990 0.019 0.000 1.334 534 C CA 0.378 59.440 59.018 0.074 0.000 1.829 534 C CB -0.142 27.625 27.740 0.046 0.000 2.665 534 C HN 0.844 nan 8.230 nan 0.000 0.614 535 E N 0.472 120.679 120.200 0.012 0.000 2.604 535 E HA -0.293 4.057 4.350 0.001 0.000 0.255 535 E C 0.141 176.489 176.600 -0.420 0.000 1.164 535 E CA 0.633 56.761 56.400 -0.453 0.000 0.737 535 E CB -1.277 28.290 29.700 -0.222 0.000 1.317 535 E HN 0.806 nan 8.360 nan 0.000 0.417 536 F N -0.351 119.393 119.950 -0.342 0.000 2.797 536 F HA -0.300 4.228 4.527 0.001 0.000 0.273 536 F C 1.358 177.099 175.800 -0.099 0.000 1.020 536 F CA 0.928 58.861 58.000 -0.111 0.000 0.961 536 F CB -1.490 37.428 39.000 -0.135 0.000 1.020 536 F HN 0.205 nan 8.300 nan 0.000 0.840 537 S N 0.395 115.993 115.700 -0.170 0.000 2.507 537 S HA 0.461 4.932 4.470 0.001 0.000 0.235 537 S C 0.853 175.328 174.600 -0.208 0.000 0.988 537 S CA 0.522 58.624 58.200 -0.164 0.000 0.944 537 S CB 0.071 63.193 63.200 -0.131 0.000 0.762 537 S HN 1.616 nan 8.310 nan 0.000 0.526 538 A N 1.443 124.054 122.820 -0.349 0.000 2.520 538 A HA 0.674 4.994 4.320 0.001 0.000 0.298 538 A C -3.164 174.055 177.584 -0.607 0.000 1.051 538 A CA -1.820 50.021 52.037 -0.327 0.000 0.690 538 A CB 1.164 20.166 19.000 0.003 0.000 1.281 538 A HN 0.125 nan 8.150 nan 0.000 0.402 539 P HA 0.317 nan 4.420 nan 0.000 0.244 539 P C -0.313 177.082 177.300 0.158 0.000 1.769 539 P CA 0.286 63.280 63.100 -0.177 0.000 1.102 539 P CB -0.290 31.453 31.700 0.070 0.000 1.937 540 V N -0.450 119.544 119.914 0.133 0.000 3.130 540 V HA 0.588 4.709 4.120 0.001 0.000 0.310 540 V C -0.474 175.845 176.094 0.375 0.000 1.158 540 V CA -1.568 60.854 62.300 0.203 0.000 1.029 540 V CB 2.531 34.474 31.823 0.201 0.000 1.057 540 V HN -0.041 nan 8.190 nan 0.000 0.436 541 K N 2.056 122.589 120.400 0.221 0.000 2.258 541 K HA 0.628 4.948 4.320 0.001 0.000 0.284 541 K C -0.944 175.824 176.600 0.281 0.000 1.051 541 K CA -0.447 56.022 56.287 0.303 0.000 0.923 541 K CB 1.537 34.131 32.500 0.157 0.000 1.046 541 K HN 0.653 nan 8.250 nan 0.000 0.474 542 L N 2.960 124.388 121.223 0.341 0.000 2.275 542 L HA 0.220 4.561 4.340 0.001 0.000 0.288 542 L C -0.838 176.201 176.870 0.282 0.000 1.046 542 L CA 0.177 55.221 54.840 0.340 0.000 0.805 542 L CB 0.989 43.304 42.059 0.427 0.000 1.193 542 L HN 0.565 nan 8.230 nan 0.000 0.426 543 E N 5.465 125.795 120.200 0.217 0.000 2.102 543 E HA 0.281 4.632 4.350 0.001 0.000 0.263 543 E C -1.846 174.842 176.600 0.146 0.000 0.894 543 E CA -0.365 56.129 56.400 0.156 0.000 0.746 543 E CB 1.441 31.192 29.700 0.086 0.000 1.129 543 E HN 0.547 nan 8.360 nan 0.000 0.416 544 Y N 1.497 121.757 120.300 -0.067 0.000 2.504 544 Y HA 0.236 4.787 4.550 0.001 0.000 0.344 544 Y C -0.780 174.908 175.900 -0.352 0.000 1.023 544 Y CA -1.071 56.850 58.100 -0.299 0.000 1.020 544 Y CB 1.536 39.644 38.460 -0.585 0.000 1.282 544 Y HN 0.195 nan 8.280 nan 0.000 0.454 545 K N 6.349 126.204 120.400 -0.908 0.000 2.307 545 K HA 0.133 4.453 4.320 0.001 0.000 0.240 545 K C -1.204 175.111 176.600 -0.475 0.000 1.214 545 K CA -0.259 55.715 56.287 -0.521 0.000 1.149 545 K CB -0.051 32.210 32.500 -0.398 0.000 1.668 545 K HN 0.649 nan 8.250 nan 0.000 0.314 546 W N 1.608 122.895 121.300 -0.020 0.000 2.193 546 W HA -0.072 4.589 4.660 0.001 0.000 0.338 546 W C 1.128 177.687 176.519 0.066 0.000 1.310 546 W CA -0.402 57.040 57.345 0.163 0.000 1.243 546 W CB 0.447 30.034 29.460 0.212 0.000 1.165 546 W HN 0.373 nan 8.180 nan 0.000 0.566 547 S N 1.073 116.993 115.700 0.367 0.000 2.646 547 S HA 0.148 4.619 4.470 0.001 0.000 0.276 547 S C 0.618 175.364 174.600 0.243 0.000 1.222 547 S CA -0.692 57.646 58.200 0.231 0.000 1.014 547 S CB 1.530 64.822 63.200 0.154 0.000 0.991 547 S HN 0.518 nan 8.310 nan 0.000 0.533 548 D N 0.728 121.249 120.400 0.201 0.000 2.123 548 D HA -0.143 4.497 4.640 0.001 0.000 0.196 548 D C 1.906 178.285 176.300 0.133 0.000 0.992 548 D CA 1.294 55.419 54.000 0.209 0.000 0.833 548 D CB -0.280 40.715 40.800 0.324 0.000 0.954 548 D HN 0.678 nan 8.370 nan 0.000 0.455 549 Q N 0.659 120.512 119.800 0.088 0.000 2.061 549 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 549 Q C 2.012 178.089 176.000 0.129 0.000 0.984 549 Q CA 1.504 57.351 55.803 0.073 0.000 0.846 549 Q CB -0.145 28.617 28.738 0.039 0.000 0.902 549 Q HN 0.439 nan 8.270 nan 0.000 0.421 550 Q N -0.062 119.834 119.800 0.161 0.000 2.061 550 Q HA -0.157 4.184 4.340 0.001 0.000 0.204 550 Q C 2.393 178.485 176.000 0.152 0.000 0.984 550 Q CA 1.652 57.581 55.803 0.209 0.000 0.846 550 Q CB -0.127 28.866 28.738 0.425 0.000 0.902 550 Q HN 0.387 nan 8.270 nan 0.000 0.421 551 L N 0.104 121.352 121.223 0.042 0.000 2.056 551 L HA -0.170 4.171 4.340 0.001 0.000 0.207 551 L C 2.753 179.562 176.870 -0.102 0.000 1.078 551 L CA 1.602 56.347 54.840 -0.157 0.000 0.749 551 L CB -0.877 41.056 42.059 -0.211 0.000 0.901 551 L HN 0.414 nan 8.230 nan 0.000 0.433 552 T N -2.826 111.715 114.554 -0.021 0.000 2.904 552 T HA -0.222 4.129 4.350 0.001 0.000 0.267 552 T C 1.733 176.413 174.700 -0.033 0.000 1.059 552 T CA 0.789 62.853 62.100 -0.060 0.000 1.137 552 T CB -0.686 68.166 68.868 -0.028 0.000 0.879 552 T HN 0.257 nan 8.240 nan 0.000 0.467 553 F N 2.026 121.932 119.950 -0.073 0.000 2.095 553 F HA 0.065 4.593 4.527 0.001 0.000 0.298 553 F C 1.956 177.701 175.800 -0.092 0.000 1.104 553 F CA 1.208 59.201 58.000 -0.013 0.000 1.232 553 F CB -0.326 38.699 39.000 0.041 0.000 0.987 553 F HN 0.064 nan 8.300 nan 0.000 0.475 554 L N -0.368 120.884 121.223 0.048 0.000 2.093 554 L HA -0.238 4.103 4.340 0.001 0.000 0.208 554 L C 2.512 179.220 176.870 -0.272 0.000 1.085 554 L CA 1.318 56.061 54.840 -0.161 0.000 0.755 554 L CB -0.610 41.366 42.059 -0.138 0.000 0.904 554 L HN 0.242 nan 8.230 nan 0.000 0.435 555 M N -1.015 118.429 119.600 -0.260 0.000 2.202 555 M HA -0.232 4.249 4.480 0.001 0.000 0.262 555 M C 2.401 178.506 176.300 -0.325 0.000 1.063 555 M CA 1.678 56.808 55.300 -0.284 0.000 1.097 555 M CB -0.261 32.156 32.600 -0.306 0.000 1.382 555 M HN 0.132 nan 8.290 nan 0.000 0.413 556 R N -1.208 119.034 120.500 -0.430 0.000 2.080 556 R HA -0.044 4.296 4.340 0.001 0.000 0.222 556 R C 1.673 177.530 176.300 -0.739 0.000 1.107 556 R CA 0.955 56.681 56.100 -0.624 0.000 0.980 556 R CB 0.238 30.034 30.300 -0.840 0.000 0.879 556 R HN 0.427 nan 8.270 nan 0.000 0.439 557 H N -1.457 117.289 119.070 -0.541 0.000 3.058 557 H HA 0.309 4.866 4.556 0.001 0.000 0.258 557 H C -0.030 174.983 175.328 -0.524 0.000 1.015 557 H CA 0.290 55.982 56.048 -0.593 0.000 1.210 557 H CB 0.487 29.641 29.762 -1.013 0.000 1.481 557 H HN 0.119 nan 8.280 nan 0.000 0.492 558 A N 1.780 124.348 122.820 -0.421 0.000 2.540 558 A HA 0.021 4.341 4.320 0.001 0.000 0.239 558 A C 1.469 179.030 177.584 -0.038 0.000 1.061 558 A CA -0.066 51.777 52.037 -0.323 0.000 0.758 558 A CB 0.348 19.236 19.000 -0.187 0.000 0.991 558 A HN 0.339 nan 8.150 nan 0.000 0.502 559 R N 1.255 121.857 120.500 0.170 0.000 2.075 559 R HA -0.072 4.269 4.340 0.001 0.000 0.232 559 R C 0.563 176.922 176.300 0.098 0.000 1.126 559 R CA 0.908 57.096 56.100 0.148 0.000 0.963 559 R CB -0.049 30.367 30.300 0.193 0.000 0.858 559 R HN 0.819 nan 8.270 nan 0.000 0.435 560 N N 1.091 119.864 118.700 0.122 0.000 2.455 560 N HA -0.034 4.707 4.740 0.001 0.000 0.280 560 N C -0.243 175.331 175.510 0.107 0.000 1.055 560 N CA -0.012 53.108 53.050 0.117 0.000 0.961 560 N CB 1.476 40.058 38.487 0.159 0.000 1.121 560 N HN -0.053 nan 8.380 nan 0.000 0.476 561 D N 2.242 122.693 120.400 0.085 0.000 2.158 561 D HA -0.192 4.448 4.640 0.001 0.000 0.197 561 D C 1.380 177.747 176.300 0.111 0.000 0.995 561 D CA 1.062 55.101 54.000 0.065 0.000 0.846 561 D CB -0.186 40.638 40.800 0.039 0.000 0.941 561 D HN 0.613 nan 8.370 nan 0.000 0.456 562 F N 1.414 121.393 119.950 0.048 0.000 2.126 562 F HA -0.229 4.299 4.527 0.001 0.000 0.299 562 F C 2.352 178.257 175.800 0.175 0.000 1.096 562 F CA 1.322 59.383 58.000 0.103 0.000 1.255 562 F CB -0.144 38.898 39.000 0.071 0.000 0.997 562 F HN -0.167 nan 8.300 nan 0.000 0.479 563 S N 0.428 116.223 115.700 0.158 0.000 2.382 563 S HA -0.175 4.295 4.470 0.001 0.000 0.228 563 S C 1.905 176.437 174.600 -0.114 0.000 1.027 563 S CA 1.341 59.565 58.200 0.041 0.000 0.991 563 S CB -0.311 62.961 63.200 0.120 0.000 0.823 563 S HN 0.424 nan 8.310 nan 0.000 0.469 564 R N -0.399 120.050 120.500 -0.085 0.000 2.075 564 R HA -0.111 4.229 4.340 0.001 0.000 0.232 564 R C 2.134 178.347 176.300 -0.145 0.000 1.126 564 R CA 1.568 57.587 56.100 -0.134 0.000 0.963 564 R CB -0.373 29.864 30.300 -0.105 0.000 0.858 564 R HN 0.537 nan 8.270 nan 0.000 0.435 565 W N 2.389 123.512 121.300 -0.295 0.000 2.381 565 W HA -0.180 4.481 4.660 0.001 0.000 0.301 565 W C 1.667 177.967 176.519 -0.366 0.000 1.205 565 W CA 1.652 58.816 57.345 -0.302 0.000 1.285 565 W CB -0.306 28.966 29.460 -0.312 0.000 1.133 565 W HN 0.007 nan 8.180 nan 0.000 0.521 566 D N 0.013 120.123 120.400 -0.483 0.000 2.144 566 D HA -0.167 4.473 4.640 0.001 0.000 0.199 566 D C 2.266 178.243 176.300 -0.539 0.000 0.984 566 D CA 1.984 55.591 54.000 -0.654 0.000 0.834 566 D CB -0.553 39.950 40.800 -0.495 0.000 0.955 566 D HN 0.157 nan 8.370 nan 0.000 0.465 567 A N 0.509 123.062 122.820 -0.445 0.000 1.902 567 A HA -0.006 4.315 4.320 0.001 0.000 0.217 567 A C 2.360 179.690 177.584 -0.422 0.000 1.181 567 A CA 2.203 53.962 52.037 -0.464 0.000 0.623 567 A CB -0.941 17.825 19.000 -0.390 0.000 0.818 567 A HN 0.284 nan 8.150 nan 0.000 0.443 568 A N -1.133 121.434 122.820 -0.422 0.000 1.933 568 A HA -0.166 4.154 4.320 0.001 0.000 0.218 568 A C 2.098 179.497 177.584 -0.309 0.000 1.175 568 A CA 1.688 53.518 52.037 -0.345 0.000 0.628 568 A CB -0.407 18.389 19.000 -0.340 0.000 0.814 568 A HN 0.490 nan 8.150 nan 0.000 0.444 569 Q N 0.119 119.581 119.800 -0.564 0.000 2.079 569 Q HA -0.077 4.263 4.340 0.001 0.000 0.200 569 Q C 2.384 178.214 176.000 -0.283 0.000 0.974 569 Q CA 1.749 57.246 55.803 -0.511 0.000 0.840 569 Q CB -0.841 27.398 28.738 -0.831 0.000 0.898 569 Q HN 0.624 nan 8.270 nan 0.000 0.430 570 S N 1.228 116.752 115.700 -0.293 0.000 2.382 570 S HA -0.107 4.364 4.470 0.001 0.000 0.228 570 S C 1.894 176.427 174.600 -0.112 0.000 1.027 570 S CA 0.756 58.841 58.200 -0.192 0.000 0.991 570 S CB -0.244 62.750 63.200 -0.342 0.000 0.823 570 S HN 0.220 nan 8.310 nan 0.000 0.469 571 L N 1.455 122.611 121.223 -0.110 0.000 2.017 571 L HA -0.006 4.335 4.340 0.001 0.000 0.208 571 L C 1.917 178.884 176.870 0.163 0.000 1.073 571 L CA 1.526 56.397 54.840 0.051 0.000 0.745 571 L CB -0.682 41.404 42.059 0.045 0.000 0.894 571 L HN 0.179 nan 8.230 nan 0.000 0.432 572 L N -0.190 121.097 121.223 0.108 0.000 2.046 572 L HA -0.109 4.232 4.340 0.001 0.000 0.208 572 L C 2.734 179.639 176.870 0.058 0.000 1.077 572 L CA 1.910 56.821 54.840 0.118 0.000 0.747 572 L CB -1.885 40.199 42.059 0.041 0.000 0.896 572 L HN 0.381 nan 8.230 nan 0.000 0.432 573 A N -1.164 121.644 122.820 -0.020 0.000 1.892 573 A HA -0.288 4.033 4.320 0.001 0.000 0.218 573 A C 2.353 179.875 177.584 -0.103 0.000 1.188 573 A CA 2.594 54.592 52.037 -0.065 0.000 0.631 573 A CB -1.107 17.850 19.000 -0.073 0.000 0.822 573 A HN 0.449 nan 8.150 nan 0.000 0.447 574 T N -1.248 113.216 114.554 -0.150 0.000 2.699 574 T HA -0.193 4.157 4.350 0.001 0.000 0.268 574 T C 1.658 176.085 174.700 -0.455 0.000 1.036 574 T CA 2.066 63.958 62.100 -0.347 0.000 1.147 574 T CB -0.450 68.104 68.868 -0.523 0.000 0.862 574 T HN 0.610 nan 8.240 nan 0.000 0.446 575 Y N 0.184 120.493 120.300 0.014 0.000 2.475 575 Y HA 0.298 4.849 4.550 0.001 0.000 0.289 575 Y C 2.065 177.980 175.900 0.026 0.000 1.121 575 Y CA -0.376 57.733 58.100 0.014 0.000 1.257 575 Y CB -0.485 37.972 38.460 -0.004 0.000 1.026 575 Y HN 0.190 nan 8.280 nan 0.000 0.555 576 I N 0.094 120.731 120.570 0.111 0.000 2.202 576 I HA -0.305 3.866 4.170 0.001 0.000 0.242 576 I C 2.172 178.401 176.117 0.187 0.000 1.091 576 I CA 1.505 62.879 61.300 0.124 0.000 1.368 576 I CB -0.284 37.773 38.000 0.096 0.000 1.058 576 I HN 0.105 nan 8.210 nan 0.000 0.410 577 K N 0.301 120.751 120.400 0.083 0.000 2.026 577 K HA -0.213 4.107 4.320 0.001 0.000 0.208 577 K C 2.117 178.805 176.600 0.148 0.000 1.048 577 K CA 1.334 57.693 56.287 0.119 0.000 0.929 577 K CB -0.393 32.040 32.500 -0.111 0.000 0.713 577 K HN 0.127 nan 8.250 nan 0.000 0.439 578 L N 2.091 123.350 121.223 0.059 0.000 2.012 578 L HA -0.211 4.129 4.340 0.001 0.000 0.210 578 L C 1.547 178.487 176.870 0.115 0.000 1.073 578 L CA 1.850 56.735 54.840 0.074 0.000 0.748 578 L CB -0.478 41.629 42.059 0.080 0.000 0.891 578 L HN 0.189 nan 8.230 nan 0.000 0.431 579 N N -1.075 117.704 118.700 0.132 0.000 2.409 579 N HA -0.056 4.685 4.740 0.001 0.000 0.179 579 N C 1.823 177.403 175.510 0.117 0.000 1.032 579 N CA 1.228 54.349 53.050 0.118 0.000 0.898 579 N CB 0.052 38.602 38.487 0.104 0.000 0.971 579 N HN 0.277 nan 8.380 nan 0.000 0.441 580 V N 1.742 121.731 119.914 0.126 0.000 2.358 580 V HA -0.175 3.945 4.120 0.001 0.000 0.246 580 V C 2.485 178.623 176.094 0.072 0.000 1.047 580 V CA 1.786 64.115 62.300 0.049 0.000 1.035 580 V CB -0.787 31.003 31.823 -0.056 0.000 0.658 580 V HN 0.243 nan 8.190 nan 0.000 0.452 581 A N -0.076 122.811 122.820 0.110 0.000 1.902 581 A HA -0.233 4.087 4.320 0.001 0.000 0.217 581 A C 2.360 179.990 177.584 0.077 0.000 1.181 581 A CA 1.837 53.927 52.037 0.088 0.000 0.623 581 A CB -0.482 18.574 19.000 0.093 0.000 0.818 581 A HN 0.516 nan 8.150 nan 0.000 0.443 582 R N -1.558 118.993 120.500 0.085 0.000 2.073 582 R HA -0.149 4.192 4.340 0.001 0.000 0.234 582 R C 2.342 178.679 176.300 0.063 0.000 1.134 582 R CA 1.354 57.493 56.100 0.066 0.000 0.952 582 R CB -0.620 29.721 30.300 0.068 0.000 0.850 582 R HN 0.762 nan 8.270 nan 0.000 0.433 583 H N 1.472 120.542 119.070 0.001 0.000 2.352 583 H HA -0.147 4.410 4.556 0.001 0.000 0.299 583 H C 1.680 176.998 175.328 -0.017 0.000 1.097 583 H CA 1.866 57.906 56.048 -0.013 0.000 1.311 583 H CB 0.201 29.947 29.762 -0.026 0.000 1.377 583 H HN 0.313 nan 8.280 nan 0.000 0.504 584 Q N -0.057 119.819 119.800 0.126 0.000 2.226 584 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 584 Q C 1.767 177.764 176.000 -0.005 0.000 0.975 584 Q CA 1.250 57.093 55.803 0.066 0.000 0.866 584 Q CB 0.092 28.864 28.738 0.057 0.000 0.915 584 Q HN 0.636 nan 8.270 nan 0.000 0.440 585 Q N -0.951 118.842 119.800 -0.011 0.000 2.280 585 Q HA 0.156 4.497 4.340 0.001 0.000 0.201 585 Q C 0.543 176.513 176.000 -0.050 0.000 0.890 585 Q CA 0.315 56.106 55.803 -0.020 0.000 0.947 585 Q CB 0.897 29.635 28.738 0.000 0.000 1.081 585 Q HN 0.455 nan 8.270 nan 0.000 0.502 586 G N 1.195 109.933 108.800 -0.104 0.000 2.160 586 G HA2 -0.303 3.658 3.960 0.001 0.000 0.251 586 G HA3 -0.303 3.658 3.960 0.001 0.000 0.251 586 G C -0.274 174.571 174.900 -0.092 0.000 1.008 586 G CA 0.021 45.041 45.100 -0.134 0.000 0.724 586 G HN 0.326 nan 8.290 nan 0.000 0.514 587 Q N 0.336 120.098 119.800 -0.064 0.000 2.274 587 Q HA 0.596 4.936 4.340 0.001 0.000 0.260 587 Q C -1.974 174.019 176.000 -0.012 0.000 0.974 587 Q CA -1.883 53.904 55.803 -0.027 0.000 0.876 587 Q CB 2.476 31.212 28.738 -0.004 0.000 1.297 587 Q HN 0.295 nan 8.270 nan 0.000 0.446 588 P HA 0.052 nan 4.420 nan 0.000 0.277 588 P C -0.715 176.598 177.300 0.022 0.000 1.271 588 P CA -0.641 62.464 63.100 0.008 0.000 0.795 588 P CB 0.726 32.426 31.700 0.001 0.000 1.101 589 L N 0.592 121.828 121.223 0.023 0.000 2.525 589 L HA 0.126 4.467 4.340 0.001 0.000 0.278 589 L C 0.451 177.329 176.870 0.012 0.000 1.218 589 L CA 1.027 55.881 54.840 0.023 0.000 0.878 589 L CB 0.151 42.214 42.059 0.006 0.000 1.127 589 L HN 0.396 nan 8.230 nan 0.000 0.492 590 S N 5.104 120.819 115.700 0.025 0.000 2.561 590 S HA 0.741 5.211 4.470 0.001 0.000 0.303 590 S C -1.218 173.375 174.600 -0.012 0.000 1.110 590 S CA -0.695 57.512 58.200 0.012 0.000 1.034 590 S CB 1.013 64.238 63.200 0.041 0.000 1.010 590 S HN 0.579 nan 8.310 nan 0.000 0.482 591 L N 6.139 127.305 121.223 -0.094 0.000 2.516 591 L HA 0.640 4.981 4.340 0.001 0.000 0.267 591 L C -2.567 174.126 176.870 -0.295 0.000 0.957 591 L CA -1.253 53.442 54.840 -0.242 0.000 0.860 591 L CB 1.818 43.745 42.059 -0.221 0.000 1.265 591 L HN 0.497 nan 8.230 nan 0.000 0.403 592 P HA 0.139 nan 4.420 nan 0.000 0.269 592 P C 1.004 178.063 177.300 -0.403 0.000 1.209 592 P CA -0.429 62.417 63.100 -0.423 0.000 0.776 592 P CB 0.815 32.094 31.700 -0.701 0.000 0.876 593 V N 2.269 122.052 119.914 -0.218 0.000 2.324 593 V HA -0.299 3.821 4.120 0.001 0.000 0.250 593 V C 2.302 178.324 176.094 -0.120 0.000 1.060 593 V CA 2.329 64.554 62.300 -0.125 0.000 1.042 593 V CB -1.578 30.226 31.823 -0.032 0.000 0.650 593 V HN 0.778 nan 8.190 nan 0.000 0.450 594 H N -0.809 118.230 119.070 -0.052 0.000 2.491 594 H HA -0.041 4.515 4.556 0.001 0.000 0.290 594 H C 2.151 177.454 175.328 -0.042 0.000 1.050 594 H CA 1.665 57.691 56.048 -0.037 0.000 1.309 594 H CB -0.599 29.153 29.762 -0.017 0.000 1.392 594 H HN 0.370 nan 8.280 nan 0.000 0.554 595 V N 1.943 121.640 119.914 -0.363 0.000 2.283 595 V HA -0.188 3.932 4.120 0.001 0.000 0.243 595 V C 3.232 179.352 176.094 0.043 0.000 1.039 595 V CA 1.595 63.798 62.300 -0.162 0.000 1.016 595 V CB -1.107 30.485 31.823 -0.384 0.000 0.650 595 V HN 0.617 nan 8.190 nan 0.000 0.449 596 A N 0.024 122.814 122.820 -0.050 0.000 1.917 596 A HA -0.296 4.024 4.320 0.001 0.000 0.219 596 A C 1.969 179.584 177.584 0.051 0.000 1.182 596 A CA 2.208 54.247 52.037 0.004 0.000 0.633 596 A CB -0.711 18.244 19.000 -0.076 0.000 0.819 596 A HN 0.545 nan 8.150 nan 0.000 0.448 597 D N -0.081 120.326 120.400 0.012 0.000 2.178 597 D HA -0.052 4.589 4.640 0.001 0.000 0.201 597 D C 2.209 178.497 176.300 -0.021 0.000 0.980 597 D CA 1.382 55.384 54.000 0.003 0.000 0.842 597 D CB -0.389 40.419 40.800 0.013 0.000 0.948 597 D HN 0.448 nan 8.370 nan 0.000 0.472 598 A N 0.050 122.846 122.820 -0.040 0.000 1.902 598 A HA -0.160 4.160 4.320 0.001 0.000 0.217 598 A C 1.991 179.381 177.584 -0.324 0.000 1.181 598 A CA 1.033 52.949 52.037 -0.201 0.000 0.623 598 A CB -0.906 17.921 19.000 -0.288 0.000 0.818 598 A HN 0.180 nan 8.150 nan 0.000 0.443 599 F N -0.737 119.151 119.950 -0.103 0.000 2.293 599 F HA 0.037 4.565 4.527 0.001 0.000 0.297 599 F C 2.376 178.106 175.800 -0.116 0.000 1.089 599 F CA 1.241 59.171 58.000 -0.117 0.000 1.377 599 F CB -0.217 38.692 39.000 -0.153 0.000 1.051 599 F HN 0.132 nan 8.300 nan 0.000 0.511 600 R N 0.672 121.196 120.500 0.040 0.000 2.081 600 R HA -0.170 4.170 4.340 0.001 0.000 0.235 600 R C 2.336 178.615 176.300 -0.036 0.000 1.131 600 R CA 1.346 57.440 56.100 -0.011 0.000 0.960 600 R CB -0.462 29.827 30.300 -0.019 0.000 0.856 600 R HN 0.268 nan 8.270 nan 0.000 0.436 601 A N 0.138 122.918 122.820 -0.066 0.000 1.933 601 A HA -0.094 4.226 4.320 0.001 0.000 0.218 601 A C 2.237 179.765 177.584 -0.095 0.000 1.175 601 A CA 1.450 53.435 52.037 -0.087 0.000 0.628 601 A CB -0.432 18.498 19.000 -0.116 0.000 0.814 601 A HN 0.224 nan 8.150 nan 0.000 0.444 602 V N 0.022 119.870 119.914 -0.111 0.000 2.295 602 V HA -0.272 3.849 4.120 0.001 0.000 0.246 602 V C 2.554 178.627 176.094 -0.034 0.000 1.049 602 V CA 1.987 64.234 62.300 -0.089 0.000 1.024 602 V CB -0.778 30.987 31.823 -0.098 0.000 0.648 602 V HN 0.578 nan 8.190 nan 0.000 0.447 603 L N -0.761 120.454 121.223 -0.013 0.000 2.042 603 L HA -0.176 4.165 4.340 0.001 0.000 0.210 603 L C 2.125 178.992 176.870 -0.006 0.000 1.076 603 L CA 1.599 56.441 54.840 0.003 0.000 0.749 603 L CB -0.302 41.758 42.059 0.003 0.000 0.893 603 L HN 0.315 nan 8.230 nan 0.000 0.432 604 L N -1.387 119.824 121.223 -0.021 0.000 2.592 604 L HA 0.069 4.410 4.340 0.001 0.000 0.227 604 L C 0.409 177.260 176.870 -0.031 0.000 1.127 604 L CA -0.321 54.506 54.840 -0.022 0.000 0.884 604 L CB -0.203 41.842 42.059 -0.023 0.000 1.065 604 L HN 0.095 nan 8.230 nan 0.000 0.457 605 D N 1.385 121.759 120.400 -0.043 0.000 2.346 605 D HA -0.025 4.615 4.640 0.001 0.000 0.260 605 D C 0.991 177.268 176.300 -0.039 0.000 1.252 605 D CA 0.304 54.272 54.000 -0.054 0.000 0.895 605 D CB 0.958 41.712 40.800 -0.077 0.000 1.097 605 D HN 0.221 nan 8.370 nan 0.000 0.489 606 E N 2.605 122.784 120.200 -0.035 0.000 2.208 606 E HA -0.122 4.228 4.350 0.001 0.000 0.193 606 E C 1.233 177.816 176.600 -0.029 0.000 0.988 606 E CA 0.698 57.083 56.400 -0.026 0.000 0.828 606 E CB 0.361 30.048 29.700 -0.022 0.000 0.763 606 E HN 0.492 nan 8.360 nan 0.000 0.478 607 K N 0.602 120.979 120.400 -0.038 0.000 2.305 607 K HA 0.089 4.410 4.320 0.001 0.000 0.199 607 K C 1.126 177.703 176.600 -0.039 0.000 1.047 607 K CA 0.015 56.279 56.287 -0.038 0.000 0.976 607 K CB 0.254 32.727 32.500 -0.045 0.000 0.765 607 K HN 0.089 nan 8.250 nan 0.000 0.474 608 I N 2.539 123.083 120.570 -0.044 0.000 2.648 608 I HA -0.081 4.090 4.170 0.001 0.000 0.284 608 I C 0.052 176.153 176.117 -0.027 0.000 1.153 608 I CA -0.202 61.073 61.300 -0.042 0.000 1.426 608 I CB 0.471 38.441 38.000 -0.050 0.000 1.381 608 I HN 0.070 nan 8.210 nan 0.000 0.571 609 D N 9.775 130.161 120.400 -0.023 0.000 2.472 609 D HA 0.008 4.649 4.640 0.001 0.000 0.248 609 D C -1.689 174.604 176.300 -0.011 0.000 1.174 609 D CA -1.573 52.416 54.000 -0.018 0.000 0.883 609 D CB 1.358 42.147 40.800 -0.018 0.000 1.149 609 D HN 0.297 nan 8.370 nan 0.000 0.488 610 P HA -0.141 nan 4.420 nan 0.000 0.217 610 P C 0.934 178.236 177.300 0.004 0.000 1.148 610 P CA 1.614 64.714 63.100 0.000 0.000 0.828 610 P CB 0.111 31.807 31.700 -0.006 0.000 0.783 611 A N -0.581 122.235 122.820 -0.007 0.000 1.908 611 A HA -0.193 4.127 4.320 0.001 0.000 0.218 611 A C 2.126 179.704 177.584 -0.010 0.000 1.181 611 A CA 1.661 53.690 52.037 -0.012 0.000 0.627 611 A CB -1.590 17.395 19.000 -0.025 0.000 0.818 611 A HN 0.198 nan 8.150 nan 0.000 0.445 612 L N -0.446 120.773 121.223 -0.006 0.000 2.044 612 L HA 0.083 4.424 4.340 0.001 0.000 0.205 612 L C 2.649 179.546 176.870 0.045 0.000 1.075 612 L CA 2.118 56.963 54.840 0.008 0.000 0.747 612 L CB -0.933 41.129 42.059 0.004 0.000 0.903 612 L HN 0.319 nan 8.230 nan 0.000 0.435 613 A N -0.070 122.771 122.820 0.036 0.000 1.917 613 A HA -0.206 4.114 4.320 0.001 0.000 0.219 613 A C 2.477 180.122 177.584 0.101 0.000 1.182 613 A CA 2.194 54.266 52.037 0.058 0.000 0.633 613 A CB -1.322 17.700 19.000 0.038 0.000 0.819 613 A HN 0.620 nan 8.150 nan 0.000 0.448 614 A N -0.536 122.333 122.820 0.082 0.000 1.908 614 A HA -0.168 4.153 4.320 0.001 0.000 0.218 614 A C 1.937 179.597 177.584 0.126 0.000 1.181 614 A CA 1.823 53.919 52.037 0.099 0.000 0.627 614 A CB -0.406 18.630 19.000 0.060 0.000 0.818 614 A HN 0.484 nan 8.150 nan 0.000 0.445 615 E N -0.040 120.224 120.200 0.106 0.000 2.107 615 E HA -0.071 4.279 4.350 0.001 0.000 0.191 615 E C 1.975 178.804 176.600 0.383 0.000 0.982 615 E CA 0.823 57.308 56.400 0.142 0.000 0.809 615 E CB -0.451 29.198 29.700 -0.086 0.000 0.756 615 E HN 0.736 nan 8.360 nan 0.000 0.459 616 I N 0.751 121.542 120.570 0.369 0.000 2.286 616 I HA -0.225 3.946 4.170 0.001 0.000 0.248 616 I C 1.953 178.290 176.117 0.367 0.000 1.115 616 I CA 0.892 62.403 61.300 0.351 0.000 1.392 616 I CB -0.150 37.956 38.000 0.176 0.000 1.065 616 I HN 0.008 nan 8.210 nan 0.000 0.418 617 L N 0.172 121.586 121.223 0.318 0.000 2.627 617 L HA 0.045 4.386 4.340 0.001 0.000 0.233 617 L C 0.211 177.290 176.870 0.349 0.000 1.144 617 L CA 0.220 55.280 54.840 0.366 0.000 0.892 617 L CB -0.444 41.818 42.059 0.337 0.000 1.039 617 L HN 0.078 nan 8.230 nan 0.000 0.442 618 T N 1.490 116.196 114.554 0.253 0.000 2.801 618 T HA 0.397 4.747 4.350 0.001 0.000 0.306 618 T C 0.219 175.008 174.700 0.149 0.000 1.020 618 T CA -0.417 61.776 62.100 0.155 0.000 0.948 618 T CB 0.909 69.856 68.868 0.133 0.000 0.962 618 T HN -0.000 nan 8.240 nan 0.000 0.465 619 L N 5.456 126.718 121.223 0.063 0.000 2.461 619 L HA 0.249 4.589 4.340 0.001 0.000 0.272 619 L C -1.544 175.353 176.870 0.046 0.000 1.197 619 L CA -1.899 52.962 54.840 0.035 0.000 0.836 619 L CB -0.071 41.969 42.059 -0.031 0.000 1.105 619 L HN 0.317 nan 8.230 nan 0.000 0.477 620 P HA -0.014 nan 4.420 nan 0.000 0.265 620 P C -0.341 176.978 177.300 0.032 0.000 1.187 620 P CA -0.219 62.913 63.100 0.053 0.000 0.766 620 P CB 0.474 32.190 31.700 0.026 0.000 0.820 621 S N 1.153 116.876 115.700 0.038 0.000 2.596 621 S HA 0.047 4.517 4.470 0.001 0.000 0.260 621 S C 1.596 176.212 174.600 0.028 0.000 1.336 621 S CA -0.087 58.127 58.200 0.022 0.000 0.993 621 S CB 0.043 63.257 63.200 0.025 0.000 0.923 621 S HN 0.397 nan 8.310 nan 0.000 0.567 622 V N -0.242 119.684 119.914 0.020 0.000 2.594 622 V HA -0.185 3.935 4.120 0.001 0.000 0.253 622 V C 1.767 177.896 176.094 0.058 0.000 1.069 622 V CA 2.046 64.364 62.300 0.031 0.000 1.082 622 V CB -1.735 30.097 31.823 0.016 0.000 0.680 622 V HN 0.846 nan 8.190 nan 0.000 0.469 623 N N 0.528 119.261 118.700 0.055 0.000 2.216 623 N HA -0.107 4.633 4.740 0.001 0.000 0.183 623 N C 1.906 177.459 175.510 0.072 0.000 1.017 623 N CA 1.421 54.513 53.050 0.069 0.000 0.861 623 N CB -0.218 38.302 38.487 0.056 0.000 0.986 623 N HN 0.632 nan 8.380 nan 0.000 0.428 624 E N 0.674 120.907 120.200 0.056 0.000 2.077 624 E HA -0.147 4.203 4.350 0.001 0.000 0.193 624 E C 1.849 178.492 176.600 0.071 0.000 0.989 624 E CA 1.023 57.453 56.400 0.050 0.000 0.800 624 E CB -0.045 29.681 29.700 0.043 0.000 0.746 624 E HN 0.403 nan 8.360 nan 0.000 0.452 625 M N 0.438 120.093 119.600 0.092 0.000 2.159 625 M HA -0.123 4.357 4.480 0.001 0.000 0.263 625 M C 2.502 178.966 176.300 0.273 0.000 1.063 625 M CA 1.272 56.665 55.300 0.155 0.000 1.110 625 M CB -0.225 32.472 32.600 0.162 0.000 1.374 625 M HN 0.117 nan 8.290 nan 0.000 0.411 626 A N 0.155 123.102 122.820 0.212 0.000 1.940 626 A HA -0.155 4.165 4.320 0.001 0.000 0.219 626 A C 1.907 179.636 177.584 0.241 0.000 1.176 626 A CA 1.515 53.692 52.037 0.233 0.000 0.631 626 A CB -0.480 18.593 19.000 0.121 0.000 0.814 626 A HN 0.376 nan 8.150 nan 0.000 0.446 627 E N -0.148 120.149 120.200 0.161 0.000 2.511 627 E HA 0.030 4.380 4.350 0.001 0.000 0.196 627 E C 1.512 178.156 176.600 0.073 0.000 1.066 627 E CA 0.254 56.738 56.400 0.140 0.000 0.871 627 E CB -0.239 29.564 29.700 0.172 0.000 0.863 627 E HN 0.715 nan 8.360 nan 0.000 0.520 628 L N -0.518 120.680 121.223 -0.041 0.000 2.552 628 L HA 0.054 4.395 4.340 0.001 0.000 0.227 628 L C 0.168 176.706 176.870 -0.554 0.000 1.146 628 L CA 0.341 54.971 54.840 -0.350 0.000 0.858 628 L CB -0.052 41.640 42.059 -0.610 0.000 0.969 628 L HN -0.062 nan 8.230 nan 0.000 0.451 629 F N -1.102 118.850 119.950 0.003 0.000 2.520 629 F HA 0.260 4.788 4.527 0.001 0.000 0.322 629 F C 1.058 176.836 175.800 -0.036 0.000 1.103 629 F CA -0.989 56.997 58.000 -0.023 0.000 0.926 629 F CB 1.123 40.092 39.000 -0.050 0.000 1.154 629 F HN -0.213 nan 8.300 nan 0.000 0.453 630 D N 1.360 121.843 120.400 0.139 0.000 2.084 630 D HA -0.058 4.583 4.640 0.001 0.000 0.194 630 D C 0.679 176.990 176.300 0.019 0.000 0.990 630 D CA 1.740 55.778 54.000 0.062 0.000 0.826 630 D CB 0.287 41.114 40.800 0.045 0.000 0.971 630 D HN 0.049 nan 8.370 nan 0.000 0.453 631 I N 1.788 122.368 120.570 0.017 0.000 2.339 631 I HA 0.239 4.410 4.170 0.001 0.000 0.290 631 I C 0.276 176.299 176.117 -0.157 0.000 0.994 631 I CA -0.706 60.542 61.300 -0.087 0.000 1.191 631 I CB 1.210 39.177 38.000 -0.055 0.000 1.343 631 I HN -0.156 nan 8.210 nan 0.000 0.458 632 I N 5.437 125.791 120.570 -0.360 0.000 2.396 632 I HA 0.081 4.251 4.170 0.001 0.000 0.289 632 I C 0.389 176.293 176.117 -0.355 0.000 1.056 632 I CA -0.021 61.024 61.300 -0.426 0.000 1.365 632 I CB 0.589 38.213 38.000 -0.627 0.000 1.407 632 I HN 0.436 nan 8.210 nan 0.000 0.509 633 D N 9.736 129.936 120.400 -0.333 0.000 2.485 633 D HA 0.213 4.853 4.640 0.001 0.000 0.229 633 D C -1.560 174.627 176.300 -0.189 0.000 1.101 633 D CA -2.306 51.565 54.000 -0.217 0.000 0.906 633 D CB 1.372 42.027 40.800 -0.242 0.000 1.019 633 D HN 0.239 nan 8.370 nan 0.000 0.516 634 P HA -0.055 nan 4.420 nan 0.000 0.221 634 P C 1.783 179.046 177.300 -0.061 0.000 1.150 634 P CA 0.470 63.563 63.100 -0.011 0.000 0.800 634 P CB 0.757 32.535 31.700 0.131 0.000 0.787 635 I N 0.169 120.697 120.570 -0.071 0.000 2.233 635 I HA -0.173 3.998 4.170 0.001 0.000 0.243 635 I C 2.642 178.583 176.117 -0.294 0.000 1.093 635 I CA 1.297 62.536 61.300 -0.102 0.000 1.380 635 I CB -0.918 37.068 38.000 -0.023 0.000 1.067 635 I HN -0.097 nan 8.210 nan 0.000 0.413 636 A N 1.330 123.898 122.820 -0.421 0.000 1.883 636 A HA -0.199 4.121 4.320 0.001 0.000 0.217 636 A C 2.312 179.597 177.584 -0.499 0.000 1.186 636 A CA 1.612 53.162 52.037 -0.812 0.000 0.624 636 A CB -0.900 17.828 19.000 -0.454 0.000 0.822 636 A HN 0.361 nan 8.150 nan 0.000 0.444 637 I N -0.298 120.078 120.570 -0.323 0.000 2.163 637 I HA -0.328 3.843 4.170 0.001 0.000 0.243 637 I C 3.004 179.036 176.117 -0.141 0.000 1.085 637 I CA 1.232 62.415 61.300 -0.195 0.000 1.347 637 I CB -0.359 37.558 38.000 -0.138 0.000 1.044 637 I HN 0.378 nan 8.210 nan 0.000 0.408 638 A N 0.270 123.009 122.820 -0.135 0.000 1.902 638 A HA -0.226 4.094 4.320 0.001 0.000 0.217 638 A C 2.217 179.736 177.584 -0.107 0.000 1.181 638 A CA 1.753 53.733 52.037 -0.095 0.000 0.623 638 A CB -0.586 18.374 19.000 -0.067 0.000 0.818 638 A HN 0.468 nan 8.150 nan 0.000 0.443 639 E N -0.442 119.665 120.200 -0.155 0.000 2.107 639 E HA -0.085 4.265 4.350 0.001 0.000 0.191 639 E C 1.986 178.540 176.600 -0.077 0.000 0.982 639 E CA 1.078 57.420 56.400 -0.097 0.000 0.809 639 E CB -0.229 29.442 29.700 -0.049 0.000 0.756 639 E HN 0.397 nan 8.360 nan 0.000 0.459 640 V N 1.345 121.187 119.914 -0.119 0.000 2.343 640 V HA -0.264 3.857 4.120 0.001 0.000 0.247 640 V C 2.443 178.496 176.094 -0.069 0.000 1.051 640 V CA 1.827 64.092 62.300 -0.058 0.000 1.036 640 V CB -0.475 31.323 31.823 -0.042 0.000 0.654 640 V HN 0.192 nan 8.190 nan 0.000 0.451 641 R N -0.063 120.385 120.500 -0.086 0.000 2.083 641 R HA -0.247 4.093 4.340 0.001 0.000 0.237 641 R C 2.418 178.610 176.300 -0.180 0.000 1.137 641 R CA 2.242 58.279 56.100 -0.105 0.000 0.951 641 R CB -0.277 29.969 30.300 -0.090 0.000 0.851 641 R HN 0.684 nan 8.270 nan 0.000 0.434 642 E N -0.373 119.713 120.200 -0.190 0.000 2.051 642 E HA -0.207 4.144 4.350 0.001 0.000 0.192 642 E C 1.784 178.208 176.600 -0.294 0.000 0.991 642 E CA 1.285 57.497 56.400 -0.313 0.000 0.799 642 E CB -0.133 29.465 29.700 -0.171 0.000 0.748 642 E HN 0.468 nan 8.360 nan 0.000 0.449 643 A N 0.970 123.704 122.820 -0.144 0.000 1.902 643 A HA -0.175 4.145 4.320 0.001 0.000 0.217 643 A C 2.139 179.662 177.584 -0.101 0.000 1.181 643 A CA 1.350 53.333 52.037 -0.090 0.000 0.623 643 A CB -0.680 18.305 19.000 -0.024 0.000 0.818 643 A HN 0.393 nan 8.150 nan 0.000 0.443 644 L N -0.130 121.031 121.223 -0.103 0.000 2.046 644 L HA -0.111 4.230 4.340 0.001 0.000 0.208 644 L C 2.484 179.305 176.870 -0.082 0.000 1.077 644 L CA 2.796 57.582 54.840 -0.090 0.000 0.747 644 L CB -1.129 40.882 42.059 -0.080 0.000 0.896 644 L HN 0.391 nan 8.230 nan 0.000 0.432 645 T N -0.397 114.068 114.554 -0.149 0.000 2.684 645 T HA -0.202 4.149 4.350 0.001 0.000 0.267 645 T C 2.006 176.673 174.700 -0.054 0.000 1.036 645 T CA 1.714 63.740 62.100 -0.124 0.000 1.148 645 T CB -0.230 68.291 68.868 -0.579 0.000 0.863 645 T HN 0.355 nan 8.240 nan 0.000 0.436 646 R N 0.469 120.854 120.500 -0.191 0.000 2.081 646 R HA -0.058 4.283 4.340 0.001 0.000 0.235 646 R C 2.814 179.118 176.300 0.007 0.000 1.131 646 R CA 1.616 57.697 56.100 -0.031 0.000 0.960 646 R CB -0.734 29.553 30.300 -0.022 0.000 0.856 646 R HN 0.322 nan 8.270 nan 0.000 0.436 647 T N 1.718 116.252 114.554 -0.034 0.000 2.708 647 T HA -0.096 4.254 4.350 0.001 0.000 0.266 647 T C 1.898 176.556 174.700 -0.069 0.000 1.037 647 T CA 1.113 63.185 62.100 -0.047 0.000 1.146 647 T CB -0.147 68.682 68.868 -0.066 0.000 0.865 647 T HN 0.127 nan 8.240 nan 0.000 0.435 648 L N 0.694 121.859 121.223 -0.097 0.000 2.093 648 L HA -0.044 4.297 4.340 0.001 0.000 0.208 648 L C 3.055 179.814 176.870 -0.186 0.000 1.085 648 L CA 1.029 55.738 54.840 -0.218 0.000 0.755 648 L CB -0.704 41.105 42.059 -0.417 0.000 0.904 648 L HN 0.235 nan 8.230 nan 0.000 0.435 649 A N -0.135 122.690 122.820 0.008 0.000 1.908 649 A HA -0.223 4.097 4.320 0.001 0.000 0.218 649 A C 2.378 179.977 177.584 0.025 0.000 1.181 649 A CA 2.532 54.624 52.037 0.092 0.000 0.627 649 A CB -0.925 18.217 19.000 0.235 0.000 0.818 649 A HN 0.399 nan 8.150 nan 0.000 0.445 650 T N -0.202 114.359 114.554 0.013 0.000 2.732 650 T HA -0.080 4.270 4.350 0.001 0.000 0.261 650 T C 1.808 176.493 174.700 -0.025 0.000 1.040 650 T CA 1.353 63.453 62.100 0.002 0.000 1.145 650 T CB -0.233 68.638 68.868 0.004 0.000 0.866 650 T HN 0.462 nan 8.240 nan 0.000 0.427 651 E N 1.229 121.399 120.200 -0.050 0.000 2.150 651 E HA 0.026 4.376 4.350 0.001 0.000 0.193 651 E C 1.614 178.177 176.600 -0.062 0.000 0.985 651 E CA 0.768 57.133 56.400 -0.058 0.000 0.814 651 E CB -0.161 29.494 29.700 -0.076 0.000 0.752 651 E HN 0.484 nan 8.360 nan 0.000 0.466 652 L N -0.174 120.997 121.223 -0.087 0.000 2.910 652 L HA 0.335 4.675 4.340 0.001 0.000 0.252 652 L C 1.864 178.700 176.870 -0.055 0.000 1.195 652 L CA -0.124 54.663 54.840 -0.089 0.000 1.003 652 L CB 0.098 42.059 42.059 -0.163 0.000 1.328 652 L HN -0.075 nan 8.230 nan 0.000 0.540 653 A N 0.704 123.506 122.820 -0.030 0.000 1.892 653 A HA -0.248 4.072 4.320 0.001 0.000 0.218 653 A C 1.886 179.472 177.584 0.003 0.000 1.188 653 A CA 2.252 54.286 52.037 -0.005 0.000 0.631 653 A CB -0.280 18.722 19.000 0.004 0.000 0.822 653 A HN 0.378 nan 8.150 nan 0.000 0.447 654 D N -0.597 119.803 120.400 0.000 0.000 2.117 654 D HA -0.086 4.554 4.640 0.001 0.000 0.198 654 D C 1.947 178.257 176.300 0.016 0.000 0.982 654 D CA 1.574 55.580 54.000 0.009 0.000 0.828 654 D CB -0.384 40.419 40.800 0.005 0.000 0.967 654 D HN 0.576 nan 8.370 nan 0.000 0.464 655 E N 0.455 120.658 120.200 0.005 0.000 2.072 655 E HA -0.045 4.305 4.350 0.001 0.000 0.191 655 E C 2.325 178.943 176.600 0.030 0.000 0.985 655 E CA 0.288 56.693 56.400 0.010 0.000 0.801 655 E CB -0.239 29.456 29.700 -0.009 0.000 0.750 655 E HN 0.224 nan 8.360 nan 0.000 0.452 656 L N 0.054 121.291 121.223 0.024 0.000 2.046 656 L HA -0.173 4.168 4.340 0.001 0.000 0.208 656 L C 2.298 179.235 176.870 0.113 0.000 1.077 656 L CA 0.669 55.547 54.840 0.064 0.000 0.747 656 L CB -0.369 41.720 42.059 0.050 0.000 0.896 656 L HN 0.195 nan 8.230 nan 0.000 0.432 657 L N -0.106 121.166 121.223 0.080 0.000 2.056 657 L HA -0.101 4.240 4.340 0.001 0.000 0.207 657 L C 2.613 179.576 176.870 0.154 0.000 1.078 657 L CA 1.882 56.787 54.840 0.108 0.000 0.749 657 L CB -0.692 41.399 42.059 0.053 0.000 0.901 657 L HN 0.145 nan 8.230 nan 0.000 0.433 658 A N -0.203 122.676 122.820 0.098 0.000 1.883 658 A HA -0.188 4.132 4.320 0.001 0.000 0.217 658 A C 2.124 179.765 177.584 0.095 0.000 1.186 658 A CA 2.076 54.161 52.037 0.081 0.000 0.624 658 A CB -0.751 18.278 19.000 0.048 0.000 0.822 658 A HN 0.418 nan 8.150 nan 0.000 0.444 659 I N -1.775 118.858 120.570 0.105 0.000 2.353 659 I HA -0.151 4.020 4.170 0.001 0.000 0.248 659 I C 2.315 178.511 176.117 0.132 0.000 1.119 659 I CA 1.049 62.407 61.300 0.098 0.000 1.417 659 I CB -1.613 36.439 38.000 0.087 0.000 1.078 659 I HN 0.556 nan 8.210 nan 0.000 0.421 660 Y N 2.501 122.838 120.300 0.062 0.000 2.081 660 Y HA -0.306 4.244 4.550 0.001 0.000 0.280 660 Y C 2.335 178.284 175.900 0.083 0.000 1.163 660 Y CA 2.343 60.488 58.100 0.075 0.000 1.135 660 Y CB -0.630 37.874 38.460 0.074 0.000 0.970 660 Y HN 0.262 nan 8.280 nan 0.000 0.498 661 N N -0.225 118.549 118.700 0.123 0.000 2.188 661 N HA -0.154 4.586 4.740 0.001 0.000 0.184 661 N C 1.917 177.435 175.510 0.013 0.000 1.018 661 N CA 0.843 53.911 53.050 0.030 0.000 0.858 661 N CB -0.347 38.194 38.487 0.090 0.000 0.989 661 N HN 0.469 nan 8.380 nan 0.000 0.426 662 A N 0.842 123.680 122.820 0.030 0.000 2.067 662 A HA -0.048 4.272 4.320 0.001 0.000 0.219 662 A C 1.563 179.157 177.584 0.016 0.000 1.158 662 A CA 1.090 53.144 52.037 0.028 0.000 0.661 662 A CB -0.085 18.932 19.000 0.027 0.000 0.801 662 A HN 0.281 nan 8.150 nan 0.000 0.452 663 N N -1.351 117.341 118.700 -0.012 0.000 2.230 663 N HA 0.053 4.794 4.740 0.001 0.000 0.202 663 N C -0.348 175.121 175.510 -0.069 0.000 1.119 663 N CA -0.202 52.824 53.050 -0.039 0.000 0.851 663 N CB 0.097 38.562 38.487 -0.037 0.000 0.990 663 N HN 0.584 nan 8.380 nan 0.000 0.497 664 Y N 2.671 122.869 120.300 -0.169 0.000 2.811 664 Y HA -0.100 4.451 4.550 0.001 0.000 0.334 664 Y C -0.116 175.727 175.900 -0.095 0.000 1.247 664 Y CA 0.640 58.645 58.100 -0.159 0.000 1.526 664 Y CB 0.339 38.715 38.460 -0.141 0.000 1.284 664 Y HN 0.014 nan 8.280 nan 0.000 0.586 665 Q N 4.662 123.924 119.800 -0.898 0.000 2.290 665 Q HA 0.191 4.532 4.340 0.001 0.000 0.269 665 Q C 0.443 175.907 176.000 -0.894 0.000 1.016 665 Q CA -0.439 54.953 55.803 -0.686 0.000 0.754 665 Q CB 1.994 30.524 28.738 -0.347 0.000 1.247 665 Q HN 0.866 nan 8.270 nan 0.000 0.451 666 S N 2.195 117.489 115.700 -0.677 0.000 2.348 666 S HA -0.070 4.400 4.470 0.001 0.000 0.221 666 S C 0.543 175.040 174.600 -0.171 0.000 1.033 666 S CA 1.215 59.225 58.200 -0.317 0.000 1.010 666 S CB 0.309 63.494 63.200 -0.024 0.000 0.891 666 S HN 0.498 nan 8.310 nan 0.000 0.442 667 E N 0.764 120.877 120.200 -0.146 0.000 2.338 667 E HA 0.115 4.466 4.350 0.001 0.000 0.272 667 E C -1.188 175.358 176.600 -0.091 0.000 1.029 667 E CA -0.145 56.200 56.400 -0.092 0.000 0.872 667 E CB 0.828 30.468 29.700 -0.100 0.000 1.015 667 E HN 0.506 nan 8.360 nan 0.000 0.417 668 Y N 3.421 123.627 120.300 -0.157 0.000 2.335 668 Y HA 0.274 4.824 4.550 0.001 0.000 0.339 668 Y C -0.404 175.377 175.900 -0.199 0.000 0.987 668 Y CA -0.398 57.594 58.100 -0.180 0.000 1.140 668 Y CB 0.633 38.996 38.460 -0.161 0.000 1.173 668 Y HN 0.302 nan 8.280 nan 0.000 0.486 669 R N 4.508 124.452 120.500 -0.927 0.000 2.628 669 R HA 0.486 4.826 4.340 0.001 0.000 0.288 669 R C -1.374 174.309 176.300 -1.029 0.000 0.980 669 R CA -1.185 54.450 56.100 -0.776 0.000 0.891 669 R CB 2.085 32.118 30.300 -0.446 0.000 1.188 669 R HN 0.473 nan 8.270 nan 0.000 0.450 670 V N 3.217 122.585 119.914 -0.910 0.000 2.071 670 V HA 0.133 4.253 4.120 0.001 0.000 0.254 670 V C -0.133 175.565 176.094 -0.659 0.000 1.456 670 V CA 0.310 62.069 62.300 -0.902 0.000 1.383 670 V CB -0.707 30.377 31.823 -1.231 0.000 1.433 670 V HN 0.720 nan 8.190 nan 0.000 0.499 671 E N 0.845 120.707 120.200 -0.564 0.000 2.314 671 E HA 0.416 4.767 4.350 0.001 0.000 0.272 671 E C 0.139 176.499 176.600 -0.399 0.000 0.884 671 E CA -0.843 55.292 56.400 -0.442 0.000 0.753 671 E CB 1.661 31.192 29.700 -0.283 0.000 1.213 671 E HN 0.378 nan 8.360 nan 0.000 0.432 672 H N 1.555 120.541 119.070 -0.141 0.000 2.387 672 H HA -0.112 4.444 4.556 0.001 0.000 0.299 672 H C 1.048 176.310 175.328 -0.111 0.000 1.090 672 H CA 1.452 57.429 56.048 -0.118 0.000 1.332 672 H CB 0.406 30.114 29.762 -0.091 0.000 1.386 672 H HN 0.604 nan 8.280 nan 0.000 0.516 673 E N 0.455 120.648 120.200 -0.011 0.000 2.072 673 E HA -0.136 4.215 4.350 0.001 0.000 0.191 673 E C 1.679 178.228 176.600 -0.085 0.000 0.985 673 E CA 1.107 57.483 56.400 -0.041 0.000 0.801 673 E CB 0.059 29.733 29.700 -0.045 0.000 0.750 673 E HN 0.463 nan 8.360 nan 0.000 0.452 674 D N 0.657 120.971 120.400 -0.143 0.000 2.117 674 D HA -0.116 4.524 4.640 0.001 0.000 0.198 674 D C 1.863 178.059 176.300 -0.174 0.000 0.982 674 D CA 0.805 54.693 54.000 -0.186 0.000 0.828 674 D CB -0.104 40.527 40.800 -0.281 0.000 0.967 674 D HN 0.138 nan 8.370 nan 0.000 0.464 675 I N 0.820 121.281 120.570 -0.182 0.000 2.226 675 I HA -0.262 3.908 4.170 0.001 0.000 0.245 675 I C 2.373 178.452 176.117 -0.063 0.000 1.100 675 I CA 0.988 62.208 61.300 -0.133 0.000 1.374 675 I CB -0.221 37.696 38.000 -0.138 0.000 1.057 675 I HN -0.032 nan 8.210 nan 0.000 0.413 676 A N 0.994 123.787 122.820 -0.045 0.000 1.877 676 A HA -0.231 4.089 4.320 0.001 0.000 0.216 676 A C 2.311 179.881 177.584 -0.024 0.000 1.186 676 A CA 1.729 53.752 52.037 -0.023 0.000 0.620 676 A CB -0.476 18.514 19.000 -0.017 0.000 0.822 676 A HN 0.321 nan 8.150 nan 0.000 0.443 677 K N -0.865 119.510 120.400 -0.042 0.000 2.097 677 K HA -0.156 4.165 4.320 0.001 0.000 0.206 677 K C 2.352 178.930 176.600 -0.036 0.000 1.049 677 K CA 1.564 57.826 56.287 -0.040 0.000 0.933 677 K CB -0.163 32.300 32.500 -0.063 0.000 0.717 677 K HN 0.471 nan 8.250 nan 0.000 0.442 678 R N 0.712 121.183 120.500 -0.048 0.000 2.092 678 R HA -0.088 4.252 4.340 0.001 0.000 0.231 678 R C 1.911 178.217 176.300 0.011 0.000 1.119 678 R CA 1.732 57.815 56.100 -0.028 0.000 0.970 678 R CB -0.159 30.125 30.300 -0.028 0.000 0.864 678 R HN 0.089 nan 8.270 nan 0.000 0.440 679 T N 1.604 116.164 114.554 0.010 0.000 2.788 679 T HA -0.148 4.203 4.350 0.001 0.000 0.268 679 T C 1.594 176.327 174.700 0.054 0.000 1.044 679 T CA 1.207 63.325 62.100 0.030 0.000 1.139 679 T CB -0.195 68.683 68.868 0.017 0.000 0.867 679 T HN 0.151 nan 8.240 nan 0.000 0.454 680 L N 1.355 122.607 121.223 0.048 0.000 2.027 680 L HA 0.097 4.437 4.340 0.001 0.000 0.206 680 L C 2.517 179.452 176.870 0.108 0.000 1.074 680 L CA 1.724 56.610 54.840 0.076 0.000 0.745 680 L CB -0.607 41.485 42.059 0.054 0.000 0.898 680 L HN 0.037 nan 8.230 nan 0.000 0.433 681 R N -0.308 120.237 120.500 0.075 0.000 2.096 681 R HA -0.217 4.123 4.340 0.001 0.000 0.240 681 R C 2.044 178.477 176.300 0.223 0.000 1.139 681 R CA 2.402 58.561 56.100 0.099 0.000 0.952 681 R CB -0.398 29.872 30.300 -0.048 0.000 0.854 681 R HN 0.596 nan 8.270 nan 0.000 0.436 682 N N -0.583 118.209 118.700 0.154 0.000 2.331 682 N HA -0.061 4.680 4.740 0.001 0.000 0.180 682 N C 1.566 177.157 175.510 0.136 0.000 1.019 682 N CA 0.616 53.762 53.050 0.159 0.000 0.881 682 N CB 0.025 38.574 38.487 0.103 0.000 0.972 682 N HN 0.282 nan 8.380 nan 0.000 0.435 683 A N 0.465 123.367 122.820 0.137 0.000 1.898 683 A HA -0.124 4.197 4.320 0.001 0.000 0.216 683 A C 2.335 180.062 177.584 0.238 0.000 1.181 683 A CA 0.897 53.020 52.037 0.142 0.000 0.620 683 A CB -0.862 18.240 19.000 0.171 0.000 0.819 683 A HN 0.426 nan 8.150 nan 0.000 0.442 684 C N -1.311 118.161 119.300 0.286 0.000 2.429 684 C HA -0.066 4.395 4.460 0.001 0.000 0.277 684 C C 2.512 177.656 174.990 0.257 0.000 1.262 684 C CA 1.075 60.295 59.018 0.337 0.000 1.733 684 C CB -1.430 26.497 27.740 0.312 0.000 2.010 684 C HN 0.671 nan 8.230 nan 0.000 0.483 685 L N 1.433 122.781 121.223 0.209 0.000 2.079 685 L HA -0.140 4.200 4.340 0.001 0.000 0.210 685 L C 2.635 179.522 176.870 0.028 0.000 1.081 685 L CA 1.841 56.711 54.840 0.051 0.000 0.752 685 L CB -0.727 41.409 42.059 0.129 0.000 0.896 685 L HN 0.151 nan 8.230 nan 0.000 0.433 686 R N -0.768 119.743 120.500 0.018 0.000 2.091 686 R HA -0.184 4.156 4.340 0.001 0.000 0.238 686 R C 2.020 178.296 176.300 -0.041 0.000 1.136 686 R CA 1.935 57.990 56.100 -0.075 0.000 0.959 686 R CB -0.934 29.230 30.300 -0.226 0.000 0.856 686 R HN 0.442 nan 8.270 nan 0.000 0.437 687 F N -0.300 119.719 119.950 0.114 0.000 2.187 687 F HA 0.053 4.580 4.527 0.001 0.000 0.295 687 F C 2.100 177.965 175.800 0.108 0.000 1.091 687 F CA 0.756 58.827 58.000 0.118 0.000 1.308 687 F CB -0.489 38.535 39.000 0.040 0.000 1.030 687 F HN -0.083 nan 8.300 nan 0.000 0.487 688 L N -0.216 121.129 121.223 0.204 0.000 2.127 688 L HA -0.219 4.122 4.340 0.001 0.000 0.211 688 L C 2.631 179.496 176.870 -0.009 0.000 1.089 688 L CA 1.036 55.905 54.840 0.049 0.000 0.757 688 L CB -0.974 41.028 42.059 -0.096 0.000 0.899 688 L HN 0.155 nan 8.230 nan 0.000 0.434 689 A N -0.565 122.232 122.820 -0.039 0.000 2.070 689 A HA -0.163 4.157 4.320 0.001 0.000 0.220 689 A C 1.686 179.092 177.584 -0.297 0.000 1.159 689 A CA 1.363 53.286 52.037 -0.190 0.000 0.656 689 A CB -0.592 18.249 19.000 -0.266 0.000 0.800 689 A HN 0.396 nan 8.150 nan 0.000 0.453 690 F N -0.331 119.607 119.950 -0.020 0.000 2.660 690 F HA 0.309 4.837 4.527 0.001 0.000 0.302 690 F C 1.655 177.461 175.800 0.009 0.000 1.103 690 F CA -0.194 57.803 58.000 -0.005 0.000 1.340 690 F CB -0.054 38.951 39.000 0.008 0.000 1.048 690 F HN 0.227 nan 8.300 nan 0.000 0.551 691 G N -0.698 108.167 108.800 0.108 0.000 2.494 691 G HA2 0.050 4.011 3.960 0.001 0.000 0.270 691 G HA3 0.050 4.011 3.960 0.001 0.000 0.270 691 G C -0.358 174.563 174.900 0.034 0.000 1.423 691 G CA -0.445 44.696 45.100 0.068 0.000 1.055 691 G HN 0.024 nan 8.290 nan 0.000 0.536 692 E N -0.378 119.838 120.200 0.026 0.000 2.465 692 E HA -0.015 4.335 4.350 0.001 0.000 0.260 692 E C 1.547 178.156 176.600 0.014 0.000 0.980 692 E CA 0.197 56.612 56.400 0.026 0.000 0.927 692 E CB 0.516 30.235 29.700 0.033 0.000 0.934 692 E HN 0.330 nan 8.360 nan 0.000 0.459 693 T N 4.634 119.199 114.554 0.018 0.000 2.635 693 T HA -0.233 4.118 4.350 0.001 0.000 0.267 693 T C 1.537 176.245 174.700 0.013 0.000 1.040 693 T CA 1.657 63.758 62.100 0.001 0.000 1.156 693 T CB -0.400 68.474 68.868 0.010 0.000 0.863 693 T HN 0.593 nan 8.240 nan 0.000 0.430 694 H N 0.769 119.822 119.070 -0.028 0.000 2.321 694 H HA 0.028 4.585 4.556 0.001 0.000 0.300 694 H C 2.475 177.788 175.328 -0.025 0.000 1.087 694 H CA 1.318 57.352 56.048 -0.024 0.000 1.319 694 H CB -0.459 29.294 29.762 -0.015 0.000 1.379 694 H HN 0.269 nan 8.280 nan 0.000 0.501 695 L N 0.487 121.683 121.223 -0.045 0.000 1.990 695 L HA -0.226 4.115 4.340 0.001 0.000 0.213 695 L C 2.942 179.729 176.870 -0.139 0.000 1.072 695 L CA 1.553 56.338 54.840 -0.092 0.000 0.755 695 L CB -0.602 41.449 42.059 -0.014 0.000 0.889 695 L HN 0.367 nan 8.230 nan 0.000 0.432 696 A N -0.684 122.070 122.820 -0.109 0.000 1.883 696 A HA -0.328 3.993 4.320 0.001 0.000 0.217 696 A C 1.914 179.408 177.584 -0.150 0.000 1.186 696 A CA 2.230 54.189 52.037 -0.129 0.000 0.624 696 A CB -0.863 18.063 19.000 -0.124 0.000 0.822 696 A HN 0.567 nan 8.150 nan 0.000 0.444 697 D N -0.776 119.530 120.400 -0.156 0.000 2.117 697 D HA -0.114 4.526 4.640 0.001 0.000 0.197 697 D C 1.830 178.039 176.300 -0.152 0.000 0.987 697 D CA 1.474 55.385 54.000 -0.148 0.000 0.829 697 D CB -0.041 40.684 40.800 -0.124 0.000 0.961 697 D HN 0.151 nan 8.370 nan 0.000 0.460 698 V N 0.243 120.019 119.914 -0.230 0.000 2.307 698 V HA -0.181 3.940 4.120 0.001 0.000 0.245 698 V C 2.462 178.504 176.094 -0.088 0.000 1.045 698 V CA 1.192 63.384 62.300 -0.180 0.000 1.024 698 V CB -0.501 31.158 31.823 -0.274 0.000 0.651 698 V HN 0.247 nan 8.190 nan 0.000 0.449 699 L N -0.248 120.910 121.223 -0.108 0.000 2.012 699 L HA -0.142 4.199 4.340 0.001 0.000 0.210 699 L C 2.372 179.216 176.870 -0.043 0.000 1.073 699 L CA 1.867 56.655 54.840 -0.086 0.000 0.748 699 L CB -0.436 41.517 42.059 -0.178 0.000 0.891 699 L HN 0.118 nan 8.230 nan 0.000 0.431 700 V N -0.643 119.229 119.914 -0.071 0.000 2.295 700 V HA -0.271 3.850 4.120 0.001 0.000 0.246 700 V C 2.665 178.763 176.094 0.008 0.000 1.049 700 V CA 1.786 64.062 62.300 -0.040 0.000 1.024 700 V CB -0.851 30.916 31.823 -0.094 0.000 0.648 700 V HN 0.729 nan 8.190 nan 0.000 0.447 701 S N 0.175 115.870 115.700 -0.008 0.000 2.382 701 S HA -0.290 4.181 4.470 0.001 0.000 0.228 701 S C 2.003 176.690 174.600 0.145 0.000 1.027 701 S CA 1.799 60.016 58.200 0.028 0.000 0.991 701 S CB -0.453 62.791 63.200 0.072 0.000 0.823 701 S HN 0.623 nan 8.310 nan 0.000 0.469 702 K N 1.245 121.729 120.400 0.140 0.000 2.026 702 K HA -0.202 4.119 4.320 0.001 0.000 0.208 702 K C 2.603 179.306 176.600 0.171 0.000 1.048 702 K CA 1.622 58.010 56.287 0.168 0.000 0.929 702 K CB -0.331 32.234 32.500 0.109 0.000 0.713 702 K HN 0.586 nan 8.250 nan 0.000 0.439 703 Q N -0.398 119.497 119.800 0.159 0.000 2.084 703 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 703 Q C 1.966 178.052 176.000 0.143 0.000 0.978 703 Q CA 1.691 57.598 55.803 0.174 0.000 0.844 703 Q CB -0.224 28.641 28.738 0.211 0.000 0.898 703 Q HN 0.393 nan 8.270 nan 0.000 0.426 704 F N 0.439 120.370 119.950 -0.031 0.000 2.126 704 F HA -0.227 4.301 4.527 0.001 0.000 0.299 704 F C 1.722 177.478 175.800 -0.073 0.000 1.096 704 F CA 2.289 60.232 58.000 -0.095 0.000 1.255 704 F CB -0.172 38.687 39.000 -0.235 0.000 0.997 704 F HN 0.231 nan 8.300 nan 0.000 0.479 705 H N -1.067 118.103 119.070 0.166 0.000 2.436 705 H HA -0.002 4.555 4.556 0.001 0.000 0.294 705 H C 1.722 177.047 175.328 -0.004 0.000 1.048 705 H CA 1.313 57.399 56.048 0.063 0.000 1.353 705 H CB 0.036 29.881 29.762 0.137 0.000 1.414 705 H HN 0.376 nan 8.280 nan 0.000 0.536 706 E N 0.630 120.909 120.200 0.132 0.000 2.447 706 E HA 0.176 4.527 4.350 0.001 0.000 0.195 706 E C 0.581 177.210 176.600 0.048 0.000 1.028 706 E CA -0.105 56.350 56.400 0.090 0.000 0.876 706 E CB 0.520 30.288 29.700 0.114 0.000 0.885 706 E HN 0.310 nan 8.360 nan 0.000 0.500 707 A N 2.992 125.813 122.820 0.003 0.000 2.565 707 A HA -0.052 4.269 4.320 0.001 0.000 0.237 707 A C 0.670 178.216 177.584 -0.063 0.000 1.053 707 A CA 0.114 52.130 52.037 -0.035 0.000 0.755 707 A CB -0.020 18.926 19.000 -0.090 0.000 0.980 707 A HN 0.287 nan 8.150 nan 0.000 0.506 708 N N 1.574 120.233 118.700 -0.070 0.000 2.273 708 N HA 0.059 4.800 4.740 0.001 0.000 0.231 708 N C -0.511 174.877 175.510 -0.204 0.000 1.134 708 N CA -0.037 52.957 53.050 -0.093 0.000 0.856 708 N CB -0.096 38.365 38.487 -0.043 0.000 1.068 708 N HN 0.742 nan 8.380 nan 0.000 0.510 709 N N -1.385 117.153 118.700 -0.269 0.000 3.043 709 N HA 0.055 4.795 4.740 0.001 0.000 0.243 709 N C -0.181 175.149 175.510 -0.300 0.000 1.347 709 N CA -0.551 52.214 53.050 -0.476 0.000 0.896 709 N CB 0.842 38.676 38.487 -1.090 0.000 1.501 709 N HN -0.134 nan 8.380 nan 0.000 0.504 710 M N 1.066 120.500 119.600 -0.277 0.000 2.319 710 M HA 0.063 4.543 4.480 0.001 0.000 0.265 710 M C 1.342 177.590 176.300 -0.087 0.000 1.068 710 M CA 1.786 56.993 55.300 -0.155 0.000 1.118 710 M CB -0.809 31.686 32.600 -0.176 0.000 1.395 710 M HN 0.712 nan 8.290 nan 0.000 0.435 711 T N 0.791 115.283 114.554 -0.102 0.000 2.684 711 T HA -0.149 4.202 4.350 0.001 0.000 0.267 711 T C 1.378 176.084 174.700 0.010 0.000 1.036 711 T CA 1.870 63.963 62.100 -0.012 0.000 1.148 711 T CB -0.439 68.456 68.868 0.046 0.000 0.863 711 T HN 0.408 nan 8.240 nan 0.000 0.436 712 D N 0.952 121.344 120.400 -0.013 0.000 2.149 712 D HA 0.097 4.737 4.640 0.001 0.000 0.201 712 D C 2.370 178.700 176.300 0.049 0.000 0.972 712 D CA 1.023 55.040 54.000 0.028 0.000 0.835 712 D CB -0.456 40.353 40.800 0.015 0.000 0.966 712 D HN 0.383 nan 8.370 nan 0.000 0.476 713 A N 0.852 123.673 122.820 0.001 0.000 1.877 713 A HA -0.143 4.177 4.320 0.001 0.000 0.216 713 A C 2.160 179.872 177.584 0.213 0.000 1.186 713 A CA 1.004 53.054 52.037 0.021 0.000 0.620 713 A CB -0.735 18.188 19.000 -0.128 0.000 0.822 713 A HN 0.227 nan 8.150 nan 0.000 0.443 714 L N -0.409 120.902 121.223 0.147 0.000 2.093 714 L HA 0.001 4.342 4.340 0.001 0.000 0.208 714 L C 2.707 179.632 176.870 0.092 0.000 1.085 714 L CA 1.911 56.834 54.840 0.138 0.000 0.755 714 L CB -0.701 41.407 42.059 0.081 0.000 0.904 714 L HN 0.356 nan 8.230 nan 0.000 0.435 715 A N -0.503 122.366 122.820 0.081 0.000 1.908 715 A HA -0.164 4.157 4.320 0.001 0.000 0.218 715 A C 2.452 180.077 177.584 0.068 0.000 1.181 715 A CA 1.936 54.013 52.037 0.066 0.000 0.627 715 A CB -1.154 17.893 19.000 0.078 0.000 0.818 715 A HN 0.539 nan 8.150 nan 0.000 0.445 716 A N -0.685 122.205 122.820 0.117 0.000 1.877 716 A HA -0.019 4.302 4.320 0.001 0.000 0.216 716 A C 2.140 179.749 177.584 0.042 0.000 1.186 716 A CA 1.726 53.827 52.037 0.107 0.000 0.620 716 A CB -0.668 18.451 19.000 0.199 0.000 0.822 716 A HN 0.640 nan 8.150 nan 0.000 0.443 717 L N 0.220 121.504 121.223 0.103 0.000 2.046 717 L HA -0.126 4.215 4.340 0.001 0.000 0.208 717 L C 2.555 179.358 176.870 -0.112 0.000 1.077 717 L CA 2.568 57.370 54.840 -0.062 0.000 0.747 717 L CB -0.651 41.418 42.059 0.016 0.000 0.896 717 L HN 0.320 nan 8.230 nan 0.000 0.432 718 S N -0.276 115.385 115.700 -0.064 0.000 2.382 718 S HA -0.155 4.315 4.470 0.001 0.000 0.228 718 S C 2.086 176.633 174.600 -0.089 0.000 1.027 718 S CA 1.079 59.230 58.200 -0.081 0.000 0.991 718 S CB -0.624 62.550 63.200 -0.044 0.000 0.823 718 S HN 0.656 nan 8.310 nan 0.000 0.469 719 A N 1.621 124.392 122.820 -0.081 0.000 1.898 719 A HA 0.171 4.491 4.320 0.001 0.000 0.216 719 A C 2.371 179.838 177.584 -0.196 0.000 1.181 719 A CA 1.581 53.546 52.037 -0.121 0.000 0.620 719 A CB -1.075 17.868 19.000 -0.096 0.000 0.819 719 A HN 0.508 nan 8.150 nan 0.000 0.442 720 A N -0.488 122.224 122.820 -0.179 0.000 1.902 720 A HA -0.020 4.300 4.320 0.001 0.000 0.217 720 A C 2.233 179.695 177.584 -0.202 0.000 1.181 720 A CA 1.897 53.812 52.037 -0.204 0.000 0.623 720 A CB -0.896 17.977 19.000 -0.212 0.000 0.818 720 A HN 0.388 nan 8.150 nan 0.000 0.443 721 V N -0.277 119.525 119.914 -0.186 0.000 2.307 721 V HA -0.197 3.923 4.120 0.001 0.000 0.245 721 V C 3.057 179.069 176.094 -0.137 0.000 1.045 721 V CA 1.847 64.045 62.300 -0.170 0.000 1.024 721 V CB -1.271 30.441 31.823 -0.184 0.000 0.651 721 V HN 0.607 nan 8.190 nan 0.000 0.449 722 A N -0.019 122.730 122.820 -0.119 0.000 1.902 722 A HA -0.058 4.263 4.320 0.001 0.000 0.217 722 A C 2.159 179.693 177.584 -0.083 0.000 1.181 722 A CA 2.074 54.092 52.037 -0.030 0.000 0.623 722 A CB -0.567 18.465 19.000 0.053 0.000 0.818 722 A HN 0.619 nan 8.150 nan 0.000 0.443 723 A N -1.742 120.828 122.820 -0.416 0.000 2.308 723 A HA 0.349 4.669 4.320 0.001 0.000 0.217 723 A C 0.710 178.098 177.584 -0.327 0.000 1.216 723 A CA 0.539 52.135 52.037 -0.735 0.000 0.864 723 A CB -0.392 17.891 19.000 -1.196 0.000 0.902 723 A HN 0.553 nan 8.150 nan 0.000 0.499 724 Q N -0.359 119.319 119.800 -0.204 0.000 2.439 724 Q HA -0.181 4.159 4.340 0.001 0.000 0.325 724 Q C -0.651 175.265 176.000 -0.140 0.000 1.372 724 Q CA 0.364 56.084 55.803 -0.137 0.000 0.909 724 Q CB -1.736 26.952 28.738 -0.082 0.000 1.167 724 Q HN 0.684 nan 8.270 nan 0.000 0.418 725 L N -0.454 120.666 121.223 -0.171 0.000 2.464 725 L HA 0.087 4.427 4.340 0.001 0.000 0.264 725 L C -0.870 175.937 176.870 -0.106 0.000 1.199 725 L CA -1.699 53.053 54.840 -0.147 0.000 0.818 725 L CB 0.049 42.005 42.059 -0.172 0.000 1.102 725 L HN -0.009 nan 8.230 nan 0.000 0.473 726 P HA -0.193 nan 4.420 nan 0.000 0.216 726 P C 1.500 178.766 177.300 -0.056 0.000 1.154 726 P CA 1.409 64.478 63.100 -0.051 0.000 0.865 726 P CB -0.066 31.619 31.700 -0.026 0.000 0.789 727 C N -1.303 117.955 119.300 -0.071 0.000 2.491 727 C HA 0.159 4.619 4.460 0.001 0.000 0.277 727 C C 2.500 177.421 174.990 -0.115 0.000 1.455 727 C CA -0.477 58.497 59.018 -0.073 0.000 1.758 727 C CB -1.931 25.764 27.740 -0.075 0.000 1.745 727 C HN 0.136 nan 8.230 nan 0.000 0.558 728 R N 1.663 122.086 120.500 -0.128 0.000 2.115 728 R HA -0.194 4.147 4.340 0.001 0.000 0.239 728 R C 1.780 178.002 176.300 -0.129 0.000 1.133 728 R CA 2.686 58.692 56.100 -0.156 0.000 0.935 728 R CB -0.582 29.630 30.300 -0.147 0.000 0.853 728 R HN 0.480 nan 8.270 nan 0.000 0.433 729 D N 0.037 120.388 120.400 -0.083 0.000 2.123 729 D HA -0.145 4.496 4.640 0.001 0.000 0.196 729 D C 1.772 178.066 176.300 -0.011 0.000 0.992 729 D CA 1.565 55.541 54.000 -0.041 0.000 0.833 729 D CB -0.401 40.384 40.800 -0.025 0.000 0.954 729 D HN 0.438 nan 8.370 nan 0.000 0.455 730 A N 0.871 123.680 122.820 -0.018 0.000 1.883 730 A HA -0.152 4.169 4.320 0.001 0.000 0.217 730 A C 2.425 180.005 177.584 -0.006 0.000 1.186 730 A CA 1.112 53.156 52.037 0.012 0.000 0.624 730 A CB -0.841 18.175 19.000 0.028 0.000 0.822 730 A HN 0.219 nan 8.150 nan 0.000 0.444 731 L N -1.220 119.917 121.223 -0.144 0.000 2.046 731 L HA -0.204 4.137 4.340 0.001 0.000 0.208 731 L C 2.849 179.615 176.870 -0.173 0.000 1.077 731 L CA 1.131 55.733 54.840 -0.398 0.000 0.747 731 L CB -0.659 40.897 42.059 -0.840 0.000 0.896 731 L HN 0.339 nan 8.230 nan 0.000 0.432 732 M N -0.416 119.153 119.600 -0.052 0.000 2.108 732 M HA -0.232 4.248 4.480 0.001 0.000 0.261 732 M C 2.308 178.873 176.300 0.443 0.000 1.066 732 M CA 1.721 57.148 55.300 0.212 0.000 1.107 732 M CB -0.981 31.647 32.600 0.047 0.000 1.356 732 M HN 0.231 nan 8.290 nan 0.000 0.406 733 Q N 0.760 120.711 119.800 0.252 0.000 2.079 733 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 733 Q C 1.717 177.837 176.000 0.200 0.000 0.974 733 Q CA 1.753 57.691 55.803 0.225 0.000 0.840 733 Q CB -0.126 28.695 28.738 0.139 0.000 0.898 733 Q HN 0.547 nan 8.270 nan 0.000 0.430 734 E N -1.255 119.073 120.200 0.214 0.000 2.077 734 E HA -0.215 4.135 4.350 0.001 0.000 0.193 734 E C 1.674 178.453 176.600 0.299 0.000 0.989 734 E CA 1.246 57.793 56.400 0.245 0.000 0.800 734 E CB -0.263 29.641 29.700 0.340 0.000 0.746 734 E HN 0.488 nan 8.360 nan 0.000 0.452 735 Y N 1.544 122.015 120.300 0.284 0.000 2.163 735 Y HA -0.256 4.294 4.550 0.001 0.000 0.288 735 Y C 2.224 178.171 175.900 0.077 0.000 1.136 735 Y CA 1.731 60.037 58.100 0.342 0.000 1.147 735 Y CB 0.038 38.774 38.460 0.459 0.000 0.987 735 Y HN 0.002 nan 8.280 nan 0.000 0.509 736 D N 0.281 120.743 120.400 0.104 0.000 2.106 736 D HA -0.221 4.419 4.640 0.001 0.000 0.191 736 D C 1.600 177.899 176.300 -0.000 0.000 0.997 736 D CA 1.998 55.863 54.000 -0.226 0.000 0.834 736 D CB -0.377 40.251 40.800 -0.286 0.000 0.956 736 D HN 0.394 nan 8.370 nan 0.000 0.448 737 D N -0.187 120.234 120.400 0.036 0.000 2.144 737 D HA -0.142 4.498 4.640 0.001 0.000 0.199 737 D C 1.951 178.268 176.300 0.028 0.000 0.984 737 D CA 0.795 54.824 54.000 0.047 0.000 0.834 737 D CB -0.185 40.624 40.800 0.016 0.000 0.955 737 D HN 0.361 nan 8.370 nan 0.000 0.465 738 K N -0.971 119.343 120.400 -0.144 0.000 2.116 738 K HA -0.083 4.237 4.320 0.001 0.000 0.203 738 K C 1.200 177.412 176.600 -0.647 0.000 1.052 738 K CA 0.768 56.755 56.287 -0.500 0.000 0.952 738 K CB 0.069 32.107 32.500 -0.770 0.000 0.729 738 K HN 0.158 nan 8.250 nan 0.000 0.446 739 W N -0.052 121.108 121.300 -0.234 0.000 2.870 739 W HA 0.129 4.790 4.660 0.001 0.000 0.358 739 W C 1.285 177.646 176.519 -0.263 0.000 1.043 739 W CA -0.195 56.958 57.345 -0.320 0.000 1.692 739 W CB 0.313 29.459 29.460 -0.523 0.000 1.100 739 W HN 0.307 nan 8.180 nan 0.000 0.557 740 H N -0.806 118.259 119.070 -0.009 0.000 2.457 740 H HA -0.151 4.405 4.556 0.001 0.000 0.297 740 H C 1.698 177.055 175.328 0.050 0.000 1.092 740 H CA 1.667 57.712 56.048 -0.004 0.000 1.309 740 H CB -0.291 29.458 29.762 -0.022 0.000 1.382 740 H HN 0.091 nan 8.280 nan 0.000 0.535 741 Q N 0.177 119.722 119.800 -0.426 0.000 2.378 741 Q HA -0.003 4.338 4.340 0.001 0.000 0.205 741 Q C 0.224 176.203 176.000 -0.034 0.000 0.954 741 Q CA 0.297 55.981 55.803 -0.198 0.000 0.901 741 Q CB 0.080 28.655 28.738 -0.272 0.000 0.981 741 Q HN 0.485 nan 8.270 nan 0.000 0.483 742 N N 0.724 119.431 118.700 0.012 0.000 2.589 742 N HA 0.106 4.846 4.740 0.001 0.000 0.232 742 N C 0.738 176.268 175.510 0.033 0.000 1.015 742 N CA 0.037 53.112 53.050 0.041 0.000 0.931 742 N CB 1.147 39.692 38.487 0.097 0.000 1.150 742 N HN 0.084 nan 8.380 nan 0.000 0.512 743 G N 3.330 112.152 108.800 0.037 0.000 2.440 743 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 743 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 743 G C 1.486 176.411 174.900 0.042 0.000 1.154 743 G CA 0.577 45.715 45.100 0.063 0.000 0.767 743 G HN 0.587 nan 8.290 nan 0.000 0.552 744 L N 0.151 121.360 121.223 -0.023 0.000 2.083 744 L HA -0.081 4.260 4.340 0.001 0.000 0.209 744 L C 2.987 179.819 176.870 -0.064 0.000 1.083 744 L CA 0.469 55.277 54.840 -0.054 0.000 0.752 744 L CB -0.438 41.561 42.059 -0.099 0.000 0.899 744 L HN 0.109 nan 8.230 nan 0.000 0.433 745 V N -0.773 119.069 119.914 -0.121 0.000 2.358 745 V HA -0.254 3.867 4.120 0.001 0.000 0.246 745 V C 2.530 178.637 176.094 0.022 0.000 1.047 745 V CA 1.298 63.478 62.300 -0.200 0.000 1.035 745 V CB -0.383 31.095 31.823 -0.576 0.000 0.658 745 V HN 0.369 nan 8.190 nan 0.000 0.452 746 M N -0.358 119.269 119.600 0.044 0.000 2.279 746 M HA -0.128 4.352 4.480 0.001 0.000 0.264 746 M C 1.874 178.228 176.300 0.090 0.000 1.062 746 M CA 1.248 56.561 55.300 0.022 0.000 1.099 746 M CB -1.325 31.223 32.600 -0.087 0.000 1.394 746 M HN 0.350 nan 8.290 nan 0.000 0.426 747 D N 0.765 121.293 120.400 0.214 0.000 2.158 747 D HA -0.164 4.477 4.640 0.001 0.000 0.197 747 D C 1.964 178.386 176.300 0.203 0.000 0.995 747 D CA 1.212 55.386 54.000 0.291 0.000 0.846 747 D CB -0.124 40.772 40.800 0.159 0.000 0.941 747 D HN 0.396 nan 8.370 nan 0.000 0.456 748 K N -0.612 119.862 120.400 0.122 0.000 2.057 748 K HA -0.159 4.161 4.320 0.001 0.000 0.207 748 K C 2.052 178.666 176.600 0.023 0.000 1.049 748 K CA 0.915 57.240 56.287 0.063 0.000 0.931 748 K CB -0.182 32.350 32.500 0.053 0.000 0.714 748 K HN 0.227 nan 8.250 nan 0.000 0.440 749 W N 0.614 121.765 121.300 -0.248 0.000 2.409 749 W HA -0.121 4.540 4.660 0.001 0.000 0.299 749 W C 1.477 177.843 176.519 -0.255 0.000 1.203 749 W CA 1.111 58.214 57.345 -0.403 0.000 1.298 749 W CB -0.126 29.046 29.460 -0.481 0.000 1.127 749 W HN -0.101 nan 8.180 nan 0.000 0.528 750 F N 0.555 120.643 119.950 0.230 0.000 2.126 750 F HA -0.202 4.325 4.527 0.001 0.000 0.299 750 F C 2.215 177.987 175.800 -0.047 0.000 1.096 750 F CA 1.529 59.568 58.000 0.065 0.000 1.255 750 F CB -1.326 37.777 39.000 0.171 0.000 0.997 750 F HN -0.153 nan 8.300 nan 0.000 0.479 751 I N -0.527 120.142 120.570 0.164 0.000 2.226 751 I HA -0.315 3.856 4.170 0.001 0.000 0.245 751 I C 2.360 178.458 176.117 -0.031 0.000 1.100 751 I CA 1.190 62.528 61.300 0.063 0.000 1.374 751 I CB -0.517 37.514 38.000 0.052 0.000 1.057 751 I HN 0.107 nan 8.210 nan 0.000 0.413 752 L N -0.113 121.038 121.223 -0.119 0.000 2.046 752 L HA -0.220 4.120 4.340 0.001 0.000 0.208 752 L C 2.776 179.501 176.870 -0.241 0.000 1.077 752 L CA 1.188 55.909 54.840 -0.198 0.000 0.747 752 L CB -0.624 41.257 42.059 -0.296 0.000 0.896 752 L HN 0.336 nan 8.230 nan 0.000 0.432 753 Q N -0.184 119.415 119.800 -0.335 0.000 2.050 753 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 753 Q C 2.402 178.321 176.000 -0.136 0.000 0.980 753 Q CA 1.797 57.404 55.803 -0.327 0.000 0.840 753 Q CB -0.333 28.140 28.738 -0.441 0.000 0.898 753 Q HN 0.539 nan 8.270 nan 0.000 0.424 754 A N 1.036 123.831 122.820 -0.041 0.000 1.969 754 A HA -0.102 4.219 4.320 0.001 0.000 0.218 754 A C 2.045 179.690 177.584 0.102 0.000 1.169 754 A CA 1.828 53.918 52.037 0.088 0.000 0.635 754 A CB -0.451 18.629 19.000 0.133 0.000 0.810 754 A HN 0.485 nan 8.150 nan 0.000 0.445 755 T N -2.869 111.690 114.554 0.009 0.000 3.145 755 T HA 0.288 4.639 4.350 0.001 0.000 0.255 755 T C 0.660 175.341 174.700 -0.032 0.000 1.039 755 T CA 0.458 62.550 62.100 -0.014 0.000 0.928 755 T CB -0.378 68.475 68.868 -0.024 0.000 1.029 755 T HN 0.234 nan 8.240 nan 0.000 0.554 756 S N 3.156 118.829 115.700 -0.045 0.000 2.560 756 S HA 0.210 4.681 4.470 0.001 0.000 0.284 756 S C -1.170 173.410 174.600 -0.032 0.000 1.327 756 S CA -1.156 57.006 58.200 -0.063 0.000 1.055 756 S CB 0.862 64.003 63.200 -0.098 0.000 0.868 756 S HN 0.235 nan 8.310 nan 0.000 0.506 757 P HA 0.181 nan 4.420 nan 0.000 0.249 757 P C 0.079 177.371 177.300 -0.014 0.000 1.229 757 P CA 0.048 63.143 63.100 -0.009 0.000 0.788 757 P CB -0.320 31.390 31.700 0.017 0.000 1.072 758 A N 0.667 123.469 122.820 -0.031 0.000 2.531 758 A HA 0.347 4.667 4.320 0.001 0.000 0.236 758 A C 1.844 179.413 177.584 -0.025 0.000 1.062 758 A CA 0.431 52.446 52.037 -0.036 0.000 0.760 758 A CB 0.020 18.985 19.000 -0.058 0.000 0.995 758 A HN 0.190 nan 8.150 nan 0.000 0.501 759 A N 2.354 125.161 122.820 -0.023 0.000 1.940 759 A HA -0.180 4.141 4.320 0.001 0.000 0.219 759 A C 1.547 179.114 177.584 -0.028 0.000 1.176 759 A CA 1.849 53.874 52.037 -0.020 0.000 0.631 759 A CB -0.586 18.403 19.000 -0.019 0.000 0.814 759 A HN 1.071 nan 8.150 nan 0.000 0.446 760 N N 0.272 118.948 118.700 -0.040 0.000 2.322 760 N HA 0.031 4.772 4.740 0.001 0.000 0.216 760 N C 0.919 176.384 175.510 -0.075 0.000 1.144 760 N CA 0.604 53.620 53.050 -0.056 0.000 0.830 760 N CB -0.294 38.159 38.487 -0.058 0.000 1.034 760 N HN 0.185 nan 8.380 nan 0.000 0.484 761 V N 0.367 120.251 119.914 -0.050 0.000 2.332 761 V HA -0.222 3.899 4.120 0.001 0.000 0.248 761 V C 2.082 178.096 176.094 -0.133 0.000 1.055 761 V CA 1.454 63.725 62.300 -0.050 0.000 1.038 761 V CB -0.436 31.411 31.823 0.039 0.000 0.651 761 V HN 0.364 nan 8.190 nan 0.000 0.450 762 L N 0.694 121.832 121.223 -0.141 0.000 2.046 762 L HA -0.170 4.171 4.340 0.001 0.000 0.208 762 L C 2.485 179.095 176.870 -0.432 0.000 1.077 762 L CA 2.747 57.336 54.840 -0.419 0.000 0.747 762 L CB -1.081 40.797 42.059 -0.302 0.000 0.896 762 L HN 0.619 nan 8.230 nan 0.000 0.432 763 E N -1.293 118.755 120.200 -0.252 0.000 2.097 763 E HA -0.256 4.094 4.350 0.001 0.000 0.196 763 E C 1.825 178.304 176.600 -0.202 0.000 1.000 763 E CA 2.050 58.329 56.400 -0.201 0.000 0.804 763 E CB -0.113 29.513 29.700 -0.124 0.000 0.740 763 E HN 0.596 nan 8.360 nan 0.000 0.454 764 T N 0.403 114.843 114.554 -0.190 0.000 2.737 764 T HA -0.118 4.233 4.350 0.001 0.000 0.265 764 T C 1.965 176.539 174.700 -0.210 0.000 1.038 764 T CA 1.305 63.309 62.100 -0.161 0.000 1.144 764 T CB -0.267 68.513 68.868 -0.147 0.000 0.866 764 T HN 0.033 nan 8.240 nan 0.000 0.434 765 V N 1.659 121.377 119.914 -0.327 0.000 2.252 765 V HA -0.240 3.880 4.120 0.001 0.000 0.249 765 V C 2.686 178.511 176.094 -0.450 0.000 1.056 765 V CA 1.754 63.794 62.300 -0.433 0.000 1.022 765 V CB -0.592 30.815 31.823 -0.692 0.000 0.641 765 V HN 0.394 nan 8.190 nan 0.000 0.445 766 R N -0.051 120.131 120.500 -0.531 0.000 2.096 766 R HA -0.164 4.177 4.340 0.001 0.000 0.240 766 R C 2.474 178.680 176.300 -0.157 0.000 1.139 766 R CA 1.650 57.553 56.100 -0.329 0.000 0.952 766 R CB -0.975 29.149 30.300 -0.293 0.000 0.854 766 R HN 0.617 nan 8.270 nan 0.000 0.436 767 G N 1.032 109.754 108.800 -0.131 0.000 2.442 767 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 767 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 767 G C 1.386 176.291 174.900 0.009 0.000 1.141 767 G CA 0.432 45.508 45.100 -0.040 0.000 0.763 767 G HN 0.178 nan 8.290 nan 0.000 0.554 768 L N 0.246 121.453 121.223 -0.026 0.000 2.456 768 L HA 0.113 4.454 4.340 0.001 0.000 0.224 768 L C 2.493 179.285 176.870 -0.129 0.000 1.148 768 L CA -0.061 54.814 54.840 0.059 0.000 0.825 768 L CB -0.217 41.884 42.059 0.071 0.000 0.937 768 L HN 0.203 nan 8.230 nan 0.000 0.450 769 L N -0.495 120.581 121.223 -0.245 0.000 2.353 769 L HA -0.181 4.160 4.340 0.001 0.000 0.220 769 L C 1.970 178.911 176.870 0.118 0.000 1.133 769 L CA 0.735 55.421 54.840 -0.256 0.000 0.798 769 L CB -0.297 41.706 42.059 -0.093 0.000 0.922 769 L HN 0.402 nan 8.230 nan 0.000 0.445 770 Q N -1.833 118.044 119.800 0.129 0.000 2.282 770 Q HA 0.107 4.447 4.340 0.001 0.000 0.206 770 Q C 0.427 176.561 176.000 0.224 0.000 0.878 770 Q CA 0.068 55.972 55.803 0.168 0.000 0.944 770 Q CB -0.095 28.703 28.738 0.101 0.000 1.100 770 Q HN 0.410 nan 8.270 nan 0.000 0.509 771 H N 2.343 121.551 119.070 0.230 0.000 2.815 771 H HA 0.014 4.570 4.556 0.001 0.000 0.350 771 H C 1.312 176.817 175.328 0.295 0.000 1.080 771 H CA 0.530 56.756 56.048 0.296 0.000 1.433 771 H CB 0.851 30.908 29.762 0.492 0.000 1.432 771 H HN 0.177 nan 8.280 nan 0.000 0.592 772 R N 1.927 122.356 120.500 -0.118 0.000 2.170 772 R HA -0.099 4.242 4.340 0.001 0.000 0.242 772 R C 1.069 177.545 176.300 0.293 0.000 1.145 772 R CA 1.846 57.966 56.100 0.034 0.000 0.984 772 R CB -0.119 30.098 30.300 -0.138 0.000 0.869 772 R HN 0.248 nan 8.270 nan 0.000 0.455 773 S N -0.412 115.688 115.700 0.667 0.000 2.556 773 S HA 0.151 4.621 4.470 0.001 0.000 0.216 773 S C -0.289 174.699 174.600 0.646 0.000 0.970 773 S CA -0.524 58.043 58.200 0.611 0.000 0.912 773 S CB 0.047 63.578 63.200 0.552 0.000 0.790 773 S HN 0.269 nan 8.310 nan 0.000 0.504 774 F N 2.394 122.619 119.950 0.459 0.000 2.399 774 F HA 0.616 5.143 4.527 0.001 0.000 0.334 774 F C 0.066 175.917 175.800 0.085 0.000 1.097 774 F CA -0.080 57.984 58.000 0.107 0.000 1.076 774 F CB 1.563 40.510 39.000 -0.089 0.000 1.162 774 F HN -0.137 nan 8.300 nan 0.000 0.495 775 T N 6.718 120.684 114.554 -0.981 0.000 3.041 775 T HA 0.228 4.579 4.350 0.001 0.000 0.321 775 T C 0.501 174.689 174.700 -0.854 0.000 1.184 775 T CA -0.779 60.938 62.100 -0.639 0.000 1.050 775 T CB 1.033 69.794 68.868 -0.177 0.000 1.159 775 T HN 0.641 nan 8.240 nan 0.000 0.469 776 M N 2.857 122.204 119.600 -0.421 0.000 2.549 776 M HA 0.022 4.502 4.480 0.001 0.000 0.260 776 M C 2.218 178.449 176.300 -0.114 0.000 1.076 776 M CA 1.051 56.233 55.300 -0.197 0.000 1.090 776 M CB -1.206 31.397 32.600 0.005 0.000 1.418 776 M HN 0.803 nan 8.290 nan 0.000 0.486 777 S N -0.648 115.012 115.700 -0.068 0.000 2.562 777 S HA 0.014 4.484 4.470 0.001 0.000 0.221 777 S C 0.758 175.484 174.600 0.210 0.000 0.975 777 S CA -0.133 58.110 58.200 0.071 0.000 0.918 777 S CB -0.136 63.134 63.200 0.117 0.000 0.772 777 S HN 0.471 nan 8.310 nan 0.000 0.531 778 N N 1.598 120.304 118.700 0.010 0.000 2.479 778 N HA 0.348 5.088 4.740 0.001 0.000 0.261 778 N C -2.594 172.825 175.510 -0.152 0.000 0.979 778 N CA -1.957 51.025 53.050 -0.113 0.000 0.930 778 N CB 2.102 40.375 38.487 -0.357 0.000 1.172 778 N HN -0.123 nan 8.380 nan 0.000 0.499 779 P HA -0.089 nan 4.420 nan 0.000 0.216 779 P C 0.676 177.929 177.300 -0.078 0.000 1.150 779 P CA 1.287 64.342 63.100 -0.075 0.000 0.843 779 P CB 0.452 32.118 31.700 -0.057 0.000 0.787 780 N N -1.052 117.586 118.700 -0.104 0.000 2.084 780 N HA -0.126 4.614 4.740 0.001 0.000 0.190 780 N C 1.702 177.191 175.510 -0.035 0.000 1.030 780 N CA 1.092 54.099 53.050 -0.071 0.000 0.849 780 N CB -0.593 37.837 38.487 -0.095 0.000 1.012 780 N HN 0.040 nan 8.380 nan 0.000 0.423 781 R N 0.764 121.206 120.500 -0.095 0.000 2.081 781 R HA 0.015 4.355 4.340 0.001 0.000 0.235 781 R C 2.297 178.615 176.300 0.030 0.000 1.131 781 R CA 0.702 56.746 56.100 -0.094 0.000 0.960 781 R CB -1.096 28.966 30.300 -0.396 0.000 0.856 781 R HN 0.363 nan 8.270 nan 0.000 0.436 782 I N 0.718 121.270 120.570 -0.031 0.000 2.163 782 I HA -0.286 3.884 4.170 0.001 0.000 0.243 782 I C 2.544 178.720 176.117 0.098 0.000 1.085 782 I CA 1.503 62.867 61.300 0.107 0.000 1.347 782 I CB -0.268 37.741 38.000 0.014 0.000 1.044 782 I HN 0.121 nan 8.210 nan 0.000 0.408 783 R N 0.513 121.038 120.500 0.042 0.000 2.115 783 R HA -0.119 4.222 4.340 0.001 0.000 0.230 783 R C 2.523 178.863 176.300 0.066 0.000 1.111 783 R CA 1.692 57.814 56.100 0.036 0.000 0.976 783 R CB -0.396 29.910 30.300 0.009 0.000 0.870 783 R HN 0.479 nan 8.270 nan 0.000 0.445 784 S N 0.297 116.054 115.700 0.095 0.000 2.428 784 S HA -0.069 4.401 4.470 0.001 0.000 0.230 784 S C 1.796 176.493 174.600 0.162 0.000 1.014 784 S CA 0.636 58.923 58.200 0.145 0.000 0.957 784 S CB -0.006 63.333 63.200 0.232 0.000 0.784 784 S HN 0.202 nan 8.310 nan 0.000 0.499 785 L N 0.627 121.912 121.223 0.104 0.000 2.379 785 L HA 0.514 4.854 4.340 0.001 0.000 0.190 785 L C 2.082 178.999 176.870 0.077 0.000 1.111 785 L CA 1.002 55.853 54.840 0.019 0.000 0.820 785 L CB -0.495 41.381 42.059 -0.305 0.000 1.046 785 L HN 0.250 nan 8.230 nan 0.000 0.485 786 I N -0.241 120.390 120.570 0.102 0.000 2.277 786 I HA -0.054 4.116 4.170 0.001 0.000 0.243 786 I C 2.422 178.633 176.117 0.158 0.000 1.094 786 I CA 1.156 62.559 61.300 0.172 0.000 1.393 786 I CB -1.014 37.040 38.000 0.090 0.000 1.078 786 I HN 0.393 nan 8.210 nan 0.000 0.417 787 G N 0.704 109.553 108.800 0.081 0.000 2.446 787 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 787 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 787 G C 1.868 176.782 174.900 0.024 0.000 1.168 787 G CA 0.898 46.014 45.100 0.026 0.000 0.771 787 G HN 0.474 nan 8.290 nan 0.000 0.551 788 A N 0.255 123.113 122.820 0.064 0.000 1.933 788 A HA 0.064 4.385 4.320 0.001 0.000 0.218 788 A C 2.162 179.783 177.584 0.061 0.000 1.175 788 A CA 1.612 53.681 52.037 0.053 0.000 0.628 788 A CB -0.531 18.512 19.000 0.072 0.000 0.814 788 A HN 0.415 nan 8.150 nan 0.000 0.444 789 F N 0.960 120.900 119.950 -0.017 0.000 2.051 789 F HA -0.073 4.454 4.527 0.001 0.000 0.296 789 F C 2.521 178.289 175.800 -0.053 0.000 1.122 789 F CA 1.584 59.578 58.000 -0.009 0.000 1.201 789 F CB -0.529 38.495 39.000 0.041 0.000 0.978 789 F HN 0.230 nan 8.300 nan 0.000 0.472 790 A N -0.244 122.509 122.820 -0.113 0.000 1.929 790 A HA 0.061 4.382 4.320 0.001 0.000 0.216 790 A C 2.346 179.543 177.584 -0.646 0.000 1.176 790 A CA 1.544 53.179 52.037 -0.671 0.000 0.628 790 A CB -1.610 17.011 19.000 -0.631 0.000 0.816 790 A HN 0.537 nan 8.150 nan 0.000 0.444 791 G N -2.023 106.594 108.800 -0.305 0.000 2.545 791 G HA2 0.179 4.140 3.960 0.001 0.000 0.212 791 G HA3 0.179 4.140 3.960 0.001 0.000 0.212 791 G C 1.318 176.160 174.900 -0.096 0.000 1.144 791 G CA 1.044 46.035 45.100 -0.181 0.000 0.813 791 G HN 0.464 nan 8.290 nan 0.000 0.531 792 S N -0.093 115.551 115.700 -0.092 0.000 2.603 792 S HA 0.171 4.642 4.470 0.001 0.000 0.232 792 S C 0.613 175.174 174.600 -0.065 0.000 1.016 792 S CA -0.403 57.767 58.200 -0.049 0.000 0.976 792 S CB 0.337 63.523 63.200 -0.023 0.000 0.921 792 S HN 0.251 nan 8.310 nan 0.000 0.516 793 N N 2.244 120.862 118.700 -0.137 0.000 2.735 793 N HA 0.261 5.001 4.740 0.001 0.000 0.312 793 N C -2.243 173.170 175.510 -0.163 0.000 1.843 793 N CA -2.054 50.896 53.050 -0.166 0.000 0.945 793 N CB 0.821 39.165 38.487 -0.238 0.000 1.299 793 N HN 0.051 nan 8.380 nan 0.000 0.489 794 P HA -0.114 nan 4.420 nan 0.000 0.219 794 P C 1.099 178.502 177.300 0.173 0.000 1.146 794 P CA 0.813 64.028 63.100 0.192 0.000 0.808 794 P CB 0.333 32.212 31.700 0.298 0.000 0.779 795 A N 0.558 123.406 122.820 0.047 0.000 1.902 795 A HA -0.077 4.243 4.320 0.001 0.000 0.217 795 A C 2.453 180.017 177.584 -0.033 0.000 1.181 795 A CA 2.296 54.343 52.037 0.016 0.000 0.623 795 A CB -1.426 17.564 19.000 -0.017 0.000 0.818 795 A HN 0.259 nan 8.150 nan 0.000 0.443 796 A N -1.637 121.116 122.820 -0.111 0.000 1.903 796 A HA 0.146 4.467 4.320 0.001 0.000 0.213 796 A C 1.979 179.408 177.584 -0.258 0.000 1.185 796 A CA 1.241 53.191 52.037 -0.144 0.000 0.628 796 A CB -0.639 18.299 19.000 -0.103 0.000 0.830 796 A HN 0.627 nan 8.150 nan 0.000 0.446 797 F N 0.686 120.246 119.950 -0.651 0.000 2.161 797 F HA -0.164 4.363 4.527 0.001 0.000 0.300 797 F C 1.715 177.159 175.800 -0.593 0.000 1.089 797 F CA 1.657 59.261 58.000 -0.660 0.000 1.282 797 F CB -0.180 38.424 39.000 -0.660 0.000 1.010 797 F HN 0.368 nan 8.300 nan 0.000 0.485 798 H N 0.449 119.288 119.070 -0.386 0.000 2.568 798 H HA 0.440 4.996 4.556 0.001 0.000 0.302 798 H C 0.726 175.863 175.328 -0.320 0.000 1.065 798 H CA 0.217 56.011 56.048 -0.424 0.000 1.140 798 H CB -0.857 28.806 29.762 -0.164 0.000 1.474 798 H HN 0.185 nan 8.280 nan 0.000 0.545 799 A N 1.094 123.752 122.820 -0.270 0.000 2.587 799 A HA -0.080 4.241 4.320 0.001 0.000 0.235 799 A C 1.410 178.894 177.584 -0.167 0.000 1.044 799 A CA 0.053 51.988 52.037 -0.170 0.000 0.754 799 A CB 0.370 19.277 19.000 -0.153 0.000 0.968 799 A HN 0.491 nan 8.150 nan 0.000 0.509 800 E N 1.028 121.186 120.200 -0.071 0.000 2.265 800 E HA -0.198 4.152 4.350 0.001 0.000 0.196 800 E C 0.687 177.265 176.600 -0.036 0.000 0.996 800 E CA 1.261 57.643 56.400 -0.030 0.000 0.832 800 E CB -0.023 29.675 29.700 -0.002 0.000 0.756 800 E HN 0.923 nan 8.360 nan 0.000 0.491 801 D N -0.431 119.930 120.400 -0.064 0.000 2.363 801 D HA -0.024 4.617 4.640 0.001 0.000 0.220 801 D C 1.355 177.613 176.300 -0.069 0.000 0.994 801 D CA 0.833 54.803 54.000 -0.051 0.000 0.890 801 D CB -0.076 40.697 40.800 -0.046 0.000 0.906 801 D HN 0.180 nan 8.370 nan 0.000 0.530 802 G N 0.247 108.950 108.800 -0.161 0.000 2.162 802 G HA2 -0.383 3.577 3.960 0.001 0.000 0.260 802 G HA3 -0.383 3.577 3.960 0.001 0.000 0.260 802 G C 1.232 175.970 174.900 -0.270 0.000 0.976 802 G CA 1.079 46.046 45.100 -0.222 0.000 0.655 802 G HN 0.668 nan 8.290 nan 0.000 0.533 803 S N -0.344 115.229 115.700 -0.212 0.000 2.399 803 S HA 0.079 4.549 4.470 0.001 0.000 0.231 803 S C 2.483 177.034 174.600 -0.080 0.000 1.022 803 S CA 1.653 59.788 58.200 -0.109 0.000 0.983 803 S CB -0.700 62.453 63.200 -0.078 0.000 0.803 803 S HN 1.558 nan 8.310 nan 0.000 0.480 804 G N 0.634 109.285 108.800 -0.248 0.000 2.418 804 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 804 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 804 G C 1.195 176.083 174.900 -0.020 0.000 1.158 804 G CA 0.911 45.977 45.100 -0.057 0.000 0.771 804 G HN 0.611 nan 8.290 nan 0.000 0.545 805 Y N 0.803 120.980 120.300 -0.205 0.000 2.181 805 Y HA 0.065 4.616 4.550 0.001 0.000 0.288 805 Y C 2.751 178.685 175.900 0.056 0.000 1.146 805 Y CA 0.234 58.269 58.100 -0.107 0.000 1.164 805 Y CB -0.916 37.428 38.460 -0.193 0.000 0.982 805 Y HN 0.073 nan 8.280 nan 0.000 0.515 806 L N -1.587 119.737 121.223 0.169 0.000 2.046 806 L HA -0.214 4.127 4.340 0.001 0.000 0.208 806 L C 2.348 179.312 176.870 0.156 0.000 1.077 806 L CA 1.441 56.362 54.840 0.135 0.000 0.747 806 L CB -0.712 41.401 42.059 0.091 0.000 0.896 806 L HN 0.181 nan 8.230 nan 0.000 0.432 807 F N 0.826 120.805 119.950 0.048 0.000 2.102 807 F HA -0.256 4.271 4.527 0.001 0.000 0.298 807 F C 2.236 178.083 175.800 0.078 0.000 1.105 807 F CA 1.528 59.542 58.000 0.024 0.000 1.239 807 F CB -0.311 38.666 39.000 -0.039 0.000 0.991 807 F HN -0.087 nan 8.300 nan 0.000 0.474 808 L N -0.050 121.213 121.223 0.067 0.000 2.083 808 L HA -0.128 4.213 4.340 0.001 0.000 0.209 808 L C 2.275 179.109 176.870 -0.059 0.000 1.083 808 L CA 1.500 56.326 54.840 -0.023 0.000 0.752 808 L CB -0.961 41.275 42.059 0.295 0.000 0.899 808 L HN 0.074 nan 8.230 nan 0.000 0.433 809 V N -0.191 119.739 119.914 0.026 0.000 2.332 809 V HA -0.335 3.786 4.120 0.001 0.000 0.248 809 V C 2.603 178.669 176.094 -0.047 0.000 1.055 809 V CA 2.102 64.406 62.300 0.007 0.000 1.038 809 V CB -0.671 31.177 31.823 0.042 0.000 0.651 809 V HN 0.597 nan 8.190 nan 0.000 0.450 810 E N -0.490 119.662 120.200 -0.079 0.000 2.058 810 E HA -0.251 4.099 4.350 0.001 0.000 0.194 810 E C 2.304 178.815 176.600 -0.149 0.000 0.997 810 E CA 1.552 57.895 56.400 -0.095 0.000 0.801 810 E CB -0.057 29.596 29.700 -0.078 0.000 0.746 810 E HN 0.386 nan 8.360 nan 0.000 0.450 811 M N 0.260 119.690 119.600 -0.284 0.000 2.132 811 M HA -0.122 4.358 4.480 0.001 0.000 0.263 811 M C 2.413 178.634 176.300 -0.131 0.000 1.065 811 M CA 1.171 56.317 55.300 -0.257 0.000 1.122 811 M CB -0.854 31.493 32.600 -0.421 0.000 1.365 811 M HN 0.209 nan 8.290 nan 0.000 0.411 812 L N -0.749 120.410 121.223 -0.108 0.000 2.217 812 L HA -0.127 4.213 4.340 0.001 0.000 0.211 812 L C 2.327 179.174 176.870 -0.038 0.000 1.107 812 L CA 0.829 55.634 54.840 -0.058 0.000 0.783 812 L CB -0.896 41.141 42.059 -0.037 0.000 0.919 812 L HN 0.298 nan 8.230 nan 0.000 0.442 813 T N -1.016 113.516 114.554 -0.038 0.000 2.788 813 T HA -0.214 4.137 4.350 0.001 0.000 0.268 813 T C 1.610 176.299 174.700 -0.019 0.000 1.044 813 T CA 1.582 63.670 62.100 -0.020 0.000 1.139 813 T CB -0.180 68.679 68.868 -0.015 0.000 0.867 813 T HN 0.392 nan 8.240 nan 0.000 0.454 814 D N 1.207 121.591 120.400 -0.028 0.000 2.084 814 D HA -0.042 4.598 4.640 0.001 0.000 0.196 814 D C 2.086 178.372 176.300 -0.022 0.000 0.985 814 D CA 0.977 54.966 54.000 -0.020 0.000 0.826 814 D CB -0.230 40.559 40.800 -0.018 0.000 0.978 814 D HN 0.319 nan 8.370 nan 0.000 0.456 815 L N 0.528 121.732 121.223 -0.031 0.000 2.217 815 L HA -0.094 4.247 4.340 0.001 0.000 0.211 815 L C 2.297 179.147 176.870 -0.033 0.000 1.107 815 L CA 0.641 55.460 54.840 -0.034 0.000 0.783 815 L CB -0.542 41.492 42.059 -0.041 0.000 0.919 815 L HN 0.094 nan 8.230 nan 0.000 0.442 816 N N -0.208 118.477 118.700 -0.025 0.000 2.149 816 N HA -0.195 4.546 4.740 0.001 0.000 0.188 816 N C 1.803 177.303 175.510 -0.016 0.000 1.019 816 N CA 1.877 54.918 53.050 -0.016 0.000 0.857 816 N CB 0.081 38.566 38.487 -0.004 0.000 0.997 816 N HN 0.109 nan 8.380 nan 0.000 0.426 817 S N -0.768 114.923 115.700 -0.015 0.000 2.421 817 S HA 0.090 4.560 4.470 0.001 0.000 0.224 817 S C 1.770 176.356 174.600 -0.023 0.000 1.035 817 S CA 0.131 58.323 58.200 -0.014 0.000 0.953 817 S CB -0.042 63.154 63.200 -0.008 0.000 0.810 817 S HN 0.356 nan 8.310 nan 0.000 0.497 818 R N 1.300 121.783 120.500 -0.028 0.000 2.062 818 R HA 0.084 4.425 4.340 0.001 0.000 0.226 818 R C -0.035 176.229 176.300 -0.059 0.000 1.125 818 R CA 1.145 57.222 56.100 -0.037 0.000 0.966 818 R CB 0.158 30.439 30.300 -0.031 0.000 0.861 818 R HN 0.227 nan 8.270 nan 0.000 0.433 819 N N -0.673 117.988 118.700 -0.064 0.000 2.839 819 N HA 0.149 4.889 4.740 0.001 0.000 0.230 819 N C -2.513 172.947 175.510 -0.084 0.000 1.388 819 N CA -1.368 51.627 53.050 -0.092 0.000 0.747 819 N CB 1.680 40.108 38.487 -0.097 0.000 1.411 819 N HN -0.119 nan 8.380 nan 0.000 0.556 820 P HA -0.117 nan 4.420 nan 0.000 0.218 820 P C 1.142 178.397 177.300 -0.076 0.000 1.148 820 P CA 1.295 64.359 63.100 -0.061 0.000 0.822 820 P CB 0.550 32.222 31.700 -0.048 0.000 0.784 821 Q N -0.756 118.979 119.800 -0.109 0.000 2.084 821 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 821 Q C 2.058 177.992 176.000 -0.110 0.000 0.978 821 Q CA 1.334 57.062 55.803 -0.124 0.000 0.844 821 Q CB -0.663 27.968 28.738 -0.179 0.000 0.898 821 Q HN 0.125 nan 8.270 nan 0.000 0.426 822 V N 0.797 120.647 119.914 -0.107 0.000 2.515 822 V HA -0.228 3.893 4.120 0.001 0.000 0.250 822 V C 2.226 178.280 176.094 -0.067 0.000 1.058 822 V CA 1.559 63.808 62.300 -0.086 0.000 1.064 822 V CB -0.914 30.860 31.823 -0.080 0.000 0.675 822 V HN 0.364 nan 8.190 nan 0.000 0.461 823 A N -0.513 122.269 122.820 -0.062 0.000 1.908 823 A HA -0.251 4.069 4.320 0.001 0.000 0.218 823 A C 2.559 180.114 177.584 -0.049 0.000 1.181 823 A CA 2.316 54.323 52.037 -0.050 0.000 0.627 823 A CB -0.800 18.175 19.000 -0.041 0.000 0.818 823 A HN 0.469 nan 8.150 nan 0.000 0.445 824 S N -0.920 114.748 115.700 -0.053 0.000 2.402 824 S HA -0.143 4.328 4.470 0.001 0.000 0.229 824 S C 2.150 176.714 174.600 -0.061 0.000 1.021 824 S CA 1.208 59.376 58.200 -0.053 0.000 0.974 824 S CB -0.342 62.823 63.200 -0.058 0.000 0.800 824 S HN 0.608 nan 8.310 nan 0.000 0.484 825 R N -0.026 120.435 120.500 -0.066 0.000 2.091 825 R HA -0.040 4.300 4.340 0.001 0.000 0.238 825 R C 1.911 178.175 176.300 -0.059 0.000 1.136 825 R CA 1.414 57.476 56.100 -0.063 0.000 0.959 825 R CB -0.437 29.824 30.300 -0.065 0.000 0.856 825 R HN 0.326 nan 8.270 nan 0.000 0.437 826 L N 0.262 121.450 121.223 -0.059 0.000 2.395 826 L HA 0.015 4.355 4.340 0.001 0.000 0.218 826 L C 2.004 178.832 176.870 -0.070 0.000 1.130 826 L CA 1.031 55.832 54.840 -0.066 0.000 0.826 826 L CB -0.152 41.872 42.059 -0.058 0.000 0.941 826 L HN 0.161 nan 8.230 nan 0.000 0.451 827 I N -0.971 119.570 120.570 -0.048 0.000 2.928 827 I HA -0.193 3.977 4.170 0.001 0.000 0.266 827 I C 2.247 178.351 176.117 -0.023 0.000 1.234 827 I CA 0.408 61.692 61.300 -0.026 0.000 1.483 827 I CB 0.283 38.274 38.000 -0.015 0.000 1.097 827 I HN 0.245 nan 8.210 nan 0.000 0.455 828 E N 1.619 121.797 120.200 -0.037 0.000 2.086 828 E HA -0.232 4.118 4.350 0.001 0.000 0.200 828 E C -0.759 175.844 176.600 0.006 0.000 1.012 828 E CA 2.068 58.458 56.400 -0.017 0.000 0.812 828 E CB -1.063 28.623 29.700 -0.024 0.000 0.743 828 E HN 0.353 nan 8.360 nan 0.000 0.453 829 P HA -0.132 nan 4.420 nan 0.000 0.221 829 P C 1.076 178.473 177.300 0.161 0.000 1.145 829 P CA 0.772 63.860 63.100 -0.021 0.000 0.795 829 P CB 0.063 31.512 31.700 -0.418 0.000 0.775 830 L N -0.336 120.969 121.223 0.137 0.000 2.240 830 L HA 0.023 4.363 4.340 0.001 0.000 0.211 830 L C 1.874 178.796 176.870 0.086 0.000 1.106 830 L CA 1.229 56.165 54.840 0.159 0.000 0.793 830 L CB -1.040 41.097 42.059 0.130 0.000 0.927 830 L HN -0.044 nan 8.230 nan 0.000 0.446 831 I N -3.946 116.671 120.570 0.077 0.000 3.564 831 I HA 0.021 4.192 4.170 0.001 0.000 0.294 831 I C 1.317 177.494 176.117 0.101 0.000 1.289 831 I CA 0.415 61.752 61.300 0.062 0.000 1.325 831 I CB -0.338 37.682 38.000 0.034 0.000 1.039 831 I HN -0.020 nan 8.210 nan 0.000 0.474 832 R N 2.000 122.599 120.500 0.165 0.000 2.335 832 R HA 0.190 4.530 4.340 0.001 0.000 0.223 832 R C 2.027 178.517 176.300 0.317 0.000 0.940 832 R CA 0.309 56.554 56.100 0.242 0.000 1.086 832 R CB -0.598 29.910 30.300 0.347 0.000 1.073 832 R HN 0.634 nan 8.270 nan 0.000 0.504 833 L N -1.214 120.133 121.223 0.206 0.000 2.129 833 L HA -0.123 4.218 4.340 0.001 0.000 0.212 833 L C 1.510 178.514 176.870 0.222 0.000 1.087 833 L CA 1.574 56.529 54.840 0.191 0.000 0.757 833 L CB -0.558 41.522 42.059 0.035 0.000 0.896 833 L HN -0.069 nan 8.230 nan 0.000 0.434 834 K N -0.097 120.390 120.400 0.146 0.000 2.555 834 K HA 0.023 4.343 4.320 0.001 0.000 0.193 834 K C 1.639 178.276 176.600 0.063 0.000 1.032 834 K CA 0.263 56.605 56.287 0.092 0.000 1.004 834 K CB 0.044 32.581 32.500 0.063 0.000 0.804 834 K HN 0.306 nan 8.250 nan 0.000 0.496 835 R N -0.264 120.275 120.500 0.066 0.000 2.317 835 R HA 0.111 4.452 4.340 0.001 0.000 0.208 835 R C 0.011 176.065 176.300 -0.410 0.000 0.914 835 R CA 0.399 56.404 56.100 -0.158 0.000 1.060 835 R CB 0.114 30.271 30.300 -0.238 0.000 1.015 835 R HN 0.141 nan 8.270 nan 0.000 0.498 836 Y N 0.308 120.595 120.300 -0.022 0.000 2.602 836 Y HA 0.135 4.685 4.550 0.001 0.000 0.330 836 Y C 0.569 176.452 175.900 -0.028 0.000 1.114 836 Y CA -1.740 56.327 58.100 -0.054 0.000 1.182 836 Y CB 0.758 39.167 38.460 -0.086 0.000 1.305 836 Y HN 0.049 nan 8.280 nan 0.000 0.502 837 D N -0.125 120.355 120.400 0.134 0.000 2.362 837 D HA 0.238 4.878 4.640 0.001 0.000 0.238 837 D C 0.892 177.238 176.300 0.077 0.000 1.212 837 D CA 0.193 54.238 54.000 0.075 0.000 0.902 837 D CB 0.889 41.724 40.800 0.060 0.000 1.180 837 D HN 0.632 nan 8.370 nan 0.000 0.445 838 A N 0.804 123.654 122.820 0.050 0.000 1.940 838 A HA -0.254 4.066 4.320 0.001 0.000 0.219 838 A C 2.038 179.646 177.584 0.040 0.000 1.176 838 A CA 1.822 53.884 52.037 0.041 0.000 0.631 838 A CB -0.841 18.177 19.000 0.030 0.000 0.814 838 A HN 0.714 nan 8.150 nan 0.000 0.446 839 K N -0.465 119.962 120.400 0.046 0.000 2.057 839 K HA -0.146 4.175 4.320 0.001 0.000 0.207 839 K C 2.299 178.935 176.600 0.059 0.000 1.049 839 K CA 1.326 57.642 56.287 0.047 0.000 0.931 839 K CB -0.194 32.335 32.500 0.048 0.000 0.714 839 K HN 0.452 nan 8.250 nan 0.000 0.440 840 R N 0.415 120.963 120.500 0.081 0.000 2.073 840 R HA -0.116 4.225 4.340 0.001 0.000 0.234 840 R C 2.554 178.841 176.300 -0.020 0.000 1.134 840 R CA 1.664 57.818 56.100 0.091 0.000 0.952 840 R CB -0.254 30.129 30.300 0.139 0.000 0.850 840 R HN 0.378 nan 8.270 nan 0.000 0.433 841 Q N 0.270 120.080 119.800 0.017 0.000 2.112 841 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 841 Q C 1.934 177.905 176.000 -0.048 0.000 0.987 841 Q CA 1.299 57.096 55.803 -0.011 0.000 0.858 841 Q CB -0.015 28.742 28.738 0.031 0.000 0.905 841 Q HN 0.259 nan 8.270 nan 0.000 0.420 842 E N 0.793 120.981 120.200 -0.020 0.000 2.106 842 E HA -0.119 4.232 4.350 0.001 0.000 0.192 842 E C 1.784 178.361 176.600 -0.040 0.000 0.984 842 E CA 1.029 57.417 56.400 -0.019 0.000 0.806 842 E CB -0.009 29.693 29.700 0.004 0.000 0.750 842 E HN 0.325 nan 8.360 nan 0.000 0.458 843 K N -0.048 120.326 120.400 -0.045 0.000 2.097 843 K HA -0.001 4.320 4.320 0.001 0.000 0.205 843 K C 2.259 178.727 176.600 -0.220 0.000 1.050 843 K CA 1.126 57.387 56.287 -0.044 0.000 0.938 843 K CB -0.128 32.442 32.500 0.116 0.000 0.718 843 K HN 0.108 nan 8.250 nan 0.000 0.442 844 M N 0.043 119.385 119.600 -0.431 0.000 2.200 844 M HA -0.100 4.381 4.480 0.001 0.000 0.265 844 M C 2.345 178.515 176.300 -0.217 0.000 1.066 844 M CA 1.302 56.287 55.300 -0.525 0.000 1.127 844 M CB -0.135 32.131 32.600 -0.557 0.000 1.379 844 M HN 0.051 nan 8.290 nan 0.000 0.420 845 R N 0.588 121.008 120.500 -0.133 0.000 2.081 845 R HA -0.120 4.220 4.340 0.001 0.000 0.235 845 R C 2.230 178.502 176.300 -0.047 0.000 1.131 845 R CA 1.684 57.745 56.100 -0.065 0.000 0.960 845 R CB -0.296 29.981 30.300 -0.038 0.000 0.856 845 R HN 0.366 nan 8.270 nan 0.000 0.436 846 A N 0.602 123.395 122.820 -0.044 0.000 1.908 846 A HA -0.169 4.152 4.320 0.001 0.000 0.218 846 A C 2.338 179.915 177.584 -0.011 0.000 1.181 846 A CA 1.850 53.877 52.037 -0.017 0.000 0.627 846 A CB -0.885 18.113 19.000 -0.003 0.000 0.818 846 A HN 0.536 nan 8.150 nan 0.000 0.445 847 A N -0.305 122.499 122.820 -0.027 0.000 1.877 847 A HA -0.069 4.251 4.320 0.001 0.000 0.216 847 A C 2.186 179.769 177.584 -0.001 0.000 1.186 847 A CA 1.580 53.617 52.037 -0.001 0.000 0.620 847 A CB -0.667 18.331 19.000 -0.004 0.000 0.822 847 A HN 0.478 nan 8.150 nan 0.000 0.443 848 L N -0.779 120.431 121.223 -0.021 0.000 2.083 848 L HA -0.214 4.126 4.340 0.001 0.000 0.209 848 L C 2.574 179.443 176.870 -0.002 0.000 1.083 848 L CA 1.702 56.535 54.840 -0.011 0.000 0.752 848 L CB -0.553 41.492 42.059 -0.022 0.000 0.899 848 L HN 0.469 nan 8.230 nan 0.000 0.433 849 E N -0.508 119.691 120.200 -0.002 0.000 2.150 849 E HA -0.278 4.073 4.350 0.001 0.000 0.193 849 E C 2.128 178.737 176.600 0.016 0.000 0.985 849 E CA 0.930 57.335 56.400 0.008 0.000 0.814 849 E CB -0.019 29.685 29.700 0.007 0.000 0.752 849 E HN 0.466 nan 8.360 nan 0.000 0.466 850 Q N 0.884 120.693 119.800 0.016 0.000 2.050 850 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 850 Q C 2.165 178.179 176.000 0.023 0.000 0.980 850 Q CA 1.188 57.003 55.803 0.020 0.000 0.840 850 Q CB -0.017 28.734 28.738 0.022 0.000 0.898 850 Q HN 0.273 nan 8.270 nan 0.000 0.424 851 L N 0.606 121.842 121.223 0.021 0.000 2.083 851 L HA -0.182 4.159 4.340 0.001 0.000 0.209 851 L C 2.667 179.559 176.870 0.035 0.000 1.083 851 L CA 1.405 56.260 54.840 0.024 0.000 0.752 851 L CB -0.483 41.587 42.059 0.019 0.000 0.899 851 L HN 0.241 nan 8.230 nan 0.000 0.433 852 K N 0.426 120.847 120.400 0.035 0.000 2.152 852 K HA -0.159 4.162 4.320 0.001 0.000 0.206 852 K C 1.731 178.370 176.600 0.065 0.000 1.048 852 K CA 1.393 57.713 56.287 0.055 0.000 0.933 852 K CB -0.188 32.336 32.500 0.039 0.000 0.721 852 K HN 0.376 nan 8.250 nan 0.000 0.447 853 G N 0.660 109.488 108.800 0.046 0.000 3.042 853 G HA2 0.105 4.066 3.960 0.001 0.000 0.212 853 G HA3 0.105 4.066 3.960 0.001 0.000 0.212 853 G C 0.259 175.181 174.900 0.037 0.000 1.166 853 G CA -0.406 44.720 45.100 0.042 0.000 0.767 853 G HN 0.083 nan 8.290 nan 0.000 0.546 854 L N 1.165 122.411 121.223 0.037 0.000 2.490 854 L HA 0.095 4.436 4.340 0.001 0.000 0.274 854 L C 0.937 177.825 176.870 0.029 0.000 1.201 854 L CA -0.189 54.669 54.840 0.030 0.000 0.869 854 L CB 0.718 42.794 42.059 0.028 0.000 1.123 854 L HN 0.227 nan 8.230 nan 0.000 0.484 855 E N 3.610 123.823 120.200 0.022 0.000 2.414 855 E HA -0.069 4.281 4.350 0.001 0.000 0.263 855 E C 0.005 176.614 176.600 0.016 0.000 1.000 855 E CA 0.003 56.413 56.400 0.018 0.000 0.914 855 E CB 0.171 29.880 29.700 0.014 0.000 0.948 855 E HN 0.652 nan 8.360 nan 0.000 0.444 856 N N 1.780 120.488 118.700 0.013 0.000 2.725 856 N HA -0.250 4.490 4.740 0.001 0.000 0.251 856 N C -0.678 174.841 175.510 0.015 0.000 1.031 856 N CA -0.028 53.028 53.050 0.010 0.000 0.720 856 N CB -0.994 37.498 38.487 0.008 0.000 0.930 856 N HN 0.328 nan 8.380 nan 0.000 0.543 857 L N 1.269 122.508 121.223 0.025 0.000 2.513 857 L HA 0.128 4.469 4.340 0.001 0.000 0.272 857 L C 0.748 177.643 176.870 0.041 0.000 1.187 857 L CA 0.079 54.946 54.840 0.045 0.000 0.895 857 L CB 0.488 42.597 42.059 0.083 0.000 1.147 857 L HN 0.314 nan 8.230 nan 0.000 0.483 858 S N 2.918 118.643 115.700 0.041 0.000 2.579 858 S HA 0.272 4.742 4.470 0.001 0.000 0.275 858 S C 1.376 176.020 174.600 0.073 0.000 1.345 858 S CA -0.247 57.975 58.200 0.036 0.000 1.031 858 S CB 1.051 64.263 63.200 0.020 0.000 0.892 858 S HN 0.894 nan 8.310 nan 0.000 0.529 859 G N 1.429 110.263 108.800 0.056 0.000 2.442 859 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 859 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 859 G C 0.730 175.713 174.900 0.138 0.000 1.141 859 G CA 1.012 46.173 45.100 0.101 0.000 0.763 859 G HN 0.802 nan 8.290 nan 0.000 0.554 860 D N 0.570 121.014 120.400 0.073 0.000 2.106 860 D HA -0.132 4.508 4.640 0.001 0.000 0.191 860 D C 2.484 178.812 176.300 0.046 0.000 0.997 860 D CA 0.846 54.871 54.000 0.042 0.000 0.834 860 D CB -0.299 40.499 40.800 -0.002 0.000 0.956 860 D HN 0.310 nan 8.370 nan 0.000 0.448 861 L N -0.750 120.506 121.223 0.055 0.000 2.109 861 L HA -0.109 4.232 4.340 0.001 0.000 0.207 861 L C 2.306 179.220 176.870 0.074 0.000 1.086 861 L CA 0.702 55.569 54.840 0.045 0.000 0.760 861 L CB -0.478 41.604 42.059 0.039 0.000 0.910 861 L HN 0.128 nan 8.230 nan 0.000 0.437 862 Y N 1.427 121.732 120.300 0.010 0.000 2.114 862 Y HA -0.363 4.188 4.550 0.001 0.000 0.282 862 Y C 2.619 178.535 175.900 0.027 0.000 1.165 862 Y CA 2.257 60.369 58.100 0.020 0.000 1.148 862 Y CB -0.157 38.318 38.460 0.025 0.000 0.972 862 Y HN 0.228 nan 8.280 nan 0.000 0.504 863 E N 0.087 120.327 120.200 0.067 0.000 2.051 863 E HA -0.229 4.121 4.350 0.001 0.000 0.192 863 E C 2.083 178.630 176.600 -0.087 0.000 0.991 863 E CA 1.690 58.084 56.400 -0.011 0.000 0.799 863 E CB -0.090 29.677 29.700 0.111 0.000 0.748 863 E HN 0.525 nan 8.360 nan 0.000 0.449 864 K N 0.077 120.441 120.400 -0.060 0.000 2.057 864 K HA -0.081 4.239 4.320 0.001 0.000 0.206 864 K C 2.262 178.818 176.600 -0.074 0.000 1.050 864 K CA 1.257 57.508 56.287 -0.061 0.000 0.935 864 K CB -0.108 32.363 32.500 -0.049 0.000 0.715 864 K HN 0.226 nan 8.250 nan 0.000 0.439 865 I N 1.525 122.039 120.570 -0.093 0.000 2.226 865 I HA -0.286 3.884 4.170 0.001 0.000 0.245 865 I C 2.710 178.748 176.117 -0.132 0.000 1.100 865 I CA 1.672 62.918 61.300 -0.089 0.000 1.374 865 I CB -0.705 37.254 38.000 -0.068 0.000 1.057 865 I HN 0.341 nan 8.210 nan 0.000 0.413 866 T N -1.131 113.269 114.554 -0.256 0.000 2.777 866 T HA -0.174 4.176 4.350 0.001 0.000 0.266 866 T C 1.853 176.480 174.700 -0.122 0.000 1.040 866 T CA 1.004 62.950 62.100 -0.257 0.000 1.141 866 T CB -0.371 68.199 68.868 -0.496 0.000 0.868 866 T HN 0.276 nan 8.240 nan 0.000 0.444 867 K N 1.563 121.907 120.400 -0.094 0.000 2.063 867 K HA 0.074 4.394 4.320 0.001 0.000 0.208 867 K C 2.778 179.371 176.600 -0.011 0.000 1.048 867 K CA 1.325 57.596 56.287 -0.025 0.000 0.928 867 K CB -0.477 32.023 32.500 0.001 0.000 0.713 867 K HN 0.483 nan 8.250 nan 0.000 0.442 868 A N 0.986 123.793 122.820 -0.021 0.000 1.968 868 A HA -0.047 4.274 4.320 0.001 0.000 0.217 868 A C 1.932 179.514 177.584 -0.004 0.000 1.169 868 A CA 1.037 53.073 52.037 -0.002 0.000 0.638 868 A CB -0.282 18.716 19.000 -0.004 0.000 0.812 868 A HN 0.163 nan 8.150 nan 0.000 0.446 869 L N -0.818 120.393 121.223 -0.019 0.000 2.567 869 L HA 0.201 4.542 4.340 0.001 0.000 0.225 869 L C 1.609 178.476 176.870 -0.004 0.000 1.119 869 L CA -0.041 54.791 54.840 -0.014 0.000 0.871 869 L CB -0.370 41.675 42.059 -0.022 0.000 1.036 869 L HN 0.411 nan 8.230 nan 0.000 0.459 870 A N 0.000 122.818 122.820 -0.003 0.000 2.254 870 A HA 0.000 4.321 4.320 0.001 0.000 0.244 870 A CA 0.000 52.042 52.037 0.009 0.000 0.836 870 A CB 0.000 19.009 19.000 0.015 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486