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 2nya_1_F DATA FIRST_RESID 1 DATA SEQUENCE EAIKWDKAPC RFCGTGCGVL VGTQQGRVVA CQGDPDAPVN RGLNCIKGYF DATA SEQUENCE LPKIMYGKDR LTQPLLRMKN GKYDKEGEFT PITWDQAFDV MEEKFKTALK DATA SEQUENCE EKGPESIGMF GSGQWTIWEG YAASKLFKAG FRSNNIDPNA RHCMASAVVG DATA SEQUENCE FMRTFGMDEP MGCYDDIEQA DAFVLWGANM AEMHPILWSR ITNRRLSNQN DATA SEQUENCE VTVAVLSTYQ HRSFELADNG IIFTPQSDLV ILNYIANYII QNNAINQDFF DATA SEQUENCE SKHVNLRKGA TDIGYGLRPT HPLEKAAKNP GSDASEPMSF EDYKAFVAEY DATA SEQUENCE TLEKTAEMTG VPKDQLEQLA QLYADPNKKV ISYWTMGFNQ HTRGVWANNL DATA SEQUENCE VYNLHLLTGK ISQPGCGPFS LTGQPSACGT AREVGTFAHR LPADMVVTNE DATA SEQUENCE KHRDICEKKW NIPSGTIPAK IGLHAVAQDR ALKDGKLNVY WTMCTNNMQA DATA SEQUENCE GPNINEERMP GWRDPRNFII VSDPYPTVSA LAADLILPTA MWVEKEGAYG DATA SEQUENCE NAERRTQFWR QQVQAPGEAK SDLWQLVQFS RRFKTEEVWP EDLLAKKPEL DATA SEQUENCE RGKTLYEVLY ATPEVSKFPV SELAEDQLND ESRELGFYLQ KGLFEEYAWF DATA SEQUENCE GRGHGHDLAP FDDYHKARGL RWPVVNGKET QWRYSEGNDP YVKAGEGYKF DATA SEQUENCE YGKPDGKAVI FALPFEPAAE APDEEYDLWL STGRVLEHWH TGSMTRRVPE DATA SEQUENCE LHRAFPEAVL FIHPLDAKAR DLRRGDKVKV VSRRGEVISI VETRGRNRPP DATA SEQUENCE QGLVYMPFFD AAQLVNKLTL DATDPLSKET DFKKCAVKLE K 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.572 176.600 -0.047 0.000 1.382 1 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 1 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 2 A N 0.968 123.765 122.820 -0.038 0.000 2.366 2 A HA 0.541 4.866 4.320 0.008 0.000 0.249 2 A C 0.451 177.980 177.584 -0.092 0.000 1.084 2 A CA -0.453 51.564 52.037 -0.034 0.000 0.794 2 A CB 0.157 19.158 19.000 0.001 0.000 1.034 2 A HN 0.413 nan 8.150 nan 0.000 0.491 3 I N 0.922 121.409 120.570 -0.138 0.000 2.775 3 I HA -0.008 4.167 4.170 0.008 0.000 0.290 3 I C 0.922 176.807 176.117 -0.387 0.000 1.203 3 I CA 0.722 61.812 61.300 -0.350 0.000 1.433 3 I CB 0.410 38.077 38.000 -0.555 0.000 1.354 3 I HN 0.552 nan 8.210 nan 0.000 0.579 4 K N 6.530 126.693 120.400 -0.396 0.000 2.263 4 K HA 0.277 4.601 4.320 0.008 0.000 0.272 4 K C -1.604 174.785 176.600 -0.352 0.000 1.033 4 K CA -0.551 55.577 56.287 -0.264 0.000 0.884 4 K CB 0.742 33.160 32.500 -0.136 0.000 1.107 4 K HN 0.380 nan 8.250 nan 0.000 0.460 5 W N 3.173 124.466 121.300 -0.011 0.000 2.391 5 W HA 0.270 4.935 4.660 0.008 0.000 0.311 5 W C 0.003 176.519 176.519 -0.004 0.000 1.087 5 W CA -0.441 56.898 57.345 -0.010 0.000 1.209 5 W CB 1.101 30.559 29.460 -0.005 0.000 1.273 5 W HN 0.503 nan 8.180 nan 0.000 0.482 6 D N 1.955 122.482 120.400 0.212 0.000 2.661 6 D HA 0.247 4.891 4.640 0.008 0.000 0.228 6 D C -0.693 175.692 176.300 0.141 0.000 1.183 6 D CA -0.873 53.215 54.000 0.146 0.000 0.844 6 D CB 1.596 42.446 40.800 0.083 0.000 1.555 6 D HN 0.348 nan 8.370 nan 0.000 0.453 7 K N 0.873 121.359 120.400 0.144 0.000 2.276 7 K HA 0.662 4.987 4.320 0.008 0.000 0.259 7 K C -0.860 175.839 176.600 0.166 0.000 1.001 7 K CA -0.579 55.799 56.287 0.152 0.000 0.927 7 K CB 0.925 33.519 32.500 0.156 0.000 0.969 7 K HN 0.346 nan 8.250 nan 0.000 0.490 8 A N 1.427 124.348 122.820 0.168 0.000 2.590 8 A HA 0.428 4.753 4.320 0.008 0.000 0.296 8 A C -3.002 174.699 177.584 0.195 0.000 1.050 8 A CA -1.336 50.800 52.037 0.165 0.000 0.697 8 A CB 1.418 20.332 19.000 -0.143 0.000 1.277 8 A HN 0.624 nan 8.150 nan 0.000 0.411 9 P HA 0.401 nan 4.420 nan 0.000 0.277 9 P C 0.362 177.742 177.300 0.135 0.000 1.240 9 P CA -0.405 62.824 63.100 0.215 0.000 0.798 9 P CB 0.812 32.709 31.700 0.328 0.000 0.979 10 C N 3.123 122.447 119.300 0.040 0.000 2.665 10 C HA 0.094 4.558 4.460 0.008 0.000 0.416 10 C C 2.334 177.062 174.990 -0.437 0.000 1.305 10 C CA -0.006 58.903 59.018 -0.182 0.000 1.903 10 C CB -0.874 26.789 27.740 -0.127 0.000 2.704 10 C HN 0.648 nan 8.230 nan 0.000 0.629 11 R N 2.583 122.420 120.500 -1.104 0.000 2.235 11 R HA 0.117 4.462 4.340 0.008 0.000 0.213 11 R C 0.625 176.221 176.300 -1.172 0.000 1.059 11 R CA 1.545 56.826 56.100 -1.365 0.000 0.997 11 R CB -0.420 28.560 30.300 -2.201 0.000 0.884 11 R HN 0.837 nan 8.270 nan 0.000 0.462 12 F N -1.207 118.278 119.950 -0.775 0.000 2.646 12 F HA 0.168 4.699 4.527 0.007 0.000 0.180 12 F C 1.473 176.769 175.800 -0.841 0.000 1.185 12 F CA -0.321 56.993 58.000 -1.144 0.000 0.926 12 F CB -0.802 37.612 39.000 -0.977 0.000 1.668 12 F HN -0.005 nan 8.300 nan 0.000 0.658 13 C N 0.912 120.089 119.300 -0.205 0.000 2.639 13 C HA 0.481 4.946 4.460 0.008 0.000 0.360 13 C C 1.914 176.970 174.990 0.111 0.000 1.351 13 C CA -0.361 58.717 59.018 0.100 0.000 2.408 13 C CB 0.107 27.915 27.740 0.113 0.000 2.517 13 C HN 0.862 nan 8.230 nan 0.000 0.696 14 G N 0.601 109.540 108.800 0.231 0.000 2.708 14 G HA2 0.025 3.989 3.960 0.008 0.000 0.210 14 G HA3 0.025 3.989 3.960 0.008 0.000 0.210 14 G C 1.146 176.244 174.900 0.331 0.000 1.141 14 G CA 1.089 46.360 45.100 0.286 0.000 0.788 14 G HN 0.898 nan 8.290 nan 0.000 0.531 15 T N 0.571 115.296 114.554 0.285 0.000 2.708 15 T HA 0.164 4.518 4.350 0.008 0.000 0.266 15 T C 1.973 176.831 174.700 0.263 0.000 1.037 15 T CA 1.525 63.764 62.100 0.232 0.000 1.146 15 T CB -0.362 68.555 68.868 0.083 0.000 0.865 15 T HN 1.100 nan 8.240 nan 0.000 0.435 16 G N 0.716 109.627 108.800 0.185 0.000 2.204 16 G HA2 -0.256 3.709 3.960 0.008 0.000 0.244 16 G HA3 -0.256 3.709 3.960 0.008 0.000 0.244 16 G C 0.249 175.248 174.900 0.166 0.000 1.062 16 G CA -0.294 44.920 45.100 0.191 0.000 0.798 16 G HN 0.661 nan 8.290 nan 0.000 0.496 17 C N 0.617 119.980 119.300 0.105 0.000 2.563 17 C HA 0.462 4.926 4.460 0.008 0.000 0.411 17 C C 1.774 176.823 174.990 0.099 0.000 1.386 17 C CA 0.450 59.518 59.018 0.082 0.000 1.703 17 C CB -0.286 27.480 27.740 0.043 0.000 2.596 17 C HN 1.020 nan 8.230 nan 0.000 0.605 18 G N 2.552 111.413 108.800 0.101 0.000 2.432 18 G HA2 0.487 4.452 3.960 0.008 0.000 0.257 18 G HA3 0.487 4.452 3.960 0.008 0.000 0.257 18 G C -0.708 174.247 174.900 0.092 0.000 1.238 18 G CA -0.122 45.044 45.100 0.109 0.000 0.838 18 G HN 0.706 nan 8.290 nan 0.000 0.547 19 V N 2.335 122.318 119.914 0.116 0.000 2.925 19 V HA 0.453 4.578 4.120 0.008 0.000 0.311 19 V C -0.354 175.819 176.094 0.130 0.000 1.104 19 V CA -0.701 61.671 62.300 0.120 0.000 0.954 19 V CB 2.202 34.120 31.823 0.158 0.000 1.022 19 V HN 0.632 nan 8.190 nan 0.000 0.427 20 L N 4.108 125.410 121.223 0.132 0.000 2.298 20 L HA 0.584 4.929 4.340 0.008 0.000 0.284 20 L C -0.686 176.395 176.870 0.352 0.000 1.013 20 L CA -0.688 54.272 54.840 0.200 0.000 0.824 20 L CB 1.800 43.919 42.059 0.099 0.000 1.221 20 L HN 0.341 nan 8.230 nan 0.000 0.418 21 V N 2.369 122.445 119.914 0.271 0.000 2.407 21 V HA 0.507 4.632 4.120 0.008 0.000 0.278 21 V C 0.665 176.802 176.094 0.072 0.000 1.037 21 V CA -0.471 61.924 62.300 0.158 0.000 0.900 21 V CB 1.475 33.249 31.823 -0.082 0.000 0.983 21 V HN 0.846 nan 8.190 nan 0.000 0.459 22 G N 2.869 111.551 108.800 -0.196 0.000 2.384 22 G HA2 0.601 4.565 3.960 0.008 0.000 0.316 22 G HA3 0.601 4.565 3.960 0.008 0.000 0.316 22 G C -0.102 174.490 174.900 -0.513 0.000 1.160 22 G CA -0.287 44.276 45.100 -0.894 0.000 0.936 22 G HN 0.773 nan 8.290 nan 0.000 0.455 23 T N -0.258 114.041 114.554 -0.425 0.000 2.885 23 T HA 0.719 5.073 4.350 0.008 0.000 0.285 23 T C -0.560 173.993 174.700 -0.244 0.000 1.019 23 T CA -0.831 61.118 62.100 -0.252 0.000 1.010 23 T CB 2.405 71.176 68.868 -0.163 0.000 1.022 23 T HN 0.523 nan 8.240 nan 0.000 0.466 24 Q N 1.218 120.914 119.800 -0.175 0.000 2.263 24 Q HA 0.282 4.626 4.340 0.008 0.000 0.262 24 Q C -1.045 174.893 176.000 -0.104 0.000 0.984 24 Q CA -0.477 55.239 55.803 -0.144 0.000 0.813 24 Q CB 1.246 29.894 28.738 -0.151 0.000 1.299 24 Q HN 0.901 nan 8.270 nan 0.000 0.428 25 Q N 2.211 121.960 119.800 -0.085 0.000 2.463 25 Q HA -0.263 4.081 4.340 0.008 0.000 0.299 25 Q C 0.495 176.460 176.000 -0.059 0.000 1.353 25 Q CA 0.873 56.636 55.803 -0.066 0.000 0.828 25 Q CB -1.758 26.942 28.738 -0.063 0.000 1.157 25 Q HN 1.203 nan 8.270 nan 0.000 0.436 26 G N -0.429 108.339 108.800 -0.054 0.000 2.155 26 G HA2 -0.361 3.604 3.960 0.008 0.000 0.257 26 G HA3 -0.361 3.604 3.960 0.008 0.000 0.257 26 G C 0.036 174.931 174.900 -0.009 0.000 0.983 26 G CA 0.732 45.812 45.100 -0.032 0.000 0.676 26 G HN 0.373 nan 8.290 nan 0.000 0.528 27 R N -1.062 119.418 120.500 -0.035 0.000 2.803 27 R HA 0.582 4.926 4.340 0.008 0.000 0.276 27 R C -0.082 176.221 176.300 0.004 0.000 0.978 27 R CA -0.951 55.148 56.100 -0.001 0.000 0.939 27 R CB 2.172 32.370 30.300 -0.171 0.000 1.179 27 R HN 0.064 nan 8.270 nan 0.000 0.472 28 V N 3.244 123.240 119.914 0.137 0.000 2.470 28 V HA 0.011 4.135 4.120 0.008 0.000 0.276 28 V C 1.137 177.261 176.094 0.050 0.000 1.040 28 V CA 0.134 62.482 62.300 0.080 0.000 1.008 28 V CB 1.017 32.942 31.823 0.169 0.000 0.990 28 V HN 0.782 nan 8.190 nan 0.000 0.477 29 V N 1.757 121.633 119.914 -0.063 0.000 3.612 29 V HA 0.769 4.893 4.120 0.008 0.000 0.268 29 V C 0.580 176.642 176.094 -0.054 0.000 1.365 29 V CA 0.686 62.946 62.300 -0.067 0.000 1.044 29 V CB 0.269 32.025 31.823 -0.112 0.000 0.820 29 V HN 0.865 nan 8.190 nan 0.000 0.444 30 A N -1.245 121.522 122.820 -0.089 0.000 2.566 30 A HA 0.865 5.189 4.320 0.008 0.000 0.292 30 A C -1.267 176.371 177.584 0.090 0.000 1.112 30 A CA -0.132 51.901 52.037 -0.007 0.000 0.707 30 A CB 1.950 20.969 19.000 0.033 0.000 1.302 30 A HN 0.503 nan 8.150 nan 0.000 0.409 31 C N 0.094 119.484 119.300 0.150 0.000 2.985 31 C HA 0.829 5.293 4.460 0.008 0.000 0.314 31 C C -1.756 173.312 174.990 0.129 0.000 1.215 31 C CA -0.263 58.881 59.018 0.209 0.000 1.414 31 C CB 1.871 29.691 27.740 0.133 0.000 1.842 31 C HN 0.913 nan 8.230 nan 0.000 0.477 32 Q N 1.661 121.535 119.800 0.125 0.000 2.340 32 Q HA 0.392 4.736 4.340 0.008 0.000 0.276 32 Q C -0.167 175.831 176.000 -0.003 0.000 1.048 32 Q CA -0.338 55.459 55.803 -0.010 0.000 0.832 32 Q CB 1.742 30.384 28.738 -0.159 0.000 1.373 32 Q HN 1.087 nan 8.270 nan 0.000 0.409 33 G N 1.391 110.182 108.800 -0.014 0.000 2.321 33 G HA2 -0.011 3.954 3.960 0.008 0.000 0.237 33 G HA3 -0.011 3.954 3.960 0.008 0.000 0.237 33 G C -0.137 174.749 174.900 -0.023 0.000 1.282 33 G CA 0.058 45.156 45.100 -0.003 0.000 0.886 33 G HN 0.455 nan 8.290 nan 0.000 0.528 34 D N 3.071 123.473 120.400 0.004 0.000 2.338 34 D HA 0.166 4.810 4.640 0.008 0.000 0.255 34 D C -1.070 175.223 176.300 -0.012 0.000 1.237 34 D CA -2.138 51.858 54.000 -0.006 0.000 0.883 34 D CB 1.499 42.319 40.800 0.033 0.000 1.087 34 D HN 0.017 nan 8.370 nan 0.000 0.485 35 P HA -0.127 nan 4.420 nan 0.000 0.217 35 P C 0.408 177.701 177.300 -0.012 0.000 1.148 35 P CA 1.086 64.168 63.100 -0.031 0.000 0.834 35 P CB 0.344 32.014 31.700 -0.050 0.000 0.783 36 D N -1.498 118.899 120.400 -0.005 0.000 2.360 36 D HA 0.116 4.761 4.640 0.008 0.000 0.210 36 D C 0.706 177.020 176.300 0.022 0.000 1.047 36 D CA 0.126 54.129 54.000 0.006 0.000 0.854 36 D CB 0.040 40.843 40.800 0.005 0.000 0.936 36 D HN 0.076 nan 8.370 nan 0.000 0.514 37 A N 2.198 125.037 122.820 0.032 0.000 2.395 37 A HA 0.291 4.616 4.320 0.008 0.000 0.286 37 A C -1.459 176.156 177.584 0.051 0.000 1.193 37 A CA -0.971 51.097 52.037 0.052 0.000 0.852 37 A CB 0.661 19.701 19.000 0.068 0.000 1.118 37 A HN -0.128 nan 8.150 nan 0.000 0.524 38 P HA -0.145 nan 4.420 nan 0.000 0.219 38 P C 1.551 178.902 177.300 0.085 0.000 1.146 38 P CA 0.866 63.998 63.100 0.054 0.000 0.808 38 P CB 0.039 31.764 31.700 0.042 0.000 0.779 39 V N 0.571 120.556 119.914 0.119 0.000 2.255 39 V HA -0.262 3.862 4.120 0.008 0.000 0.247 39 V C 1.833 177.968 176.094 0.068 0.000 1.051 39 V CA 2.687 65.088 62.300 0.167 0.000 1.018 39 V CB -1.373 30.573 31.823 0.206 0.000 0.641 39 V HN 0.372 nan 8.190 nan 0.000 0.445 40 N N -1.001 117.727 118.700 0.046 0.000 2.168 40 N HA 0.058 4.802 4.740 0.008 0.000 0.216 40 N C 0.952 176.467 175.510 0.008 0.000 1.259 40 N CA 0.078 53.136 53.050 0.013 0.000 0.902 40 N CB 0.086 38.582 38.487 0.016 0.000 1.079 40 N HN 0.325 nan 8.380 nan 0.000 0.507 41 R N 0.753 121.263 120.500 0.017 0.000 3.301 41 R HA -0.238 4.107 4.340 0.008 0.000 0.249 41 R C 0.603 176.900 176.300 -0.006 0.000 0.964 41 R CA 1.164 57.268 56.100 0.006 0.000 0.653 41 R CB -2.325 27.979 30.300 0.006 0.000 1.043 41 R HN 0.684 nan 8.270 nan 0.000 0.454 42 G N -0.648 108.148 108.800 -0.006 0.000 2.254 42 G HA2 -0.284 3.681 3.960 0.008 0.000 0.225 42 G HA3 -0.284 3.681 3.960 0.008 0.000 0.225 42 G C 0.326 175.220 174.900 -0.011 0.000 1.003 42 G CA 0.135 45.225 45.100 -0.017 0.000 0.622 42 G HN 0.275 nan 8.290 nan 0.000 0.507 43 L N 0.473 121.692 121.223 -0.006 0.000 2.476 43 L HA 0.462 4.807 4.340 0.008 0.000 0.255 43 L C 0.601 177.474 176.870 0.005 0.000 1.218 43 L CA -0.104 54.733 54.840 -0.004 0.000 0.819 43 L CB 0.767 42.818 42.059 -0.013 0.000 1.119 43 L HN 0.407 nan 8.230 nan 0.000 0.485 44 N N -0.845 117.861 118.700 0.010 0.000 2.745 44 N HA 0.286 5.030 4.740 0.008 0.000 0.256 44 N C -1.492 174.031 175.510 0.022 0.000 1.268 44 N CA -0.501 52.563 53.050 0.023 0.000 0.887 44 N CB 2.281 40.793 38.487 0.041 0.000 1.575 44 N HN 0.756 nan 8.380 nan 0.000 0.496 45 C N 0.994 120.308 119.300 0.024 0.000 2.531 45 C HA 0.547 5.011 4.460 0.008 0.000 0.369 45 C C 2.122 177.124 174.990 0.021 0.000 1.258 45 C CA -0.605 58.419 59.018 0.010 0.000 1.876 45 C CB -0.089 27.646 27.740 -0.007 0.000 2.256 45 C HN 0.839 nan 8.230 nan 0.000 0.510 46 I N 1.544 122.112 120.570 -0.003 0.000 2.315 46 I HA -0.141 4.033 4.170 0.008 0.000 0.251 46 I C 2.402 178.589 176.117 0.117 0.000 1.125 46 I CA 1.768 63.079 61.300 0.018 0.000 1.392 46 I CB -0.495 37.508 38.000 0.004 0.000 1.065 46 I HN 0.799 nan 8.210 nan 0.000 0.424 47 K N -0.373 120.048 120.400 0.034 0.000 2.031 47 K HA -0.033 4.291 4.320 0.008 0.000 0.205 47 K C 2.150 178.857 176.600 0.178 0.000 1.049 47 K CA 1.203 57.500 56.287 0.016 0.000 0.939 47 K CB -0.733 31.571 32.500 -0.326 0.000 0.717 47 K HN 0.477 nan 8.250 nan 0.000 0.438 48 G N 0.636 109.511 108.800 0.125 0.000 2.440 48 G HA2 -0.317 3.647 3.960 0.008 0.000 0.218 48 G HA3 -0.317 3.647 3.960 0.008 0.000 0.218 48 G C 1.408 176.354 174.900 0.077 0.000 1.154 48 G CA 0.912 46.069 45.100 0.096 0.000 0.767 48 G HN 0.342 nan 8.290 nan 0.000 0.552 49 Y N 0.409 120.652 120.300 -0.096 0.000 2.207 49 Y HA -0.079 4.475 4.550 0.007 0.000 0.287 49 Y C 1.633 177.329 175.900 -0.338 0.000 1.156 49 Y CA 1.477 59.415 58.100 -0.270 0.000 1.182 49 Y CB -0.123 38.056 38.460 -0.468 0.000 0.979 49 Y HN 0.179 nan 8.280 nan 0.000 0.521 50 F N -1.047 119.066 119.950 0.271 0.000 2.645 50 F HA 0.050 4.582 4.527 0.009 0.000 0.300 50 F C 1.388 177.270 175.800 0.136 0.000 1.115 50 F CA -0.540 57.584 58.000 0.206 0.000 1.355 50 F CB 0.115 39.247 39.000 0.219 0.000 1.026 50 F HN 0.064 nan 8.300 nan 0.000 0.536 51 L N 1.426 122.763 121.223 0.191 0.000 2.043 51 L HA -0.151 4.194 4.340 0.008 0.000 0.212 51 L C -0.506 176.488 176.870 0.207 0.000 1.075 51 L CA 2.012 56.901 54.840 0.082 0.000 0.752 51 L CB -1.943 40.101 42.059 -0.025 0.000 0.891 51 L HN -0.005 nan 8.230 nan 0.000 0.432 52 P HA -0.107 nan 4.420 nan 0.000 0.236 52 P C 1.001 178.511 177.300 0.351 0.000 1.172 52 P CA 1.118 64.379 63.100 0.268 0.000 0.759 52 P CB -0.060 31.741 31.700 0.168 0.000 0.843 53 K N -0.708 119.885 120.400 0.321 0.000 2.360 53 K HA 0.201 4.526 4.320 0.008 0.000 0.196 53 K C 1.698 178.439 176.600 0.235 0.000 1.049 53 K CA 0.211 56.694 56.287 0.326 0.000 1.049 53 K CB 0.178 32.850 32.500 0.287 0.000 0.881 53 K HN 0.258 nan 8.250 nan 0.000 0.542 54 I N -2.263 118.404 120.570 0.163 0.000 2.928 54 I HA -0.012 4.163 4.170 0.008 0.000 0.266 54 I C 1.814 177.999 176.117 0.114 0.000 1.234 54 I CA 0.920 62.306 61.300 0.143 0.000 1.483 54 I CB -0.213 37.850 38.000 0.104 0.000 1.097 54 I HN -0.042 nan 8.210 nan 0.000 0.455 55 M N -0.446 119.061 119.600 -0.156 0.000 2.541 55 M HA 0.110 4.594 4.480 0.008 0.000 0.252 55 M C 0.599 176.664 176.300 -0.392 0.000 1.125 55 M CA 1.056 56.117 55.300 -0.399 0.000 1.091 55 M CB 0.147 32.295 32.600 -0.754 0.000 1.420 55 M HN 0.239 nan 8.290 nan 0.000 0.486 56 Y N -0.400 120.024 120.300 0.207 0.000 2.660 56 Y HA 0.371 4.925 4.550 0.006 0.000 0.254 56 Y C 1.532 177.536 175.900 0.174 0.000 1.176 56 Y CA -1.065 57.128 58.100 0.156 0.000 1.195 56 Y CB -0.098 38.426 38.460 0.108 0.000 1.190 56 Y HN 0.098 nan 8.280 nan 0.000 0.535 57 G N 0.899 109.909 108.800 0.350 0.000 2.593 57 G HA2 -0.109 3.855 3.960 0.008 0.000 0.279 57 G HA3 -0.109 3.855 3.960 0.008 0.000 0.279 57 G C 1.050 176.080 174.900 0.216 0.000 1.329 57 G CA -0.164 45.061 45.100 0.209 0.000 1.036 57 G HN 0.328 nan 8.290 nan 0.000 0.555 58 K N -0.939 119.518 120.400 0.096 0.000 2.137 58 K HA -0.024 4.301 4.320 0.008 0.000 0.202 58 K C 0.223 176.895 176.600 0.120 0.000 1.052 58 K CA 1.523 57.857 56.287 0.078 0.000 0.961 58 K CB 0.127 32.629 32.500 0.004 0.000 0.741 58 K HN 0.531 nan 8.250 nan 0.000 0.452 59 D N 0.042 120.548 120.400 0.178 0.000 2.940 59 D HA 0.087 4.731 4.640 0.008 0.000 0.366 59 D C -0.582 175.858 176.300 0.234 0.000 1.446 59 D CA -0.509 53.584 54.000 0.156 0.000 0.780 59 D CB -0.089 40.771 40.800 0.101 0.000 1.206 59 D HN -0.118 nan 8.370 nan 0.000 0.454 60 R N 0.517 121.181 120.500 0.274 0.000 2.503 60 R HA -0.026 4.318 4.340 0.008 0.000 0.271 60 R C 0.021 176.338 176.300 0.029 0.000 0.960 60 R CA -0.119 56.024 56.100 0.072 0.000 1.104 60 R CB 0.251 30.558 30.300 0.011 0.000 0.879 60 R HN 0.222 nan 8.270 nan 0.000 0.420 61 L N 2.792 123.991 121.223 -0.040 0.000 2.331 61 L HA 0.136 4.481 4.340 0.008 0.000 0.278 61 L C 1.633 178.487 176.870 -0.027 0.000 1.106 61 L CA 0.789 55.611 54.840 -0.030 0.000 0.824 61 L CB 1.062 43.095 42.059 -0.043 0.000 1.142 61 L HN 0.823 nan 8.230 nan 0.000 0.443 62 T N -0.430 114.111 114.554 -0.021 0.000 3.004 62 T HA 0.266 4.620 4.350 0.008 0.000 0.266 62 T C 0.392 175.076 174.700 -0.026 0.000 0.986 62 T CA -0.234 61.861 62.100 -0.008 0.000 0.902 62 T CB 0.477 69.347 68.868 0.002 0.000 1.118 62 T HN 0.425 nan 8.240 nan 0.000 0.522 63 Q N 0.988 120.741 119.800 -0.078 0.000 2.353 63 Q HA 0.479 4.823 4.340 0.008 0.000 0.275 63 Q C -3.271 172.571 176.000 -0.263 0.000 1.029 63 Q CA -1.965 53.745 55.803 -0.156 0.000 0.848 63 Q CB 2.406 31.082 28.738 -0.102 0.000 1.390 63 Q HN -0.066 nan 8.270 nan 0.000 0.401 64 P HA 0.063 nan 4.420 nan 0.000 0.263 64 P C -1.207 175.947 177.300 -0.244 0.000 1.195 64 P CA 0.543 63.343 63.100 -0.499 0.000 0.762 64 P CB 0.268 31.500 31.700 -0.779 0.000 0.799 65 L N 4.276 125.406 121.223 -0.155 0.000 2.319 65 L HA 0.517 4.861 4.340 0.008 0.000 0.281 65 L C -0.126 176.850 176.870 0.176 0.000 1.005 65 L CA -0.808 54.035 54.840 0.004 0.000 0.828 65 L CB 1.305 43.324 42.059 -0.067 0.000 1.227 65 L HN 0.235 nan 8.230 nan 0.000 0.415 66 L N 3.489 124.839 121.223 0.211 0.000 2.334 66 L HA 0.542 4.887 4.340 0.008 0.000 0.276 66 L C -0.061 176.950 176.870 0.234 0.000 1.014 66 L CA -0.243 54.752 54.840 0.257 0.000 0.815 66 L CB 1.623 43.795 42.059 0.189 0.000 1.268 66 L HN 0.467 nan 8.230 nan 0.000 0.428 67 R N 4.878 125.464 120.500 0.143 0.000 2.401 67 R HA 0.518 4.863 4.340 0.008 0.000 0.299 67 R C -0.863 175.440 176.300 0.004 0.000 1.064 67 R CA 0.285 56.321 56.100 -0.106 0.000 1.000 67 R CB 0.544 30.703 30.300 -0.236 0.000 0.973 67 R HN 0.636 nan 8.270 nan 0.000 0.438 68 M N 2.005 121.572 119.600 -0.055 0.000 2.484 68 M HA 0.364 4.849 4.480 0.008 0.000 0.289 68 M C -0.975 175.284 176.300 -0.068 0.000 1.206 68 M CA -0.691 54.586 55.300 -0.038 0.000 0.892 68 M CB 3.016 35.632 32.600 0.026 0.000 1.712 68 M HN 0.285 nan 8.290 nan 0.000 0.462 69 K N 2.479 122.835 120.400 -0.072 0.000 2.426 69 K HA 0.368 4.692 4.320 0.008 0.000 0.254 69 K C -0.946 175.634 176.600 -0.032 0.000 0.936 69 K CA -0.781 55.472 56.287 -0.056 0.000 0.801 69 K CB 1.363 33.819 32.500 -0.074 0.000 1.139 69 K HN 0.833 nan 8.250 nan 0.000 0.424 70 N N 1.683 120.371 118.700 -0.019 0.000 2.696 70 N HA -0.237 4.508 4.740 0.008 0.000 0.306 70 N C 0.384 175.895 175.510 0.001 0.000 1.240 70 N CA 1.099 54.145 53.050 -0.007 0.000 0.704 70 N CB -0.775 37.707 38.487 -0.008 0.000 1.027 70 N HN 1.020 nan 8.380 nan 0.000 0.544 71 G N 1.201 110.007 108.800 0.010 0.000 2.441 71 G HA2 -0.311 3.654 3.960 0.008 0.000 0.298 71 G HA3 -0.311 3.654 3.960 0.008 0.000 0.298 71 G C 0.009 174.925 174.900 0.027 0.000 0.949 71 G CA 1.230 46.342 45.100 0.020 0.000 1.072 71 G HN 1.200 nan 8.290 nan 0.000 0.512 72 K N -1.659 118.761 120.400 0.033 0.000 2.610 72 K HA 0.418 4.743 4.320 0.008 0.000 0.267 72 K C -0.417 176.226 176.600 0.073 0.000 0.943 72 K CA -1.398 54.923 56.287 0.056 0.000 0.862 72 K CB 0.957 33.475 32.500 0.031 0.000 1.376 72 K HN 0.357 nan 8.250 nan 0.000 0.412 73 Y N 2.495 122.807 120.300 0.021 0.000 2.702 73 Y HA 0.127 4.681 4.550 0.007 0.000 0.336 73 Y C -0.606 175.313 175.900 0.031 0.000 1.235 73 Y CA 0.854 58.979 58.100 0.042 0.000 1.492 73 Y CB 0.693 39.194 38.460 0.068 0.000 1.308 73 Y HN 0.747 nan 8.280 nan 0.000 0.589 74 D N 5.701 125.478 120.400 -1.038 0.000 2.966 74 D HA 0.081 4.725 4.640 0.008 0.000 0.222 74 D C 0.076 175.870 176.300 -0.843 0.000 1.292 74 D CA -0.542 52.924 54.000 -0.890 0.000 0.907 74 D CB 1.750 42.330 40.800 -0.367 0.000 1.621 74 D HN 0.654 nan 8.370 nan 0.000 0.557 75 K N 1.622 121.637 120.400 -0.641 0.000 2.211 75 K HA -0.148 4.177 4.320 0.008 0.000 0.204 75 K C 0.775 177.288 176.600 -0.144 0.000 1.047 75 K CA 1.252 57.419 56.287 -0.201 0.000 0.935 75 K CB 0.311 32.801 32.500 -0.017 0.000 0.728 75 K HN 0.430 nan 8.250 nan 0.000 0.452 76 E N -0.869 119.227 120.200 -0.174 0.000 2.501 76 E HA 0.117 4.472 4.350 0.008 0.000 0.201 76 E C 0.450 176.956 176.600 -0.156 0.000 1.016 76 E CA -0.222 56.101 56.400 -0.129 0.000 0.920 76 E CB 0.739 30.386 29.700 -0.089 0.000 1.023 76 E HN 0.285 nan 8.360 nan 0.000 0.474 77 G N 0.205 108.881 108.800 -0.208 0.000 2.590 77 G HA2 0.041 4.006 3.960 0.008 0.000 0.276 77 G HA3 0.041 4.006 3.960 0.008 0.000 0.276 77 G C -0.004 174.768 174.900 -0.213 0.000 1.337 77 G CA -0.422 44.566 45.100 -0.187 0.000 1.030 77 G HN -0.009 nan 8.290 nan 0.000 0.534 78 E N -0.736 119.370 120.200 -0.157 0.000 2.179 78 E HA 0.275 4.630 4.350 0.008 0.000 0.275 78 E C -0.613 175.915 176.600 -0.121 0.000 0.945 78 E CA -0.499 55.819 56.400 -0.136 0.000 0.792 78 E CB 1.571 31.247 29.700 -0.039 0.000 1.125 78 E HN 0.279 nan 8.360 nan 0.000 0.397 79 F N 1.492 121.459 119.950 0.028 0.000 2.602 79 F HA 0.009 4.539 4.527 0.005 0.000 0.385 79 F C 1.401 177.211 175.800 0.017 0.000 1.063 79 F CA 0.845 58.861 58.000 0.027 0.000 1.233 79 F CB 0.550 39.564 39.000 0.025 0.000 1.067 79 F HN 0.110 nan 8.300 nan 0.000 0.564 80 T N 4.904 119.587 114.554 0.216 0.000 2.993 80 T HA 0.452 4.807 4.350 0.008 0.000 0.312 80 T C -3.057 171.692 174.700 0.082 0.000 1.115 80 T CA -2.429 59.738 62.100 0.113 0.000 1.027 80 T CB 1.877 70.785 68.868 0.068 0.000 1.116 80 T HN 0.093 nan 8.240 nan 0.000 0.464 81 P HA 0.480 nan 4.420 nan 0.000 0.271 81 P C -0.529 176.760 177.300 -0.018 0.000 1.216 81 P CA -0.362 62.733 63.100 -0.008 0.000 0.776 81 P CB 0.302 31.994 31.700 -0.013 0.000 0.881 82 I N -1.637 118.895 120.570 -0.064 0.000 3.279 82 I HA 0.678 4.852 4.170 0.008 0.000 0.315 82 I C -0.381 175.666 176.117 -0.118 0.000 1.187 82 I CA -1.109 60.154 61.300 -0.061 0.000 0.953 82 I CB 2.319 40.294 38.000 -0.042 0.000 1.279 82 I HN 0.268 nan 8.210 nan 0.000 0.465 83 T N -1.675 112.836 114.554 -0.073 0.000 2.874 83 T HA 0.296 4.651 4.350 0.008 0.000 0.281 83 T C 0.404 175.042 174.700 -0.103 0.000 0.994 83 T CA -0.155 61.907 62.100 -0.063 0.000 1.015 83 T CB 1.036 69.927 68.868 0.040 0.000 1.028 83 T HN 0.798 nan 8.240 nan 0.000 0.523 84 W N 0.577 121.845 121.300 -0.054 0.000 2.318 84 W HA -0.097 4.568 4.660 0.009 0.000 0.313 84 W C 2.156 178.603 176.519 -0.120 0.000 1.221 84 W CA 1.223 58.478 57.345 -0.150 0.000 1.266 84 W CB -0.287 29.175 29.460 0.003 0.000 1.150 84 W HN 0.756 nan 8.180 nan 0.000 0.496 85 D N -0.417 120.153 120.400 0.284 0.000 2.133 85 D HA -0.231 4.414 4.640 0.008 0.000 0.195 85 D C 1.940 178.346 176.300 0.177 0.000 0.997 85 D CA 1.692 55.843 54.000 0.251 0.000 0.840 85 D CB -0.641 40.265 40.800 0.176 0.000 0.947 85 D HN 0.388 nan 8.370 nan 0.000 0.452 86 Q N -0.102 119.754 119.800 0.092 0.000 2.137 86 Q HA 0.059 4.403 4.340 0.008 0.000 0.198 86 Q C 2.235 178.260 176.000 0.042 0.000 0.960 86 Q CA 1.004 56.841 55.803 0.058 0.000 0.847 86 Q CB -0.014 28.739 28.738 0.025 0.000 0.915 86 Q HN 0.209 nan 8.270 nan 0.000 0.448 87 A N 0.542 123.339 122.820 -0.038 0.000 1.902 87 A HA -0.156 4.169 4.320 0.008 0.000 0.217 87 A C 1.792 179.423 177.584 0.079 0.000 1.181 87 A CA 1.119 53.103 52.037 -0.088 0.000 0.623 87 A CB -0.856 17.939 19.000 -0.342 0.000 0.818 87 A HN 0.371 nan 8.150 nan 0.000 0.443 88 F N 0.037 120.094 119.950 0.179 0.000 2.293 88 F HA -0.159 4.374 4.527 0.009 0.000 0.300 88 F C 2.077 177.984 175.800 0.179 0.000 1.086 88 F CA 0.488 58.636 58.000 0.247 0.000 1.375 88 F CB -0.059 39.112 39.000 0.286 0.000 1.045 88 F HN 0.218 nan 8.300 nan 0.000 0.516 89 D N 0.289 120.849 120.400 0.267 0.000 2.084 89 D HA -0.156 4.488 4.640 0.008 0.000 0.194 89 D C 2.445 178.789 176.300 0.074 0.000 0.990 89 D CA 1.293 55.365 54.000 0.120 0.000 0.826 89 D CB -0.697 40.145 40.800 0.071 0.000 0.971 89 D HN 0.056 nan 8.370 nan 0.000 0.453 90 V N 1.060 121.004 119.914 0.049 0.000 2.295 90 V HA -0.251 3.874 4.120 0.008 0.000 0.246 90 V C 2.580 178.622 176.094 -0.087 0.000 1.049 90 V CA 1.451 63.707 62.300 -0.073 0.000 1.024 90 V CB -0.456 31.309 31.823 -0.096 0.000 0.648 90 V HN 0.181 nan 8.190 nan 0.000 0.447 91 M N -0.486 119.182 119.600 0.113 0.000 2.149 91 M HA -0.239 4.246 4.480 0.008 0.000 0.261 91 M C 2.249 178.854 176.300 0.507 0.000 1.064 91 M CA 2.022 57.491 55.300 0.282 0.000 1.102 91 M CB -0.478 32.176 32.600 0.091 0.000 1.369 91 M HN 0.421 nan 8.290 nan 0.000 0.408 92 E N 0.401 120.825 120.200 0.373 0.000 2.051 92 E HA -0.245 4.109 4.350 0.008 0.000 0.192 92 E C 2.053 178.687 176.600 0.057 0.000 0.991 92 E CA 1.194 57.645 56.400 0.086 0.000 0.799 92 E CB -0.019 29.570 29.700 -0.185 0.000 0.748 92 E HN 0.376 nan 8.360 nan 0.000 0.449 93 E N 0.883 121.090 120.200 0.010 0.000 2.047 93 E HA -0.210 4.145 4.350 0.008 0.000 0.191 93 E C 1.928 178.526 176.600 -0.003 0.000 0.987 93 E CA 1.058 57.442 56.400 -0.026 0.000 0.799 93 E CB 0.043 29.703 29.700 -0.067 0.000 0.752 93 E HN 0.109 nan 8.360 nan 0.000 0.449 94 K N -0.125 120.249 120.400 -0.044 0.000 2.026 94 K HA -0.131 4.194 4.320 0.008 0.000 0.208 94 K C 2.313 178.951 176.600 0.063 0.000 1.048 94 K CA 1.104 57.326 56.287 -0.108 0.000 0.929 94 K CB -0.620 31.635 32.500 -0.408 0.000 0.713 94 K HN 0.210 nan 8.250 nan 0.000 0.439 95 F N 1.643 121.633 119.950 0.067 0.000 2.113 95 F HA -0.155 4.376 4.527 0.007 0.000 0.297 95 F C 2.521 178.342 175.800 0.035 0.000 1.103 95 F CA 1.292 59.333 58.000 0.068 0.000 1.248 95 F CB -0.042 39.065 39.000 0.178 0.000 0.999 95 F HN -0.008 nan 8.300 nan 0.000 0.475 96 K N -0.399 120.167 120.400 0.276 0.000 2.057 96 K HA -0.144 4.181 4.320 0.008 0.000 0.207 96 K C 1.971 178.613 176.600 0.070 0.000 1.049 96 K CA 1.896 58.278 56.287 0.158 0.000 0.931 96 K CB -0.522 32.026 32.500 0.079 0.000 0.714 96 K HN 0.167 nan 8.250 nan 0.000 0.440 97 T N 1.058 115.635 114.554 0.039 0.000 2.652 97 T HA -0.202 4.152 4.350 0.008 0.000 0.267 97 T C 1.960 176.664 174.700 0.006 0.000 1.039 97 T CA 1.542 63.648 62.100 0.010 0.000 1.153 97 T CB -0.347 68.513 68.868 -0.012 0.000 0.863 97 T HN 0.354 nan 8.240 nan 0.000 0.428 98 A N 1.264 124.079 122.820 -0.008 0.000 1.892 98 A HA -0.070 4.255 4.320 0.008 0.000 0.218 98 A C 2.307 179.886 177.584 -0.009 0.000 1.188 98 A CA 1.516 53.537 52.037 -0.026 0.000 0.631 98 A CB -0.969 17.980 19.000 -0.084 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.447 99 L N -0.564 120.660 121.223 0.003 0.000 2.131 99 L HA -0.195 4.150 4.340 0.008 0.000 0.210 99 L C 2.562 179.452 176.870 0.034 0.000 1.092 99 L CA 1.900 56.752 54.840 0.021 0.000 0.759 99 L CB -0.413 41.667 42.059 0.035 0.000 0.903 99 L HN 0.554 nan 8.230 nan 0.000 0.435 100 K N 0.565 120.985 120.400 0.032 0.000 2.025 100 K HA -0.174 4.151 4.320 0.008 0.000 0.207 100 K C 1.889 178.503 176.600 0.024 0.000 1.049 100 K CA 1.551 57.855 56.287 0.030 0.000 0.933 100 K CB 0.023 32.537 32.500 0.024 0.000 0.714 100 K HN 0.317 nan 8.250 nan 0.000 0.438 101 E N -0.271 119.940 120.200 0.018 0.000 2.122 101 E HA -0.047 4.308 4.350 0.008 0.000 0.190 101 E C 1.359 177.969 176.600 0.017 0.000 0.977 101 E CA 0.900 57.309 56.400 0.015 0.000 0.820 101 E CB 0.379 30.085 29.700 0.010 0.000 0.770 101 E HN 0.305 nan 8.360 nan 0.000 0.462 102 K N -0.894 119.516 120.400 0.017 0.000 2.538 102 K HA 0.236 4.560 4.320 0.008 0.000 0.215 102 K C 0.517 177.134 176.600 0.028 0.000 1.345 102 K CA 0.394 56.693 56.287 0.021 0.000 0.985 102 K CB 2.161 34.671 32.500 0.016 0.000 1.116 102 K HN 0.145 nan 8.250 nan 0.000 0.582 103 G N 2.038 110.855 108.800 0.028 0.000 2.728 103 G HA2 -0.196 3.769 3.960 0.008 0.000 0.294 103 G HA3 -0.196 3.769 3.960 0.008 0.000 0.294 103 G C -2.451 172.475 174.900 0.043 0.000 1.342 103 G CA -0.576 44.549 45.100 0.041 0.000 0.866 103 G HN -0.166 nan 8.290 nan 0.000 0.534 104 P HA -0.046 nan 4.420 nan 0.000 0.216 104 P C 1.522 178.886 177.300 0.107 0.000 1.150 104 P CA 1.927 65.083 63.100 0.093 0.000 0.843 104 P CB -0.069 31.713 31.700 0.137 0.000 0.787 105 E N -0.515 119.740 120.200 0.093 0.000 2.273 105 E HA -0.146 4.209 4.350 0.008 0.000 0.198 105 E C 1.656 178.300 176.600 0.074 0.000 1.002 105 E CA 1.507 57.962 56.400 0.090 0.000 0.828 105 E CB -0.361 29.381 29.700 0.069 0.000 0.747 105 E HN 0.388 nan 8.360 nan 0.000 0.491 106 S N 0.082 115.811 115.700 0.049 0.000 2.540 106 S HA 0.105 4.579 4.470 0.008 0.000 0.218 106 S C 0.787 175.389 174.600 0.004 0.000 0.977 106 S CA -0.598 57.616 58.200 0.022 0.000 0.918 106 S CB -0.333 62.871 63.200 0.006 0.000 0.806 106 S HN 0.282 nan 8.310 nan 0.000 0.496 107 I N -2.192 118.390 120.570 0.019 0.000 2.750 107 I HA 0.959 5.134 4.170 0.008 0.000 0.308 107 I C -0.003 176.271 176.117 0.262 0.000 1.016 107 I CA -1.061 60.243 61.300 0.006 0.000 1.098 107 I CB 1.797 39.663 38.000 -0.223 0.000 1.279 107 I HN 0.116 nan 8.210 nan 0.000 0.454 108 G N 3.676 112.715 108.800 0.398 0.000 2.576 108 G HA2 0.549 4.514 3.960 0.008 0.000 0.290 108 G HA3 0.549 4.514 3.960 0.008 0.000 0.290 108 G C -1.917 173.177 174.900 0.323 0.000 1.442 108 G CA -0.909 44.476 45.100 0.474 0.000 0.792 108 G HN 0.824 nan 8.290 nan 0.000 0.491 109 M N 0.270 119.807 119.600 -0.104 0.000 2.530 109 M HA 0.826 5.310 4.480 0.008 0.000 0.307 109 M C -1.984 174.264 176.300 -0.087 0.000 1.161 109 M CA -0.960 54.177 55.300 -0.272 0.000 0.903 109 M CB 2.324 34.435 32.600 -0.816 0.000 1.711 109 M HN 0.393 nan 8.290 nan 0.000 0.451 110 F N 3.693 123.444 119.950 -0.332 0.000 2.443 110 F HA 0.688 5.219 4.527 0.007 0.000 0.369 110 F C 0.105 175.706 175.800 -0.331 0.000 1.090 110 F CA -0.508 57.346 58.000 -0.244 0.000 1.129 110 F CB 0.604 39.503 39.000 -0.168 0.000 1.367 110 F HN 0.628 nan 8.300 nan 0.000 0.465 111 G N 1.647 109.963 108.800 -0.806 0.000 2.509 111 G HA2 0.487 4.451 3.960 0.008 0.000 0.269 111 G HA3 0.487 4.451 3.960 0.008 0.000 0.269 111 G C -1.058 173.025 174.900 -1.361 0.000 1.416 111 G CA -0.418 43.913 45.100 -1.281 0.000 1.052 111 G HN 0.632 nan 8.290 nan 0.000 0.542 112 S N -2.667 112.158 115.700 -1.459 0.000 2.535 112 S HA 0.495 4.970 4.470 0.008 0.000 0.272 112 S C 0.727 175.040 174.600 -0.477 0.000 1.149 112 S CA 0.323 57.984 58.200 -0.899 0.000 0.888 112 S CB 1.296 63.951 63.200 -0.908 0.000 1.110 112 S HN 1.198 nan 8.310 nan 0.000 0.463 113 G N 1.596 110.258 108.800 -0.230 0.000 2.848 113 G HA2 0.074 4.039 3.960 0.008 0.000 0.208 113 G HA3 0.074 4.039 3.960 0.008 0.000 0.208 113 G C 0.632 175.528 174.900 -0.006 0.000 1.152 113 G CA 0.155 45.228 45.100 -0.046 0.000 0.789 113 G HN 0.719 nan 8.290 nan 0.000 0.531 114 Q N -0.939 118.861 119.800 -0.001 0.000 2.247 114 Q HA 0.130 4.474 4.340 0.008 0.000 0.204 114 Q C 0.092 176.315 176.000 0.373 0.000 0.872 114 Q CA -0.680 55.181 55.803 0.096 0.000 0.951 114 Q CB 0.540 29.374 28.738 0.160 0.000 1.099 114 Q HN 0.360 nan 8.270 nan 0.000 0.501 115 W N 1.075 122.481 121.300 0.177 0.000 2.161 115 W HA 0.187 4.851 4.660 0.007 0.000 0.344 115 W C 0.699 177.365 176.519 0.245 0.000 1.262 115 W CA -0.737 56.709 57.345 0.167 0.000 1.270 115 W CB 0.606 30.077 29.460 0.018 0.000 1.126 115 W HN -0.208 nan 8.180 nan 0.000 0.598 116 T N 3.455 118.193 114.554 0.305 0.000 2.919 116 T HA 0.096 4.450 4.350 0.008 0.000 0.302 116 T C 1.953 176.462 174.700 -0.318 0.000 1.031 116 T CA -0.337 61.642 62.100 -0.203 0.000 1.127 116 T CB 0.489 69.083 68.868 -0.457 0.000 0.952 116 T HN 0.202 nan 8.240 nan 0.000 0.540 117 I N 1.415 121.682 120.570 -0.506 0.000 2.113 117 I HA -0.292 3.883 4.170 0.008 0.000 0.242 117 I C 2.163 178.127 176.117 -0.256 0.000 1.064 117 I CA 2.000 63.100 61.300 -0.333 0.000 1.320 117 I CB -0.397 37.447 38.000 -0.261 0.000 1.028 117 I HN 0.859 nan 8.210 nan 0.000 0.406 118 W N 1.183 122.456 121.300 -0.045 0.000 2.363 118 W HA -0.088 4.576 4.660 0.007 0.000 0.296 118 W C 2.137 178.589 176.519 -0.113 0.000 1.212 118 W CA 0.589 57.920 57.345 -0.023 0.000 1.260 118 W CB -1.154 28.306 29.460 -0.001 0.000 1.131 118 W HN 0.041 nan 8.180 nan 0.000 0.530 119 E N 0.831 120.966 120.200 -0.109 0.000 2.049 119 E HA -0.171 4.183 4.350 0.008 0.000 0.198 119 E C 2.672 178.864 176.600 -0.681 0.000 1.007 119 E CA 1.758 57.894 56.400 -0.440 0.000 0.809 119 E CB -0.817 28.514 29.700 -0.616 0.000 0.749 119 E HN 0.426 nan 8.360 nan 0.000 0.450 120 G N 0.036 108.587 108.800 -0.416 0.000 2.440 120 G HA2 -0.317 3.648 3.960 0.008 0.000 0.218 120 G HA3 -0.317 3.648 3.960 0.008 0.000 0.218 120 G C 1.400 176.219 174.900 -0.135 0.000 1.154 120 G CA 0.971 45.952 45.100 -0.198 0.000 0.767 120 G HN 0.329 nan 8.290 nan 0.000 0.552 121 Y N 1.698 121.864 120.300 -0.224 0.000 2.181 121 Y HA -0.036 4.518 4.550 0.007 0.000 0.288 121 Y C 2.955 178.798 175.900 -0.096 0.000 1.146 121 Y CA 1.548 59.552 58.100 -0.160 0.000 1.164 121 Y CB -0.028 38.340 38.460 -0.152 0.000 0.982 121 Y HN 0.263 nan 8.280 nan 0.000 0.515 122 A N 0.138 122.908 122.820 -0.084 0.000 1.929 122 A HA -0.056 4.269 4.320 0.008 0.000 0.216 122 A C 2.336 179.838 177.584 -0.136 0.000 1.176 122 A CA 1.358 53.353 52.037 -0.070 0.000 0.628 122 A CB -1.326 17.606 19.000 -0.113 0.000 0.816 122 A HN 0.576 nan 8.150 nan 0.000 0.444 123 A N -0.608 122.049 122.820 -0.272 0.000 1.883 123 A HA -0.151 4.173 4.320 0.008 0.000 0.217 123 A C 2.503 180.062 177.584 -0.043 0.000 1.186 123 A CA 2.278 54.190 52.037 -0.209 0.000 0.624 123 A CB -1.006 17.730 19.000 -0.440 0.000 0.822 123 A HN 0.555 nan 8.150 nan 0.000 0.444 124 S N -0.687 114.945 115.700 -0.114 0.000 2.368 124 S HA -0.150 4.325 4.470 0.008 0.000 0.224 124 S C 2.023 176.528 174.600 -0.158 0.000 1.029 124 S CA 1.674 59.840 58.200 -0.057 0.000 0.988 124 S CB -0.299 62.874 63.200 -0.044 0.000 0.838 124 S HN 0.594 nan 8.310 nan 0.000 0.462 125 K N 0.738 120.885 120.400 -0.422 0.000 2.097 125 K HA 0.024 4.349 4.320 0.008 0.000 0.205 125 K C 2.124 178.466 176.600 -0.430 0.000 1.050 125 K CA 0.965 56.827 56.287 -0.708 0.000 0.938 125 K CB -0.355 31.503 32.500 -1.070 0.000 0.718 125 K HN 0.353 nan 8.250 nan 0.000 0.442 126 L N 0.162 121.236 121.223 -0.249 0.000 1.989 126 L HA -0.208 4.137 4.340 0.008 0.000 0.211 126 L C 2.127 178.741 176.870 -0.427 0.000 1.071 126 L CA 1.816 56.448 54.840 -0.346 0.000 0.749 126 L CB -0.246 41.740 42.059 -0.123 0.000 0.890 126 L HN 0.140 nan 8.230 nan 0.000 0.431 127 F N 0.082 119.933 119.950 -0.165 0.000 2.149 127 F HA -0.152 4.379 4.527 0.007 0.000 0.294 127 F C 2.592 178.451 175.800 0.099 0.000 1.095 127 F CA 1.284 59.339 58.000 0.091 0.000 1.276 127 F CB -0.002 39.130 39.000 0.221 0.000 1.023 127 F HN -0.038 nan 8.300 nan 0.000 0.480 128 K N -0.390 120.132 120.400 0.203 0.000 2.137 128 K HA 0.067 4.391 4.320 0.008 0.000 0.202 128 K C 2.031 178.715 176.600 0.141 0.000 1.052 128 K CA 1.066 57.468 56.287 0.191 0.000 0.961 128 K CB -0.198 32.430 32.500 0.214 0.000 0.741 128 K HN 0.173 nan 8.250 nan 0.000 0.452 129 A N 0.586 123.419 122.820 0.022 0.000 2.014 129 A HA 0.163 4.488 4.320 0.008 0.000 0.210 129 A C 2.140 179.828 177.584 0.174 0.000 1.188 129 A CA 0.996 53.069 52.037 0.059 0.000 0.731 129 A CB -0.338 18.588 19.000 -0.123 0.000 0.858 129 A HN 0.338 nan 8.150 nan 0.000 0.464 130 G N -1.174 107.595 108.800 -0.052 0.000 2.508 130 G HA2 0.048 4.012 3.960 0.008 0.000 0.212 130 G HA3 0.048 4.012 3.960 0.008 0.000 0.212 130 G C 1.227 176.155 174.900 0.047 0.000 1.206 130 G CA 0.647 45.654 45.100 -0.155 0.000 0.822 130 G HN 0.425 nan 8.290 nan 0.000 0.550 131 F N 0.422 120.333 119.950 -0.065 0.000 2.776 131 F HA 0.264 4.795 4.527 0.007 0.000 0.300 131 F C 0.995 176.833 175.800 0.063 0.000 1.116 131 F CA -0.378 57.567 58.000 -0.092 0.000 1.375 131 F CB 0.323 39.150 39.000 -0.288 0.000 1.109 131 F HN -0.043 nan 8.300 nan 0.000 0.585 132 R N 0.814 121.493 120.500 0.299 0.000 3.336 132 R HA -0.185 4.159 4.340 0.008 0.000 0.260 132 R C -0.312 176.127 176.300 0.232 0.000 1.032 132 R CA 0.528 56.765 56.100 0.229 0.000 0.693 132 R CB -2.289 28.130 30.300 0.199 0.000 1.134 132 R HN 0.185 nan 8.270 nan 0.000 0.433 133 S N -0.533 115.348 115.700 0.301 0.000 2.526 133 S HA 0.472 4.947 4.470 0.008 0.000 0.293 133 S C 0.413 175.232 174.600 0.365 0.000 1.092 133 S CA -0.935 57.461 58.200 0.328 0.000 0.980 133 S CB 1.386 64.827 63.200 0.402 0.000 1.048 133 S HN 0.271 nan 8.310 nan 0.000 0.483 134 N N 2.990 121.860 118.700 0.282 0.000 2.236 134 N HA 0.130 4.875 4.740 0.008 0.000 0.196 134 N C -0.304 175.351 175.510 0.241 0.000 1.114 134 N CA 0.053 53.254 53.050 0.250 0.000 0.859 134 N CB -0.153 38.456 38.487 0.203 0.000 0.982 134 N HN 0.672 nan 8.380 nan 0.000 0.493 135 N N 1.006 119.869 118.700 0.271 0.000 3.085 135 N HA 0.029 4.773 4.740 0.008 0.000 0.313 135 N C -0.468 175.129 175.510 0.145 0.000 1.277 135 N CA 0.133 53.321 53.050 0.230 0.000 1.150 135 N CB 0.160 38.797 38.487 0.250 0.000 1.437 135 N HN 0.265 nan 8.380 nan 0.000 0.558 136 I N 0.297 120.922 120.570 0.092 0.000 2.410 136 I HA 0.290 4.465 4.170 0.008 0.000 0.286 136 I C -1.334 174.786 176.117 0.006 0.000 1.009 136 I CA -0.575 60.694 61.300 -0.052 0.000 1.111 136 I CB 1.135 39.057 38.000 -0.130 0.000 1.262 136 I HN -0.005 nan 8.210 nan 0.000 0.443 137 D N 8.924 129.308 120.400 -0.027 0.000 2.753 137 D HA 0.594 5.239 4.640 0.008 0.000 0.224 137 D C -2.891 173.158 176.300 -0.418 0.000 1.213 137 D CA -1.155 52.793 54.000 -0.086 0.000 0.833 137 D CB 3.283 44.196 40.800 0.189 0.000 1.607 137 D HN 0.145 nan 8.370 nan 0.000 0.463 138 P HA 0.276 nan 4.420 nan 0.000 0.290 138 P C 0.069 176.822 177.300 -0.912 0.000 1.302 138 P CA -0.479 62.033 63.100 -0.981 0.000 0.893 138 P CB 1.037 32.230 31.700 -0.846 0.000 1.272 139 N N 0.232 118.387 118.700 -0.909 0.000 2.348 139 N HA -0.171 4.574 4.740 0.008 0.000 0.185 139 N C 1.511 176.914 175.510 -0.177 0.000 1.019 139 N CA 1.764 54.601 53.050 -0.355 0.000 0.880 139 N CB -1.721 36.677 38.487 -0.149 0.000 0.965 139 N HN 0.387 nan 8.380 nan 0.000 0.437 140 A N 0.701 123.412 122.820 -0.181 0.000 2.131 140 A HA -0.133 4.192 4.320 0.008 0.000 0.220 140 A C 2.273 179.977 177.584 0.200 0.000 1.158 140 A CA 1.398 53.464 52.037 0.048 0.000 0.665 140 A CB -0.786 18.276 19.000 0.104 0.000 0.795 140 A HN 0.432 nan 8.150 nan 0.000 0.460 141 R N -0.715 119.849 120.500 0.106 0.000 2.189 141 R HA -0.082 4.262 4.340 0.008 0.000 0.218 141 R C 1.242 177.672 176.300 0.217 0.000 1.074 141 R CA 1.430 57.674 56.100 0.240 0.000 0.991 141 R CB -0.497 29.919 30.300 0.194 0.000 0.883 141 R HN 0.750 nan 8.270 nan 0.000 0.457 142 H N -2.123 117.103 119.070 0.261 0.000 2.543 142 H HA 0.078 4.638 4.556 0.007 0.000 0.269 142 H C 1.144 176.629 175.328 0.262 0.000 1.005 142 H CA 0.238 56.471 56.048 0.309 0.000 1.146 142 H CB 0.349 30.278 29.762 0.279 0.000 1.353 142 H HN 0.260 nan 8.280 nan 0.000 0.595 143 C N -0.912 118.572 119.300 0.306 0.000 3.095 143 C HA 0.119 4.584 4.460 0.008 0.000 0.350 143 C C 1.302 176.450 174.990 0.263 0.000 2.039 143 C CA -0.104 59.063 59.018 0.249 0.000 1.926 143 C CB 0.003 27.855 27.740 0.187 0.000 1.978 143 C HN 0.339 nan 8.230 nan 0.000 0.639 144 M N 1.555 121.317 119.600 0.271 0.000 2.414 144 M HA 0.313 4.798 4.480 0.008 0.000 0.251 144 M C 1.981 178.429 176.300 0.248 0.000 1.116 144 M CA 0.982 56.449 55.300 0.278 0.000 1.056 144 M CB -1.390 31.379 32.600 0.282 0.000 1.388 144 M HN 0.518 nan 8.290 nan 0.000 0.487 145 A N 0.762 123.715 122.820 0.222 0.000 1.892 145 A HA -0.177 4.148 4.320 0.008 0.000 0.218 145 A C 2.420 180.063 177.584 0.098 0.000 1.188 145 A CA 2.514 54.622 52.037 0.119 0.000 0.631 145 A CB -0.881 18.195 19.000 0.127 0.000 0.822 145 A HN 0.479 nan 8.150 nan 0.000 0.447 146 S N -0.178 115.591 115.700 0.116 0.000 2.400 146 S HA -0.038 4.437 4.470 0.008 0.000 0.232 146 S C 2.164 176.845 174.600 0.136 0.000 1.025 146 S CA 1.240 59.485 58.200 0.076 0.000 0.993 146 S CB -0.412 62.824 63.200 0.059 0.000 0.808 146 S HN 0.834 nan 8.310 nan 0.000 0.478 147 A N 0.969 123.941 122.820 0.253 0.000 1.930 147 A HA 0.104 4.429 4.320 0.008 0.000 0.215 147 A C 2.302 180.167 177.584 0.468 0.000 1.176 147 A CA 0.849 53.107 52.037 0.369 0.000 0.632 147 A CB -0.663 18.629 19.000 0.488 0.000 0.819 147 A HN 0.321 nan 8.150 nan 0.000 0.445 148 V N -0.182 119.964 119.914 0.386 0.000 2.237 148 V HA -0.243 3.882 4.120 0.008 0.000 0.245 148 V C 2.567 178.820 176.094 0.264 0.000 1.046 148 V CA 2.144 64.650 62.300 0.343 0.000 1.007 148 V CB -0.929 30.958 31.823 0.107 0.000 0.638 148 V HN 0.345 nan 8.190 nan 0.000 0.445 149 V N 0.979 120.968 119.914 0.127 0.000 2.392 149 V HA -0.228 3.896 4.120 0.008 0.000 0.249 149 V C 2.600 178.721 176.094 0.045 0.000 1.059 149 V CA 2.201 64.531 62.300 0.050 0.000 1.051 149 V CB -1.484 30.320 31.823 -0.031 0.000 0.658 149 V HN 0.641 nan 8.190 nan 0.000 0.455 150 G N -1.048 107.794 108.800 0.071 0.000 2.418 150 G HA2 -0.238 3.727 3.960 0.008 0.000 0.217 150 G HA3 -0.238 3.727 3.960 0.008 0.000 0.217 150 G C 1.534 176.495 174.900 0.102 0.000 1.158 150 G CA 0.731 45.847 45.100 0.027 0.000 0.771 150 G HN 0.468 nan 8.290 nan 0.000 0.545 151 F N 0.311 120.407 119.950 0.243 0.000 2.134 151 F HA -0.080 4.451 4.527 0.007 0.000 0.299 151 F C 2.953 178.868 175.800 0.191 0.000 1.097 151 F CA 1.048 59.221 58.000 0.288 0.000 1.264 151 F CB -0.018 39.136 39.000 0.256 0.000 1.001 151 F HN 0.010 nan 8.300 nan 0.000 0.479 152 M N -0.227 119.553 119.600 0.300 0.000 2.132 152 M HA -0.150 4.335 4.480 0.008 0.000 0.263 152 M C 2.140 178.493 176.300 0.088 0.000 1.065 152 M CA 1.625 57.033 55.300 0.181 0.000 1.122 152 M CB -1.308 31.374 32.600 0.136 0.000 1.365 152 M HN 0.070 nan 8.290 nan 0.000 0.411 153 R N -0.586 119.915 120.500 0.001 0.000 2.073 153 R HA -0.098 4.247 4.340 0.008 0.000 0.234 153 R C 2.221 178.542 176.300 0.035 0.000 1.134 153 R CA 1.997 58.062 56.100 -0.059 0.000 0.952 153 R CB -0.645 29.392 30.300 -0.438 0.000 0.850 153 R HN 0.382 nan 8.270 nan 0.000 0.433 154 T N -0.661 113.805 114.554 -0.147 0.000 2.937 154 T HA 0.039 4.394 4.350 0.008 0.000 0.260 154 T C 1.076 175.341 174.700 -0.726 0.000 1.051 154 T CA 1.057 62.868 62.100 -0.482 0.000 1.141 154 T CB 0.058 68.312 68.868 -1.023 0.000 0.879 154 T HN 0.140 nan 8.240 nan 0.000 0.459 155 F N -0.493 119.400 119.950 -0.095 0.000 2.834 155 F HA 0.420 4.952 4.527 0.008 0.000 0.332 155 F C 1.947 177.705 175.800 -0.071 0.000 1.056 155 F CA -0.082 57.835 58.000 -0.139 0.000 1.178 155 F CB 0.361 39.318 39.000 -0.071 0.000 1.037 155 F HN 0.232 nan 8.300 nan 0.000 0.580 156 G N 1.138 110.036 108.800 0.162 0.000 2.189 156 G HA2 -0.309 3.655 3.960 0.008 0.000 0.267 156 G HA3 -0.309 3.655 3.960 0.008 0.000 0.267 156 G C 0.223 175.224 174.900 0.169 0.000 0.975 156 G CA 0.563 45.744 45.100 0.135 0.000 0.644 156 G HN 0.259 nan 8.290 nan 0.000 0.537 157 M N 0.026 119.760 119.600 0.223 0.000 2.518 157 M HA 0.382 4.867 4.480 0.008 0.000 0.300 157 M C -0.746 175.699 176.300 0.242 0.000 1.175 157 M CA -0.907 54.536 55.300 0.239 0.000 0.890 157 M CB 1.856 34.572 32.600 0.192 0.000 1.710 157 M HN 0.050 nan 8.290 nan 0.000 0.453 158 D N 1.991 122.501 120.400 0.184 0.000 2.368 158 D HA 0.220 4.865 4.640 0.008 0.000 0.240 158 D C -0.440 175.597 176.300 -0.438 0.000 1.169 158 D CA 1.351 55.310 54.000 -0.069 0.000 0.906 158 D CB 0.680 41.494 40.800 0.023 0.000 1.187 158 D HN 0.573 nan 8.370 nan 0.000 0.435 159 E N -0.526 118.754 120.200 -1.533 0.000 8.364 159 E HA -0.118 4.237 4.350 0.008 0.000 0.471 159 E C -2.533 173.465 176.600 -1.004 0.000 1.001 159 E CA -0.549 55.102 56.400 -1.248 0.000 1.790 159 E CB -0.693 28.830 29.700 -0.296 0.000 0.993 159 E HN 0.291 nan 8.360 nan 0.000 0.262 160 P HA -0.050 nan 4.420 nan 0.000 0.266 160 P C 0.713 177.857 177.300 -0.260 0.000 1.195 160 P CA 0.079 63.020 63.100 -0.265 0.000 0.768 160 P CB 0.317 31.516 31.700 -0.834 0.000 0.838 161 M N 0.948 120.480 119.600 -0.115 0.000 2.561 161 M HA 0.250 4.734 4.480 0.008 0.000 0.238 161 M C 0.532 176.860 176.300 0.046 0.000 1.131 161 M CA 0.416 55.625 55.300 -0.152 0.000 1.046 161 M CB -1.438 31.110 32.600 -0.085 0.000 1.532 161 M HN 0.174 nan 8.290 nan 0.000 0.497 162 G N 0.658 109.566 108.800 0.180 0.000 2.753 162 G HA2 0.665 4.629 3.960 0.008 0.000 0.285 162 G HA3 0.665 4.629 3.960 0.008 0.000 0.285 162 G C -0.836 174.179 174.900 0.193 0.000 1.344 162 G CA -0.045 45.242 45.100 0.311 0.000 1.050 162 G HN 0.752 nan 8.290 nan 0.000 0.532 163 C N -3.557 115.745 119.300 0.004 0.000 3.318 163 C HA 0.539 5.003 4.460 0.008 0.000 0.322 163 C C 0.963 175.832 174.990 -0.202 0.000 1.398 163 C CA -1.044 57.830 59.018 -0.239 0.000 1.339 163 C CB -0.110 27.346 27.740 -0.474 0.000 1.668 163 C HN 0.835 nan 8.230 nan 0.000 0.462 164 Y N 0.341 120.516 120.300 -0.209 0.000 2.315 164 Y HA -0.161 4.394 4.550 0.008 0.000 0.288 164 Y C 1.758 177.642 175.900 -0.028 0.000 1.154 164 Y CA 1.372 59.384 58.100 -0.148 0.000 1.229 164 Y CB -0.215 38.188 38.460 -0.095 0.000 0.980 164 Y HN 0.682 nan 8.280 nan 0.000 0.540 165 D N 0.012 120.484 120.400 0.120 0.000 2.351 165 D HA -0.145 4.499 4.640 0.008 0.000 0.216 165 D C 1.234 177.669 176.300 0.225 0.000 0.968 165 D CA 1.005 55.091 54.000 0.143 0.000 0.899 165 D CB -0.371 40.482 40.800 0.087 0.000 0.907 165 D HN 0.428 nan 8.370 nan 0.000 0.514 166 D N -0.090 120.455 120.400 0.242 0.000 2.312 166 D HA -0.016 4.629 4.640 0.008 0.000 0.211 166 D C 2.145 178.568 176.300 0.206 0.000 0.964 166 D CA 0.105 54.252 54.000 0.245 0.000 0.877 166 D CB 0.145 41.083 40.800 0.230 0.000 0.924 166 D HN 0.305 nan 8.370 nan 0.000 0.515 167 I N 1.867 122.592 120.570 0.258 0.000 2.179 167 I HA -0.235 3.939 4.170 0.008 0.000 0.242 167 I C 2.113 178.413 176.117 0.306 0.000 1.088 167 I CA 1.127 62.654 61.300 0.379 0.000 1.357 167 I CB -0.101 38.063 38.000 0.273 0.000 1.051 167 I HN -0.030 nan 8.210 nan 0.000 0.409 168 E N 0.449 120.761 120.200 0.187 0.000 2.511 168 E HA -0.170 4.185 4.350 0.008 0.000 0.196 168 E C 1.214 177.880 176.600 0.110 0.000 1.066 168 E CA 0.557 57.038 56.400 0.135 0.000 0.871 168 E CB -0.152 29.602 29.700 0.090 0.000 0.863 168 E HN 0.581 nan 8.360 nan 0.000 0.520 169 Q N 0.115 119.979 119.800 0.107 0.000 2.171 169 Q HA 0.326 4.670 4.340 0.008 0.000 0.218 169 Q C -0.042 175.951 176.000 -0.011 0.000 0.822 169 Q CA -0.091 55.742 55.803 0.050 0.000 0.987 169 Q CB 1.361 30.129 28.738 0.050 0.000 1.144 169 Q HN 0.256 nan 8.270 nan 0.000 0.494 170 A N 0.180 122.968 122.820 -0.053 0.000 2.322 170 A HA 0.226 4.550 4.320 0.008 0.000 0.269 170 A C 0.006 177.458 177.584 -0.220 0.000 1.094 170 A CA -0.335 51.552 52.037 -0.250 0.000 0.807 170 A CB 0.480 19.069 19.000 -0.684 0.000 1.047 170 A HN 0.135 nan 8.150 nan 0.000 0.487 171 D N 0.019 120.277 120.400 -0.236 0.000 2.324 171 D HA 0.329 4.973 4.640 0.008 0.000 0.212 171 D C 0.577 176.767 176.300 -0.183 0.000 0.984 171 D CA 1.512 55.421 54.000 -0.151 0.000 0.885 171 D CB 0.289 41.024 40.800 -0.110 0.000 0.996 171 D HN 0.671 nan 8.370 nan 0.000 0.505 172 A N -0.033 122.594 122.820 -0.322 0.000 2.498 172 A HA 0.651 4.976 4.320 0.008 0.000 0.298 172 A C -1.594 175.696 177.584 -0.491 0.000 1.075 172 A CA -0.577 51.295 52.037 -0.275 0.000 0.714 172 A CB 1.255 20.131 19.000 -0.207 0.000 1.299 172 A HN -0.054 nan 8.150 nan 0.000 0.407 173 F N 0.815 120.752 119.950 -0.021 0.000 2.493 173 F HA 0.561 5.093 4.527 0.008 0.000 0.329 173 F C -0.132 175.670 175.800 0.004 0.000 1.126 173 F CA -0.682 57.343 58.000 0.042 0.000 0.937 173 F CB 2.474 41.560 39.000 0.143 0.000 1.146 173 F HN 0.256 nan 8.300 nan 0.000 0.442 174 V N 5.120 125.125 119.914 0.152 0.000 2.378 174 V HA 0.378 4.503 4.120 0.008 0.000 0.288 174 V C -0.319 175.819 176.094 0.074 0.000 1.016 174 V CA -0.717 61.581 62.300 -0.004 0.000 0.840 174 V CB 1.567 33.338 31.823 -0.088 0.000 0.994 174 V HN 0.539 nan 8.190 nan 0.000 0.431 175 L N 4.295 125.522 121.223 0.006 0.000 2.265 175 L HA 0.403 4.748 4.340 0.008 0.000 0.289 175 L C -0.518 176.329 176.870 -0.038 0.000 1.033 175 L CA -0.212 54.697 54.840 0.115 0.000 0.814 175 L CB 1.258 43.376 42.059 0.098 0.000 1.203 175 L HN 0.733 nan 8.230 nan 0.000 0.423 176 W N 3.693 125.021 121.300 0.048 0.000 1.809 176 W HA 0.363 5.028 4.660 0.007 0.000 0.399 176 W C 1.278 177.701 176.519 -0.159 0.000 0.636 176 W CA 0.135 57.376 57.345 -0.173 0.000 2.178 176 W CB 0.529 29.606 29.460 -0.639 0.000 1.632 176 W HN 0.887 nan 8.180 nan 0.000 0.470 177 G N 0.264 109.193 108.800 0.215 0.000 2.175 177 G HA2 -0.187 3.777 3.960 0.008 0.000 0.244 177 G HA3 -0.187 3.777 3.960 0.008 0.000 0.244 177 G C 0.325 175.297 174.900 0.120 0.000 0.982 177 G CA -0.348 44.888 45.100 0.226 0.000 0.641 177 G HN 0.601 nan 8.290 nan 0.000 0.527 178 A N 0.529 123.411 122.820 0.103 0.000 2.410 178 A HA 0.560 4.884 4.320 0.008 0.000 0.292 178 A C 0.618 178.135 177.584 -0.112 0.000 1.232 178 A CA 0.484 52.550 52.037 0.048 0.000 0.893 178 A CB -0.198 18.863 19.000 0.102 0.000 1.131 178 A HN 0.620 nan 8.150 nan 0.000 0.530 179 N N 3.533 122.078 118.700 -0.258 0.000 3.103 179 N HA 0.089 4.833 4.740 0.008 0.000 0.305 179 N C 1.039 176.289 175.510 -0.433 0.000 1.232 179 N CA -0.284 52.414 53.050 -0.586 0.000 1.190 179 N CB -0.108 37.889 38.487 -0.817 0.000 1.461 179 N HN 0.765 nan 8.380 nan 0.000 0.538 180 M N 0.500 119.828 119.600 -0.453 0.000 2.279 180 M HA -0.141 4.343 4.480 0.008 0.000 0.264 180 M C 2.273 178.252 176.300 -0.535 0.000 1.062 180 M CA 0.920 56.001 55.300 -0.365 0.000 1.099 180 M CB -0.129 32.305 32.600 -0.276 0.000 1.394 180 M HN 0.522 nan 8.290 nan 0.000 0.426 181 A N 0.785 122.983 122.820 -1.036 0.000 1.940 181 A HA -0.184 4.140 4.320 0.008 0.000 0.219 181 A C 1.942 179.339 177.584 -0.313 0.000 1.176 181 A CA 1.807 53.305 52.037 -0.899 0.000 0.631 181 A CB -0.443 18.087 19.000 -0.784 0.000 0.814 181 A HN 0.586 nan 8.150 nan 0.000 0.446 182 E N -1.625 118.405 120.200 -0.284 0.000 2.340 182 E HA 0.066 4.420 4.350 0.008 0.000 0.198 182 E C 1.351 177.859 176.600 -0.152 0.000 0.961 182 E CA 0.415 56.713 56.400 -0.170 0.000 0.905 182 E CB 0.070 29.679 29.700 -0.153 0.000 0.884 182 E HN 0.515 nan 8.360 nan 0.000 0.491 183 M N -0.439 119.057 119.600 -0.174 0.000 2.421 183 M HA 0.164 4.648 4.480 0.008 0.000 0.258 183 M C 0.153 176.191 176.300 -0.437 0.000 1.122 183 M CA 0.791 55.959 55.300 -0.220 0.000 1.078 183 M CB -0.197 32.303 32.600 -0.165 0.000 1.380 183 M HN 0.012 nan 8.290 nan 0.000 0.499 184 H N -0.822 118.203 119.070 -0.076 0.000 2.716 184 H HA 0.268 4.829 4.556 0.008 0.000 0.230 184 H C -1.929 173.367 175.328 -0.054 0.000 1.401 184 H CA -1.088 54.921 56.048 -0.066 0.000 1.168 184 H CB 0.260 29.957 29.762 -0.109 0.000 1.935 184 H HN -0.019 nan 8.280 nan 0.000 0.538 185 P HA -0.201 nan 4.420 nan 0.000 0.215 185 P C 1.361 178.709 177.300 0.080 0.000 1.157 185 P CA 1.061 64.199 63.100 0.063 0.000 0.874 185 P CB 0.397 32.106 31.700 0.016 0.000 0.790 186 I N -1.527 119.051 120.570 0.013 0.000 2.286 186 I HA -0.184 3.991 4.170 0.008 0.000 0.248 186 I C 2.291 178.358 176.117 -0.084 0.000 1.115 186 I CA 1.272 62.553 61.300 -0.032 0.000 1.392 186 I CB -1.082 36.890 38.000 -0.047 0.000 1.065 186 I HN -0.119 nan 8.210 nan 0.000 0.418 187 L N -1.446 119.708 121.223 -0.115 0.000 2.017 187 L HA -0.273 4.071 4.340 0.008 0.000 0.208 187 L C 2.503 179.318 176.870 -0.091 0.000 1.073 187 L CA 1.593 56.310 54.840 -0.205 0.000 0.745 187 L CB -0.766 41.103 42.059 -0.316 0.000 0.894 187 L HN 0.496 nan 8.230 nan 0.000 0.432 188 W N 0.609 121.778 121.300 -0.220 0.000 2.318 188 W HA -0.323 4.341 4.660 0.008 0.000 0.313 188 W C 2.876 179.287 176.519 -0.180 0.000 1.221 188 W CA 1.800 59.023 57.345 -0.203 0.000 1.266 188 W CB -0.069 29.308 29.460 -0.140 0.000 1.150 188 W HN 0.225 nan 8.180 nan 0.000 0.496 189 S N 0.651 116.295 115.700 -0.093 0.000 2.359 189 S HA -0.244 4.230 4.470 0.008 0.000 0.224 189 S C 1.821 176.286 174.600 -0.225 0.000 1.035 189 S CA 1.829 59.921 58.200 -0.179 0.000 1.018 189 S CB -0.337 62.821 63.200 -0.069 0.000 0.876 189 S HN 0.347 nan 8.310 nan 0.000 0.448 190 R N 0.072 120.463 120.500 -0.182 0.000 2.120 190 R HA 0.067 4.411 4.340 0.008 0.000 0.234 190 R C 2.275 178.424 176.300 -0.251 0.000 1.123 190 R CA 1.597 57.599 56.100 -0.163 0.000 0.975 190 R CB -0.434 29.804 30.300 -0.104 0.000 0.866 190 R HN 0.470 nan 8.270 nan 0.000 0.446 191 I N 0.112 120.436 120.570 -0.410 0.000 2.133 191 I HA -0.257 3.917 4.170 0.008 0.000 0.238 191 I C 2.057 177.757 176.117 -0.695 0.000 1.074 191 I CA 1.471 62.352 61.300 -0.699 0.000 1.342 191 I CB -0.512 36.941 38.000 -0.912 0.000 1.053 191 I HN 0.152 nan 8.210 nan 0.000 0.404 192 T N 1.026 115.081 114.554 -0.833 0.000 2.592 192 T HA -0.269 4.085 4.350 0.008 0.000 0.267 192 T C 1.691 176.177 174.700 -0.355 0.000 1.060 192 T CA 2.127 63.837 62.100 -0.650 0.000 1.167 192 T CB -0.632 67.849 68.868 -0.646 0.000 0.863 192 T HN 0.272 nan 8.240 nan 0.000 0.431 193 N N 0.543 119.079 118.700 -0.274 0.000 2.069 193 N HA -0.149 4.596 4.740 0.008 0.000 0.196 193 N C 1.926 177.364 175.510 -0.120 0.000 1.024 193 N CA 1.495 54.449 53.050 -0.160 0.000 0.869 193 N CB -0.406 38.010 38.487 -0.119 0.000 1.035 193 N HN 0.275 nan 8.380 nan 0.000 0.434 194 R N 1.172 121.600 120.500 -0.121 0.000 2.062 194 R HA -0.009 4.336 4.340 0.008 0.000 0.231 194 R C 2.128 178.416 176.300 -0.020 0.000 1.136 194 R CA 1.469 57.553 56.100 -0.026 0.000 0.948 194 R CB -0.670 29.672 30.300 0.070 0.000 0.845 194 R HN 0.087 nan 8.270 nan 0.000 0.430 195 R N 0.202 120.648 120.500 -0.091 0.000 2.094 195 R HA -0.069 4.276 4.340 0.008 0.000 0.239 195 R C 1.841 178.100 176.300 -0.068 0.000 1.137 195 R CA 1.728 57.787 56.100 -0.069 0.000 0.943 195 R CB -1.119 29.086 30.300 -0.159 0.000 0.850 195 R HN 0.347 nan 8.270 nan 0.000 0.433 196 L N 0.873 122.032 121.223 -0.107 0.000 2.456 196 L HA 0.039 4.383 4.340 0.008 0.000 0.224 196 L C 1.191 178.030 176.870 -0.051 0.000 1.148 196 L CA 1.880 56.671 54.840 -0.081 0.000 0.825 196 L CB -0.634 41.363 42.059 -0.102 0.000 0.937 196 L HN 0.478 nan 8.230 nan 0.000 0.450 197 S N -2.218 113.456 115.700 -0.043 0.000 2.588 197 S HA 0.267 4.742 4.470 0.008 0.000 0.245 197 S C 0.353 174.946 174.600 -0.011 0.000 1.021 197 S CA -0.543 57.642 58.200 -0.025 0.000 1.006 197 S CB -0.145 63.040 63.200 -0.025 0.000 0.830 197 S HN 0.353 nan 8.310 nan 0.000 0.468 198 N N 1.758 120.453 118.700 -0.008 0.000 2.905 198 N HA 0.052 4.797 4.740 0.008 0.000 0.255 198 N C 0.251 175.763 175.510 0.003 0.000 1.199 198 N CA -0.024 53.028 53.050 0.002 0.000 0.911 198 N CB 1.842 40.338 38.487 0.015 0.000 1.550 198 N HN 0.474 nan 8.380 nan 0.000 0.599 199 Q N 0.815 120.616 119.800 0.001 0.000 2.364 199 Q HA 0.031 4.375 4.340 0.008 0.000 0.207 199 Q C 0.315 176.318 176.000 0.005 0.000 0.970 199 Q CA 1.356 57.160 55.803 0.002 0.000 0.888 199 Q CB -0.271 28.468 28.738 0.001 0.000 0.951 199 Q HN 0.429 nan 8.270 nan 0.000 0.469 200 N N -0.001 118.703 118.700 0.005 0.000 2.370 200 N HA 0.131 4.875 4.740 0.008 0.000 0.198 200 N C -1.125 174.387 175.510 0.004 0.000 1.156 200 N CA -0.316 52.736 53.050 0.003 0.000 0.839 200 N CB 0.804 39.291 38.487 -0.000 0.000 0.989 200 N HN -0.019 nan 8.380 nan 0.000 0.468 201 V N 0.824 120.749 119.914 0.018 0.000 2.555 201 V HA 0.329 4.454 4.120 0.008 0.000 0.302 201 V C -0.045 176.079 176.094 0.049 0.000 1.038 201 V CA -0.489 61.834 62.300 0.038 0.000 0.887 201 V CB 1.888 33.763 31.823 0.087 0.000 0.991 201 V HN 0.010 nan 8.190 nan 0.000 0.434 202 T N 3.644 118.227 114.554 0.048 0.000 2.912 202 T HA 0.751 5.105 4.350 0.008 0.000 0.288 202 T C -0.739 174.028 174.700 0.112 0.000 1.030 202 T CA -0.619 61.508 62.100 0.046 0.000 1.020 202 T CB 1.987 70.854 68.868 -0.003 0.000 1.056 202 T HN 0.347 nan 8.240 nan 0.000 0.480 203 V N 1.395 121.365 119.914 0.092 0.000 2.524 203 V HA 0.737 4.861 4.120 0.008 0.000 0.297 203 V C -0.417 175.704 176.094 0.045 0.000 1.035 203 V CA -0.965 61.413 62.300 0.131 0.000 0.867 203 V CB 1.427 33.305 31.823 0.091 0.000 1.004 203 V HN 1.162 nan 8.190 nan 0.000 0.426 204 A N 4.661 127.490 122.820 0.016 0.000 2.318 204 A HA 0.882 5.207 4.320 0.008 0.000 0.317 204 A C -0.849 176.654 177.584 -0.135 0.000 1.159 204 A CA -0.558 51.434 52.037 -0.076 0.000 0.799 204 A CB 1.518 20.449 19.000 -0.114 0.000 1.194 204 A HN 0.708 nan 8.150 nan 0.000 0.479 205 V N 4.131 123.895 119.914 -0.249 0.000 2.378 205 V HA 0.421 4.545 4.120 0.008 0.000 0.288 205 V C -0.739 175.109 176.094 -0.409 0.000 1.016 205 V CA -0.302 61.754 62.300 -0.408 0.000 0.840 205 V CB 0.935 32.310 31.823 -0.746 0.000 0.994 205 V HN 0.756 nan 8.190 nan 0.000 0.431 206 L N 4.015 125.125 121.223 -0.189 0.000 2.331 206 L HA 0.911 5.255 4.340 0.008 0.000 0.275 206 L C 0.142 177.195 176.870 0.305 0.000 1.022 206 L CA 0.145 55.057 54.840 0.121 0.000 0.812 206 L CB 1.810 43.918 42.059 0.081 0.000 1.257 206 L HN 0.691 nan 8.230 nan 0.000 0.435 207 S N -0.506 115.420 115.700 0.376 0.000 2.615 207 S HA 0.370 4.844 4.470 0.008 0.000 0.268 207 S C 0.160 174.425 174.600 -0.557 0.000 1.146 207 S CA -0.252 57.948 58.200 -0.000 0.000 0.818 207 S CB 1.657 64.911 63.200 0.090 0.000 1.111 207 S HN 0.619 nan 8.310 nan 0.000 0.465 208 T N 1.365 115.526 114.554 -0.656 0.000 3.057 208 T HA 0.319 4.673 4.350 0.008 0.000 0.254 208 T C -0.819 173.758 174.700 -0.205 0.000 1.094 208 T CA 0.982 62.739 62.100 -0.572 0.000 1.088 208 T CB -0.347 68.284 68.868 -0.394 0.000 0.934 208 T HN 0.573 nan 8.240 nan 0.000 0.497 209 Y N -0.772 119.414 120.300 -0.191 0.000 2.581 209 Y HA 0.634 5.188 4.550 0.008 0.000 0.337 209 Y C -0.572 175.096 175.900 -0.386 0.000 1.108 209 Y CA -1.856 56.118 58.100 -0.209 0.000 1.033 209 Y CB 0.801 39.181 38.460 -0.133 0.000 1.318 209 Y HN -0.291 nan 8.280 nan 0.000 0.459 210 Q N 3.752 123.331 119.800 -0.367 0.000 2.337 210 Q HA 0.263 4.607 4.340 0.008 0.000 0.270 210 Q C -0.674 175.160 176.000 -0.276 0.000 1.002 210 Q CA 0.028 55.370 55.803 -0.768 0.000 0.888 210 Q CB 0.455 28.822 28.738 -0.617 0.000 1.222 210 Q HN 1.006 nan 8.270 nan 0.000 0.400 211 H N 0.996 120.040 119.070 -0.044 0.000 2.947 211 H HA 0.321 4.882 4.556 0.008 0.000 0.290 211 H C -0.129 175.254 175.328 0.093 0.000 1.430 211 H CA -1.015 55.055 56.048 0.037 0.000 1.189 211 H CB 0.741 30.504 29.762 0.002 0.000 1.875 211 H HN 0.563 nan 8.280 nan 0.000 0.568 212 R N -0.049 120.598 120.500 0.246 0.000 2.303 212 R HA -0.026 4.318 4.340 0.008 0.000 0.225 212 R C 1.537 177.922 176.300 0.142 0.000 1.114 212 R CA 1.285 57.476 56.100 0.151 0.000 1.007 212 R CB -0.010 30.324 30.300 0.057 0.000 0.861 212 R HN 0.390 nan 8.270 nan 0.000 0.471 213 S N -0.352 115.460 115.700 0.186 0.000 2.522 213 S HA 0.023 4.498 4.470 0.008 0.000 0.227 213 S C 0.999 175.626 174.600 0.045 0.000 0.986 213 S CA 0.562 58.648 58.200 -0.191 0.000 0.929 213 S CB -0.014 62.940 63.200 -0.410 0.000 0.769 213 S HN 0.206 nan 8.310 nan 0.000 0.529 214 F N 1.817 121.777 119.950 0.017 0.000 2.149 214 F HA 0.032 4.564 4.527 0.007 0.000 0.294 214 F C 2.222 178.069 175.800 0.079 0.000 1.095 214 F CA 0.855 58.858 58.000 0.005 0.000 1.276 214 F CB -0.571 38.367 39.000 -0.103 0.000 1.023 214 F HN 0.150 nan 8.300 nan 0.000 0.480 215 E N 0.055 120.423 120.200 0.281 0.000 2.430 215 E HA -0.367 3.987 4.350 0.008 0.000 0.243 215 E C 1.867 178.573 176.600 0.177 0.000 1.111 215 E CA 2.240 58.762 56.400 0.203 0.000 1.097 215 E CB -0.573 29.253 29.700 0.209 0.000 0.941 215 E HN 0.348 nan 8.360 nan 0.000 0.473 216 L N -0.319 121.046 121.223 0.236 0.000 2.585 216 L HA 0.260 4.605 4.340 0.008 0.000 0.226 216 L C 0.271 177.197 176.870 0.094 0.000 1.113 216 L CA 0.499 55.419 54.840 0.134 0.000 0.876 216 L CB 0.283 42.376 42.059 0.056 0.000 1.072 216 L HN 0.088 nan 8.230 nan 0.000 0.468 217 A N -0.053 122.824 122.820 0.095 0.000 2.476 217 A HA 0.063 4.387 4.320 0.008 0.000 0.275 217 A C 0.902 178.510 177.584 0.040 0.000 1.133 217 A CA -0.107 51.944 52.037 0.023 0.000 0.797 217 A CB -0.207 18.730 19.000 -0.105 0.000 1.081 217 A HN 0.400 nan 8.150 nan 0.000 0.510 218 D N 1.804 122.221 120.400 0.028 0.000 2.106 218 D HA -0.158 4.487 4.640 0.008 0.000 0.191 218 D C 0.675 176.991 176.300 0.027 0.000 0.997 218 D CA 1.665 55.681 54.000 0.026 0.000 0.834 218 D CB 0.058 40.869 40.800 0.019 0.000 0.956 218 D HN 0.773 nan 8.370 nan 0.000 0.448 219 N N -0.054 118.652 118.700 0.010 0.000 2.564 219 N HA 0.374 5.118 4.740 0.008 0.000 0.248 219 N C -0.904 174.607 175.510 0.001 0.000 0.986 219 N CA -0.283 52.773 53.050 0.011 0.000 0.921 219 N CB 1.151 39.633 38.487 -0.009 0.000 1.136 219 N HN -0.053 nan 8.380 nan 0.000 0.509 220 G N 3.743 112.590 108.800 0.078 0.000 2.437 220 G HA2 0.558 4.523 3.960 0.008 0.000 0.315 220 G HA3 0.558 4.523 3.960 0.008 0.000 0.315 220 G C -0.573 174.520 174.900 0.321 0.000 1.210 220 G CA -0.390 44.815 45.100 0.175 0.000 0.943 220 G HN 0.515 nan 8.290 nan 0.000 0.471 221 I N 2.322 123.090 120.570 0.329 0.000 2.465 221 I HA 0.350 4.525 4.170 0.008 0.000 0.291 221 I C -0.861 175.462 176.117 0.345 0.000 1.014 221 I CA -0.842 60.621 61.300 0.272 0.000 1.093 221 I CB 2.291 40.404 38.000 0.188 0.000 1.267 221 I HN 0.195 nan 8.210 nan 0.000 0.431 222 I N 7.257 127.945 120.570 0.196 0.000 2.354 222 I HA 0.394 4.568 4.170 0.008 0.000 0.292 222 I C -0.462 175.736 176.117 0.134 0.000 0.989 222 I CA -0.233 61.106 61.300 0.067 0.000 1.188 222 I CB 0.876 38.842 38.000 -0.058 0.000 1.342 222 I HN 0.318 nan 8.210 nan 0.000 0.457 223 F N 2.486 122.475 119.950 0.065 0.000 2.603 223 F HA 0.698 5.230 4.527 0.008 0.000 0.317 223 F C -0.011 175.817 175.800 0.047 0.000 1.066 223 F CA -1.085 56.957 58.000 0.070 0.000 0.941 223 F CB 1.015 40.078 39.000 0.105 0.000 1.291 223 F HN 0.266 nan 8.300 nan 0.000 0.472 224 T N 2.905 117.597 114.554 0.229 0.000 2.884 224 T HA 0.351 4.706 4.350 0.008 0.000 0.298 224 T C -2.527 172.223 174.700 0.083 0.000 0.998 224 T CA -1.295 60.864 62.100 0.099 0.000 1.124 224 T CB 0.315 69.311 68.868 0.213 0.000 0.931 224 T HN 0.441 nan 8.240 nan 0.000 0.531 225 P HA -0.001 nan 4.420 nan 0.000 0.263 225 P C 0.353 177.640 177.300 -0.023 0.000 1.175 225 P CA 0.588 63.466 63.100 -0.370 0.000 0.761 225 P CB 0.292 31.242 31.700 -1.249 0.000 0.794 226 Q N 0.336 120.207 119.800 0.118 0.000 2.559 226 Q HA -0.199 4.146 4.340 0.008 0.000 0.151 226 Q C 1.323 177.608 176.000 0.475 0.000 0.725 226 Q CA 2.102 58.060 55.803 0.257 0.000 1.230 226 Q CB -2.549 26.350 28.738 0.269 0.000 1.099 226 Q HN 0.701 nan 8.270 nan 0.000 1.047 227 S N 1.007 116.964 115.700 0.429 0.000 2.603 227 S HA -0.084 4.391 4.470 0.008 0.000 0.229 227 S C 1.178 175.878 174.600 0.167 0.000 0.972 227 S CA 1.094 59.475 58.200 0.302 0.000 0.935 227 S CB -0.207 63.132 63.200 0.232 0.000 0.769 227 S HN 0.454 nan 8.310 nan 0.000 0.536 228 D N 2.874 123.352 120.400 0.129 0.000 2.182 228 D HA -0.159 4.485 4.640 0.008 0.000 0.201 228 D C 1.769 178.065 176.300 -0.006 0.000 0.986 228 D CA 0.848 54.847 54.000 -0.002 0.000 0.847 228 D CB -0.821 40.072 40.800 0.155 0.000 0.942 228 D HN 0.467 nan 8.370 nan 0.000 0.467 229 L N 0.398 121.669 121.223 0.080 0.000 2.012 229 L HA -0.171 4.173 4.340 0.008 0.000 0.210 229 L C 2.708 179.547 176.870 -0.052 0.000 1.073 229 L CA 0.983 55.833 54.840 0.018 0.000 0.748 229 L CB -0.572 41.627 42.059 0.233 0.000 0.891 229 L HN -0.010 nan 8.230 nan 0.000 0.431 230 V N 0.200 120.148 119.914 0.056 0.000 2.231 230 V HA -0.337 3.788 4.120 0.008 0.000 0.248 230 V C 2.342 178.430 176.094 -0.009 0.000 1.054 230 V CA 2.132 64.415 62.300 -0.029 0.000 1.015 230 V CB -0.599 31.240 31.823 0.026 0.000 0.638 230 V HN 0.310 nan 8.190 nan 0.000 0.444 231 I N -0.355 120.252 120.570 0.061 0.000 2.151 231 I HA -0.311 3.864 4.170 0.008 0.000 0.243 231 I C 2.490 178.698 176.117 0.153 0.000 1.080 231 I CA 1.838 63.243 61.300 0.176 0.000 1.339 231 I CB -0.407 37.729 38.000 0.227 0.000 1.039 231 I HN 0.265 nan 8.210 nan 0.000 0.409 232 L N 0.263 121.457 121.223 -0.047 0.000 2.012 232 L HA -0.259 4.085 4.340 0.008 0.000 0.210 232 L C 2.179 178.936 176.870 -0.190 0.000 1.073 232 L CA 1.984 56.692 54.840 -0.220 0.000 0.748 232 L CB -0.711 41.083 42.059 -0.442 0.000 0.891 232 L HN 0.304 nan 8.230 nan 0.000 0.431 233 N N -1.308 117.249 118.700 -0.239 0.000 2.058 233 N HA -0.283 4.462 4.740 0.008 0.000 0.191 233 N C 1.811 177.282 175.510 -0.065 0.000 1.037 233 N CA 1.500 54.395 53.050 -0.259 0.000 0.848 233 N CB -0.320 37.671 38.487 -0.826 0.000 1.021 233 N HN 0.270 nan 8.380 nan 0.000 0.422 234 Y N 1.802 122.070 120.300 -0.053 0.000 2.102 234 Y HA -0.235 4.320 4.550 0.008 0.000 0.280 234 Y C 1.854 177.804 175.900 0.083 0.000 1.178 234 Y CA 1.508 59.654 58.100 0.077 0.000 1.146 234 Y CB -0.500 38.015 38.460 0.092 0.000 0.968 234 Y HN 0.081 nan 8.280 nan 0.000 0.504 235 I N 0.336 120.710 120.570 -0.327 0.000 2.286 235 I HA -0.319 3.856 4.170 0.008 0.000 0.248 235 I C 2.679 178.660 176.117 -0.226 0.000 1.115 235 I CA 1.183 62.255 61.300 -0.381 0.000 1.392 235 I CB -0.745 37.141 38.000 -0.191 0.000 1.065 235 I HN 0.416 nan 8.210 nan 0.000 0.418 236 A N 0.585 123.309 122.820 -0.159 0.000 1.898 236 A HA -0.239 4.085 4.320 0.008 0.000 0.216 236 A C 2.126 179.655 177.584 -0.092 0.000 1.181 236 A CA 1.889 53.879 52.037 -0.079 0.000 0.620 236 A CB -0.984 18.002 19.000 -0.023 0.000 0.819 236 A HN 0.517 nan 8.150 nan 0.000 0.442 237 N N -1.649 116.980 118.700 -0.117 0.000 2.007 237 N HA -0.297 4.448 4.740 0.008 0.000 0.197 237 N C 1.791 177.243 175.510 -0.096 0.000 1.050 237 N CA 2.020 55.010 53.050 -0.099 0.000 0.856 237 N CB -0.388 38.092 38.487 -0.010 0.000 1.050 237 N HN 0.489 nan 8.380 nan 0.000 0.423 238 Y N 1.539 121.647 120.300 -0.320 0.000 2.096 238 Y HA -0.273 4.281 4.550 0.008 0.000 0.278 238 Y C 2.199 178.013 175.900 -0.142 0.000 1.192 238 Y CA 1.891 59.825 58.100 -0.277 0.000 1.143 238 Y CB -0.477 37.683 38.460 -0.499 0.000 0.963 238 Y HN 0.186 nan 8.280 nan 0.000 0.505 239 I N -0.321 120.309 120.570 0.100 0.000 2.127 239 I HA -0.387 3.788 4.170 0.008 0.000 0.241 239 I C 2.327 178.432 176.117 -0.021 0.000 1.075 239 I CA 1.474 62.816 61.300 0.069 0.000 1.334 239 I CB -0.549 37.492 38.000 0.068 0.000 1.040 239 I HN 0.236 nan 8.210 nan 0.000 0.405 240 I N 0.133 120.686 120.570 -0.029 0.000 2.069 240 I HA -0.361 3.813 4.170 0.008 0.000 0.237 240 I C 2.577 178.656 176.117 -0.063 0.000 1.053 240 I CA 1.748 63.037 61.300 -0.019 0.000 1.311 240 I CB -1.362 36.620 38.000 -0.031 0.000 1.030 240 I HN 0.307 nan 8.210 nan 0.000 0.398 241 Q N 0.970 120.704 119.800 -0.110 0.000 2.366 241 Q HA -0.188 4.157 4.340 0.008 0.000 0.214 241 Q C 0.960 176.845 176.000 -0.192 0.000 0.994 241 Q CA 1.438 57.152 55.803 -0.150 0.000 0.909 241 Q CB -0.179 28.439 28.738 -0.199 0.000 0.918 241 Q HN 0.494 nan 8.270 nan 0.000 0.436 242 N N -1.169 117.404 118.700 -0.211 0.000 2.401 242 N HA 0.079 4.824 4.740 0.008 0.000 0.264 242 N C -0.332 175.124 175.510 -0.091 0.000 1.238 242 N CA 0.656 53.595 53.050 -0.186 0.000 0.889 242 N CB 0.004 38.322 38.487 -0.282 0.000 1.196 242 N HN 0.414 nan 8.380 nan 0.000 0.511 243 N N 0.759 119.419 118.700 -0.066 0.000 2.677 243 N HA -0.280 4.465 4.740 0.008 0.000 0.249 243 N C 1.000 176.488 175.510 -0.037 0.000 1.073 243 N CA 1.076 54.100 53.050 -0.044 0.000 0.737 243 N CB -1.890 36.575 38.487 -0.037 0.000 0.999 243 N HN 0.464 nan 8.380 nan 0.000 0.543 244 A N -0.900 121.902 122.820 -0.030 0.000 2.278 244 A HA 0.527 4.852 4.320 0.008 0.000 0.212 244 A C 0.813 178.393 177.584 -0.007 0.000 1.213 244 A CA 0.095 52.131 52.037 -0.003 0.000 0.840 244 A CB 0.063 19.083 19.000 0.034 0.000 0.866 244 A HN 0.799 nan 8.150 nan 0.000 0.489 245 I N 1.513 122.055 120.570 -0.047 0.000 2.533 245 I HA -0.023 4.151 4.170 0.008 0.000 0.284 245 I C 0.489 176.589 176.117 -0.028 0.000 1.109 245 I CA -0.376 60.873 61.300 -0.085 0.000 1.412 245 I CB 0.405 38.240 38.000 -0.274 0.000 1.396 245 I HN 0.202 nan 8.210 nan 0.000 0.543 246 N N 6.933 125.659 118.700 0.043 0.000 2.399 246 N HA -0.066 4.679 4.740 0.008 0.000 0.284 246 N C 0.903 176.521 175.510 0.180 0.000 1.283 246 N CA 0.220 53.337 53.050 0.112 0.000 0.972 246 N CB 0.735 39.300 38.487 0.129 0.000 1.328 246 N HN 0.520 nan 8.380 nan 0.000 0.486 247 Q N 1.942 121.806 119.800 0.106 0.000 2.084 247 Q HA -0.162 4.183 4.340 0.008 0.000 0.202 247 Q C 1.068 177.169 176.000 0.168 0.000 0.978 247 Q CA 1.291 57.156 55.803 0.104 0.000 0.844 247 Q CB -0.240 28.515 28.738 0.027 0.000 0.898 247 Q HN 0.694 nan 8.270 nan 0.000 0.426 248 D N -0.050 120.450 120.400 0.166 0.000 2.084 248 D HA -0.173 4.471 4.640 0.008 0.000 0.194 248 D C 1.754 178.169 176.300 0.192 0.000 0.990 248 D CA 0.983 55.075 54.000 0.152 0.000 0.826 248 D CB -0.354 40.543 40.800 0.162 0.000 0.971 248 D HN 0.195 nan 8.370 nan 0.000 0.453 249 F N -0.199 119.858 119.950 0.179 0.000 2.075 249 F HA -0.142 4.390 4.527 0.008 0.000 0.297 249 F C 2.118 178.025 175.800 0.179 0.000 1.113 249 F CA 1.451 59.611 58.000 0.266 0.000 1.218 249 F CB -0.665 38.480 39.000 0.243 0.000 0.984 249 F HN -0.001 nan 8.300 nan 0.000 0.472 250 F N 0.515 120.650 119.950 0.308 0.000 2.236 250 F HA -0.245 4.286 4.527 0.008 0.000 0.302 250 F C 2.381 178.140 175.800 -0.069 0.000 1.073 250 F CA 1.891 59.973 58.000 0.136 0.000 1.336 250 F CB -0.670 38.399 39.000 0.114 0.000 1.040 250 F HN 0.011 nan 8.300 nan 0.000 0.507 251 S N -0.473 115.217 115.700 -0.016 0.000 2.371 251 S HA -0.058 4.416 4.470 0.008 0.000 0.221 251 S C 1.788 176.226 174.600 -0.269 0.000 1.036 251 S CA 0.839 58.964 58.200 -0.125 0.000 0.965 251 S CB -0.020 63.156 63.200 -0.040 0.000 0.845 251 S HN 0.308 nan 8.310 nan 0.000 0.475 252 K N -0.127 120.030 120.400 -0.404 0.000 2.296 252 K HA 0.064 4.389 4.320 0.008 0.000 0.200 252 K C 0.843 177.059 176.600 -0.640 0.000 1.048 252 K CA 0.942 56.860 56.287 -0.616 0.000 0.966 252 K CB 0.030 31.949 32.500 -0.968 0.000 0.754 252 K HN 0.500 nan 8.250 nan 0.000 0.466 253 H N -1.667 117.181 119.070 -0.369 0.000 3.398 253 H HA 0.214 4.775 4.556 0.008 0.000 0.260 253 H C -0.783 174.251 175.328 -0.491 0.000 1.189 253 H CA -0.553 55.226 56.048 -0.448 0.000 1.145 253 H CB 1.290 30.565 29.762 -0.812 0.000 1.599 253 H HN -0.182 nan 8.280 nan 0.000 0.615 254 V N 1.130 120.781 119.914 -0.438 0.000 2.769 254 V HA 0.293 4.417 4.120 0.008 0.000 0.312 254 V C -0.580 175.224 176.094 -0.484 0.000 1.061 254 V CA -0.882 61.129 62.300 -0.482 0.000 0.931 254 V CB 2.201 33.694 31.823 -0.551 0.000 1.010 254 V HN 0.334 nan 8.190 nan 0.000 0.433 255 N N 2.391 120.827 118.700 -0.440 0.000 2.292 255 N HA 0.771 5.516 4.740 0.008 0.000 0.303 255 N C -1.548 173.687 175.510 -0.458 0.000 1.140 255 N CA -0.813 51.995 53.050 -0.404 0.000 0.788 255 N CB 2.241 40.524 38.487 -0.339 0.000 1.361 255 N HN 0.460 nan 8.380 nan 0.000 0.489 256 L N 1.357 122.341 121.223 -0.399 0.000 2.329 256 L HA 0.608 4.953 4.340 0.008 0.000 0.279 256 L C -0.013 176.590 176.870 -0.445 0.000 1.014 256 L CA -0.650 53.925 54.840 -0.441 0.000 0.814 256 L CB 1.407 43.277 42.059 -0.315 0.000 1.257 256 L HN 0.370 nan 8.230 nan 0.000 0.424 257 R N 1.636 121.788 120.500 -0.580 0.000 2.795 257 R HA 0.452 4.797 4.340 0.008 0.000 0.275 257 R C -1.089 174.976 176.300 -0.392 0.000 0.981 257 R CA -1.071 54.728 56.100 -0.502 0.000 0.917 257 R CB 3.020 32.886 30.300 -0.723 0.000 1.202 257 R HN 0.444 nan 8.270 nan 0.000 0.469 258 K N 0.862 121.109 120.400 -0.254 0.000 2.211 258 K HA 0.333 4.658 4.320 0.008 0.000 0.275 258 K C -0.210 176.308 176.600 -0.137 0.000 1.024 258 K CA -0.296 55.860 56.287 -0.218 0.000 0.887 258 K CB 1.433 33.846 32.500 -0.145 0.000 1.084 258 K HN 0.797 nan 8.250 nan 0.000 0.463 259 G N 2.005 110.717 108.800 -0.147 0.000 2.448 259 G HA2 0.466 4.431 3.960 0.008 0.000 0.285 259 G HA3 0.466 4.431 3.960 0.008 0.000 0.285 259 G C -0.572 174.276 174.900 -0.086 0.000 1.176 259 G CA -0.678 44.376 45.100 -0.075 0.000 0.852 259 G HN 0.783 nan 8.290 nan 0.000 0.530 260 A N 0.869 123.695 122.820 0.010 0.000 2.498 260 A HA 0.568 4.892 4.320 0.008 0.000 0.239 260 A C 1.054 178.711 177.584 0.120 0.000 1.068 260 A CA 0.631 52.702 52.037 0.057 0.000 0.766 260 A CB -0.024 19.024 19.000 0.080 0.000 1.003 260 A HN 1.372 nan 8.150 nan 0.000 0.497 261 T N -1.200 113.430 114.554 0.127 0.000 2.938 261 T HA 0.558 4.913 4.350 0.008 0.000 0.285 261 T C -0.228 174.605 174.700 0.221 0.000 1.028 261 T CA 0.213 62.452 62.100 0.232 0.000 1.005 261 T CB 1.339 70.292 68.868 0.143 0.000 1.157 261 T HN 0.982 nan 8.240 nan 0.000 0.550 262 D N 0.087 120.634 120.400 0.245 0.000 2.848 262 D HA -0.147 4.497 4.640 0.008 0.000 0.245 262 D C 0.434 176.747 176.300 0.021 0.000 1.122 262 D CA 0.866 54.928 54.000 0.104 0.000 0.769 262 D CB -1.358 39.498 40.800 0.094 0.000 1.025 262 D HN 0.789 nan 8.370 nan 0.000 0.423 263 I N -1.704 118.822 120.570 -0.074 0.000 3.891 263 I HA 0.508 4.683 4.170 0.008 0.000 0.331 263 I C 1.348 177.306 176.117 -0.267 0.000 1.406 263 I CA 0.150 61.364 61.300 -0.144 0.000 1.139 263 I CB 0.436 38.352 38.000 -0.139 0.000 1.056 263 I HN 0.366 nan 8.210 nan 0.000 0.399 264 G N 2.064 110.669 108.800 -0.325 0.000 2.645 264 G HA2 -0.314 3.651 3.960 0.008 0.000 0.239 264 G HA3 -0.314 3.651 3.960 0.008 0.000 0.239 264 G C -0.460 174.004 174.900 -0.727 0.000 1.331 264 G CA 0.367 45.278 45.100 -0.315 0.000 0.890 264 G HN 0.407 nan 8.290 nan 0.000 0.572 265 Y N 0.606 120.835 120.300 -0.119 0.000 2.779 265 Y HA 0.453 5.007 4.550 0.008 0.000 0.251 265 Y C 1.770 177.575 175.900 -0.158 0.000 1.145 265 Y CA 0.600 58.606 58.100 -0.157 0.000 1.201 265 Y CB 0.743 39.103 38.460 -0.166 0.000 1.281 265 Y HN 2.050 nan 8.280 nan 0.000 0.563 266 G N 1.364 110.126 108.800 -0.064 0.000 2.249 266 G HA2 -0.306 3.658 3.960 0.008 0.000 0.273 266 G HA3 -0.306 3.658 3.960 0.008 0.000 0.273 266 G C -0.018 174.863 174.900 -0.031 0.000 1.036 266 G CA 0.403 45.471 45.100 -0.054 0.000 0.824 266 G HN 0.328 nan 8.290 nan 0.000 0.504 267 L N -1.106 120.089 121.223 -0.047 0.000 2.448 267 L HA 0.539 4.883 4.340 0.008 0.000 0.258 267 L C 1.605 178.472 176.870 -0.004 0.000 1.104 267 L CA -1.218 53.571 54.840 -0.084 0.000 0.800 267 L CB 0.452 42.337 42.059 -0.290 0.000 1.241 267 L HN 0.126 nan 8.230 nan 0.000 0.472 268 R N 1.552 122.064 120.500 0.019 0.000 2.623 268 R HA 0.031 4.376 4.340 0.008 0.000 0.271 268 R C -1.571 174.774 176.300 0.076 0.000 1.043 268 R CA -1.090 55.039 56.100 0.049 0.000 1.083 268 R CB 0.202 30.533 30.300 0.052 0.000 0.974 268 R HN 0.392 nan 8.270 nan 0.000 0.436 269 P HA -0.109 nan 4.420 nan 0.000 0.230 269 P C 0.857 178.200 177.300 0.070 0.000 1.158 269 P CA 1.085 64.223 63.100 0.063 0.000 0.769 269 P CB 0.060 31.786 31.700 0.044 0.000 0.807 270 T N -4.455 110.139 114.554 0.068 0.000 2.929 270 T HA -0.161 4.193 4.350 0.008 0.000 0.271 270 T C 1.132 175.872 174.700 0.065 0.000 1.085 270 T CA 0.597 62.728 62.100 0.052 0.000 1.125 270 T CB -1.186 67.705 68.868 0.038 0.000 0.874 270 T HN 0.194 nan 8.240 nan 0.000 0.494 271 H N 2.799 121.874 119.070 0.008 0.000 2.848 271 H HA 0.129 4.690 4.556 0.007 0.000 0.341 271 H C -1.741 173.594 175.328 0.011 0.000 1.060 271 H CA -1.845 54.206 56.048 0.004 0.000 1.444 271 H CB 1.452 31.216 29.762 0.004 0.000 1.446 271 H HN -0.049 nan 8.280 nan 0.000 0.583 272 P HA -0.197 nan 4.420 nan 0.000 0.218 272 P C 1.615 178.995 177.300 0.133 0.000 1.154 272 P CA 1.391 64.454 63.100 -0.062 0.000 0.872 272 P CB 0.158 31.748 31.700 -0.184 0.000 0.790 273 L N -1.415 120.035 121.223 0.379 0.000 2.376 273 L HA -0.099 4.245 4.340 0.008 0.000 0.219 273 L C 2.253 179.260 176.870 0.229 0.000 1.133 273 L CA 1.037 56.053 54.840 0.293 0.000 0.816 273 L CB -0.607 41.618 42.059 0.277 0.000 0.933 273 L HN -0.049 nan 8.230 nan 0.000 0.449 274 E N 0.354 120.675 120.200 0.202 0.000 2.102 274 E HA -0.069 4.286 4.350 0.008 0.000 0.190 274 E C 2.073 178.722 176.600 0.082 0.000 0.971 274 E CA 0.637 57.106 56.400 0.116 0.000 0.821 274 E CB 0.031 29.791 29.700 0.100 0.000 0.777 274 E HN 0.388 nan 8.360 nan 0.000 0.460 275 K N 0.961 121.410 120.400 0.080 0.000 2.103 275 K HA -0.080 4.245 4.320 0.008 0.000 0.207 275 K C 1.984 178.616 176.600 0.052 0.000 1.048 275 K CA 1.339 57.658 56.287 0.053 0.000 0.930 275 K CB -0.121 32.402 32.500 0.038 0.000 0.716 275 K HN 0.017 nan 8.250 nan 0.000 0.444 276 A N 1.347 124.208 122.820 0.069 0.000 2.167 276 A HA 0.153 4.478 4.320 0.008 0.000 0.214 276 A C 1.055 178.678 177.584 0.066 0.000 1.151 276 A CA 0.490 52.568 52.037 0.067 0.000 0.735 276 A CB -0.198 18.851 19.000 0.082 0.000 0.802 276 A HN 0.288 nan 8.150 nan 0.000 0.467 277 A N -0.093 122.763 122.820 0.061 0.000 2.440 277 A HA 0.367 4.692 4.320 0.008 0.000 0.251 277 A C 1.194 178.798 177.584 0.033 0.000 1.089 277 A CA 0.264 52.325 52.037 0.040 0.000 0.779 277 A CB 0.295 19.305 19.000 0.016 0.000 1.022 277 A HN 0.431 nan 8.150 nan 0.000 0.492 278 K N 1.055 121.475 120.400 0.033 0.000 2.116 278 K HA -0.018 4.307 4.320 0.008 0.000 0.203 278 K C -0.098 176.519 176.600 0.028 0.000 1.052 278 K CA 1.521 57.829 56.287 0.034 0.000 0.952 278 K CB -0.027 32.499 32.500 0.043 0.000 0.729 278 K HN 0.829 nan 8.250 nan 0.000 0.446 279 N N 1.384 120.098 118.700 0.023 0.000 2.703 279 N HA 0.182 4.927 4.740 0.008 0.000 0.283 279 N C -2.822 172.688 175.510 -0.000 0.000 1.851 279 N CA -1.204 51.858 53.050 0.020 0.000 0.826 279 N CB 1.682 40.191 38.487 0.038 0.000 1.239 279 N HN 0.057 nan 8.380 nan 0.000 0.495 280 P HA 0.078 nan 4.420 nan 0.000 0.260 280 P C 1.002 178.278 177.300 -0.040 0.000 1.207 280 P CA 1.037 64.118 63.100 -0.032 0.000 0.780 280 P CB 0.532 32.226 31.700 -0.011 0.000 0.789 281 G N 2.600 111.353 108.800 -0.078 0.000 2.162 281 G HA2 -0.247 3.718 3.960 0.008 0.000 0.260 281 G HA3 -0.247 3.718 3.960 0.008 0.000 0.260 281 G C 0.252 175.124 174.900 -0.047 0.000 0.976 281 G CA 0.270 45.322 45.100 -0.080 0.000 0.655 281 G HN 0.813 nan 8.290 nan 0.000 0.533 282 S N 0.390 116.079 115.700 -0.018 0.000 2.528 282 S HA 0.494 4.969 4.470 0.008 0.000 0.277 282 S C 0.893 175.512 174.600 0.031 0.000 1.297 282 S CA 0.378 58.583 58.200 0.008 0.000 1.052 282 S CB 1.672 64.886 63.200 0.023 0.000 0.917 282 S HN 0.527 nan 8.310 nan 0.000 0.492 283 D N 1.751 122.164 120.400 0.022 0.000 2.340 283 D HA 0.176 4.821 4.640 0.008 0.000 0.217 283 D C 0.791 177.122 176.300 0.053 0.000 1.081 283 D CA -0.214 53.808 54.000 0.037 0.000 0.842 283 D CB -0.499 40.296 40.800 -0.008 0.000 0.934 283 D HN 0.731 nan 8.370 nan 0.000 0.511 284 A N 0.753 123.601 122.820 0.048 0.000 2.609 284 A HA 0.375 4.699 4.320 0.008 0.000 0.232 284 A C 0.613 178.231 177.584 0.057 0.000 1.041 284 A CA 0.622 52.686 52.037 0.044 0.000 0.753 284 A CB -0.059 18.961 19.000 0.033 0.000 0.966 284 A HN 0.584 nan 8.150 nan 0.000 0.510 285 S N 0.985 116.713 115.700 0.047 0.000 2.565 285 S HA 0.713 5.188 4.470 0.008 0.000 0.269 285 S C -1.383 173.204 174.600 -0.021 0.000 1.153 285 S CA -0.940 57.277 58.200 0.028 0.000 0.835 285 S CB 1.727 64.993 63.200 0.110 0.000 1.122 285 S HN 0.716 nan 8.310 nan 0.000 0.462 286 E N 0.612 120.775 120.200 -0.061 0.000 2.343 286 E HA 0.583 4.937 4.350 0.008 0.000 0.270 286 E C -2.985 173.540 176.600 -0.126 0.000 0.895 286 E CA -2.191 54.163 56.400 -0.077 0.000 0.767 286 E CB 1.644 31.314 29.700 -0.051 0.000 1.248 286 E HN 0.393 nan 8.360 nan 0.000 0.440 287 P HA 0.033 nan 4.420 nan 0.000 0.269 287 P C -0.355 176.873 177.300 -0.120 0.000 1.211 287 P CA 0.368 63.380 63.100 -0.146 0.000 0.781 287 P CB 0.434 32.066 31.700 -0.112 0.000 0.877 288 M N 1.158 120.682 119.600 -0.128 0.000 2.371 288 M HA 0.371 4.856 4.480 0.008 0.000 0.287 288 M C -0.658 175.619 176.300 -0.038 0.000 1.149 288 M CA -0.565 54.684 55.300 -0.084 0.000 0.929 288 M CB 1.928 34.457 32.600 -0.118 0.000 1.683 288 M HN 0.359 nan 8.290 nan 0.000 0.470 289 S N 2.860 118.565 115.700 0.009 0.000 2.585 289 S HA 0.193 4.668 4.470 0.008 0.000 0.273 289 S C 0.669 175.347 174.600 0.130 0.000 1.339 289 S CA -0.510 57.730 58.200 0.067 0.000 1.028 289 S CB 0.605 63.844 63.200 0.066 0.000 0.906 289 S HN 0.778 nan 8.310 nan 0.000 0.528 290 F N 1.594 121.597 119.950 0.089 0.000 2.126 290 F HA -0.088 4.443 4.527 0.008 0.000 0.299 290 F C 2.298 178.189 175.800 0.151 0.000 1.096 290 F CA 2.243 60.346 58.000 0.170 0.000 1.255 290 F CB -0.544 38.571 39.000 0.191 0.000 0.997 290 F HN 0.826 nan 8.300 nan 0.000 0.479 291 E N 0.501 120.725 120.200 0.040 0.000 2.085 291 E HA -0.219 4.135 4.350 0.008 0.000 0.194 291 E C 1.914 178.446 176.600 -0.113 0.000 0.994 291 E CA 1.868 58.226 56.400 -0.069 0.000 0.801 291 E CB -0.415 29.317 29.700 0.054 0.000 0.743 291 E HN 0.397 nan 8.360 nan 0.000 0.453 292 D N -0.826 119.558 120.400 -0.027 0.000 2.092 292 D HA -0.206 4.439 4.640 0.008 0.000 0.193 292 D C 1.691 178.008 176.300 0.028 0.000 0.994 292 D CA 1.233 55.239 54.000 0.010 0.000 0.828 292 D CB -0.564 40.256 40.800 0.034 0.000 0.963 292 D HN 0.263 nan 8.370 nan 0.000 0.450 293 Y N 1.826 122.040 120.300 -0.143 0.000 2.114 293 Y HA -0.263 4.291 4.550 0.008 0.000 0.282 293 Y C 2.295 178.108 175.900 -0.145 0.000 1.165 293 Y CA 2.079 60.089 58.100 -0.151 0.000 1.148 293 Y CB -0.362 37.988 38.460 -0.184 0.000 0.972 293 Y HN -0.133 nan 8.280 nan 0.000 0.504 294 K N 0.020 120.128 120.400 -0.488 0.000 2.044 294 K HA -0.233 4.092 4.320 0.008 0.000 0.210 294 K C 2.243 178.681 176.600 -0.270 0.000 1.049 294 K CA 1.641 57.620 56.287 -0.512 0.000 0.927 294 K CB -0.525 31.604 32.500 -0.619 0.000 0.713 294 K HN 0.386 nan 8.250 nan 0.000 0.443 295 A N 0.528 123.247 122.820 -0.167 0.000 1.902 295 A HA -0.161 4.164 4.320 0.008 0.000 0.217 295 A C 2.064 179.605 177.584 -0.071 0.000 1.181 295 A CA 1.478 53.457 52.037 -0.096 0.000 0.623 295 A CB -0.887 18.081 19.000 -0.053 0.000 0.818 295 A HN 0.546 nan 8.150 nan 0.000 0.443 296 F N 0.994 120.844 119.950 -0.166 0.000 2.095 296 F HA -0.214 4.318 4.527 0.007 0.000 0.298 296 F C 2.292 178.052 175.800 -0.066 0.000 1.104 296 F CA 2.328 60.267 58.000 -0.100 0.000 1.232 296 F CB -0.012 38.959 39.000 -0.049 0.000 0.987 296 F HN 0.137 nan 8.300 nan 0.000 0.475 297 V N -1.409 118.562 119.914 0.095 0.000 2.871 297 V HA 0.099 4.223 4.120 0.008 0.000 0.256 297 V C 2.297 178.423 176.094 0.053 0.000 1.082 297 V CA 1.067 63.441 62.300 0.122 0.000 1.105 297 V CB -1.523 30.198 31.823 -0.170 0.000 0.713 297 V HN 0.338 nan 8.190 nan 0.000 0.473 298 A N 0.408 123.186 122.820 -0.070 0.000 1.986 298 A HA -0.205 4.120 4.320 0.008 0.000 0.220 298 A C 2.109 179.629 177.584 -0.107 0.000 1.171 298 A CA 1.943 53.934 52.037 -0.078 0.000 0.640 298 A CB -0.578 18.361 19.000 -0.100 0.000 0.811 298 A HN 0.561 nan 8.150 nan 0.000 0.451 299 E N -0.852 119.214 120.200 -0.223 0.000 2.204 299 E HA -0.129 4.225 4.350 0.008 0.000 0.195 299 E C -0.362 175.967 176.600 -0.452 0.000 0.990 299 E CA 0.650 56.802 56.400 -0.414 0.000 0.821 299 E CB -0.298 28.985 29.700 -0.695 0.000 0.750 299 E HN 0.756 nan 8.360 nan 0.000 0.477 300 Y N 1.366 121.640 120.300 -0.043 0.000 2.650 300 Y HA 0.127 4.682 4.550 0.008 0.000 0.343 300 Y C 0.443 176.425 175.900 0.137 0.000 1.078 300 Y CA -0.436 57.687 58.100 0.038 0.000 1.356 300 Y CB 0.115 38.617 38.460 0.070 0.000 1.204 300 Y HN -0.234 nan 8.280 nan 0.000 0.508 301 T N -0.637 114.012 114.554 0.159 0.000 2.875 301 T HA 0.202 4.557 4.350 0.008 0.000 0.284 301 T C 1.072 175.829 174.700 0.095 0.000 0.995 301 T CA -0.916 61.276 62.100 0.153 0.000 1.060 301 T CB 1.654 70.549 68.868 0.043 0.000 0.967 301 T HN 0.501 nan 8.240 nan 0.000 0.476 302 L N 1.762 123.050 121.223 0.108 0.000 2.030 302 L HA -0.259 4.085 4.340 0.008 0.000 0.222 302 L C 2.579 179.360 176.870 -0.147 0.000 1.082 302 L CA 2.260 56.996 54.840 -0.173 0.000 0.785 302 L CB -0.812 41.270 42.059 0.039 0.000 0.895 302 L HN 0.880 nan 8.230 nan 0.000 0.439 303 E N -0.408 119.763 120.200 -0.048 0.000 2.106 303 E HA -0.279 4.076 4.350 0.008 0.000 0.192 303 E C 2.174 178.745 176.600 -0.048 0.000 0.984 303 E CA 1.684 58.060 56.400 -0.041 0.000 0.806 303 E CB -0.565 29.125 29.700 -0.017 0.000 0.750 303 E HN 0.641 nan 8.360 nan 0.000 0.458 304 K N 0.604 120.977 120.400 -0.044 0.000 2.137 304 K HA -0.010 4.315 4.320 0.008 0.000 0.202 304 K C 2.179 178.752 176.600 -0.045 0.000 1.052 304 K CA 1.202 57.463 56.287 -0.044 0.000 0.961 304 K CB 0.062 32.532 32.500 -0.050 0.000 0.741 304 K HN 0.026 nan 8.250 nan 0.000 0.452 305 T N 1.104 115.626 114.554 -0.054 0.000 2.635 305 T HA -0.209 4.145 4.350 0.008 0.000 0.267 305 T C 1.872 176.519 174.700 -0.089 0.000 1.040 305 T CA 1.610 63.663 62.100 -0.077 0.000 1.156 305 T CB -0.420 68.307 68.868 -0.235 0.000 0.863 305 T HN 0.379 nan 8.240 nan 0.000 0.430 306 A N 1.159 123.905 122.820 -0.123 0.000 1.917 306 A HA -0.233 4.091 4.320 0.008 0.000 0.219 306 A C 2.226 179.793 177.584 -0.028 0.000 1.182 306 A CA 2.237 54.231 52.037 -0.072 0.000 0.633 306 A CB -0.680 18.276 19.000 -0.074 0.000 0.819 306 A HN 0.672 nan 8.150 nan 0.000 0.448 307 E N -0.848 119.334 120.200 -0.030 0.000 2.046 307 E HA -0.139 4.215 4.350 0.008 0.000 0.190 307 E C 2.106 178.704 176.600 -0.003 0.000 0.982 307 E CA 1.185 57.577 56.400 -0.013 0.000 0.800 307 E CB -0.180 29.508 29.700 -0.020 0.000 0.756 307 E HN 0.674 nan 8.360 nan 0.000 0.449 308 M N 0.413 119.997 119.600 -0.026 0.000 2.132 308 M HA -0.110 4.374 4.480 0.008 0.000 0.263 308 M C 2.553 178.871 176.300 0.030 0.000 1.065 308 M CA 1.976 57.252 55.300 -0.040 0.000 1.122 308 M CB -0.240 32.273 32.600 -0.146 0.000 1.365 308 M HN 0.234 nan 8.290 nan 0.000 0.411 309 T N -2.819 111.764 114.554 0.049 0.000 2.985 309 T HA 0.150 4.505 4.350 0.008 0.000 0.266 309 T C 1.547 176.331 174.700 0.139 0.000 1.076 309 T CA 0.837 63.015 62.100 0.129 0.000 1.135 309 T CB -0.458 68.481 68.868 0.118 0.000 0.890 309 T HN 0.605 nan 8.240 nan 0.000 0.480 310 G N 1.086 109.937 108.800 0.085 0.000 2.176 310 G HA2 -0.152 3.812 3.960 0.008 0.000 0.252 310 G HA3 -0.152 3.812 3.960 0.008 0.000 0.252 310 G C 0.111 175.056 174.900 0.076 0.000 1.024 310 G CA 0.350 45.496 45.100 0.076 0.000 0.755 310 G HN 1.639 nan 8.290 nan 0.000 0.507 311 V N -2.439 117.516 119.914 0.070 0.000 2.555 311 V HA 0.890 5.014 4.120 0.008 0.000 0.302 311 V C -1.778 174.334 176.094 0.029 0.000 1.038 311 V CA -2.625 59.716 62.300 0.068 0.000 0.887 311 V CB 2.020 33.907 31.823 0.105 0.000 0.991 311 V HN 0.036 nan 8.190 nan 0.000 0.434 312 P HA 0.102 nan 4.420 nan 0.000 0.269 312 P C 0.236 177.535 177.300 -0.001 0.000 1.205 312 P CA 0.144 63.255 63.100 0.017 0.000 0.780 312 P CB 0.560 32.276 31.700 0.027 0.000 0.858 313 K N 1.034 121.431 120.400 -0.005 0.000 2.121 313 K HA -0.095 4.230 4.320 0.008 0.000 0.203 313 K C 1.166 177.769 176.600 0.005 0.000 1.041 313 K CA 0.700 56.972 56.287 -0.024 0.000 0.969 313 K CB -0.306 32.187 32.500 -0.013 0.000 0.799 313 K HN 0.423 nan 8.250 nan 0.000 0.456 314 D N 0.863 121.278 120.400 0.025 0.000 1.733 314 D HA -0.345 4.300 4.640 0.008 0.000 0.626 314 D C 1.583 177.903 176.300 0.033 0.000 0.604 314 D CA 2.828 56.848 54.000 0.033 0.000 1.702 314 D CB -0.335 40.481 40.800 0.027 0.000 0.225 314 D HN 0.242 nan 8.370 nan 0.000 0.193 315 Q N -0.794 119.023 119.800 0.027 0.000 2.096 315 Q HA -0.096 4.249 4.340 0.008 0.000 0.204 315 Q C 2.613 178.628 176.000 0.025 0.000 0.982 315 Q CA 1.292 57.112 55.803 0.027 0.000 0.850 315 Q CB -0.182 28.577 28.738 0.036 0.000 0.901 315 Q HN 0.477 nan 8.270 nan 0.000 0.422 316 L N 0.678 121.911 121.223 0.017 0.000 2.051 316 L HA -0.279 4.066 4.340 0.008 0.000 0.214 316 L C 2.196 179.135 176.870 0.115 0.000 1.076 316 L CA 1.492 56.353 54.840 0.036 0.000 0.758 316 L CB -0.474 41.506 42.059 -0.132 0.000 0.890 316 L HN 0.298 nan 8.230 nan 0.000 0.433 317 E N -0.486 119.765 120.200 0.086 0.000 2.046 317 E HA -0.222 4.132 4.350 0.008 0.000 0.190 317 E C 2.229 178.805 176.600 -0.041 0.000 0.982 317 E CA 0.949 57.389 56.400 0.067 0.000 0.800 317 E CB -0.124 29.677 29.700 0.169 0.000 0.756 317 E HN 0.566 nan 8.360 nan 0.000 0.449 318 Q N 0.853 120.656 119.800 0.004 0.000 2.077 318 Q HA -0.177 4.167 4.340 0.008 0.000 0.206 318 Q C 2.392 178.365 176.000 -0.045 0.000 0.989 318 Q CA 1.169 56.966 55.803 -0.010 0.000 0.853 318 Q CB -0.219 28.521 28.738 0.005 0.000 0.907 318 Q HN 0.267 nan 8.270 nan 0.000 0.418 319 L N 0.398 121.604 121.223 -0.029 0.000 2.012 319 L HA -0.187 4.158 4.340 0.008 0.000 0.210 319 L C 2.152 179.031 176.870 0.015 0.000 1.073 319 L CA 2.035 56.866 54.840 -0.015 0.000 0.748 319 L CB -0.780 41.285 42.059 0.010 0.000 0.891 319 L HN 0.272 nan 8.230 nan 0.000 0.431 320 A N -0.852 121.913 122.820 -0.092 0.000 2.015 320 A HA -0.238 4.086 4.320 0.008 0.000 0.219 320 A C 2.051 179.432 177.584 -0.339 0.000 1.163 320 A CA 1.357 53.234 52.037 -0.266 0.000 0.646 320 A CB -0.440 18.075 19.000 -0.808 0.000 0.806 320 A HN 0.585 nan 8.150 nan 0.000 0.448 321 Q N 0.477 120.086 119.800 -0.318 0.000 2.124 321 Q HA -0.094 4.251 4.340 0.008 0.000 0.202 321 Q C 1.762 177.744 176.000 -0.030 0.000 0.977 321 Q CA 1.696 57.444 55.803 -0.091 0.000 0.850 321 Q CB -0.715 28.018 28.738 -0.009 0.000 0.901 321 Q HN 0.665 nan 8.270 nan 0.000 0.429 322 L N -0.813 120.354 121.223 -0.093 0.000 2.013 322 L HA -0.246 4.098 4.340 0.008 0.000 0.212 322 L C 2.221 178.957 176.870 -0.223 0.000 1.073 322 L CA 1.800 56.528 54.840 -0.187 0.000 0.753 322 L CB -0.759 41.111 42.059 -0.315 0.000 0.890 322 L HN 0.250 nan 8.230 nan 0.000 0.432 323 Y N -0.381 119.881 120.300 -0.064 0.000 2.200 323 Y HA -0.164 4.390 4.550 0.007 0.000 0.290 323 Y C 2.655 178.535 175.900 -0.034 0.000 1.137 323 Y CA 0.993 59.050 58.100 -0.071 0.000 1.163 323 Y CB -0.449 37.971 38.460 -0.066 0.000 0.988 323 Y HN 0.119 nan 8.280 nan 0.000 0.518 324 A N -0.387 122.535 122.820 0.170 0.000 1.898 324 A HA -0.159 4.166 4.320 0.008 0.000 0.216 324 A C 0.890 178.531 177.584 0.095 0.000 1.181 324 A CA 1.065 53.204 52.037 0.171 0.000 0.620 324 A CB -0.629 18.567 19.000 0.326 0.000 0.819 324 A HN 0.279 nan 8.150 nan 0.000 0.442 325 D N 0.372 120.810 120.400 0.062 0.000 2.389 325 D HA 0.105 4.750 4.640 0.008 0.000 0.263 325 D C -1.666 174.639 176.300 0.009 0.000 1.255 325 D CA -1.865 52.153 54.000 0.030 0.000 0.914 325 D CB 0.969 41.775 40.800 0.010 0.000 1.116 325 D HN 0.139 nan 8.370 nan 0.000 0.502 326 P HA -0.041 nan 4.420 nan 0.000 0.239 326 P C -0.035 177.265 177.300 -0.001 0.000 1.184 326 P CA 0.581 63.687 63.100 0.009 0.000 0.760 326 P CB 0.306 32.016 31.700 0.017 0.000 0.884 327 N N -0.368 118.328 118.700 -0.008 0.000 2.235 327 N HA 0.102 4.847 4.740 0.008 0.000 0.231 327 N C 0.060 175.551 175.510 -0.031 0.000 1.177 327 N CA -0.095 52.946 53.050 -0.015 0.000 0.874 327 N CB 0.984 39.466 38.487 -0.009 0.000 1.097 327 N HN 0.209 nan 8.380 nan 0.000 0.518 328 K N 1.532 121.905 120.400 -0.045 0.000 2.367 328 K HA 0.289 4.613 4.320 0.008 0.000 0.263 328 K C -0.318 176.229 176.600 -0.088 0.000 1.000 328 K CA -0.386 55.857 56.287 -0.074 0.000 0.891 328 K CB 1.816 34.259 32.500 -0.094 0.000 1.117 328 K HN -0.125 nan 8.250 nan 0.000 0.443 329 K N 2.258 122.605 120.400 -0.089 0.000 2.378 329 K HA 0.142 4.466 4.320 0.008 0.000 0.288 329 K C -0.376 176.138 176.600 -0.144 0.000 1.057 329 K CA -0.169 56.066 56.287 -0.088 0.000 0.971 329 K CB 0.799 33.251 32.500 -0.081 0.000 0.975 329 K HN 0.186 nan 8.250 nan 0.000 0.475 330 V N 5.680 125.531 119.914 -0.105 0.000 2.459 330 V HA 0.381 4.505 4.120 0.008 0.000 0.295 330 V C -0.078 176.008 176.094 -0.013 0.000 1.029 330 V CA -0.818 61.394 62.300 -0.147 0.000 0.874 330 V CB 1.533 33.219 31.823 -0.229 0.000 0.985 330 V HN 0.613 nan 8.190 nan 0.000 0.438 331 I N 3.409 123.880 120.570 -0.165 0.000 2.354 331 I HA 0.399 4.574 4.170 0.008 0.000 0.292 331 I C 0.064 176.170 176.117 -0.018 0.000 0.989 331 I CA 0.007 61.227 61.300 -0.133 0.000 1.188 331 I CB 1.886 39.669 38.000 -0.361 0.000 1.342 331 I HN 0.535 nan 8.210 nan 0.000 0.457 332 S N 5.742 121.558 115.700 0.193 0.000 2.462 332 S HA 0.549 5.024 4.470 0.008 0.000 0.294 332 S C -0.932 173.876 174.600 0.345 0.000 1.144 332 S CA -0.477 58.003 58.200 0.466 0.000 1.088 332 S CB 0.736 64.491 63.200 0.925 0.000 1.009 332 S HN 0.322 nan 8.310 nan 0.000 0.484 333 Y N 1.837 122.478 120.300 0.568 0.000 2.393 333 Y HA 0.619 5.174 4.550 0.008 0.000 0.341 333 Y C -0.375 175.813 175.900 0.480 0.000 0.988 333 Y CA -1.020 57.306 58.100 0.376 0.000 1.078 333 Y CB 1.476 40.083 38.460 0.245 0.000 1.203 333 Y HN 0.893 nan 8.280 nan 0.000 0.453 334 W N 1.579 123.075 121.300 0.327 0.000 3.118 334 W HA 0.849 5.514 4.660 0.008 0.000 0.328 334 W C -1.515 175.109 176.519 0.175 0.000 1.239 334 W CA -0.709 56.709 57.345 0.122 0.000 1.176 334 W CB 1.068 30.454 29.460 -0.122 0.000 1.433 334 W HN 0.388 nan 8.180 nan 0.000 0.562 335 T N 0.711 115.470 114.554 0.342 0.000 2.560 335 T HA 0.114 4.468 4.350 0.008 0.000 0.208 335 T C 1.117 176.038 174.700 0.368 0.000 0.757 335 T CA -0.512 61.757 62.100 0.281 0.000 1.366 335 T CB 0.058 69.072 68.868 0.243 0.000 1.689 335 T HN 0.432 nan 8.240 nan 0.000 0.447 336 M N 1.529 121.310 119.600 0.302 0.000 2.213 336 M HA 0.073 4.558 4.480 0.008 0.000 0.263 336 M C 2.463 178.977 176.300 0.356 0.000 1.062 336 M CA 1.588 57.072 55.300 0.307 0.000 1.105 336 M CB -1.951 30.793 32.600 0.240 0.000 1.385 336 M HN 0.752 nan 8.290 nan 0.000 0.417 337 G N -0.262 108.744 108.800 0.343 0.000 2.513 337 G HA2 -0.250 3.714 3.960 0.008 0.000 0.219 337 G HA3 -0.250 3.714 3.960 0.008 0.000 0.219 337 G C 1.328 176.582 174.900 0.590 0.000 1.160 337 G CA 0.730 46.066 45.100 0.393 0.000 0.767 337 G HN 0.321 nan 8.290 nan 0.000 0.571 338 F N 1.206 121.345 119.950 0.315 0.000 2.293 338 F HA 0.118 4.650 4.527 0.008 0.000 0.297 338 F C 2.344 178.214 175.800 0.117 0.000 1.089 338 F CA 0.536 58.612 58.000 0.126 0.000 1.377 338 F CB -0.405 38.538 39.000 -0.094 0.000 1.051 338 F HN 0.096 nan 8.300 nan 0.000 0.511 339 N N -0.196 118.761 118.700 0.429 0.000 2.305 339 N HA -0.047 4.697 4.740 0.008 0.000 0.179 339 N C 0.436 176.110 175.510 0.273 0.000 1.019 339 N CA 0.503 53.742 53.050 0.314 0.000 0.869 339 N CB -0.472 38.224 38.487 0.348 0.000 1.000 339 N HN 0.259 nan 8.380 nan 0.000 0.431 340 Q N 1.159 121.149 119.800 0.318 0.000 2.534 340 Q HA 0.136 4.481 4.340 0.008 0.000 0.223 340 Q C -0.862 175.306 176.000 0.279 0.000 1.239 340 Q CA 0.224 56.205 55.803 0.296 0.000 0.936 340 Q CB -0.052 28.908 28.738 0.369 0.000 1.457 340 Q HN 0.259 nan 8.270 nan 0.000 0.547 341 H N 0.229 119.342 119.070 0.071 0.000 3.153 341 H HA 0.018 4.578 4.556 0.008 0.000 0.323 341 H C 0.013 175.314 175.328 -0.045 0.000 1.096 341 H CA -0.291 55.780 56.048 0.039 0.000 1.385 341 H CB 1.051 30.855 29.762 0.071 0.000 2.027 341 H HN 0.428 nan 8.280 nan 0.000 0.499 342 T N 1.430 116.091 114.554 0.179 0.000 3.072 342 T HA 0.074 4.428 4.350 0.008 0.000 0.266 342 T C 1.055 175.704 174.700 -0.085 0.000 1.127 342 T CA 0.483 62.624 62.100 0.067 0.000 1.107 342 T CB 0.264 69.253 68.868 0.202 0.000 0.910 342 T HN 0.316 nan 8.240 nan 0.000 0.513 343 R N 0.598 121.177 120.500 0.132 0.000 2.690 343 R HA 0.391 4.736 4.340 0.008 0.000 0.419 343 R C 1.928 177.928 176.300 -0.501 0.000 1.090 343 R CA 0.059 55.937 56.100 -0.370 0.000 1.064 343 R CB -0.146 29.978 30.300 -0.293 0.000 1.391 343 R HN 0.445 nan 8.270 nan 0.000 0.586 344 G N 0.554 109.134 108.800 -0.366 0.000 2.574 344 G HA2 -0.274 3.691 3.960 0.008 0.000 0.220 344 G HA3 -0.274 3.691 3.960 0.008 0.000 0.220 344 G C 1.285 175.978 174.900 -0.345 0.000 1.173 344 G CA 1.062 45.936 45.100 -0.376 0.000 0.772 344 G HN 0.190 nan 8.290 nan 0.000 0.585 345 V N -0.680 119.074 119.914 -0.267 0.000 2.515 345 V HA -0.106 4.019 4.120 0.008 0.000 0.250 345 V C 2.538 178.542 176.094 -0.150 0.000 1.058 345 V CA 1.468 63.657 62.300 -0.185 0.000 1.064 345 V CB -0.480 31.248 31.823 -0.158 0.000 0.675 345 V HN 0.514 nan 8.190 nan 0.000 0.461 346 W N 0.293 121.361 121.300 -0.388 0.000 2.379 346 W HA -0.023 4.642 4.660 0.008 0.000 0.307 346 W C 2.723 178.909 176.519 -0.555 0.000 1.200 346 W CA 1.020 58.122 57.345 -0.405 0.000 1.297 346 W CB -1.548 27.724 29.460 -0.313 0.000 1.140 346 W HN 0.252 nan 8.180 nan 0.000 0.507 347 A N 0.778 123.281 122.820 -0.529 0.000 1.873 347 A HA -0.290 4.035 4.320 0.008 0.000 0.218 347 A C 2.064 178.982 177.584 -1.109 0.000 1.193 347 A CA 2.187 53.578 52.037 -1.078 0.000 0.629 347 A CB -1.200 16.829 19.000 -1.618 0.000 0.826 347 A HN 0.370 nan 8.150 nan 0.000 0.447 348 N N -0.186 118.025 118.700 -0.815 0.000 2.069 348 N HA -0.180 4.565 4.740 0.008 0.000 0.191 348 N C 1.686 176.846 175.510 -0.582 0.000 1.031 348 N CA 1.818 54.434 53.050 -0.723 0.000 0.852 348 N CB -0.487 37.844 38.487 -0.261 0.000 1.018 348 N HN 0.681 nan 8.380 nan 0.000 0.423 349 N N 0.720 119.219 118.700 -0.336 0.000 2.104 349 N HA -0.085 4.659 4.740 0.008 0.000 0.190 349 N C 1.925 177.298 175.510 -0.227 0.000 1.024 349 N CA 0.643 53.574 53.050 -0.198 0.000 0.853 349 N CB -0.022 38.283 38.487 -0.304 0.000 1.008 349 N HN 0.161 nan 8.380 nan 0.000 0.424 350 L N 0.052 121.048 121.223 -0.379 0.000 2.027 350 L HA -0.097 4.248 4.340 0.008 0.000 0.206 350 L C 2.330 178.954 176.870 -0.409 0.000 1.074 350 L CA 0.625 55.250 54.840 -0.358 0.000 0.745 350 L CB -0.480 41.334 42.059 -0.408 0.000 0.898 350 L HN 0.086 nan 8.230 nan 0.000 0.433 351 V N -0.825 118.692 119.914 -0.662 0.000 2.546 351 V HA -0.334 3.791 4.120 0.008 0.000 0.254 351 V C 2.301 178.195 176.094 -0.333 0.000 1.076 351 V CA 1.800 63.712 62.300 -0.646 0.000 1.087 351 V CB -0.401 30.840 31.823 -0.970 0.000 0.674 351 V HN 0.352 nan 8.190 nan 0.000 0.470 352 Y N 0.707 120.909 120.300 -0.165 0.000 2.242 352 Y HA -0.100 4.455 4.550 0.008 0.000 0.291 352 Y C 2.476 178.398 175.900 0.036 0.000 1.137 352 Y CA 1.413 59.525 58.100 0.019 0.000 1.181 352 Y CB -0.818 37.630 38.460 -0.019 0.000 0.989 352 Y HN 0.368 nan 8.280 nan 0.000 0.527 353 N N 0.421 119.169 118.700 0.080 0.000 2.061 353 N HA -0.190 4.554 4.740 0.008 0.000 0.193 353 N C 1.951 177.515 175.510 0.090 0.000 1.030 353 N CA 1.539 54.623 53.050 0.057 0.000 0.856 353 N CB -0.821 37.678 38.487 0.019 0.000 1.023 353 N HN 0.330 nan 8.380 nan 0.000 0.424 354 L N 0.056 121.281 121.223 0.003 0.000 2.013 354 L HA -0.215 4.129 4.340 0.008 0.000 0.212 354 L C 2.137 179.008 176.870 0.002 0.000 1.073 354 L CA 1.546 56.331 54.840 -0.092 0.000 0.753 354 L CB -0.772 41.047 42.059 -0.400 0.000 0.890 354 L HN 0.259 nan 8.230 nan 0.000 0.432 355 H N -0.553 118.589 119.070 0.120 0.000 2.423 355 H HA -0.048 4.512 4.556 0.008 0.000 0.297 355 H C 2.214 177.587 175.328 0.075 0.000 1.075 355 H CA 1.087 57.235 56.048 0.167 0.000 1.342 355 H CB 0.039 29.966 29.762 0.276 0.000 1.395 355 H HN 0.212 nan 8.280 nan 0.000 0.530 356 L N -0.502 120.856 121.223 0.225 0.000 2.270 356 L HA -0.026 4.318 4.340 0.008 0.000 0.210 356 L C 1.846 178.907 176.870 0.319 0.000 1.104 356 L CA 0.334 55.319 54.840 0.242 0.000 0.804 356 L CB -0.152 42.032 42.059 0.208 0.000 0.937 356 L HN 0.257 nan 8.230 nan 0.000 0.450 357 L N -0.025 121.353 121.223 0.259 0.000 2.083 357 L HA -0.175 4.169 4.340 0.008 0.000 0.209 357 L C 2.526 179.478 176.870 0.138 0.000 1.083 357 L CA 1.978 56.972 54.840 0.257 0.000 0.752 357 L CB -0.630 41.525 42.059 0.159 0.000 0.899 357 L HN 0.435 nan 8.230 nan 0.000 0.433 358 T N -4.489 110.090 114.554 0.041 0.000 3.060 358 T HA 0.224 4.578 4.350 0.008 0.000 0.249 358 T C 1.444 176.056 174.700 -0.146 0.000 1.079 358 T CA 0.359 62.449 62.100 -0.017 0.000 1.013 358 T CB 0.521 69.391 68.868 0.002 0.000 0.975 358 T HN 0.423 nan 8.240 nan 0.000 0.518 359 G N 2.104 110.640 108.800 -0.440 0.000 2.187 359 G HA2 -0.302 3.663 3.960 0.008 0.000 0.261 359 G HA3 -0.302 3.663 3.960 0.008 0.000 0.261 359 G C -0.028 174.584 174.900 -0.480 0.000 1.000 359 G CA 0.232 44.694 45.100 -1.063 0.000 0.718 359 G HN 0.625 nan 8.290 nan 0.000 0.519 360 K N 0.125 120.425 120.400 -0.166 0.000 2.183 360 K HA 0.677 5.001 4.320 0.008 0.000 0.272 360 K C 0.044 176.787 176.600 0.238 0.000 1.113 360 K CA -0.075 56.244 56.287 0.053 0.000 0.949 360 K CB 0.725 33.272 32.500 0.079 0.000 1.365 360 K HN 0.451 nan 8.250 nan 0.000 0.420 361 I N -0.340 120.334 120.570 0.174 0.000 2.842 361 I HA -0.018 4.156 4.170 0.008 0.000 0.296 361 I C -0.720 175.598 176.117 0.335 0.000 1.538 361 I CA -0.283 61.183 61.300 0.276 0.000 0.994 361 I CB 2.188 40.378 38.000 0.317 0.000 1.372 361 I HN 0.529 nan 8.210 nan 0.000 0.478 362 S N 2.809 118.722 115.700 0.356 0.000 3.533 362 S HA -0.173 4.301 4.470 0.008 0.000 0.347 362 S C -0.384 174.298 174.600 0.137 0.000 1.101 362 S CA 0.735 59.151 58.200 0.360 0.000 1.009 362 S CB -1.194 62.277 63.200 0.452 0.000 0.916 362 S HN 0.565 nan 8.310 nan 0.000 0.496 363 Q N -0.528 119.256 119.800 -0.027 0.000 2.394 363 Q HA 0.462 4.806 4.340 0.008 0.000 0.273 363 Q C -2.919 172.740 176.000 -0.568 0.000 1.089 363 Q CA -2.406 53.178 55.803 -0.364 0.000 0.812 363 Q CB 1.182 29.848 28.738 -0.121 0.000 1.353 363 Q HN -0.008 nan 8.270 nan 0.000 0.438 364 P HA 0.014 nan 4.420 nan 0.000 0.258 364 P C 0.655 177.886 177.300 -0.116 0.000 1.187 364 P CA 1.418 64.225 63.100 -0.488 0.000 0.767 364 P CB 0.163 31.544 31.700 -0.532 0.000 0.770 365 G N 2.078 110.917 108.800 0.064 0.000 2.199 365 G HA2 -0.247 3.717 3.960 0.008 0.000 0.254 365 G HA3 -0.247 3.717 3.960 0.008 0.000 0.254 365 G C 0.061 174.952 174.900 -0.015 0.000 0.982 365 G CA -0.042 45.069 45.100 0.018 0.000 0.632 365 G HN 0.729 nan 8.290 nan 0.000 0.529 366 C N 1.125 120.444 119.300 0.032 0.000 2.407 366 C HA 0.854 5.319 4.460 0.008 0.000 0.328 366 C C 0.557 175.648 174.990 0.170 0.000 1.137 366 C CA 0.963 60.022 59.018 0.067 0.000 1.390 366 C CB 0.255 28.015 27.740 0.035 0.000 1.989 366 C HN 1.929 nan 8.230 nan 0.000 0.432 367 G N 6.190 115.125 108.800 0.224 0.000 2.328 367 G HA2 0.403 4.368 3.960 0.008 0.000 0.299 367 G HA3 0.403 4.368 3.960 0.008 0.000 0.299 367 G C -3.590 171.294 174.900 -0.026 0.000 1.435 367 G CA -0.540 44.677 45.100 0.196 0.000 0.865 367 G HN 0.389 nan 8.290 nan 0.000 0.601 368 P HA 0.524 nan 4.420 nan 0.000 0.286 368 P C -1.374 176.034 177.300 0.180 0.000 1.269 368 P CA -0.337 62.734 63.100 -0.048 0.000 0.787 368 P CB 1.188 32.927 31.700 0.065 0.000 0.920 369 F N 2.328 122.191 119.950 -0.146 0.000 2.532 369 F HA 0.243 4.774 4.527 0.007 0.000 0.365 369 F C 0.520 175.879 175.800 -0.735 0.000 1.112 369 F CA -0.609 57.252 58.000 -0.233 0.000 1.082 369 F CB 1.075 40.043 39.000 -0.052 0.000 1.319 369 F HN 0.174 nan 8.300 nan 0.000 0.457 370 S N 6.465 121.473 115.700 -1.153 0.000 2.506 370 S HA 0.287 4.762 4.470 0.008 0.000 0.291 370 S C -0.092 174.224 174.600 -0.473 0.000 1.230 370 S CA -0.422 57.045 58.200 -1.221 0.000 1.107 370 S CB -0.268 62.721 63.200 -0.352 0.000 0.942 370 S HN 0.585 nan 8.310 nan 0.000 0.502 371 L N 5.138 126.198 121.223 -0.272 0.000 2.349 371 L HA 0.298 4.643 4.340 0.008 0.000 0.275 371 L C 0.821 177.742 176.870 0.086 0.000 1.115 371 L CA -0.373 54.468 54.840 0.001 0.000 0.820 371 L CB 1.001 42.949 42.059 -0.185 0.000 1.135 371 L HN 0.541 nan 8.230 nan 0.000 0.445 372 T N 1.911 116.586 114.554 0.201 0.000 2.799 372 T HA 0.229 4.583 4.350 0.008 0.000 0.286 372 T C 1.033 175.969 174.700 0.393 0.000 0.973 372 T CA -0.128 62.132 62.100 0.267 0.000 1.035 372 T CB 1.733 70.744 68.868 0.238 0.000 0.932 372 T HN 0.834 nan 8.240 nan 0.000 0.469 373 G N 1.934 110.938 108.800 0.340 0.000 2.404 373 G HA2 -0.025 3.939 3.960 0.008 0.000 0.213 373 G HA3 -0.025 3.939 3.960 0.008 0.000 0.213 373 G C 0.521 175.649 174.900 0.380 0.000 1.189 373 G CA 0.263 45.561 45.100 0.330 0.000 0.796 373 G HN 0.608 nan 8.290 nan 0.000 0.532 374 Q N 0.602 120.612 119.800 0.349 0.000 2.340 374 Q HA 0.150 4.495 4.340 0.008 0.000 0.249 374 Q C -1.347 174.759 176.000 0.177 0.000 0.957 374 Q CA -1.720 54.304 55.803 0.369 0.000 0.882 374 Q CB 1.786 30.687 28.738 0.271 0.000 1.235 374 Q HN 0.127 nan 8.270 nan 0.000 0.439 375 P HA -0.120 nan 4.420 nan 0.000 0.218 375 P C 0.515 177.658 177.300 -0.262 0.000 1.149 375 P CA 1.215 64.172 63.100 -0.237 0.000 0.817 375 P CB 0.400 31.703 31.700 -0.661 0.000 0.785 376 S N -2.257 113.280 115.700 -0.272 0.000 2.901 376 S HA 0.529 5.003 4.470 0.008 0.000 0.248 376 S C 1.236 175.880 174.600 0.073 0.000 1.021 376 S CA 0.056 58.234 58.200 -0.037 0.000 1.090 376 S CB -0.514 62.728 63.200 0.070 0.000 1.039 376 S HN 0.042 nan 8.310 nan 0.000 0.514 377 A N 0.194 123.072 122.820 0.098 0.000 1.877 377 A HA -0.064 4.260 4.320 0.008 0.000 0.216 377 A C 2.236 179.934 177.584 0.190 0.000 1.186 377 A CA 1.718 53.843 52.037 0.146 0.000 0.620 377 A CB -1.251 17.853 19.000 0.173 0.000 0.822 377 A HN 0.710 nan 8.150 nan 0.000 0.443 378 C N -1.118 118.298 119.300 0.193 0.000 2.418 378 C HA -0.038 4.427 4.460 0.008 0.000 0.280 378 C C 3.031 178.159 174.990 0.230 0.000 1.223 378 C CA 0.992 60.140 59.018 0.215 0.000 1.736 378 C CB -1.644 26.227 27.740 0.219 0.000 2.056 378 C HN 0.692 nan 8.230 nan 0.000 0.459 379 G N -0.954 107.983 108.800 0.228 0.000 2.421 379 G HA2 -0.048 3.916 3.960 0.008 0.000 0.217 379 G HA3 -0.048 3.916 3.960 0.008 0.000 0.217 379 G C 1.574 176.576 174.900 0.171 0.000 1.143 379 G CA 1.614 46.853 45.100 0.231 0.000 0.784 379 G HN 0.559 nan 8.290 nan 0.000 0.541 380 T N 1.025 115.674 114.554 0.158 0.000 3.115 380 T HA 0.335 4.689 4.350 0.008 0.000 0.235 380 T C 2.831 177.612 174.700 0.135 0.000 0.999 380 T CA 0.882 63.058 62.100 0.126 0.000 1.276 380 T CB -0.596 68.380 68.868 0.181 0.000 0.967 380 T HN 0.229 nan 8.240 nan 0.000 0.420 381 A N 1.969 124.872 122.820 0.138 0.000 1.865 381 A HA -0.167 4.157 4.320 0.008 0.000 0.217 381 A C 2.358 180.151 177.584 0.349 0.000 1.191 381 A CA 1.800 53.900 52.037 0.105 0.000 0.623 381 A CB -0.543 18.466 19.000 0.016 0.000 0.826 381 A HN 0.407 nan 8.150 nan 0.000 0.444 382 R N -0.843 119.870 120.500 0.355 0.000 2.066 382 R HA 0.004 4.348 4.340 0.008 0.000 0.224 382 R C 2.199 178.606 176.300 0.178 0.000 1.122 382 R CA 1.421 57.714 56.100 0.322 0.000 0.974 382 R CB -0.251 30.193 30.300 0.240 0.000 0.871 382 R HN 0.651 nan 8.270 nan 0.000 0.435 383 E N 0.098 120.387 120.200 0.150 0.000 2.112 383 E HA -0.079 4.275 4.350 0.008 0.000 0.190 383 E C 1.933 178.632 176.600 0.164 0.000 0.979 383 E CA 0.878 57.327 56.400 0.082 0.000 0.814 383 E CB 0.209 29.947 29.700 0.064 0.000 0.762 383 E HN 0.037 nan 8.360 nan 0.000 0.460 384 V N 0.043 120.034 119.914 0.130 0.000 2.453 384 V HA -0.038 4.087 4.120 0.008 0.000 0.247 384 V C 1.344 177.518 176.094 0.134 0.000 1.048 384 V CA 1.308 63.642 62.300 0.058 0.000 1.049 384 V CB -0.565 31.188 31.823 -0.117 0.000 0.672 384 V HN 0.531 nan 8.190 nan 0.000 0.457 385 G N 1.298 110.195 108.800 0.161 0.000 2.467 385 G HA2 -0.194 3.770 3.960 0.008 0.000 0.242 385 G HA3 -0.194 3.770 3.960 0.008 0.000 0.242 385 G C 0.304 175.331 174.900 0.211 0.000 1.127 385 G CA 0.212 45.436 45.100 0.207 0.000 0.924 385 G HN 0.744 nan 8.290 nan 0.000 0.499 386 T N -1.443 113.194 114.554 0.139 0.000 3.843 386 T HA 0.652 5.006 4.350 0.008 0.000 0.227 386 T C 0.114 174.658 174.700 -0.261 0.000 1.043 386 T CA -0.403 61.678 62.100 -0.032 0.000 1.012 386 T CB -0.573 68.281 68.868 -0.023 0.000 1.279 386 T HN 0.412 nan 8.240 nan 0.000 0.730 387 F N -0.411 119.546 119.950 0.013 0.000 2.588 387 F HA 0.664 5.196 4.527 0.008 0.000 0.314 387 F C 1.410 177.259 175.800 0.082 0.000 1.069 387 F CA -1.503 56.528 58.000 0.052 0.000 0.931 387 F CB 1.287 40.302 39.000 0.026 0.000 1.260 387 F HN 0.187 nan 8.300 nan 0.000 0.465 388 A N 0.426 123.480 122.820 0.390 0.000 2.084 388 A HA -0.195 4.130 4.320 0.008 0.000 0.221 388 A C 1.477 179.254 177.584 0.322 0.000 1.161 388 A CA 2.102 54.330 52.037 0.318 0.000 0.653 388 A CB -1.098 18.090 19.000 0.313 0.000 0.802 388 A HN 0.799 nan 8.150 nan 0.000 0.457 389 H N -2.644 116.554 119.070 0.215 0.000 2.592 389 H HA 0.369 4.930 4.556 0.007 0.000 0.279 389 H C 0.008 175.417 175.328 0.135 0.000 1.089 389 H CA -0.363 55.776 56.048 0.150 0.000 1.150 389 H CB 0.015 29.846 29.762 0.114 0.000 1.575 389 H HN 0.173 nan 8.280 nan 0.000 0.547 390 R N 0.901 121.327 120.500 -0.123 0.000 2.778 390 R HA 0.610 4.955 4.340 0.008 0.000 0.277 390 R C -0.635 175.656 176.300 -0.015 0.000 0.977 390 R CA -0.827 55.175 56.100 -0.164 0.000 0.950 390 R CB 2.653 32.819 30.300 -0.223 0.000 1.165 390 R HN 0.147 nan 8.270 nan 0.000 0.474 391 L N 1.899 123.089 121.223 -0.055 0.000 2.309 391 L HA 0.524 4.868 4.340 0.008 0.000 0.261 391 L C -2.201 174.580 176.870 -0.148 0.000 1.021 391 L CA -2.372 52.421 54.840 -0.079 0.000 0.823 391 L CB 2.578 44.548 42.059 -0.149 0.000 1.366 391 L HN 0.255 nan 8.230 nan 0.000 0.423 392 P HA -0.050 nan 4.420 nan 0.000 0.270 392 P C -0.307 176.820 177.300 -0.289 0.000 1.216 392 P CA 0.400 63.418 63.100 -0.137 0.000 0.788 392 P CB 0.348 31.952 31.700 -0.161 0.000 0.883 393 A N 1.471 124.118 122.820 -0.288 0.000 2.687 393 A HA -0.228 4.097 4.320 0.008 0.000 0.299 393 A C 0.761 177.985 177.584 -0.600 0.000 1.497 393 A CA 1.127 52.801 52.037 -0.604 0.000 0.751 393 A CB -2.567 16.150 19.000 -0.472 0.000 1.048 393 A HN 0.663 nan 8.150 nan 0.000 0.464 394 D N -3.377 116.785 120.400 -0.396 0.000 3.028 394 D HA -0.196 4.449 4.640 0.008 0.000 0.207 394 D C 0.335 176.542 176.300 -0.155 0.000 1.100 394 D CA 1.958 55.838 54.000 -0.199 0.000 0.995 394 D CB -1.614 39.143 40.800 -0.072 0.000 1.108 394 D HN 0.889 nan 8.370 nan 0.000 0.421 395 M N 0.187 119.627 119.600 -0.266 0.000 2.241 395 M HA 0.282 4.767 4.480 0.008 0.000 0.335 395 M C 0.702 176.991 176.300 -0.019 0.000 1.122 395 M CA -0.232 54.894 55.300 -0.289 0.000 1.164 395 M CB 1.449 33.720 32.600 -0.547 0.000 1.459 395 M HN -0.009 nan 8.290 nan 0.000 0.461 396 V N 1.087 121.150 119.914 0.248 0.000 2.680 396 V HA 0.380 4.505 4.120 0.008 0.000 0.309 396 V C 0.646 176.826 176.094 0.143 0.000 1.052 396 V CA -0.857 61.537 62.300 0.156 0.000 0.908 396 V CB 1.320 33.256 31.823 0.189 0.000 1.001 396 V HN 0.854 nan 8.190 nan 0.000 0.431 397 V N 0.167 120.141 119.914 0.101 0.000 2.688 397 V HA -0.133 3.992 4.120 0.008 0.000 0.256 397 V C 1.954 178.092 176.094 0.073 0.000 1.084 397 V CA 2.559 64.912 62.300 0.089 0.000 1.103 397 V CB -1.363 30.524 31.823 0.107 0.000 0.688 397 V HN 1.045 nan 8.190 nan 0.000 0.480 398 T N 0.606 115.207 114.554 0.078 0.000 3.085 398 T HA 0.048 4.403 4.350 0.008 0.000 0.263 398 T C 0.813 175.508 174.700 -0.008 0.000 1.127 398 T CA 0.542 62.671 62.100 0.048 0.000 1.103 398 T CB -0.658 68.253 68.868 0.071 0.000 0.921 398 T HN 0.635 nan 8.240 nan 0.000 0.510 399 N N 1.512 120.183 118.700 -0.048 0.000 2.424 399 N HA 0.122 4.867 4.740 0.008 0.000 0.271 399 N C 0.673 176.104 175.510 -0.131 0.000 0.985 399 N CA -0.120 52.818 53.050 -0.187 0.000 0.921 399 N CB 1.601 39.762 38.487 -0.543 0.000 1.149 399 N HN 0.213 nan 8.380 nan 0.000 0.492 400 E N 2.999 123.138 120.200 -0.101 0.000 2.150 400 E HA -0.136 4.219 4.350 0.008 0.000 0.193 400 E C 0.772 177.349 176.600 -0.039 0.000 0.985 400 E CA 1.136 57.505 56.400 -0.051 0.000 0.814 400 E CB 0.354 30.031 29.700 -0.038 0.000 0.752 400 E HN 0.526 nan 8.360 nan 0.000 0.466 401 K N -0.586 119.774 120.400 -0.067 0.000 2.097 401 K HA -0.130 4.195 4.320 0.008 0.000 0.205 401 K C 2.091 178.753 176.600 0.103 0.000 1.050 401 K CA 1.298 57.585 56.287 0.000 0.000 0.938 401 K CB -0.043 32.453 32.500 -0.007 0.000 0.718 401 K HN 0.197 nan 8.250 nan 0.000 0.442 402 H N 0.335 119.380 119.070 -0.041 0.000 2.293 402 H HA -0.027 4.534 4.556 0.008 0.000 0.300 402 H C 1.983 177.248 175.328 -0.105 0.000 1.082 402 H CA 1.282 57.283 56.048 -0.080 0.000 1.308 402 H CB -0.222 29.489 29.762 -0.085 0.000 1.375 402 H HN 0.090 nan 8.280 nan 0.000 0.495 403 R N 0.329 120.858 120.500 0.049 0.000 2.117 403 R HA -0.157 4.188 4.340 0.008 0.000 0.243 403 R C 1.910 178.184 176.300 -0.042 0.000 1.143 403 R CA 1.654 57.743 56.100 -0.019 0.000 0.968 403 R CB -0.184 30.112 30.300 -0.006 0.000 0.863 403 R HN 0.321 nan 8.270 nan 0.000 0.444 404 D N 0.271 120.664 120.400 -0.011 0.000 2.092 404 D HA -0.135 4.510 4.640 0.008 0.000 0.193 404 D C 1.800 178.098 176.300 -0.002 0.000 0.994 404 D CA 1.163 55.159 54.000 -0.006 0.000 0.828 404 D CB -0.081 40.728 40.800 0.014 0.000 0.963 404 D HN 0.124 nan 8.370 nan 0.000 0.450 405 I N 0.082 120.670 120.570 0.030 0.000 2.127 405 I HA -0.356 3.819 4.170 0.008 0.000 0.241 405 I C 2.371 178.515 176.117 0.045 0.000 1.075 405 I CA 0.882 62.239 61.300 0.095 0.000 1.334 405 I CB -0.251 37.832 38.000 0.138 0.000 1.040 405 I HN 0.180 nan 8.210 nan 0.000 0.405 406 C N 0.427 119.636 119.300 -0.151 0.000 2.425 406 C HA -0.127 4.338 4.460 0.008 0.000 0.277 406 C C 2.635 177.339 174.990 -0.475 0.000 1.280 406 C CA 0.693 59.375 59.018 -0.560 0.000 1.744 406 C CB -1.146 25.995 27.740 -0.999 0.000 1.989 406 C HN 0.497 nan 8.230 nan 0.000 0.491 407 E N 0.751 120.838 120.200 -0.189 0.000 2.072 407 E HA -0.164 4.190 4.350 0.008 0.000 0.191 407 E C 2.231 178.816 176.600 -0.024 0.000 0.985 407 E CA 0.980 57.351 56.400 -0.049 0.000 0.801 407 E CB -0.077 29.593 29.700 -0.049 0.000 0.750 407 E HN 0.592 nan 8.360 nan 0.000 0.452 408 K N 0.807 121.182 120.400 -0.042 0.000 2.026 408 K HA -0.132 4.193 4.320 0.008 0.000 0.208 408 K C 2.235 178.788 176.600 -0.080 0.000 1.048 408 K CA 0.844 57.106 56.287 -0.041 0.000 0.929 408 K CB -0.010 32.478 32.500 -0.020 0.000 0.713 408 K HN -0.103 nan 8.250 nan 0.000 0.439 409 K N 0.199 120.522 120.400 -0.128 0.000 2.002 409 K HA -0.145 4.179 4.320 0.008 0.000 0.209 409 K C 1.764 178.364 176.600 -0.000 0.000 1.048 409 K CA 1.234 57.378 56.287 -0.239 0.000 0.930 409 K CB -0.097 32.163 32.500 -0.400 0.000 0.714 409 K HN 0.262 nan 8.250 nan 0.000 0.438 410 W N 1.564 122.879 121.300 0.025 0.000 2.721 410 W HA 0.028 4.693 4.660 0.008 0.000 0.245 410 W C 0.389 176.883 176.519 -0.041 0.000 1.276 410 W CA 0.159 57.508 57.345 0.006 0.000 1.342 410 W CB -1.493 27.986 29.460 0.032 0.000 1.135 410 W HN 0.407 nan 8.180 nan 0.000 0.654 411 N N 1.075 119.861 118.700 0.143 0.000 2.696 411 N HA -0.224 4.521 4.740 0.008 0.000 0.256 411 N C -0.478 175.085 175.510 0.089 0.000 1.031 411 N CA 0.676 53.765 53.050 0.065 0.000 0.730 411 N CB -1.273 37.225 38.487 0.018 0.000 0.894 411 N HN 0.206 nan 8.380 nan 0.000 0.544 412 I N -3.095 117.517 120.570 0.069 0.000 2.957 412 I HA 0.703 4.878 4.170 0.008 0.000 0.310 412 I C -2.543 173.491 176.117 -0.139 0.000 1.063 412 I CA -2.538 58.744 61.300 -0.029 0.000 1.033 412 I CB 1.817 39.786 38.000 -0.053 0.000 1.230 412 I HN -0.194 nan 8.210 nan 0.000 0.447 413 P HA -0.044 nan 4.420 nan 0.000 0.266 413 P C -0.288 176.908 177.300 -0.174 0.000 1.193 413 P CA 0.141 63.115 63.100 -0.209 0.000 0.770 413 P CB 0.473 31.999 31.700 -0.289 0.000 0.836 414 S N 2.372 118.010 115.700 -0.103 0.000 2.515 414 S HA 0.332 4.807 4.470 0.008 0.000 0.285 414 S C 1.352 175.896 174.600 -0.093 0.000 1.265 414 S CA 0.965 59.118 58.200 -0.079 0.000 1.079 414 S CB -1.467 61.703 63.200 -0.048 0.000 0.877 414 S HN 0.865 nan 8.310 nan 0.000 0.493 415 G N 3.144 111.890 108.800 -0.091 0.000 2.179 415 G HA2 -0.281 3.684 3.960 0.008 0.000 0.220 415 G HA3 -0.281 3.684 3.960 0.008 0.000 0.220 415 G C 0.906 175.732 174.900 -0.122 0.000 0.990 415 G CA 0.909 45.959 45.100 -0.083 0.000 0.646 415 G HN 1.115 nan 8.290 nan 0.000 0.517 416 T N -0.248 114.184 114.554 -0.203 0.000 2.857 416 T HA 0.229 4.584 4.350 0.008 0.000 0.266 416 T C 1.521 176.136 174.700 -0.140 0.000 1.048 416 T CA 0.980 62.899 62.100 -0.303 0.000 1.139 416 T CB -0.195 68.255 68.868 -0.697 0.000 0.874 416 T HN 0.535 nan 8.240 nan 0.000 0.455 417 I N 4.115 124.654 120.570 -0.050 0.000 2.618 417 I HA 0.192 4.367 4.170 0.008 0.000 0.284 417 I C -1.874 174.269 176.117 0.043 0.000 1.146 417 I CA -2.152 59.172 61.300 0.040 0.000 1.425 417 I CB 0.710 38.752 38.000 0.070 0.000 1.383 417 I HN 0.234 nan 8.210 nan 0.000 0.562 418 P HA -0.015 nan 4.420 nan 0.000 0.267 418 P C -0.095 177.250 177.300 0.074 0.000 1.200 418 P CA -0.085 63.062 63.100 0.079 0.000 0.772 418 P CB 0.943 32.711 31.700 0.114 0.000 0.855 419 A N 2.607 125.463 122.820 0.061 0.000 2.115 419 A HA 0.027 4.352 4.320 0.008 0.000 0.211 419 A C 1.101 178.726 177.584 0.070 0.000 1.169 419 A CA 0.488 52.558 52.037 0.055 0.000 0.787 419 A CB -0.249 18.772 19.000 0.035 0.000 0.858 419 A HN 0.495 nan 8.150 nan 0.000 0.474 420 K N 1.297 121.743 120.400 0.077 0.000 2.312 420 K HA 0.362 4.687 4.320 0.008 0.000 0.287 420 K C -0.782 175.884 176.600 0.110 0.000 1.062 420 K CA -0.464 55.873 56.287 0.083 0.000 0.934 420 K CB 0.186 32.731 32.500 0.074 0.000 1.027 420 K HN 0.336 nan 8.250 nan 0.000 0.478 421 I N 4.028 124.670 120.570 0.120 0.000 2.996 421 I HA -0.188 3.986 4.170 0.008 0.000 0.310 421 I C 1.327 177.533 176.117 0.148 0.000 1.225 421 I CA 0.452 61.845 61.300 0.156 0.000 1.442 421 I CB 0.174 38.264 38.000 0.150 0.000 1.334 421 I HN 0.768 nan 8.210 nan 0.000 0.550 422 G N 6.760 115.666 108.800 0.176 0.000 2.516 422 G HA2 0.413 4.378 3.960 0.008 0.000 0.276 422 G HA3 0.413 4.378 3.960 0.008 0.000 0.276 422 G C -0.264 174.720 174.900 0.139 0.000 1.390 422 G CA -0.819 44.379 45.100 0.162 0.000 1.050 422 G HN 0.490 nan 8.290 nan 0.000 0.519 423 L N 1.091 122.378 121.223 0.107 0.000 2.281 423 L HA 0.278 4.623 4.340 0.008 0.000 0.285 423 L C 0.570 177.487 176.870 0.078 0.000 1.074 423 L CA -0.942 53.902 54.840 0.007 0.000 0.817 423 L CB 0.902 42.953 42.059 -0.012 0.000 1.168 423 L HN 0.774 nan 8.230 nan 0.000 0.434 424 H N 1.796 120.967 119.070 0.168 0.000 2.730 424 H HA 0.296 4.857 4.556 0.007 0.000 0.376 424 H C 1.111 176.556 175.328 0.196 0.000 1.299 424 H CA -0.087 56.080 56.048 0.198 0.000 1.447 424 H CB 0.445 30.311 29.762 0.174 0.000 1.493 424 H HN 0.638 nan 8.280 nan 0.000 0.619 425 A N 1.317 124.391 122.820 0.424 0.000 1.881 425 A HA -0.254 4.071 4.320 0.008 0.000 0.219 425 A C 2.403 180.136 177.584 0.249 0.000 1.215 425 A CA 2.764 55.012 52.037 0.351 0.000 0.648 425 A CB -1.350 17.844 19.000 0.324 0.000 0.832 425 A HN 0.567 nan 8.150 nan 0.000 0.455 426 V N -0.590 119.542 119.914 0.364 0.000 2.548 426 V HA -0.120 4.004 4.120 0.008 0.000 0.249 426 V C 2.978 179.131 176.094 0.098 0.000 1.055 426 V CA 1.633 64.068 62.300 0.225 0.000 1.065 426 V CB -1.015 30.937 31.823 0.215 0.000 0.681 426 V HN 0.668 nan 8.190 nan 0.000 0.462 427 A N -0.525 122.260 122.820 -0.059 0.000 1.933 427 A HA -0.286 4.038 4.320 0.008 0.000 0.218 427 A C 2.156 179.650 177.584 -0.150 0.000 1.175 427 A CA 1.867 53.722 52.037 -0.304 0.000 0.628 427 A CB -0.416 18.048 19.000 -0.893 0.000 0.814 427 A HN 0.618 nan 8.150 nan 0.000 0.444 428 Q N -0.330 119.418 119.800 -0.087 0.000 2.084 428 Q HA -0.196 4.149 4.340 0.008 0.000 0.202 428 Q C 1.516 177.427 176.000 -0.149 0.000 0.978 428 Q CA 1.432 57.179 55.803 -0.093 0.000 0.844 428 Q CB -0.284 28.454 28.738 0.000 0.000 0.898 428 Q HN 0.584 nan 8.270 nan 0.000 0.426 429 D N 0.465 120.818 120.400 -0.078 0.000 2.133 429 D HA -0.165 4.479 4.640 0.008 0.000 0.195 429 D C 1.861 178.135 176.300 -0.044 0.000 0.997 429 D CA 1.259 55.230 54.000 -0.049 0.000 0.840 429 D CB -0.093 40.695 40.800 -0.020 0.000 0.947 429 D HN 0.190 nan 8.370 nan 0.000 0.452 430 R N 0.341 120.816 120.500 -0.042 0.000 2.090 430 R HA 0.075 4.420 4.340 0.008 0.000 0.228 430 R C 2.291 178.569 176.300 -0.037 0.000 1.110 430 R CA 1.034 57.116 56.100 -0.030 0.000 0.973 430 R CB -0.135 30.152 30.300 -0.021 0.000 0.869 430 R HN 0.085 nan 8.270 nan 0.000 0.440 431 A N 0.867 123.651 122.820 -0.060 0.000 1.930 431 A HA -0.108 4.216 4.320 0.008 0.000 0.217 431 A C 1.890 179.436 177.584 -0.063 0.000 1.175 431 A CA 0.947 52.950 52.037 -0.057 0.000 0.627 431 A CB -0.287 18.675 19.000 -0.064 0.000 0.815 431 A HN 0.077 nan 8.150 nan 0.000 0.443 432 L N -0.065 121.099 121.223 -0.099 0.000 2.017 432 L HA -0.143 4.201 4.340 0.008 0.000 0.208 432 L C 2.375 179.235 176.870 -0.016 0.000 1.073 432 L CA 2.370 57.158 54.840 -0.086 0.000 0.745 432 L CB -1.147 40.850 42.059 -0.102 0.000 0.894 432 L HN 0.429 nan 8.230 nan 0.000 0.432 433 K N 0.188 120.586 120.400 -0.004 0.000 2.074 433 K HA -0.193 4.131 4.320 0.008 0.000 0.209 433 K C 1.413 178.018 176.600 0.007 0.000 1.048 433 K CA 1.717 58.011 56.287 0.011 0.000 0.926 433 K CB -0.281 32.221 32.500 0.004 0.000 0.713 433 K HN 0.243 nan 8.250 nan 0.000 0.444 434 D N -1.294 119.105 120.400 -0.002 0.000 2.340 434 D HA 0.132 4.777 4.640 0.008 0.000 0.220 434 D C 0.849 177.150 176.300 0.003 0.000 1.039 434 D CA 0.961 54.961 54.000 0.001 0.000 0.866 434 D CB 0.283 41.081 40.800 -0.003 0.000 0.913 434 D HN 0.443 nan 8.370 nan 0.000 0.523 435 G N 1.088 109.889 108.800 0.001 0.000 2.168 435 G HA2 -0.402 3.563 3.960 0.008 0.000 0.263 435 G HA3 -0.402 3.563 3.960 0.008 0.000 0.263 435 G C 1.279 176.178 174.900 -0.000 0.000 0.977 435 G CA 0.616 45.718 45.100 0.005 0.000 0.659 435 G HN 0.346 nan 8.290 nan 0.000 0.533 436 K N -0.934 119.461 120.400 -0.007 0.000 2.155 436 K HA 0.203 4.528 4.320 0.008 0.000 0.203 436 K C 1.134 177.729 176.600 -0.009 0.000 1.052 436 K CA 0.536 56.820 56.287 -0.005 0.000 0.948 436 K CB 0.187 32.684 32.500 -0.005 0.000 0.728 436 K HN 0.416 nan 8.250 nan 0.000 0.448 437 L N 1.516 122.722 121.223 -0.029 0.000 2.280 437 L HA 0.153 4.497 4.340 0.008 0.000 0.287 437 L C -0.124 176.725 176.870 -0.035 0.000 1.023 437 L CA -0.061 54.757 54.840 -0.036 0.000 0.819 437 L CB 1.084 43.088 42.059 -0.093 0.000 1.212 437 L HN 0.134 nan 8.230 nan 0.000 0.420 438 N N 1.838 120.530 118.700 -0.013 0.000 2.273 438 N HA 0.133 4.878 4.740 0.008 0.000 0.192 438 N C -0.969 174.552 175.510 0.019 0.000 1.132 438 N CA -0.072 52.980 53.050 0.003 0.000 0.887 438 N CB 1.283 39.772 38.487 0.004 0.000 1.048 438 N HN 0.211 nan 8.380 nan 0.000 0.490 439 V N 0.809 120.710 119.914 -0.022 0.000 2.531 439 V HA 0.382 4.507 4.120 0.008 0.000 0.301 439 V C -1.520 174.617 176.094 0.072 0.000 1.034 439 V CA -0.885 61.386 62.300 -0.049 0.000 0.865 439 V CB 1.635 33.219 31.823 -0.399 0.000 0.995 439 V HN 0.103 nan 8.190 nan 0.000 0.424 440 Y N 4.339 124.624 120.300 -0.025 0.000 2.307 440 Y HA 0.527 5.082 4.550 0.007 0.000 0.323 440 Y C -1.700 174.294 175.900 0.156 0.000 1.100 440 Y CA -0.676 57.443 58.100 0.032 0.000 1.140 440 Y CB 1.517 39.897 38.460 -0.134 0.000 1.159 440 Y HN 0.760 nan 8.280 nan 0.000 0.436 441 W N 7.686 128.894 121.300 -0.154 0.000 2.362 441 W HA 0.505 5.169 4.660 0.007 0.000 0.316 441 W C -1.187 175.212 176.519 -0.201 0.000 1.024 441 W CA -1.001 56.303 57.345 -0.068 0.000 1.270 441 W CB 1.526 31.150 29.460 0.272 0.000 1.273 441 W HN 0.455 nan 8.180 nan 0.000 0.424 442 T N 7.238 121.827 114.554 0.059 0.000 2.799 442 T HA 0.648 5.003 4.350 0.008 0.000 0.286 442 T C -0.255 174.497 174.700 0.087 0.000 0.973 442 T CA -0.283 61.823 62.100 0.010 0.000 1.035 442 T CB 0.181 69.119 68.868 0.116 0.000 0.932 442 T HN 0.402 nan 8.240 nan 0.000 0.469 443 M N 3.274 122.849 119.600 -0.041 0.000 2.213 443 M HA 0.338 4.822 4.480 0.008 0.000 0.286 443 M C 0.161 176.376 176.300 -0.141 0.000 1.008 443 M CA -0.545 54.762 55.300 0.012 0.000 0.937 443 M CB 1.574 34.263 32.600 0.148 0.000 1.600 443 M HN 0.854 nan 8.290 nan 0.000 0.450 444 C N 2.110 121.425 119.300 0.024 0.000 4.529 444 C HA -0.123 4.341 4.460 0.008 0.000 0.296 444 C C 0.437 175.401 174.990 -0.044 0.000 1.353 444 C CA 1.288 60.294 59.018 -0.020 0.000 2.011 444 C CB -2.450 25.187 27.740 -0.171 0.000 1.235 444 C HN 1.076 nan 8.230 nan 0.000 0.784 445 T N -2.056 112.536 114.554 0.062 0.000 2.894 445 T HA 0.480 4.835 4.350 0.008 0.000 0.309 445 T C -0.685 174.154 174.700 0.232 0.000 1.208 445 T CA -0.053 62.132 62.100 0.142 0.000 1.016 445 T CB 1.665 70.656 68.868 0.205 0.000 1.192 445 T HN 0.469 nan 8.240 nan 0.000 0.491 446 N N 1.159 119.999 118.700 0.233 0.000 2.813 446 N HA 0.227 4.971 4.740 0.008 0.000 0.282 446 N C 0.592 176.193 175.510 0.152 0.000 1.748 446 N CA -0.298 52.871 53.050 0.199 0.000 0.860 446 N CB 0.356 38.948 38.487 0.176 0.000 1.204 446 N HN 0.707 nan 8.380 nan 0.000 0.490 447 N N 0.840 119.651 118.700 0.185 0.000 2.453 447 N HA -0.113 4.631 4.740 0.008 0.000 0.183 447 N C 1.550 176.971 175.510 -0.149 0.000 1.041 447 N CA 0.509 53.610 53.050 0.085 0.000 0.900 447 N CB 0.221 38.752 38.487 0.072 0.000 0.961 447 N HN 0.425 nan 8.380 nan 0.000 0.443 448 M N 0.739 120.183 119.600 -0.261 0.000 2.349 448 M HA -0.051 4.433 4.480 0.008 0.000 0.266 448 M C 1.863 178.051 176.300 -0.185 0.000 1.076 448 M CA 1.351 56.420 55.300 -0.385 0.000 1.126 448 M CB -0.030 32.288 32.600 -0.471 0.000 1.392 448 M HN 0.086 nan 8.290 nan 0.000 0.440 449 Q N -1.505 118.247 119.800 -0.080 0.000 2.259 449 Q HA 0.154 4.499 4.340 0.008 0.000 0.201 449 Q C 1.692 177.677 176.000 -0.026 0.000 0.938 449 Q CA 0.914 56.704 55.803 -0.021 0.000 0.872 449 Q CB 0.085 28.852 28.738 0.047 0.000 0.971 449 Q HN 0.544 nan 8.270 nan 0.000 0.494 450 A N 0.095 122.893 122.820 -0.035 0.000 2.030 450 A HA 0.253 4.578 4.320 0.008 0.000 0.215 450 A C 1.137 178.539 177.584 -0.304 0.000 1.164 450 A CA 0.592 52.518 52.037 -0.185 0.000 0.697 450 A CB -0.270 18.691 19.000 -0.064 0.000 0.827 450 A HN 0.366 nan 8.150 nan 0.000 0.457 451 G N 1.025 109.723 108.800 -0.171 0.000 2.467 451 G HA2 0.472 4.436 3.960 0.008 0.000 0.257 451 G HA3 0.472 4.436 3.960 0.008 0.000 0.257 451 G C -2.522 172.312 174.900 -0.110 0.000 1.227 451 G CA -1.140 43.845 45.100 -0.191 0.000 0.835 451 G HN 0.183 nan 8.290 nan 0.000 0.556 452 P HA 0.027 nan 4.420 nan 0.000 0.272 452 P C 0.166 177.392 177.300 -0.124 0.000 1.230 452 P CA -0.232 62.802 63.100 -0.110 0.000 0.788 452 P CB 0.621 32.113 31.700 -0.348 0.000 0.949 453 N N 0.334 118.965 118.700 -0.116 0.000 2.725 453 N HA -0.182 4.562 4.740 0.008 0.000 0.251 453 N C 0.903 176.354 175.510 -0.099 0.000 1.031 453 N CA 0.307 53.294 53.050 -0.104 0.000 0.720 453 N CB -1.620 36.803 38.487 -0.106 0.000 0.930 453 N HN 0.389 nan 8.380 nan 0.000 0.543 454 I N -0.191 120.315 120.570 -0.106 0.000 2.143 454 I HA -0.419 3.756 4.170 0.008 0.000 0.245 454 I C 1.983 178.038 176.117 -0.104 0.000 1.068 454 I CA 1.553 62.779 61.300 -0.125 0.000 1.326 454 I CB -0.241 37.687 38.000 -0.121 0.000 1.028 454 I HN 0.376 nan 8.210 nan 0.000 0.412 455 N N 0.332 118.987 118.700 -0.076 0.000 2.244 455 N HA -0.152 4.593 4.740 0.008 0.000 0.183 455 N C 1.709 177.193 175.510 -0.044 0.000 1.016 455 N CA 1.233 54.251 53.050 -0.055 0.000 0.866 455 N CB -0.149 38.313 38.487 -0.043 0.000 0.980 455 N HN 0.526 nan 8.380 nan 0.000 0.430 456 E N 0.031 120.202 120.200 -0.048 0.000 2.122 456 E HA -0.023 4.331 4.350 0.008 0.000 0.190 456 E C 1.015 177.599 176.600 -0.027 0.000 0.977 456 E CA 0.719 57.099 56.400 -0.033 0.000 0.820 456 E CB 0.327 30.006 29.700 -0.034 0.000 0.770 456 E HN 0.369 nan 8.360 nan 0.000 0.462 457 E N -0.095 120.081 120.200 -0.039 0.000 2.756 457 E HA 0.082 4.437 4.350 0.008 0.000 0.192 457 E C 1.992 178.577 176.600 -0.025 0.000 1.022 457 E CA -0.158 56.226 56.400 -0.027 0.000 1.224 457 E CB -0.289 29.393 29.700 -0.030 0.000 1.252 457 E HN -0.054 nan 8.360 nan 0.000 0.494 458 R N 0.710 121.164 120.500 -0.078 0.000 2.082 458 R HA -0.131 4.213 4.340 0.008 0.000 0.234 458 R C 2.432 178.635 176.300 -0.161 0.000 1.136 458 R CA 2.120 58.125 56.100 -0.158 0.000 0.935 458 R CB -0.238 29.855 30.300 -0.346 0.000 0.842 458 R HN 0.023 nan 8.270 nan 0.000 0.430 459 M N 0.485 119.986 119.600 -0.165 0.000 2.073 459 M HA -0.090 4.395 4.480 0.008 0.000 0.258 459 M C -1.204 175.117 176.300 0.036 0.000 1.070 459 M CA 1.876 57.127 55.300 -0.082 0.000 1.103 459 M CB -0.709 31.845 32.600 -0.076 0.000 1.321 459 M HN 0.067 nan 8.290 nan 0.000 0.405 460 P HA 0.041 nan 4.420 nan 0.000 0.219 460 P C 1.441 178.796 177.300 0.093 0.000 1.150 460 P CA 1.744 64.876 63.100 0.053 0.000 0.814 460 P CB -0.484 31.232 31.700 0.027 0.000 0.787 461 G N -0.888 107.980 108.800 0.113 0.000 2.433 461 G HA2 -0.234 3.731 3.960 0.008 0.000 0.216 461 G HA3 -0.234 3.731 3.960 0.008 0.000 0.216 461 G C 1.099 176.139 174.900 0.234 0.000 1.186 461 G CA 0.431 45.618 45.100 0.146 0.000 0.779 461 G HN 0.169 nan 8.290 nan 0.000 0.543 462 W N 0.823 122.121 121.300 -0.002 0.000 2.364 462 W HA 0.076 4.739 4.660 0.006 0.000 0.281 462 W C 2.301 178.849 176.519 0.049 0.000 1.219 462 W CA 0.741 58.110 57.345 0.039 0.000 1.220 462 W CB 0.030 29.526 29.460 0.060 0.000 1.127 462 W HN 0.050 nan 8.180 nan 0.000 0.556 463 R N -0.031 120.625 120.500 0.260 0.000 2.334 463 R HA 0.054 4.399 4.340 0.008 0.000 0.216 463 R C -0.033 176.333 176.300 0.111 0.000 0.905 463 R CA 0.163 56.361 56.100 0.163 0.000 1.064 463 R CB -0.992 29.384 30.300 0.126 0.000 1.046 463 R HN 0.093 nan 8.270 nan 0.000 0.508 464 D N 2.055 122.519 120.400 0.107 0.000 2.351 464 D HA 0.049 4.693 4.640 0.008 0.000 0.251 464 D C -1.508 174.842 176.300 0.082 0.000 1.137 464 D CA -1.776 52.270 54.000 0.078 0.000 0.879 464 D CB 1.960 42.799 40.800 0.065 0.000 1.181 464 D HN -0.053 nan 8.370 nan 0.000 0.448 465 P HA -0.038 nan 4.420 nan 0.000 0.239 465 P C 0.705 178.061 177.300 0.093 0.000 1.184 465 P CA 0.509 63.657 63.100 0.081 0.000 0.760 465 P CB 0.228 31.957 31.700 0.049 0.000 0.884 466 R N -1.028 119.518 120.500 0.077 0.000 2.297 466 R HA 0.124 4.469 4.340 0.008 0.000 0.197 466 R C 0.152 176.502 176.300 0.084 0.000 0.943 466 R CA 0.180 56.321 56.100 0.069 0.000 1.038 466 R CB -0.107 30.219 30.300 0.044 0.000 0.957 466 R HN 0.214 nan 8.270 nan 0.000 0.484 467 N N 0.248 119.010 118.700 0.105 0.000 2.269 467 N HA 0.189 4.934 4.740 0.008 0.000 0.304 467 N C -1.645 173.975 175.510 0.183 0.000 1.072 467 N CA -0.519 52.591 53.050 0.101 0.000 0.802 467 N CB 1.571 40.079 38.487 0.034 0.000 1.348 467 N HN -0.094 nan 8.380 nan 0.000 0.484 468 F N 2.698 122.638 119.950 -0.017 0.000 2.427 468 F HA 0.530 5.061 4.527 0.007 0.000 0.348 468 F C -0.895 174.869 175.800 -0.059 0.000 1.125 468 F CA -0.903 57.077 58.000 -0.035 0.000 0.989 468 F CB 0.649 39.595 39.000 -0.091 0.000 1.165 468 F HN 0.248 nan 8.300 nan 0.000 0.442 469 I N 7.685 127.964 120.570 -0.485 0.000 2.377 469 I HA 0.393 4.568 4.170 0.008 0.000 0.293 469 I C -0.412 175.389 176.117 -0.527 0.000 0.987 469 I CA -0.690 60.335 61.300 -0.457 0.000 1.185 469 I CB 1.498 39.179 38.000 -0.531 0.000 1.341 469 I HN 0.473 nan 8.210 nan 0.000 0.455 470 I N 6.572 126.956 120.570 -0.309 0.000 2.436 470 I HA 0.444 4.618 4.170 0.008 0.000 0.289 470 I C -0.182 175.988 176.117 0.087 0.000 1.010 470 I CA -0.920 60.264 61.300 -0.192 0.000 1.098 470 I CB 2.131 39.940 38.000 -0.320 0.000 1.266 470 I HN 0.376 nan 8.210 nan 0.000 0.434 471 V N 2.341 122.326 119.914 0.119 0.000 2.604 471 V HA 0.668 4.792 4.120 0.008 0.000 0.305 471 V C -0.383 175.880 176.094 0.282 0.000 1.043 471 V CA -0.149 62.301 62.300 0.251 0.000 0.888 471 V CB 1.959 33.926 31.823 0.240 0.000 0.995 471 V HN 0.676 nan 8.190 nan 0.000 0.429 472 S N 4.714 120.645 115.700 0.385 0.000 2.433 472 S HA 0.672 5.147 4.470 0.008 0.000 0.310 472 S C -0.777 173.977 174.600 0.257 0.000 1.097 472 S CA -0.422 57.999 58.200 0.369 0.000 1.103 472 S CB 0.647 64.166 63.200 0.532 0.000 0.992 472 S HN 0.998 nan 8.310 nan 0.000 0.469 473 D N 1.913 122.428 120.400 0.191 0.000 2.654 473 D HA 0.254 4.899 4.640 0.008 0.000 0.231 473 D C -2.283 174.054 176.300 0.063 0.000 1.239 473 D CA -1.500 52.589 54.000 0.148 0.000 0.790 473 D CB 2.449 43.346 40.800 0.162 0.000 1.480 473 D HN 0.145 nan 8.370 nan 0.000 0.442 474 P HA 0.002 nan 4.420 nan 0.000 0.225 474 P C -0.178 176.902 177.300 -0.366 0.000 1.156 474 P CA 0.815 63.755 63.100 -0.266 0.000 0.787 474 P CB 0.557 31.961 31.700 -0.493 0.000 0.802 475 Y N -0.273 120.067 120.300 0.066 0.000 2.562 475 Y HA 0.432 4.986 4.550 0.006 0.000 0.343 475 Y C -1.988 173.928 175.900 0.028 0.000 1.025 475 Y CA -3.179 54.947 58.100 0.043 0.000 1.082 475 Y CB 1.553 40.045 38.460 0.053 0.000 1.264 475 Y HN -0.281 nan 8.280 nan 0.000 0.478 476 P HA 0.063 nan 4.420 nan 0.000 0.238 476 P C -0.189 177.160 177.300 0.081 0.000 1.794 476 P CA -0.213 62.930 63.100 0.071 0.000 1.088 476 P CB -0.436 31.280 31.700 0.027 0.000 1.923 477 T N -1.862 112.758 114.554 0.110 0.000 2.667 477 T HA 0.072 4.426 4.350 0.008 0.000 0.305 477 T C 1.583 176.334 174.700 0.085 0.000 1.022 477 T CA -0.538 61.625 62.100 0.105 0.000 0.995 477 T CB 0.048 68.999 68.868 0.138 0.000 1.026 477 T HN -0.058 nan 8.240 nan 0.000 0.527 478 V N 1.022 120.978 119.914 0.070 0.000 2.332 478 V HA -0.191 3.933 4.120 0.008 0.000 0.248 478 V C 3.090 179.231 176.094 0.079 0.000 1.055 478 V CA 2.428 64.761 62.300 0.055 0.000 1.038 478 V CB -1.255 30.578 31.823 0.017 0.000 0.651 478 V HN 1.019 nan 8.190 nan 0.000 0.450 479 S N -0.160 115.600 115.700 0.099 0.000 2.359 479 S HA -0.216 4.259 4.470 0.008 0.000 0.224 479 S C 2.218 177.022 174.600 0.340 0.000 1.035 479 S CA 1.556 59.871 58.200 0.191 0.000 1.018 479 S CB -0.533 62.821 63.200 0.257 0.000 0.876 479 S HN 0.672 nan 8.310 nan 0.000 0.448 480 A N 1.332 124.285 122.820 0.223 0.000 1.908 480 A HA -0.043 4.282 4.320 0.008 0.000 0.218 480 A C 2.104 179.767 177.584 0.131 0.000 1.181 480 A CA 1.254 53.376 52.037 0.142 0.000 0.627 480 A CB -0.785 18.239 19.000 0.040 0.000 0.818 480 A HN 0.474 nan 8.150 nan 0.000 0.445 481 L N -0.994 120.316 121.223 0.146 0.000 2.131 481 L HA -0.186 4.158 4.340 0.008 0.000 0.210 481 L C 2.807 179.894 176.870 0.361 0.000 1.092 481 L CA 1.034 56.021 54.840 0.244 0.000 0.759 481 L CB -0.404 41.760 42.059 0.175 0.000 0.903 481 L HN 0.449 nan 8.230 nan 0.000 0.435 482 A N -0.425 122.586 122.820 0.320 0.000 2.208 482 A HA 0.359 4.683 4.320 0.008 0.000 0.209 482 A C 1.384 179.257 177.584 0.482 0.000 1.161 482 A CA 0.605 52.864 52.037 0.370 0.000 0.782 482 A CB -0.335 18.850 19.000 0.307 0.000 0.816 482 A HN 0.312 nan 8.150 nan 0.000 0.477 483 A N -0.288 122.803 122.820 0.451 0.000 2.275 483 A HA 0.464 4.788 4.320 0.008 0.000 0.282 483 A C 0.599 178.323 177.584 0.233 0.000 1.275 483 A CA 0.352 52.550 52.037 0.268 0.000 0.842 483 A CB 0.306 19.404 19.000 0.164 0.000 1.280 483 A HN 0.251 nan 8.150 nan 0.000 0.508 484 D N -2.144 118.257 120.400 0.002 0.000 2.469 484 D HA 0.185 4.829 4.640 0.008 0.000 0.240 484 D C -0.664 175.649 176.300 0.022 0.000 1.087 484 D CA 0.333 54.322 54.000 -0.019 0.000 0.876 484 D CB 0.542 41.220 40.800 -0.204 0.000 1.160 484 D HN 0.196 nan 8.370 nan 0.000 0.497 485 L N 1.621 122.741 121.223 -0.172 0.000 2.381 485 L HA 0.458 4.803 4.340 0.008 0.000 0.274 485 L C -1.376 175.459 176.870 -0.057 0.000 0.988 485 L CA -0.634 54.161 54.840 -0.076 0.000 0.824 485 L CB 1.806 43.752 42.059 -0.189 0.000 1.263 485 L HN -0.190 nan 8.230 nan 0.000 0.410 486 I N 5.788 126.324 120.570 -0.057 0.000 2.377 486 I HA 0.421 4.596 4.170 0.008 0.000 0.293 486 I C -0.761 175.278 176.117 -0.130 0.000 0.987 486 I CA -0.570 60.669 61.300 -0.101 0.000 1.185 486 I CB 1.462 39.323 38.000 -0.231 0.000 1.341 486 I HN 0.399 nan 8.210 nan 0.000 0.455 487 L N 7.826 129.027 121.223 -0.038 0.000 2.325 487 L HA 0.498 4.842 4.340 0.008 0.000 0.281 487 L C -2.436 174.491 176.870 0.095 0.000 1.004 487 L CA -1.947 52.862 54.840 -0.051 0.000 0.823 487 L CB 1.813 43.986 42.059 0.190 0.000 1.236 487 L HN 0.291 nan 8.230 nan 0.000 0.415 488 P HA 0.158 nan 4.420 nan 0.000 0.282 488 P C -0.783 176.643 177.300 0.211 0.000 1.262 488 P CA -0.150 63.001 63.100 0.086 0.000 0.773 488 P CB 1.173 32.889 31.700 0.025 0.000 0.879 489 T N 2.155 116.791 114.554 0.135 0.000 2.807 489 T HA 0.525 4.879 4.350 0.008 0.000 0.279 489 T C 0.191 174.935 174.700 0.074 0.000 0.993 489 T CA -0.393 61.805 62.100 0.162 0.000 0.970 489 T CB 1.379 70.374 68.868 0.211 0.000 0.950 489 T HN 0.437 nan 8.240 nan 0.000 0.441 490 A N 4.685 127.545 122.820 0.067 0.000 2.540 490 A HA 0.560 4.884 4.320 0.008 0.000 0.239 490 A C 0.305 177.945 177.584 0.093 0.000 1.061 490 A CA -0.199 51.864 52.037 0.042 0.000 0.758 490 A CB -0.263 18.748 19.000 0.018 0.000 0.991 490 A HN 0.948 nan 8.150 nan 0.000 0.502 491 M N 1.764 121.415 119.600 0.085 0.000 2.619 491 M HA 0.553 5.037 4.480 0.008 0.000 0.297 491 M C 0.135 176.574 176.300 0.233 0.000 1.229 491 M CA -0.593 54.799 55.300 0.153 0.000 0.860 491 M CB 0.852 33.506 32.600 0.090 0.000 1.741 491 M HN 0.925 nan 8.290 nan 0.000 0.462 492 W N 1.842 123.174 121.300 0.053 0.000 2.493 492 W HA -0.376 4.288 4.660 0.006 0.000 0.319 492 W C 0.980 177.578 176.519 0.132 0.000 1.618 492 W CA 3.072 60.395 57.345 -0.037 0.000 1.602 492 W CB -1.660 27.646 29.460 -0.256 0.000 0.907 492 W HN 0.539 nan 8.180 nan 0.000 0.487 493 V N 1.645 121.329 119.914 -0.383 0.000 3.649 493 V HA 0.010 4.134 4.120 0.008 0.000 0.275 493 V C 1.713 177.733 176.094 -0.122 0.000 1.281 493 V CA 1.727 63.705 62.300 -0.537 0.000 1.143 493 V CB -0.334 30.711 31.823 -1.296 0.000 0.892 493 V HN 0.380 nan 8.190 nan 0.000 0.441 494 E N 1.186 121.370 120.200 -0.027 0.000 2.515 494 E HA -0.053 4.302 4.350 0.008 0.000 0.201 494 E C 0.532 177.156 176.600 0.040 0.000 1.071 494 E CA 0.290 56.693 56.400 0.005 0.000 0.880 494 E CB 0.088 29.792 29.700 0.007 0.000 0.828 494 E HN 0.693 nan 8.360 nan 0.000 0.540 495 K N -0.441 120.022 120.400 0.105 0.000 2.579 495 K HA 0.287 4.612 4.320 0.008 0.000 0.284 495 K C -1.233 175.395 176.600 0.047 0.000 0.990 495 K CA -0.915 55.423 56.287 0.084 0.000 0.880 495 K CB 1.171 33.732 32.500 0.102 0.000 1.488 495 K HN -0.178 nan 8.250 nan 0.000 0.425 496 E N 0.403 120.582 120.200 -0.035 0.000 2.344 496 E HA 0.368 4.723 4.350 0.008 0.000 0.270 496 E C -0.537 175.891 176.600 -0.287 0.000 1.021 496 E CA -0.105 56.210 56.400 -0.141 0.000 0.887 496 E CB 0.776 30.480 29.700 0.006 0.000 0.997 496 E HN 0.695 nan 8.360 nan 0.000 0.429 497 G N 1.893 110.041 108.800 -1.087 0.000 2.733 497 G HA2 0.777 4.741 3.960 0.008 0.000 0.288 497 G HA3 0.777 4.741 3.960 0.008 0.000 0.288 497 G C -1.589 172.199 174.900 -1.854 0.000 1.373 497 G CA -0.314 43.549 45.100 -2.062 0.000 0.895 497 G HN 0.683 nan 8.290 nan 0.000 0.479 498 A N -0.466 121.295 122.820 -1.765 0.000 2.532 498 A HA 0.661 4.985 4.320 0.008 0.000 0.296 498 A C -2.236 175.198 177.584 -0.250 0.000 1.058 498 A CA -0.527 50.953 52.037 -0.928 0.000 0.729 498 A CB 1.242 19.420 19.000 -1.370 0.000 1.285 498 A HN 0.724 nan 8.150 nan 0.000 0.396 499 Y N 0.199 120.584 120.300 0.142 0.000 2.512 499 Y HA 0.718 5.273 4.550 0.007 0.000 0.348 499 Y C 0.589 176.603 175.900 0.189 0.000 0.990 499 Y CA -1.070 57.166 58.100 0.226 0.000 1.033 499 Y CB 2.676 41.362 38.460 0.377 0.000 1.259 499 Y HN 1.032 nan 8.280 nan 0.000 0.461 500 G N 2.591 111.587 108.800 0.327 0.000 2.557 500 G HA2 0.423 4.388 3.960 0.008 0.000 0.310 500 G HA3 0.423 4.388 3.960 0.008 0.000 0.310 500 G C -0.599 174.444 174.900 0.237 0.000 1.328 500 G CA -0.977 44.290 45.100 0.279 0.000 0.945 500 G HN 0.753 nan 8.290 nan 0.000 0.494 501 N N 0.604 119.439 118.700 0.225 0.000 2.495 501 N HA 0.492 5.237 4.740 0.008 0.000 0.294 501 N C 1.633 177.261 175.510 0.198 0.000 1.276 501 N CA -0.208 52.971 53.050 0.216 0.000 0.973 501 N CB 1.347 39.984 38.487 0.249 0.000 1.143 501 N HN 0.282 nan 8.380 nan 0.000 0.589 502 A N -0.560 122.416 122.820 0.261 0.000 2.015 502 A HA -0.177 4.148 4.320 0.008 0.000 0.219 502 A C 1.355 179.034 177.584 0.159 0.000 1.163 502 A CA 1.426 53.615 52.037 0.253 0.000 0.646 502 A CB -0.892 18.365 19.000 0.428 0.000 0.806 502 A HN 0.889 nan 8.150 nan 0.000 0.448 503 E N -1.322 118.896 120.200 0.030 0.000 2.423 503 E HA 0.404 4.758 4.350 0.008 0.000 0.198 503 E C 0.319 176.756 176.600 -0.271 0.000 1.038 503 E CA -0.539 55.775 56.400 -0.143 0.000 1.011 503 E CB -0.139 29.144 29.700 -0.695 0.000 1.118 503 E HN 0.403 nan 8.360 nan 0.000 0.451 504 R N -0.106 120.276 120.500 -0.197 0.000 3.919 504 R HA -0.178 4.166 4.340 0.008 0.000 0.412 504 R C -0.071 176.179 176.300 -0.082 0.000 1.102 504 R CA 0.885 56.788 56.100 -0.328 0.000 1.082 504 R CB -1.740 27.953 30.300 -1.011 0.000 1.671 504 R HN 0.337 nan 8.270 nan 0.000 0.540 505 R N 1.746 122.257 120.500 0.019 0.000 2.196 505 R HA 0.193 4.538 4.340 0.008 0.000 0.340 505 R C -0.743 175.686 176.300 0.215 0.000 1.043 505 R CA -0.031 56.129 56.100 0.100 0.000 0.883 505 R CB 0.857 31.185 30.300 0.048 0.000 1.078 505 R HN -0.055 nan 8.270 nan 0.000 0.462 506 T N 4.683 119.404 114.554 0.279 0.000 2.817 506 T HA 0.177 4.531 4.350 0.008 0.000 0.293 506 T C -0.322 174.487 174.700 0.182 0.000 0.964 506 T CA -0.283 61.930 62.100 0.188 0.000 1.085 506 T CB 1.203 70.013 68.868 -0.097 0.000 0.921 506 T HN 0.560 nan 8.240 nan 0.000 0.502 507 Q N 2.031 121.973 119.800 0.237 0.000 2.290 507 Q HA 0.410 4.755 4.340 0.008 0.000 0.269 507 Q C -1.079 175.168 176.000 0.411 0.000 1.016 507 Q CA -0.689 55.291 55.803 0.295 0.000 0.754 507 Q CB 1.432 30.360 28.738 0.317 0.000 1.247 507 Q HN 0.472 nan 8.270 nan 0.000 0.451 508 F N 1.739 121.676 119.950 -0.022 0.000 2.378 508 F HA 0.516 5.048 4.527 0.008 0.000 0.319 508 F C 0.006 175.906 175.800 0.166 0.000 1.155 508 F CA -1.123 56.777 58.000 -0.167 0.000 1.157 508 F CB 0.640 39.287 39.000 -0.588 0.000 1.252 508 F HN 0.503 nan 8.300 nan 0.000 0.550 509 W N 1.284 122.660 121.300 0.126 0.000 3.138 509 W HA 0.717 5.382 4.660 0.007 0.000 0.331 509 W C -1.388 175.246 176.519 0.192 0.000 1.166 509 W CA -1.330 56.090 57.345 0.125 0.000 1.212 509 W CB 0.737 30.183 29.460 -0.024 0.000 1.399 509 W HN 0.393 nan 8.180 nan 0.000 0.514 510 R N 2.058 122.759 120.500 0.335 0.000 2.560 510 R HA 0.201 4.545 4.340 0.008 0.000 0.270 510 R C 0.126 176.503 176.300 0.128 0.000 1.074 510 R CA -0.867 55.329 56.100 0.160 0.000 1.140 510 R CB 0.935 31.264 30.300 0.048 0.000 1.073 510 R HN 0.681 nan 8.270 nan 0.000 0.527 511 Q N 1.385 121.209 119.800 0.040 0.000 2.311 511 Q HA -0.066 4.279 4.340 0.008 0.000 0.272 511 Q C 0.145 176.140 176.000 -0.009 0.000 1.012 511 Q CA 0.323 56.141 55.803 0.025 0.000 0.891 511 Q CB 0.804 29.533 28.738 -0.014 0.000 1.201 511 Q HN 0.517 nan 8.270 nan 0.000 0.391 512 Q N 2.100 121.877 119.800 -0.038 0.000 2.431 512 Q HA 0.142 4.486 4.340 0.008 0.000 0.244 512 Q C 0.678 176.639 176.000 -0.065 0.000 0.880 512 Q CA 0.480 56.243 55.803 -0.067 0.000 0.954 512 Q CB 0.885 29.551 28.738 -0.120 0.000 1.105 512 Q HN 0.579 nan 8.270 nan 0.000 0.558 513 V N -2.044 117.835 119.914 -0.058 0.000 3.119 513 V HA 0.572 4.697 4.120 0.008 0.000 0.311 513 V C -1.347 174.731 176.094 -0.026 0.000 1.259 513 V CA -1.073 61.208 62.300 -0.032 0.000 1.067 513 V CB 2.104 33.929 31.823 0.003 0.000 1.123 513 V HN 0.017 nan 8.190 nan 0.000 0.463 514 Q N 0.460 120.252 119.800 -0.013 0.000 2.394 514 Q HA 0.779 5.124 4.340 0.008 0.000 0.273 514 Q C -0.462 175.532 176.000 -0.009 0.000 1.089 514 Q CA -0.634 55.156 55.803 -0.023 0.000 0.812 514 Q CB 2.386 31.103 28.738 -0.034 0.000 1.353 514 Q HN 1.239 nan 8.270 nan 0.000 0.438 515 A N 2.714 125.516 122.820 -0.029 0.000 2.407 515 A HA 0.449 4.773 4.320 0.008 0.000 0.248 515 A C -2.053 175.524 177.584 -0.012 0.000 1.082 515 A CA -0.913 51.108 52.037 -0.025 0.000 0.785 515 A CB -0.445 18.527 19.000 -0.046 0.000 1.020 515 A HN 0.433 nan 8.150 nan 0.000 0.489 516 P HA 0.281 nan 4.420 nan 0.000 0.268 516 P C 1.030 178.332 177.300 0.004 0.000 1.208 516 P CA 1.155 64.266 63.100 0.019 0.000 0.777 516 P CB 0.171 31.891 31.700 0.032 0.000 0.875 517 G N 2.851 111.656 108.800 0.008 0.000 2.627 517 G HA2 -0.330 3.634 3.960 0.008 0.000 0.312 517 G HA3 -0.330 3.634 3.960 0.008 0.000 0.312 517 G C 0.413 175.318 174.900 0.010 0.000 1.299 517 G CA 0.573 45.679 45.100 0.010 0.000 0.989 517 G HN 0.565 nan 8.290 nan 0.000 0.547 518 E N 1.471 121.698 120.200 0.045 0.000 2.368 518 E HA 0.535 4.889 4.350 0.008 0.000 0.188 518 E C 1.212 177.898 176.600 0.143 0.000 1.061 518 E CA 0.315 56.776 56.400 0.102 0.000 0.933 518 E CB 0.160 30.004 29.700 0.241 0.000 1.091 518 E HN 0.856 nan 8.360 nan 0.000 0.458 519 A N 1.704 124.559 122.820 0.058 0.000 2.565 519 A HA 0.093 4.418 4.320 0.008 0.000 0.237 519 A C 0.207 177.744 177.584 -0.078 0.000 1.053 519 A CA 0.326 52.398 52.037 0.059 0.000 0.755 519 A CB 0.311 19.317 19.000 0.010 0.000 0.980 519 A HN -0.065 nan 8.150 nan 0.000 0.506 520 K N 1.131 121.492 120.400 -0.065 0.000 2.443 520 K HA 0.499 4.824 4.320 0.008 0.000 0.251 520 K C -0.072 176.515 176.600 -0.021 0.000 0.972 520 K CA -0.458 55.622 56.287 -0.345 0.000 0.833 520 K CB 1.919 33.770 32.500 -1.081 0.000 1.317 520 K HN 0.843 nan 8.250 nan 0.000 0.441 521 S N -0.300 115.409 115.700 0.016 0.000 2.601 521 S HA 0.123 4.598 4.470 0.008 0.000 0.271 521 S C 0.380 175.120 174.600 0.234 0.000 1.305 521 S CA -0.110 58.174 58.200 0.139 0.000 1.022 521 S CB 0.717 63.988 63.200 0.119 0.000 0.940 521 S HN 0.453 nan 8.310 nan 0.000 0.525 522 D N 0.981 121.510 120.400 0.214 0.000 2.149 522 D HA -0.150 4.494 4.640 0.008 0.000 0.194 522 D C 1.682 178.016 176.300 0.057 0.000 1.001 522 D CA 1.361 55.465 54.000 0.173 0.000 0.849 522 D CB -0.320 40.573 40.800 0.155 0.000 0.939 522 D HN 0.439 nan 8.370 nan 0.000 0.449 523 L N -0.662 120.581 121.223 0.032 0.000 2.017 523 L HA -0.088 4.257 4.340 0.008 0.000 0.208 523 L C 1.971 178.856 176.870 0.025 0.000 1.073 523 L CA 1.606 56.434 54.840 -0.019 0.000 0.745 523 L CB -0.568 41.521 42.059 0.049 0.000 0.894 523 L HN 0.282 nan 8.230 nan 0.000 0.432 524 W N 0.334 121.590 121.300 -0.074 0.000 2.354 524 W HA -0.247 4.419 4.660 0.009 0.000 0.315 524 W C 2.561 179.073 176.519 -0.012 0.000 1.206 524 W CA 2.058 59.350 57.345 -0.089 0.000 1.290 524 W CB -0.264 29.118 29.460 -0.129 0.000 1.152 524 W HN 0.230 nan 8.180 nan 0.000 0.489 525 Q N 0.106 120.191 119.800 0.474 0.000 2.062 525 Q HA -0.298 4.046 4.340 0.008 0.000 0.209 525 Q C 2.255 178.478 176.000 0.372 0.000 0.996 525 Q CA 2.555 58.672 55.803 0.522 0.000 0.859 525 Q CB -0.866 28.313 28.738 0.734 0.000 0.920 525 Q HN 0.424 nan 8.270 nan 0.000 0.415 526 L N -0.446 120.884 121.223 0.179 0.000 2.072 526 L HA -0.151 4.194 4.340 0.008 0.000 0.205 526 L C 2.335 179.151 176.870 -0.089 0.000 1.079 526 L CA 0.633 55.524 54.840 0.086 0.000 0.752 526 L CB -0.279 41.699 42.059 -0.135 0.000 0.906 526 L HN 0.079 nan 8.230 nan 0.000 0.436 527 V N -1.108 118.618 119.914 -0.314 0.000 2.379 527 V HA -0.197 3.928 4.120 0.008 0.000 0.245 527 V C 2.511 178.420 176.094 -0.308 0.000 1.044 527 V CA 1.190 63.214 62.300 -0.458 0.000 1.036 527 V CB -0.456 31.041 31.823 -0.542 0.000 0.664 527 V HN 0.406 nan 8.190 nan 0.000 0.453 528 Q N -0.694 118.782 119.800 -0.541 0.000 2.096 528 Q HA -0.193 4.151 4.340 0.008 0.000 0.204 528 Q C 2.110 177.714 176.000 -0.659 0.000 0.982 528 Q CA 1.752 57.117 55.803 -0.729 0.000 0.850 528 Q CB -0.630 27.416 28.738 -1.153 0.000 0.901 528 Q HN 0.634 nan 8.270 nan 0.000 0.422 529 F N 1.834 121.334 119.950 -0.750 0.000 2.216 529 F HA -0.199 4.333 4.527 0.008 0.000 0.300 529 F C 2.386 178.053 175.800 -0.222 0.000 1.085 529 F CA 1.493 59.073 58.000 -0.700 0.000 1.326 529 F CB -0.383 38.484 39.000 -0.221 0.000 1.027 529 F HN 0.127 nan 8.300 nan 0.000 0.497 530 S N 1.276 116.925 115.700 -0.085 0.000 2.419 530 S HA -0.267 4.208 4.470 0.008 0.000 0.235 530 S C 2.093 176.676 174.600 -0.029 0.000 1.019 530 S CA 1.100 59.285 58.200 -0.024 0.000 0.982 530 S CB -0.935 62.378 63.200 0.188 0.000 0.789 530 S HN 0.685 nan 8.310 nan 0.000 0.490 531 R N 0.347 120.767 120.500 -0.133 0.000 2.307 531 R HA 0.181 4.525 4.340 0.008 0.000 0.199 531 R C 1.200 177.352 176.300 -0.247 0.000 1.000 531 R CA 0.153 56.164 56.100 -0.148 0.000 1.023 531 R CB -0.275 29.867 30.300 -0.264 0.000 0.908 531 R HN 0.177 nan 8.270 nan 0.000 0.473 532 R N 0.624 120.887 120.500 -0.395 0.000 2.323 532 R HA 0.149 4.494 4.340 0.008 0.000 0.198 532 R C -0.605 175.208 176.300 -0.812 0.000 0.988 532 R CA 0.261 55.975 56.100 -0.644 0.000 1.041 532 R CB -0.256 29.461 30.300 -0.971 0.000 0.926 532 R HN 0.161 nan 8.270 nan 0.000 0.476 533 F N 0.630 120.388 119.950 -0.320 0.000 2.507 533 F HA 0.345 4.876 4.527 0.007 0.000 0.328 533 F C 0.547 176.205 175.800 -0.236 0.000 1.136 533 F CA -1.112 56.736 58.000 -0.252 0.000 0.930 533 F CB 1.426 40.293 39.000 -0.221 0.000 1.166 533 F HN -0.477 nan 8.300 nan 0.000 0.436 534 K N 0.964 121.323 120.400 -0.068 0.000 2.202 534 K HA 0.196 4.521 4.320 0.008 0.000 0.264 534 K C 1.294 177.776 176.600 -0.197 0.000 1.010 534 K CA 0.204 56.417 56.287 -0.124 0.000 0.940 534 K CB 1.196 33.634 32.500 -0.103 0.000 0.983 534 K HN 0.809 nan 8.250 nan 0.000 0.475 535 T N -1.003 113.358 114.554 -0.321 0.000 2.746 535 T HA -0.147 4.208 4.350 0.008 0.000 0.267 535 T C 1.199 175.746 174.700 -0.254 0.000 1.039 535 T CA 1.197 62.971 62.100 -0.542 0.000 1.142 535 T CB -0.092 68.385 68.868 -0.652 0.000 0.866 535 T HN 0.493 nan 8.240 nan 0.000 0.444 536 E N 1.648 121.783 120.200 -0.109 0.000 2.273 536 E HA -0.114 4.241 4.350 0.008 0.000 0.198 536 E C 2.072 178.672 176.600 -0.001 0.000 1.002 536 E CA 1.289 57.679 56.400 -0.018 0.000 0.828 536 E CB -0.337 29.355 29.700 -0.014 0.000 0.747 536 E HN 0.745 nan 8.360 nan 0.000 0.491 537 E N -0.681 119.504 120.200 -0.024 0.000 2.442 537 E HA -0.024 4.330 4.350 0.008 0.000 0.195 537 E C 1.539 178.186 176.600 0.080 0.000 1.030 537 E CA 0.815 57.235 56.400 0.033 0.000 0.869 537 E CB 0.563 30.290 29.700 0.045 0.000 0.857 537 E HN 0.322 nan 8.360 nan 0.000 0.505 538 V N -3.584 116.349 119.914 0.031 0.000 3.371 538 V HA 0.233 4.358 4.120 0.008 0.000 0.246 538 V C -0.001 176.264 176.094 0.286 0.000 1.303 538 V CA -0.546 61.816 62.300 0.103 0.000 1.156 538 V CB 0.138 31.975 31.823 0.023 0.000 0.929 538 V HN 0.035 nan 8.190 nan 0.000 0.459 539 W N 1.918 123.249 121.300 0.052 0.000 2.433 539 W HA 0.698 5.362 4.660 0.008 0.000 0.315 539 W C -2.685 173.855 176.519 0.035 0.000 1.087 539 W CA -3.359 54.009 57.345 0.039 0.000 1.205 539 W CB -0.102 29.373 29.460 0.024 0.000 1.288 539 W HN 0.056 nan 8.180 nan 0.000 0.504 540 P HA -0.072 nan 4.420 nan 0.000 0.265 540 P C 1.048 178.430 177.300 0.136 0.000 1.193 540 P CA 0.264 63.451 63.100 0.145 0.000 0.765 540 P CB 0.932 32.689 31.700 0.096 0.000 0.823 541 E N 3.505 123.767 120.200 0.103 0.000 2.164 541 E HA -0.320 4.035 4.350 0.008 0.000 0.206 541 E C 1.178 177.821 176.600 0.072 0.000 1.032 541 E CA 2.426 58.877 56.400 0.084 0.000 0.832 541 E CB -0.566 29.169 29.700 0.058 0.000 0.742 541 E HN 0.569 nan 8.360 nan 0.000 0.460 542 D N -0.634 119.800 120.400 0.056 0.000 2.347 542 D HA -0.109 4.535 4.640 0.008 0.000 0.215 542 D C 2.024 178.339 176.300 0.026 0.000 0.976 542 D CA 0.419 54.441 54.000 0.037 0.000 0.884 542 D CB -0.370 40.446 40.800 0.026 0.000 0.915 542 D HN 0.401 nan 8.370 nan 0.000 0.526 543 L N -0.216 121.028 121.223 0.034 0.000 2.127 543 L HA 0.074 4.419 4.340 0.008 0.000 0.203 543 L C 2.673 179.573 176.870 0.050 0.000 1.080 543 L CA 0.249 55.087 54.840 -0.004 0.000 0.768 543 L CB -0.150 41.865 42.059 -0.073 0.000 0.924 543 L HN 0.001 nan 8.230 nan 0.000 0.444 544 L N -0.209 121.098 121.223 0.141 0.000 2.079 544 L HA -0.217 4.127 4.340 0.008 0.000 0.210 544 L C 2.692 179.619 176.870 0.095 0.000 1.081 544 L CA 1.243 56.188 54.840 0.174 0.000 0.752 544 L CB -0.550 41.613 42.059 0.173 0.000 0.896 544 L HN 0.271 nan 8.230 nan 0.000 0.433 545 A N -0.397 122.462 122.820 0.065 0.000 2.178 545 A HA -0.200 4.125 4.320 0.008 0.000 0.218 545 A C 2.163 179.765 177.584 0.029 0.000 1.157 545 A CA 1.362 53.423 52.037 0.041 0.000 0.689 545 A CB -0.300 18.720 19.000 0.032 0.000 0.787 545 A HN 0.386 nan 8.150 nan 0.000 0.465 546 K N -0.905 119.510 120.400 0.025 0.000 2.305 546 K HA 0.055 4.380 4.320 0.008 0.000 0.199 546 K C -0.138 176.471 176.600 0.015 0.000 1.047 546 K CA 0.786 57.078 56.287 0.009 0.000 0.976 546 K CB 0.169 32.662 32.500 -0.012 0.000 0.765 546 K HN 0.261 nan 8.250 nan 0.000 0.474 547 K N 0.288 120.710 120.400 0.037 0.000 2.950 547 K HA 0.157 4.481 4.320 0.008 0.000 0.199 547 K C -2.557 174.080 176.600 0.063 0.000 1.144 547 K CA -1.101 55.213 56.287 0.045 0.000 0.983 547 K CB 1.837 34.369 32.500 0.054 0.000 1.187 547 K HN -0.214 nan 8.250 nan 0.000 0.595 548 P HA -0.220 nan 4.420 nan 0.000 0.228 548 P C 0.971 178.292 177.300 0.035 0.000 1.151 548 P CA 0.857 63.983 63.100 0.042 0.000 0.770 548 P CB 0.278 31.994 31.700 0.027 0.000 0.786 549 E N 0.514 120.733 120.200 0.031 0.000 2.347 549 E HA -0.115 4.240 4.350 0.008 0.000 0.196 549 E C 1.252 177.865 176.600 0.021 0.000 1.008 549 E CA 0.872 57.282 56.400 0.018 0.000 0.852 549 E CB -0.930 28.775 29.700 0.009 0.000 0.783 549 E HN 0.326 nan 8.360 nan 0.000 0.505 550 L N 0.942 122.195 121.223 0.051 0.000 2.629 550 L HA 0.214 4.558 4.340 0.008 0.000 0.230 550 L C 0.919 177.798 176.870 0.015 0.000 1.151 550 L CA -0.217 54.655 54.840 0.053 0.000 0.924 550 L CB -0.077 42.081 42.059 0.166 0.000 1.137 550 L HN -0.142 nan 8.230 nan 0.000 0.457 551 R N 0.183 120.692 120.500 0.015 0.000 2.490 551 R HA 0.336 4.680 4.340 0.008 0.000 0.280 551 R C 1.142 177.423 176.300 -0.031 0.000 1.077 551 R CA 0.520 56.618 56.100 -0.003 0.000 1.065 551 R CB 0.608 30.915 30.300 0.011 0.000 1.003 551 R HN 0.219 nan 8.270 nan 0.000 0.470 552 G N 1.841 110.611 108.800 -0.050 0.000 2.179 552 G HA2 -0.312 3.652 3.960 0.008 0.000 0.257 552 G HA3 -0.312 3.652 3.960 0.008 0.000 0.257 552 G C -0.165 174.692 174.900 -0.071 0.000 1.010 552 G CA 0.217 45.282 45.100 -0.057 0.000 0.736 552 G HN 0.474 nan 8.290 nan 0.000 0.513 553 K N 0.442 120.783 120.400 -0.098 0.000 2.118 553 K HA 0.590 4.914 4.320 0.008 0.000 0.254 553 K C 0.758 177.270 176.600 -0.148 0.000 0.961 553 K CA -0.005 56.218 56.287 -0.107 0.000 0.876 553 K CB 1.469 33.907 32.500 -0.104 0.000 1.077 553 K HN 0.329 nan 8.250 nan 0.000 0.440 554 T N -1.378 113.111 114.554 -0.108 0.000 2.918 554 T HA 0.251 4.605 4.350 0.008 0.000 0.283 554 T C 1.576 176.190 174.700 -0.143 0.000 1.001 554 T CA -0.759 61.279 62.100 -0.104 0.000 1.041 554 T CB 0.561 69.410 68.868 -0.033 0.000 1.028 554 T HN 0.473 nan 8.240 nan 0.000 0.511 555 L N 0.479 121.608 121.223 -0.157 0.000 2.079 555 L HA -0.050 4.295 4.340 0.008 0.000 0.210 555 L C 2.404 179.192 176.870 -0.137 0.000 1.081 555 L CA 1.535 56.237 54.840 -0.230 0.000 0.752 555 L CB -0.842 41.045 42.059 -0.287 0.000 0.896 555 L HN 0.772 nan 8.230 nan 0.000 0.433 556 Y N 1.521 121.772 120.300 -0.082 0.000 2.040 556 Y HA -0.371 4.183 4.550 0.008 0.000 0.275 556 Y C 2.540 178.431 175.900 -0.015 0.000 1.171 556 Y CA 2.243 60.364 58.100 0.034 0.000 1.123 556 Y CB -0.264 38.187 38.460 -0.016 0.000 0.963 556 Y HN 0.228 nan 8.280 nan 0.000 0.493 557 E N -1.186 118.959 120.200 -0.092 0.000 2.150 557 E HA -0.151 4.203 4.350 0.008 0.000 0.193 557 E C 2.235 178.697 176.600 -0.230 0.000 0.985 557 E CA 1.414 57.714 56.400 -0.166 0.000 0.814 557 E CB -0.236 29.433 29.700 -0.050 0.000 0.752 557 E HN 0.365 nan 8.360 nan 0.000 0.466 558 V N 1.120 120.898 119.914 -0.226 0.000 2.535 558 V HA -0.140 3.984 4.120 0.008 0.000 0.246 558 V C 2.006 177.921 176.094 -0.297 0.000 1.045 558 V CA 1.226 63.403 62.300 -0.205 0.000 1.058 558 V CB -0.132 31.581 31.823 -0.183 0.000 0.689 558 V HN 0.232 nan 8.190 nan 0.000 0.461 559 L N -2.347 118.563 121.223 -0.521 0.000 2.357 559 L HA 0.102 4.446 4.340 0.008 0.000 0.211 559 L C 1.977 178.310 176.870 -0.894 0.000 1.075 559 L CA 1.134 55.451 54.840 -0.871 0.000 0.830 559 L CB -0.172 41.040 42.059 -1.413 0.000 0.996 559 L HN 0.329 nan 8.230 nan 0.000 0.467 560 Y N -1.141 118.951 120.300 -0.345 0.000 2.512 560 Y HA 0.375 4.930 4.550 0.008 0.000 0.268 560 Y C 1.848 177.526 175.900 -0.370 0.000 1.102 560 Y CA 0.140 58.048 58.100 -0.320 0.000 1.261 560 Y CB 0.486 38.748 38.460 -0.331 0.000 1.250 560 Y HN -0.031 nan 8.280 nan 0.000 0.506 561 A N 0.797 123.341 122.820 -0.461 0.000 2.574 561 A HA 0.232 4.557 4.320 0.008 0.000 0.283 561 A C 0.770 178.121 177.584 -0.389 0.000 1.270 561 A CA -0.023 51.730 52.037 -0.473 0.000 0.945 561 A CB -1.000 17.710 19.000 -0.484 0.000 1.127 561 A HN 0.232 nan 8.150 nan 0.000 0.522 562 T N -3.035 111.328 114.554 -0.318 0.000 2.748 562 T HA 0.255 4.609 4.350 0.008 0.000 0.304 562 T C -1.417 173.120 174.700 -0.272 0.000 1.041 562 T CA -0.743 61.211 62.100 -0.243 0.000 1.033 562 T CB 0.325 69.084 68.868 -0.181 0.000 0.995 562 T HN 0.001 nan 8.240 nan 0.000 0.536 563 P HA -0.131 nan 4.420 nan 0.000 0.216 563 P C 1.705 178.846 177.300 -0.265 0.000 1.154 563 P CA 1.054 64.016 63.100 -0.231 0.000 0.865 563 P CB 0.066 31.662 31.700 -0.173 0.000 0.789 564 E N -0.641 119.427 120.200 -0.220 0.000 2.047 564 E HA -0.095 4.260 4.350 0.008 0.000 0.191 564 E C 2.082 178.571 176.600 -0.184 0.000 0.987 564 E CA 1.057 57.334 56.400 -0.205 0.000 0.799 564 E CB -0.958 28.651 29.700 -0.152 0.000 0.752 564 E HN 0.077 nan 8.360 nan 0.000 0.449 565 V N 1.706 121.526 119.914 -0.156 0.000 2.626 565 V HA -0.152 3.972 4.120 0.008 0.000 0.252 565 V C 2.011 177.978 176.094 -0.212 0.000 1.067 565 V CA 1.771 64.024 62.300 -0.078 0.000 1.081 565 V CB -0.429 31.395 31.823 0.002 0.000 0.686 565 V HN 0.237 nan 8.190 nan 0.000 0.468 566 S N -1.605 113.775 115.700 -0.533 0.000 2.614 566 S HA 0.142 4.616 4.470 0.008 0.000 0.230 566 S C 1.438 175.769 174.600 -0.448 0.000 0.952 566 S CA -0.271 57.397 58.200 -0.887 0.000 0.949 566 S CB -0.136 62.238 63.200 -1.375 0.000 0.786 566 S HN 0.500 nan 8.310 nan 0.000 0.478 567 K N 0.581 120.715 120.400 -0.443 0.000 2.113 567 K HA -0.024 4.300 4.320 0.008 0.000 0.208 567 K C -0.522 175.758 176.600 -0.533 0.000 1.047 567 K CA 1.116 57.026 56.287 -0.629 0.000 0.928 567 K CB -0.174 31.616 32.500 -1.183 0.000 0.716 567 K HN 0.494 nan 8.250 nan 0.000 0.446 568 F N 2.117 122.061 119.950 -0.010 0.000 2.371 568 F HA 0.208 4.740 4.527 0.007 0.000 0.363 568 F C -1.942 173.942 175.800 0.140 0.000 1.122 568 F CA -2.925 55.108 58.000 0.054 0.000 1.129 568 F CB 0.802 39.804 39.000 0.004 0.000 1.173 568 F HN -0.084 nan 8.300 nan 0.000 0.489 569 P HA 0.010 nan 4.420 nan 0.000 0.271 569 P C 0.832 178.232 177.300 0.166 0.000 1.218 569 P CA -0.096 63.110 63.100 0.177 0.000 0.780 569 P CB 1.453 33.221 31.700 0.113 0.000 0.901 570 V N 1.769 121.741 119.914 0.098 0.000 2.688 570 V HA -0.238 3.886 4.120 0.008 0.000 0.256 570 V C 2.526 178.597 176.094 -0.039 0.000 1.084 570 V CA 2.474 64.767 62.300 -0.012 0.000 1.103 570 V CB -1.824 29.976 31.823 -0.039 0.000 0.688 570 V HN 0.687 nan 8.190 nan 0.000 0.480 571 S N 0.179 115.885 115.700 0.011 0.000 2.419 571 S HA -0.271 4.203 4.470 0.008 0.000 0.235 571 S C 1.728 176.333 174.600 0.008 0.000 1.019 571 S CA 1.570 59.774 58.200 0.006 0.000 0.982 571 S CB -0.518 62.698 63.200 0.026 0.000 0.789 571 S HN 0.723 nan 8.310 nan 0.000 0.490 572 E N 0.862 121.087 120.200 0.042 0.000 2.209 572 E HA 0.007 4.361 4.350 0.008 0.000 0.196 572 E C 0.146 176.748 176.600 0.003 0.000 0.993 572 E CA 0.412 56.857 56.400 0.076 0.000 0.819 572 E CB -0.336 29.486 29.700 0.203 0.000 0.745 572 E HN 0.590 nan 8.360 nan 0.000 0.477 573 L N 1.027 122.175 121.223 -0.125 0.000 2.439 573 L HA 0.121 4.466 4.340 0.008 0.000 0.269 573 L C 0.501 177.313 176.870 -0.096 0.000 1.179 573 L CA -0.704 54.025 54.840 -0.185 0.000 0.828 573 L CB 0.389 42.264 42.059 -0.307 0.000 1.106 573 L HN -0.006 nan 8.230 nan 0.000 0.467 574 A N 1.911 124.680 122.820 -0.086 0.000 2.561 574 A HA -0.043 4.281 4.320 0.008 0.000 0.234 574 A C 1.301 178.845 177.584 -0.066 0.000 1.055 574 A CA 0.014 52.014 52.037 -0.060 0.000 0.756 574 A CB 0.074 19.040 19.000 -0.056 0.000 0.986 574 A HN 0.959 nan 8.150 nan 0.000 0.505 575 E N 0.752 120.924 120.200 -0.047 0.000 2.160 575 E HA -0.233 4.121 4.350 0.008 0.000 0.195 575 E C 0.824 177.395 176.600 -0.050 0.000 0.991 575 E CA 1.677 58.050 56.400 -0.044 0.000 0.810 575 E CB 0.055 29.737 29.700 -0.030 0.000 0.742 575 E HN 0.878 nan 8.360 nan 0.000 0.466 576 D N -0.457 119.914 120.400 -0.049 0.000 2.379 576 D HA -0.087 4.557 4.640 0.008 0.000 0.208 576 D C 0.529 176.794 176.300 -0.060 0.000 1.065 576 D CA -0.198 53.773 54.000 -0.048 0.000 0.848 576 D CB -0.175 40.602 40.800 -0.038 0.000 0.949 576 D HN 0.102 nan 8.370 nan 0.000 0.509 577 Q N 0.821 120.577 119.800 -0.074 0.000 2.300 577 Q HA 0.115 4.460 4.340 0.008 0.000 0.280 577 Q C -0.453 175.489 176.000 -0.097 0.000 1.033 577 Q CA -0.475 55.274 55.803 -0.089 0.000 0.903 577 Q CB 0.716 29.383 28.738 -0.118 0.000 1.195 577 Q HN 0.074 nan 8.270 nan 0.000 0.386 578 L N 3.734 124.907 121.223 -0.084 0.000 2.417 578 L HA 0.235 4.579 4.340 0.008 0.000 0.268 578 L C -0.075 176.733 176.870 -0.103 0.000 1.158 578 L CA 0.661 55.451 54.840 -0.083 0.000 0.819 578 L CB 0.647 42.668 42.059 -0.063 0.000 1.112 578 L HN 0.880 nan 8.230 nan 0.000 0.458 579 N N 0.336 118.970 118.700 -0.109 0.000 3.304 579 N HA 0.084 4.828 4.740 0.008 0.000 0.187 579 N C -0.028 175.419 175.510 -0.104 0.000 1.482 579 N CA -0.158 52.821 53.050 -0.119 0.000 0.785 579 N CB 0.410 38.780 38.487 -0.195 0.000 1.619 579 N HN 0.456 nan 8.380 nan 0.000 0.624 580 D N 1.095 121.447 120.400 -0.080 0.000 2.103 580 D HA -0.203 4.441 4.640 0.008 0.000 0.190 580 D C 1.209 177.480 176.300 -0.049 0.000 0.997 580 D CA 1.750 55.704 54.000 -0.077 0.000 0.833 580 D CB 0.219 40.958 40.800 -0.100 0.000 0.961 580 D HN 0.612 nan 8.370 nan 0.000 0.447 581 E N 0.392 120.581 120.200 -0.018 0.000 2.038 581 E HA -0.114 4.241 4.350 0.008 0.000 0.195 581 E C 2.259 178.799 176.600 -0.099 0.000 1.000 581 E CA 1.295 57.710 56.400 0.025 0.000 0.803 581 E CB -0.324 29.392 29.700 0.026 0.000 0.750 581 E HN 0.009 nan 8.360 nan 0.000 0.448 582 S N -0.103 115.507 115.700 -0.150 0.000 2.368 582 S HA -0.089 4.385 4.470 0.008 0.000 0.225 582 S C 1.850 176.330 174.600 -0.199 0.000 1.030 582 S CA 0.906 58.970 58.200 -0.226 0.000 0.999 582 S CB -0.111 62.971 63.200 -0.197 0.000 0.844 582 S HN 0.159 nan 8.310 nan 0.000 0.459 583 R N 0.646 121.058 120.500 -0.146 0.000 2.148 583 R HA -0.041 4.304 4.340 0.008 0.000 0.227 583 R C 2.377 178.626 176.300 -0.085 0.000 1.103 583 R CA 1.115 57.148 56.100 -0.112 0.000 0.983 583 R CB -0.124 30.118 30.300 -0.098 0.000 0.874 583 R HN 0.524 nan 8.270 nan 0.000 0.451 584 E N 0.750 120.905 120.200 -0.074 0.000 2.046 584 E HA -0.123 4.231 4.350 0.008 0.000 0.190 584 E C 1.628 178.184 176.600 -0.072 0.000 0.982 584 E CA 0.775 57.151 56.400 -0.041 0.000 0.800 584 E CB 0.122 29.837 29.700 0.026 0.000 0.756 584 E HN 0.222 nan 8.360 nan 0.000 0.449 585 L N -0.680 120.452 121.223 -0.151 0.000 2.492 585 L HA 0.218 4.563 4.340 0.008 0.000 0.223 585 L C 1.510 178.287 176.870 -0.154 0.000 1.132 585 L CA 0.528 55.251 54.840 -0.195 0.000 0.850 585 L CB 0.291 42.135 42.059 -0.359 0.000 0.966 585 L HN 0.453 nan 8.230 nan 0.000 0.454 586 G N 0.415 109.132 108.800 -0.138 0.000 2.141 586 G HA2 -0.295 3.670 3.960 0.008 0.000 0.242 586 G HA3 -0.295 3.670 3.960 0.008 0.000 0.242 586 G C 0.075 175.064 174.900 0.148 0.000 0.982 586 G CA 0.201 45.312 45.100 0.017 0.000 0.662 586 G HN 0.357 nan 8.290 nan 0.000 0.527 587 F N -3.266 116.708 119.950 0.039 0.000 2.668 587 F HA 0.614 5.146 4.527 0.008 0.000 0.309 587 F C -0.081 175.779 175.800 0.101 0.000 1.117 587 F CA -2.649 55.388 58.000 0.062 0.000 0.951 587 F CB 0.828 39.862 39.000 0.056 0.000 1.323 587 F HN 0.028 nan 8.300 nan 0.000 0.451 588 Y N 3.692 124.093 120.300 0.169 0.000 2.559 588 Y HA 0.072 4.627 4.550 0.008 0.000 0.344 588 Y C 1.391 177.303 175.900 0.019 0.000 1.257 588 Y CA -0.646 57.454 58.100 0.000 0.000 1.839 588 Y CB 0.304 38.749 38.460 -0.026 0.000 1.648 588 Y HN 0.794 nan 8.280 nan 0.000 0.445 589 L N 3.345 124.614 121.223 0.077 0.000 1.990 589 L HA -0.312 4.032 4.340 0.008 0.000 0.213 589 L C 1.982 178.764 176.870 -0.145 0.000 1.072 589 L CA 2.050 56.903 54.840 0.022 0.000 0.755 589 L CB -0.481 41.462 42.059 -0.193 0.000 0.889 589 L HN 0.563 nan 8.230 nan 0.000 0.432 590 Q N -0.328 119.234 119.800 -0.396 0.000 2.112 590 Q HA -0.283 4.061 4.340 0.008 0.000 0.206 590 Q C 2.325 177.723 176.000 -1.003 0.000 0.987 590 Q CA 2.476 57.658 55.803 -1.034 0.000 0.858 590 Q CB -0.383 27.464 28.738 -1.485 0.000 0.905 590 Q HN 0.563 nan 8.270 nan 0.000 0.420 591 K N -0.442 119.167 120.400 -1.319 0.000 2.097 591 K HA -0.090 4.234 4.320 0.008 0.000 0.205 591 K C 2.000 178.249 176.600 -0.585 0.000 1.050 591 K CA 1.337 56.593 56.287 -1.718 0.000 0.938 591 K CB -0.381 30.590 32.500 -2.549 0.000 0.718 591 K HN 0.289 nan 8.250 nan 0.000 0.442 592 G N 1.466 110.180 108.800 -0.144 0.000 2.404 592 G HA2 -0.194 3.771 3.960 0.008 0.000 0.215 592 G HA3 -0.194 3.771 3.960 0.008 0.000 0.215 592 G C 1.508 176.506 174.900 0.162 0.000 1.174 592 G CA 0.558 45.778 45.100 0.200 0.000 0.780 592 G HN 0.191 nan 8.290 nan 0.000 0.537 593 L N -0.773 120.541 121.223 0.151 0.000 2.012 593 L HA -0.069 4.275 4.340 0.008 0.000 0.210 593 L C 2.597 179.580 176.870 0.189 0.000 1.073 593 L CA 1.373 56.369 54.840 0.261 0.000 0.748 593 L CB -0.446 41.805 42.059 0.321 0.000 0.891 593 L HN 0.264 nan 8.230 nan 0.000 0.431 594 F N 0.678 120.680 119.950 0.088 0.000 2.186 594 F HA -0.185 4.347 4.527 0.008 0.000 0.299 594 F C 2.589 178.520 175.800 0.219 0.000 1.090 594 F CA 1.401 59.565 58.000 0.273 0.000 1.307 594 F CB 0.035 39.336 39.000 0.501 0.000 1.019 594 F HN 0.026 nan 8.300 nan 0.000 0.489 595 E N 0.199 120.557 120.200 0.263 0.000 2.158 595 E HA -0.187 4.167 4.350 0.008 0.000 0.191 595 E C 2.122 178.797 176.600 0.126 0.000 0.982 595 E CA 0.860 57.384 56.400 0.207 0.000 0.823 595 E CB -0.385 29.469 29.700 0.257 0.000 0.766 595 E HN 0.602 nan 8.360 nan 0.000 0.468 596 E N 0.146 120.422 120.200 0.126 0.000 2.031 596 E HA -0.216 4.139 4.350 0.008 0.000 0.193 596 E C 2.111 178.773 176.600 0.103 0.000 0.994 596 E CA 0.993 57.462 56.400 0.115 0.000 0.800 596 E CB -0.196 29.650 29.700 0.243 0.000 0.752 596 E HN 0.213 nan 8.360 nan 0.000 0.447 597 Y N 0.882 121.073 120.300 -0.182 0.000 2.128 597 Y HA -0.208 4.347 4.550 0.008 0.000 0.284 597 Y C 1.985 177.846 175.900 -0.065 0.000 1.154 597 Y CA 1.751 59.708 58.100 -0.238 0.000 1.149 597 Y CB -0.767 37.094 38.460 -0.999 0.000 0.976 597 Y HN 0.081 nan 8.280 nan 0.000 0.505 598 A N -0.112 122.393 122.820 -0.524 0.000 1.978 598 A HA -0.268 4.057 4.320 0.008 0.000 0.220 598 A C 2.096 179.506 177.584 -0.291 0.000 1.170 598 A CA 1.548 53.228 52.037 -0.595 0.000 0.636 598 A CB -1.890 16.863 19.000 -0.411 0.000 0.810 598 A HN 0.853 nan 8.150 nan 0.000 0.448 599 W N -0.135 120.959 121.300 -0.342 0.000 2.341 599 W HA -0.234 4.431 4.660 0.007 0.000 0.283 599 W C 1.522 177.847 176.519 -0.324 0.000 1.215 599 W CA 1.923 59.077 57.345 -0.318 0.000 1.211 599 W CB -0.400 28.818 29.460 -0.403 0.000 1.131 599 W HN 0.356 nan 8.180 nan 0.000 0.552 600 F N -0.516 119.319 119.950 -0.193 0.000 2.113 600 F HA -0.005 4.526 4.527 0.007 0.000 0.297 600 F C 2.618 178.170 175.800 -0.413 0.000 1.103 600 F CA 1.609 59.398 58.000 -0.353 0.000 1.248 600 F CB -1.033 37.837 39.000 -0.216 0.000 0.999 600 F HN -0.076 nan 8.300 nan 0.000 0.475 601 G N -0.449 108.252 108.800 -0.164 0.000 2.683 601 G HA2 0.008 3.973 3.960 0.008 0.000 0.213 601 G HA3 0.008 3.973 3.960 0.008 0.000 0.213 601 G C 0.546 175.462 174.900 0.027 0.000 1.142 601 G CA -0.357 44.705 45.100 -0.063 0.000 0.793 601 G HN 0.066 nan 8.290 nan 0.000 0.534 602 R N 0.197 120.652 120.500 -0.074 0.000 2.421 602 R HA 0.395 4.739 4.340 0.008 0.000 0.305 602 R C 1.378 177.642 176.300 -0.059 0.000 1.039 602 R CA 0.890 56.961 56.100 -0.050 0.000 1.003 602 R CB 0.461 30.700 30.300 -0.101 0.000 0.959 602 R HN 0.242 nan 8.270 nan 0.000 0.427 603 G N 2.418 111.207 108.800 -0.019 0.000 2.184 603 G HA2 -0.308 3.657 3.960 0.008 0.000 0.264 603 G HA3 -0.308 3.657 3.960 0.008 0.000 0.264 603 G C -0.014 174.661 174.900 -0.376 0.000 0.975 603 G CA 0.384 45.393 45.100 -0.151 0.000 0.642 603 G HN 0.789 nan 8.290 nan 0.000 0.536 604 H N -1.137 117.933 119.070 0.000 0.000 2.549 604 H HA 0.471 5.032 4.556 0.008 0.000 0.253 604 H C 1.640 176.869 175.328 -0.165 0.000 1.170 604 H CA 0.267 56.282 56.048 -0.054 0.000 0.943 604 H CB 0.533 30.281 29.762 -0.023 0.000 1.849 604 H HN 1.131 nan 8.280 nan 0.000 0.603 605 G N 0.538 109.141 108.800 -0.329 0.000 2.179 605 G HA2 -0.341 3.623 3.960 0.008 0.000 0.260 605 G HA3 -0.341 3.623 3.960 0.008 0.000 0.260 605 G C 0.646 175.411 174.900 -0.225 0.000 0.977 605 G CA 0.381 45.155 45.100 -0.544 0.000 0.641 605 G HN 0.562 nan 8.290 nan 0.000 0.533 606 H N 0.759 119.821 119.070 -0.013 0.000 2.528 606 H HA 0.210 4.771 4.556 0.008 0.000 0.282 606 H C -0.146 175.060 175.328 -0.203 0.000 1.097 606 H CA -0.059 55.816 56.048 -0.289 0.000 1.121 606 H CB 0.271 29.741 29.762 -0.485 0.000 1.590 606 H HN 0.420 nan 8.280 nan 0.000 0.553 607 D N 2.075 122.572 120.400 0.162 0.000 2.455 607 D HA -0.004 4.641 4.640 0.008 0.000 0.265 607 D C 0.254 176.675 176.300 0.202 0.000 1.284 607 D CA 0.415 54.506 54.000 0.151 0.000 0.944 607 D CB 0.570 41.488 40.800 0.196 0.000 1.121 607 D HN 0.215 nan 8.370 nan 0.000 0.525 608 L N 1.967 123.263 121.223 0.122 0.000 2.371 608 L HA 0.425 4.770 4.340 0.008 0.000 0.272 608 L C 1.049 178.113 176.870 0.323 0.000 1.124 608 L CA -0.969 54.052 54.840 0.301 0.000 0.816 608 L CB 0.849 43.055 42.059 0.245 0.000 1.129 608 L HN 0.397 nan 8.230 nan 0.000 0.448 609 A N 4.326 127.365 122.820 0.365 0.000 2.429 609 A HA 0.373 4.697 4.320 0.008 0.000 0.242 609 A C -2.257 175.469 177.584 0.236 0.000 1.088 609 A CA -0.969 51.117 52.037 0.083 0.000 0.784 609 A CB -0.611 18.122 19.000 -0.446 0.000 1.038 609 A HN 0.475 nan 8.150 nan 0.000 0.501 610 P HA 0.026 nan 4.420 nan 0.000 0.265 610 P C 0.670 178.120 177.300 0.250 0.000 1.193 610 P CA -0.018 63.206 63.100 0.206 0.000 0.765 610 P CB 0.173 31.933 31.700 0.100 0.000 0.823 611 F N 3.589 123.689 119.950 0.250 0.000 2.063 611 F HA -0.365 4.166 4.527 0.007 0.000 0.297 611 F C 1.668 177.479 175.800 0.019 0.000 1.099 611 F CA 2.088 60.161 58.000 0.121 0.000 1.220 611 F CB -0.396 38.626 39.000 0.036 0.000 0.972 611 F HN 0.306 nan 8.300 nan 0.000 0.487 612 D N 0.151 120.654 120.400 0.171 0.000 2.263 612 D HA -0.156 4.489 4.640 0.008 0.000 0.208 612 D C 1.774 178.021 176.300 -0.089 0.000 0.971 612 D CA 1.376 55.437 54.000 0.101 0.000 0.867 612 D CB -0.457 40.440 40.800 0.161 0.000 0.929 612 D HN 0.454 nan 8.370 nan 0.000 0.492 613 D N -0.265 120.007 120.400 -0.213 0.000 2.149 613 D HA -0.123 4.521 4.640 0.008 0.000 0.201 613 D C 1.887 177.929 176.300 -0.430 0.000 0.972 613 D CA 0.641 54.458 54.000 -0.306 0.000 0.835 613 D CB -0.461 40.116 40.800 -0.372 0.000 0.966 613 D HN 0.391 nan 8.370 nan 0.000 0.476 614 Y N 0.278 120.193 120.300 -0.642 0.000 2.293 614 Y HA -0.126 4.429 4.550 0.008 0.000 0.291 614 Y C 2.389 177.939 175.900 -0.584 0.000 1.137 614 Y CA 0.835 58.404 58.100 -0.886 0.000 1.202 614 Y CB -0.174 37.042 38.460 -2.074 0.000 0.990 614 Y HN 0.159 nan 8.280 nan 0.000 0.537 615 H N 0.159 119.076 119.070 -0.256 0.000 2.546 615 H HA -0.015 4.545 4.556 0.007 0.000 0.277 615 H C 1.515 176.838 175.328 -0.009 0.000 1.004 615 H CA 0.883 56.920 56.048 -0.018 0.000 1.231 615 H CB 0.290 30.072 29.762 0.032 0.000 1.382 615 H HN 0.448 nan 8.280 nan 0.000 0.580 616 K N -0.055 120.373 120.400 0.047 0.000 2.190 616 K HA 0.229 4.553 4.320 0.008 0.000 0.202 616 K C 1.131 177.732 176.600 0.001 0.000 1.045 616 K CA 0.362 56.662 56.287 0.022 0.000 0.976 616 K CB 0.523 33.014 32.500 -0.015 0.000 0.849 616 K HN 0.007 nan 8.250 nan 0.000 0.468 617 A N 1.409 124.197 122.820 -0.053 0.000 2.332 617 A HA 0.229 4.553 4.320 0.008 0.000 0.258 617 A C -0.063 177.532 177.584 0.018 0.000 1.087 617 A CA -0.164 51.847 52.037 -0.043 0.000 0.802 617 A CB 0.309 19.240 19.000 -0.116 0.000 1.042 617 A HN 0.151 nan 8.150 nan 0.000 0.489 618 R N 0.606 121.126 120.500 0.033 0.000 4.609 618 R HA 0.426 4.770 4.340 0.008 0.000 0.235 618 R C 0.688 177.040 176.300 0.088 0.000 1.836 618 R CA 1.183 57.326 56.100 0.072 0.000 1.564 618 R CB -0.560 29.778 30.300 0.063 0.000 1.382 618 R HN 1.549 nan 8.270 nan 0.000 0.776 619 G N -0.114 108.747 108.800 0.102 0.000 2.690 619 G HA2 -0.171 3.793 3.960 0.008 0.000 0.686 619 G HA3 -0.171 3.793 3.960 0.008 0.000 0.686 619 G C -1.210 173.746 174.900 0.093 0.000 1.277 619 G CA -1.057 44.136 45.100 0.154 0.000 0.799 619 G HN 0.223 nan 8.290 nan 0.000 0.613 620 L N -0.017 121.308 121.223 0.170 0.000 2.472 620 L HA 0.635 4.980 4.340 0.008 0.000 0.260 620 L C 0.340 177.311 176.870 0.170 0.000 0.963 620 L CA -1.018 53.868 54.840 0.076 0.000 0.829 620 L CB 2.421 44.432 42.059 -0.080 0.000 1.348 620 L HN 0.679 nan 8.230 nan 0.000 0.408 621 R N 2.398 122.916 120.500 0.031 0.000 2.254 621 R HA 0.301 4.646 4.340 0.008 0.000 0.318 621 R C -0.639 175.655 176.300 -0.010 0.000 1.031 621 R CA -0.528 55.535 56.100 -0.061 0.000 0.905 621 R CB 0.913 31.072 30.300 -0.236 0.000 1.050 621 R HN 0.593 nan 8.270 nan 0.000 0.456 622 W N 2.739 124.076 121.300 0.061 0.000 2.129 622 W HA 0.345 5.010 4.660 0.007 0.000 0.349 622 W C -2.650 173.879 176.519 0.016 0.000 1.279 622 W CA -2.788 54.599 57.345 0.069 0.000 1.306 622 W CB -0.374 29.157 29.460 0.120 0.000 1.140 622 W HN 0.301 nan 8.180 nan 0.000 0.613 623 P HA 0.097 nan 4.420 nan 0.000 0.271 623 P C -0.329 177.107 177.300 0.227 0.000 1.220 623 P CA -0.115 63.236 63.100 0.419 0.000 0.768 623 P CB 1.052 33.008 31.700 0.426 0.000 0.848 624 V N 5.125 125.165 119.914 0.211 0.000 2.333 624 V HA 0.254 4.379 4.120 0.008 0.000 0.274 624 V C 0.234 176.366 176.094 0.063 0.000 1.028 624 V CA -0.417 61.943 62.300 0.099 0.000 0.851 624 V CB 1.351 33.219 31.823 0.075 0.000 1.000 624 V HN 0.247 nan 8.190 nan 0.000 0.456 625 V N 4.854 124.777 119.914 0.015 0.000 2.483 625 V HA 0.486 4.611 4.120 0.008 0.000 0.297 625 V C 0.178 176.246 176.094 -0.043 0.000 1.027 625 V CA -0.965 61.320 62.300 -0.025 0.000 0.855 625 V CB 1.662 33.435 31.823 -0.084 0.000 0.995 625 V HN 0.938 nan 8.190 nan 0.000 0.424 626 N N 3.882 122.557 118.700 -0.040 0.000 2.705 626 N HA -0.216 4.528 4.740 0.008 0.000 0.255 626 N C 1.245 176.733 175.510 -0.037 0.000 1.008 626 N CA 1.477 54.503 53.050 -0.039 0.000 0.742 626 N CB -1.006 37.452 38.487 -0.049 0.000 0.906 626 N HN 1.606 nan 8.380 nan 0.000 0.541 627 G N -1.009 107.768 108.800 -0.039 0.000 2.189 627 G HA2 -0.385 3.579 3.960 0.008 0.000 0.267 627 G HA3 -0.385 3.579 3.960 0.008 0.000 0.267 627 G C 0.058 174.927 174.900 -0.051 0.000 0.975 627 G CA 0.998 46.068 45.100 -0.050 0.000 0.644 627 G HN 0.653 nan 8.290 nan 0.000 0.537 628 K N 1.406 121.781 120.400 -0.042 0.000 2.293 628 K HA 0.422 4.746 4.320 0.008 0.000 0.267 628 K C 0.862 177.442 176.600 -0.034 0.000 1.010 628 K CA -0.432 55.832 56.287 -0.038 0.000 0.875 628 K CB 0.619 33.100 32.500 -0.032 0.000 1.106 628 K HN 0.560 nan 8.250 nan 0.000 0.450 629 E N 2.402 122.575 120.200 -0.045 0.000 2.392 629 E HA 0.083 4.438 4.350 0.008 0.000 0.259 629 E C -0.981 175.580 176.600 -0.066 0.000 1.108 629 E CA -0.273 56.099 56.400 -0.047 0.000 0.916 629 E CB 0.820 30.478 29.700 -0.069 0.000 0.989 629 E HN 0.239 nan 8.360 nan 0.000 0.432 630 T N 2.527 117.027 114.554 -0.090 0.000 2.770 630 T HA 0.110 4.465 4.350 0.008 0.000 0.283 630 T C 0.398 174.931 174.700 -0.277 0.000 0.988 630 T CA -0.489 61.535 62.100 -0.126 0.000 0.957 630 T CB 1.536 70.359 68.868 -0.075 0.000 0.930 630 T HN 0.540 nan 8.240 nan 0.000 0.443 631 Q N 1.996 121.569 119.800 -0.378 0.000 2.134 631 Q HA 0.114 4.459 4.340 0.008 0.000 0.195 631 Q C -0.061 175.394 176.000 -0.907 0.000 0.958 631 Q CA 0.822 56.122 55.803 -0.838 0.000 0.840 631 Q CB 0.523 28.388 28.738 -1.456 0.000 0.918 631 Q HN 0.616 nan 8.270 nan 0.000 0.467 632 W N 1.201 122.449 121.300 -0.086 0.000 2.683 632 W HA 0.474 5.139 4.660 0.008 0.000 0.329 632 W C -0.437 176.003 176.519 -0.133 0.000 1.037 632 W CA -0.834 56.459 57.345 -0.087 0.000 1.232 632 W CB 0.914 30.361 29.460 -0.022 0.000 1.390 632 W HN -0.009 nan 8.180 nan 0.000 0.465 633 R N 1.495 121.948 120.500 -0.078 0.000 2.536 633 R HA 0.399 4.743 4.340 0.008 0.000 0.279 633 R C -0.415 175.744 176.300 -0.234 0.000 1.001 633 R CA -0.408 55.491 56.100 -0.334 0.000 1.027 633 R CB 0.899 30.672 30.300 -0.878 0.000 1.096 633 R HN 0.441 nan 8.270 nan 0.000 0.502 634 Y N -2.413 117.953 120.300 0.110 0.000 4.884 634 Y HA -0.301 4.254 4.550 0.008 0.000 0.276 634 Y C -0.038 175.815 175.900 -0.078 0.000 0.915 634 Y CA 0.524 58.590 58.100 -0.057 0.000 1.768 634 Y CB -2.460 35.768 38.460 -0.387 0.000 1.172 634 Y HN 0.596 nan 8.280 nan 0.000 0.470 635 S N 0.125 115.877 115.700 0.087 0.000 2.478 635 S HA 0.521 4.995 4.470 0.008 0.000 0.312 635 S C -0.295 174.224 174.600 -0.134 0.000 1.094 635 S CA -0.810 57.305 58.200 -0.141 0.000 1.081 635 S CB 2.584 65.698 63.200 -0.143 0.000 1.007 635 S HN 0.277 nan 8.310 nan 0.000 0.475 636 E N 1.494 121.564 120.200 -0.216 0.000 2.608 636 E HA 0.256 4.611 4.350 0.008 0.000 0.259 636 E C 1.447 177.995 176.600 -0.086 0.000 0.951 636 E CA 1.430 57.758 56.400 -0.121 0.000 0.945 636 E CB -0.371 29.252 29.700 -0.129 0.000 0.916 636 E HN 1.191 nan 8.360 nan 0.000 0.477 637 G N 4.615 113.388 108.800 -0.044 0.000 2.383 637 G HA2 -0.333 3.632 3.960 0.008 0.000 0.229 637 G HA3 -0.333 3.632 3.960 0.008 0.000 0.229 637 G C 0.900 175.810 174.900 0.016 0.000 1.089 637 G CA 0.363 45.449 45.100 -0.023 0.000 0.640 637 G HN 0.643 nan 8.290 nan 0.000 0.510 638 N N 1.031 119.757 118.700 0.045 0.000 2.395 638 N HA 0.087 4.831 4.740 0.008 0.000 0.175 638 N C -0.073 175.496 175.510 0.098 0.000 1.029 638 N CA 1.021 54.152 53.050 0.134 0.000 0.897 638 N CB 0.319 38.966 38.487 0.267 0.000 0.991 638 N HN 0.529 nan 8.380 nan 0.000 0.441 639 D N 1.132 121.575 120.400 0.072 0.000 2.408 639 D HA 0.193 4.838 4.640 0.008 0.000 0.243 639 D C -1.985 174.329 176.300 0.024 0.000 1.075 639 D CA -2.111 51.939 54.000 0.083 0.000 0.832 639 D CB 2.341 43.231 40.800 0.149 0.000 1.162 639 D HN -0.057 nan 8.370 nan 0.000 0.515 640 P HA -0.042 nan 4.420 nan 0.000 0.242 640 P C 0.536 177.637 177.300 -0.332 0.000 1.197 640 P CA 0.428 63.416 63.100 -0.186 0.000 0.765 640 P CB 0.051 31.600 31.700 -0.252 0.000 0.936 641 Y N -0.455 119.748 120.300 -0.162 0.000 2.503 641 Y HA 0.043 4.597 4.550 0.008 0.000 0.278 641 Y C 1.453 177.205 175.900 -0.246 0.000 1.111 641 Y CA 0.117 58.017 58.100 -0.332 0.000 1.270 641 Y CB -0.146 37.858 38.460 -0.760 0.000 1.063 641 Y HN -0.296 nan 8.280 nan 0.000 0.548 642 V N 1.643 121.575 119.914 0.030 0.000 2.530 642 V HA 0.118 4.242 4.120 0.008 0.000 0.282 642 V C 0.227 176.312 176.094 -0.014 0.000 1.048 642 V CA -1.111 61.211 62.300 0.035 0.000 0.997 642 V CB 1.148 33.003 31.823 0.052 0.000 0.987 642 V HN 0.051 nan 8.190 nan 0.000 0.477 643 K N 2.548 122.943 120.400 -0.008 0.000 2.148 643 K HA 0.704 5.029 4.320 0.008 0.000 0.239 643 K C 0.508 177.098 176.600 -0.017 0.000 1.018 643 K CA -0.395 55.879 56.287 -0.021 0.000 0.923 643 K CB 0.949 33.442 32.500 -0.011 0.000 1.117 643 K HN 0.876 nan 8.250 nan 0.000 0.477 644 A N 0.986 123.794 122.820 -0.020 0.000 2.440 644 A HA 0.043 4.367 4.320 0.008 0.000 0.298 644 A C 0.934 178.517 177.584 -0.002 0.000 0.963 644 A CA 1.291 53.320 52.037 -0.013 0.000 1.152 644 A CB -1.865 17.128 19.000 -0.013 0.000 0.779 644 A HN 0.968 nan 8.150 nan 0.000 0.422 645 G N 2.278 111.076 108.800 -0.003 0.000 2.249 645 G HA2 -0.266 3.699 3.960 0.008 0.000 0.273 645 G HA3 -0.266 3.699 3.960 0.008 0.000 0.273 645 G C 0.359 175.278 174.900 0.032 0.000 1.036 645 G CA 0.690 45.795 45.100 0.010 0.000 0.824 645 G HN 0.917 nan 8.290 nan 0.000 0.504 646 E N -0.909 119.310 120.200 0.032 0.000 2.415 646 E HA 0.293 4.648 4.350 0.008 0.000 0.197 646 E C 2.321 178.994 176.600 0.121 0.000 1.007 646 E CA 0.492 56.941 56.400 0.082 0.000 0.890 646 E CB 0.175 29.917 29.700 0.070 0.000 0.891 646 E HN 1.198 nan 8.360 nan 0.000 0.496 647 G N 1.536 110.342 108.800 0.009 0.000 4.300 647 G HA2 -0.336 3.629 3.960 0.008 0.000 0.222 647 G HA3 -0.336 3.629 3.960 0.008 0.000 0.222 647 G C 0.060 174.695 174.900 -0.442 0.000 1.344 647 G CA 1.135 46.170 45.100 -0.109 0.000 1.014 647 G HN 0.315 nan 8.290 nan 0.000 0.641 648 Y N 0.175 120.364 120.300 -0.185 0.000 2.457 648 Y HA 0.709 5.264 4.550 0.007 0.000 0.343 648 Y C 0.090 175.793 175.900 -0.328 0.000 0.994 648 Y CA -0.792 57.057 58.100 -0.418 0.000 1.031 648 Y CB 2.286 40.268 38.460 -0.797 0.000 1.246 648 Y HN 0.210 nan 8.280 nan 0.000 0.449 649 K N 3.453 123.772 120.400 -0.134 0.000 2.578 649 K HA 0.415 4.740 4.320 0.008 0.000 0.250 649 K C -1.800 174.675 176.600 -0.207 0.000 0.955 649 K CA -0.609 55.658 56.287 -0.032 0.000 0.825 649 K CB 0.753 33.354 32.500 0.168 0.000 1.151 649 K HN 0.588 nan 8.250 nan 0.000 0.432 650 F N 5.323 125.258 119.950 -0.026 0.000 2.573 650 F HA 0.142 4.673 4.527 0.007 0.000 0.349 650 F C 0.796 176.432 175.800 -0.273 0.000 1.213 650 F CA -0.673 57.091 58.000 -0.393 0.000 1.300 650 F CB -0.267 38.548 39.000 -0.308 0.000 1.661 650 F HN 0.519 nan 8.300 nan 0.000 0.616 651 Y N -1.519 118.783 120.300 0.004 0.000 2.584 651 Y HA 0.223 4.777 4.550 0.008 0.000 0.317 651 Y C 1.640 177.567 175.900 0.045 0.000 1.208 651 Y CA -0.096 58.029 58.100 0.043 0.000 1.299 651 Y CB -1.006 37.482 38.460 0.047 0.000 1.047 651 Y HN 0.387 nan 8.280 nan 0.000 0.506 652 G N 0.915 109.611 108.800 -0.173 0.000 2.394 652 G HA2 -0.083 3.882 3.960 0.008 0.000 0.215 652 G HA3 -0.083 3.882 3.960 0.008 0.000 0.215 652 G C 0.793 175.718 174.900 0.042 0.000 1.165 652 G CA -0.016 45.065 45.100 -0.033 0.000 0.784 652 G HN 0.087 nan 8.290 nan 0.000 0.535 653 K N 0.670 121.087 120.400 0.027 0.000 2.174 653 K HA 0.257 4.582 4.320 0.008 0.000 0.275 653 K C -1.754 174.878 176.600 0.053 0.000 1.015 653 K CA -2.167 54.137 56.287 0.030 0.000 0.933 653 K CB 1.714 34.208 32.500 -0.010 0.000 1.025 653 K HN -0.138 nan 8.250 nan 0.000 0.463 654 P HA -0.196 nan 4.420 nan 0.000 0.218 654 P C 0.289 177.617 177.300 0.046 0.000 1.146 654 P CA 1.466 64.595 63.100 0.049 0.000 0.820 654 P CB 0.213 31.931 31.700 0.030 0.000 0.778 655 D N -2.809 117.609 120.400 0.030 0.000 2.424 655 D HA 0.175 4.819 4.640 0.008 0.000 0.220 655 D C 1.214 177.545 176.300 0.051 0.000 1.150 655 D CA -0.057 53.958 54.000 0.025 0.000 0.831 655 D CB -0.962 39.832 40.800 -0.010 0.000 0.981 655 D HN 0.141 nan 8.370 nan 0.000 0.500 656 G N 0.654 109.506 108.800 0.087 0.000 2.180 656 G HA2 -0.342 3.623 3.960 0.008 0.000 0.263 656 G HA3 -0.342 3.623 3.960 0.008 0.000 0.263 656 G C 0.040 175.051 174.900 0.185 0.000 0.989 656 G CA 0.538 45.723 45.100 0.143 0.000 0.692 656 G HN 0.489 nan 8.290 nan 0.000 0.526 657 K N 0.113 120.561 120.400 0.079 0.000 2.207 657 K HA 0.730 5.054 4.320 0.008 0.000 0.255 657 K C 0.504 177.003 176.600 -0.168 0.000 0.941 657 K CA -0.197 56.092 56.287 0.003 0.000 0.825 657 K CB 2.004 34.440 32.500 -0.107 0.000 1.119 657 K HN 0.370 nan 8.250 nan 0.000 0.430 658 A N 1.882 124.435 122.820 -0.444 0.000 2.313 658 A HA 0.437 4.762 4.320 0.008 0.000 0.261 658 A C -0.348 176.914 177.584 -0.538 0.000 1.090 658 A CA -0.460 51.152 52.037 -0.708 0.000 0.807 658 A CB 0.566 18.848 19.000 -1.197 0.000 1.055 658 A HN 0.421 nan 8.150 nan 0.000 0.492 659 V N 2.160 121.749 119.914 -0.542 0.000 2.487 659 V HA 0.312 4.437 4.120 0.008 0.000 0.298 659 V C -0.189 175.639 176.094 -0.444 0.000 1.028 659 V CA -0.205 61.795 62.300 -0.501 0.000 0.860 659 V CB 1.381 32.893 31.823 -0.517 0.000 0.991 659 V HN 0.719 nan 8.190 nan 0.000 0.427 660 I N 4.840 125.114 120.570 -0.493 0.000 2.395 660 I HA 0.395 4.570 4.170 0.008 0.000 0.289 660 I C -0.816 174.952 176.117 -0.581 0.000 1.023 660 I CA 0.035 61.098 61.300 -0.395 0.000 1.350 660 I CB 0.929 38.675 38.000 -0.424 0.000 1.409 660 I HN 0.454 nan 8.210 nan 0.000 0.507 661 F N 4.790 124.518 119.950 -0.371 0.000 2.426 661 F HA 0.527 5.058 4.527 0.008 0.000 0.348 661 F C 0.495 176.040 175.800 -0.425 0.000 1.124 661 F CA -0.768 57.005 58.000 -0.378 0.000 1.008 661 F CB 1.560 40.361 39.000 -0.332 0.000 1.139 661 F HN 0.413 nan 8.300 nan 0.000 0.452 662 A N 5.984 128.584 122.820 -0.368 0.000 2.347 662 A HA 0.741 5.066 4.320 0.008 0.000 0.287 662 A C -0.830 176.278 177.584 -0.793 0.000 1.199 662 A CA -0.218 51.460 52.037 -0.598 0.000 0.851 662 A CB -0.052 18.466 19.000 -0.804 0.000 1.118 662 A HN 0.816 nan 8.150 nan 0.000 0.525 663 L N 5.084 125.922 121.223 -0.641 0.000 2.464 663 L HA 0.506 4.851 4.340 0.008 0.000 0.266 663 L C -2.407 174.359 176.870 -0.173 0.000 0.965 663 L CA -1.849 52.614 54.840 -0.628 0.000 0.833 663 L CB 3.017 44.511 42.059 -0.942 0.000 1.296 663 L HN 0.509 nan 8.230 nan 0.000 0.405 664 P HA 0.223 nan 4.420 nan 0.000 0.284 664 P C -0.925 176.548 177.300 0.289 0.000 1.292 664 P CA -0.596 62.712 63.100 0.346 0.000 0.800 664 P CB 0.874 32.791 31.700 0.361 0.000 1.188 665 F N 0.427 120.535 119.950 0.263 0.000 2.484 665 F HA 0.296 4.827 4.527 0.008 0.000 0.360 665 F C 0.056 176.053 175.800 0.330 0.000 1.101 665 F CA 0.493 58.658 58.000 0.275 0.000 1.251 665 F CB 0.462 39.622 39.000 0.267 0.000 1.132 665 F HN 0.252 nan 8.300 nan 0.000 0.570 666 E N 6.297 126.054 120.200 -0.738 0.000 2.356 666 E HA 0.375 4.729 4.350 0.008 0.000 0.275 666 E C -2.597 173.495 176.600 -0.848 0.000 0.904 666 E CA -2.309 53.736 56.400 -0.592 0.000 0.757 666 E CB 2.330 32.013 29.700 -0.027 0.000 1.232 666 E HN 0.354 nan 8.360 nan 0.000 0.442 667 P HA 0.185 nan 4.420 nan 0.000 0.278 667 P C -1.004 176.311 177.300 0.025 0.000 1.266 667 P CA -0.486 62.518 63.100 -0.160 0.000 0.807 667 P CB 0.476 32.247 31.700 0.118 0.000 1.094 668 A N 0.859 123.730 122.820 0.085 0.000 2.555 668 A HA 0.260 4.585 4.320 0.008 0.000 0.233 668 A C 1.730 179.193 177.584 -0.201 0.000 1.060 668 A CA 0.559 52.618 52.037 0.037 0.000 0.759 668 A CB -0.831 18.298 19.000 0.216 0.000 0.995 668 A HN 0.600 nan 8.150 nan 0.000 0.506 669 A N 0.851 123.400 122.820 -0.452 0.000 2.024 669 A HA 0.002 4.327 4.320 0.008 0.000 0.220 669 A C 1.028 178.373 177.584 -0.397 0.000 1.164 669 A CA 1.943 53.460 52.037 -0.866 0.000 0.643 669 A CB -0.180 18.404 19.000 -0.694 0.000 0.806 669 A HN 0.928 nan 8.150 nan 0.000 0.451 670 E N -1.021 119.077 120.200 -0.170 0.000 2.649 670 E HA 0.511 4.866 4.350 0.008 0.000 0.310 670 E C -0.587 176.001 176.600 -0.021 0.000 1.036 670 E CA -0.263 56.076 56.400 -0.102 0.000 0.772 670 E CB 0.659 30.289 29.700 -0.117 0.000 1.513 670 E HN 0.390 nan 8.360 nan 0.000 0.384 671 A N 4.094 126.864 122.820 -0.083 0.000 2.313 671 A HA 0.574 4.899 4.320 0.008 0.000 0.261 671 A C -2.332 174.943 177.584 -0.514 0.000 1.090 671 A CA -1.100 50.702 52.037 -0.392 0.000 0.807 671 A CB -0.011 18.874 19.000 -0.192 0.000 1.055 671 A HN 0.441 nan 8.150 nan 0.000 0.492 672 P HA 0.221 nan 4.420 nan 0.000 0.271 672 P C -0.825 176.316 177.300 -0.264 0.000 1.216 672 P CA -0.084 62.731 63.100 -0.475 0.000 0.776 672 P CB 0.796 32.143 31.700 -0.589 0.000 0.881 673 D N 1.593 121.923 120.400 -0.117 0.000 2.424 673 D HA 0.088 4.732 4.640 0.008 0.000 0.239 673 D C 0.917 177.183 176.300 -0.057 0.000 1.246 673 D CA -0.007 53.953 54.000 -0.067 0.000 1.129 673 D CB -0.141 40.650 40.800 -0.014 0.000 1.199 673 D HN 0.361 nan 8.370 nan 0.000 0.584 674 E N -0.578 119.598 120.200 -0.040 0.000 2.364 674 E HA 0.007 4.361 4.350 0.008 0.000 0.203 674 E C 1.705 178.250 176.600 -0.093 0.000 0.888 674 E CA 0.244 56.608 56.400 -0.060 0.000 0.989 674 E CB -0.217 29.453 29.700 -0.050 0.000 0.985 674 E HN 0.625 nan 8.360 nan 0.000 0.499 675 E N 0.713 120.841 120.200 -0.120 0.000 2.015 675 E HA -0.122 4.233 4.350 0.008 0.000 0.191 675 E C -0.066 176.308 176.600 -0.376 0.000 0.991 675 E CA 0.768 56.996 56.400 -0.287 0.000 0.802 675 E CB -0.053 29.411 29.700 -0.394 0.000 0.759 675 E HN 0.212 nan 8.360 nan 0.000 0.447 676 Y N 1.825 122.086 120.300 -0.065 0.000 2.714 676 Y HA 0.116 4.670 4.550 0.007 0.000 0.333 676 Y C -0.062 175.777 175.900 -0.101 0.000 1.220 676 Y CA -0.440 57.617 58.100 -0.071 0.000 1.513 676 Y CB 0.416 38.834 38.460 -0.071 0.000 1.435 676 Y HN 0.185 nan 8.280 nan 0.000 0.489 677 D N 0.306 120.699 120.400 -0.011 0.000 2.349 677 D HA 0.030 4.675 4.640 0.008 0.000 0.224 677 D C -0.195 176.066 176.300 -0.065 0.000 1.029 677 D CA 0.518 54.486 54.000 -0.054 0.000 0.879 677 D CB 0.141 40.907 40.800 -0.056 0.000 0.906 677 D HN 0.341 nan 8.370 nan 0.000 0.528 678 L N -0.519 120.683 121.223 -0.034 0.000 2.408 678 L HA 0.408 4.752 4.340 0.008 0.000 0.268 678 L C -0.699 176.191 176.870 0.032 0.000 0.986 678 L CA -1.247 53.595 54.840 0.004 0.000 0.820 678 L CB 1.906 44.008 42.059 0.071 0.000 1.303 678 L HN -0.079 nan 8.230 nan 0.000 0.411 679 W N 3.337 124.671 121.300 0.057 0.000 2.251 679 W HA 0.272 4.937 4.660 0.007 0.000 0.327 679 W C -0.176 176.378 176.519 0.058 0.000 1.361 679 W CA -0.253 57.126 57.345 0.056 0.000 1.234 679 W CB 0.643 30.144 29.460 0.068 0.000 1.212 679 W HN 0.176 nan 8.180 nan 0.000 0.557 680 L N 4.582 126.009 121.223 0.339 0.000 2.287 680 L HA 0.475 4.820 4.340 0.008 0.000 0.287 680 L C -0.073 176.901 176.870 0.174 0.000 1.022 680 L CA -0.047 54.909 54.840 0.193 0.000 0.814 680 L CB 1.284 43.408 42.059 0.107 0.000 1.217 680 L HN 0.246 nan 8.230 nan 0.000 0.420 681 S N 2.244 118.033 115.700 0.148 0.000 2.621 681 S HA 0.930 5.404 4.470 0.008 0.000 0.302 681 S C -0.411 174.172 174.600 -0.028 0.000 1.093 681 S CA -0.007 58.290 58.200 0.161 0.000 1.017 681 S CB 1.185 64.594 63.200 0.349 0.000 1.077 681 S HN 0.877 nan 8.310 nan 0.000 0.517 682 T N -0.595 113.934 114.554 -0.043 0.000 2.812 682 T HA 0.938 5.292 4.350 0.008 0.000 0.294 682 T C 0.195 174.841 174.700 -0.090 0.000 1.159 682 T CA -0.048 61.866 62.100 -0.310 0.000 1.008 682 T CB 1.267 70.040 68.868 -0.158 0.000 1.289 682 T HN 1.189 nan 8.240 nan 0.000 0.514 683 G N 0.619 109.371 108.800 -0.081 0.000 2.534 683 G HA2 0.425 4.389 3.960 0.008 0.000 0.142 683 G HA3 0.425 4.389 3.960 0.008 0.000 0.142 683 G C -1.618 173.444 174.900 0.271 0.000 1.178 683 G CA -0.890 44.354 45.100 0.239 0.000 1.037 683 G HN 0.868 nan 8.290 nan 0.000 0.474 684 R N -1.593 119.065 120.500 0.263 0.000 2.939 684 R HA 0.853 5.198 4.340 0.008 0.000 0.254 684 R C -1.206 175.146 176.300 0.086 0.000 1.123 684 R CA -0.774 55.380 56.100 0.090 0.000 1.020 684 R CB 2.370 32.673 30.300 0.006 0.000 1.206 684 R HN 0.464 nan 8.270 nan 0.000 0.491 685 V N 1.485 121.384 119.914 -0.025 0.000 2.971 685 V HA 0.131 4.256 4.120 0.008 0.000 0.309 685 V C 1.028 177.054 176.094 -0.113 0.000 1.130 685 V CA -0.715 61.552 62.300 -0.054 0.000 0.964 685 V CB 2.174 33.901 31.823 -0.159 0.000 1.029 685 V HN 0.713 nan 8.190 nan 0.000 0.427 686 L N 2.865 124.044 121.223 -0.073 0.000 2.030 686 L HA -0.178 4.166 4.340 0.008 0.000 0.222 686 L C 2.314 179.076 176.870 -0.180 0.000 1.082 686 L CA 2.570 57.349 54.840 -0.101 0.000 0.785 686 L CB -0.001 42.027 42.059 -0.051 0.000 0.895 686 L HN 0.952 nan 8.230 nan 0.000 0.439 687 E N -1.643 118.405 120.200 -0.253 0.000 2.502 687 E HA -0.005 4.349 4.350 0.008 0.000 0.194 687 E C 0.042 176.223 176.600 -0.697 0.000 1.062 687 E CA 0.340 56.481 56.400 -0.431 0.000 0.867 687 E CB -0.108 29.339 29.700 -0.423 0.000 0.888 687 E HN 0.544 nan 8.360 nan 0.000 0.510 688 H N -0.417 118.434 119.070 -0.365 0.000 2.637 688 H HA 0.225 4.786 4.556 0.007 0.000 0.363 688 H C -1.140 174.010 175.328 -0.298 0.000 1.131 688 H CA -0.849 54.957 56.048 -0.403 0.000 1.183 688 H CB 1.357 30.721 29.762 -0.663 0.000 1.637 688 H HN 0.155 nan 8.280 nan 0.000 0.531 689 W N 4.906 125.993 121.300 -0.355 0.000 2.335 689 W HA 0.119 4.783 4.660 0.007 0.000 0.307 689 W C -0.102 176.247 176.519 -0.283 0.000 1.117 689 W CA 0.023 57.095 57.345 -0.455 0.000 1.228 689 W CB 0.317 29.475 29.460 -0.502 0.000 1.240 689 W HN 0.823 nan 8.180 nan 0.000 0.468 690 H N 0.761 119.385 119.070 -0.743 0.000 1.452 690 H HA -0.340 4.221 4.556 0.007 0.000 0.090 690 H C 1.830 176.684 175.328 -0.790 0.000 1.068 690 H CA 3.180 58.742 56.048 -0.809 0.000 1.901 690 H CB -1.699 27.721 29.762 -0.571 0.000 2.257 690 H HN 0.462 nan 8.280 nan 0.000 0.961 691 T N -0.822 113.662 114.554 -0.117 0.000 3.144 691 T HA 0.357 4.712 4.350 0.008 0.000 0.249 691 T C 1.640 176.317 174.700 -0.039 0.000 1.089 691 T CA 1.338 63.401 62.100 -0.062 0.000 0.989 691 T CB -0.155 68.773 68.868 0.100 0.000 0.992 691 T HN 1.225 nan 8.240 nan 0.000 0.540 692 G N 1.780 110.555 108.800 -0.043 0.000 2.196 692 G HA2 -0.387 3.578 3.960 0.008 0.000 0.268 692 G HA3 -0.387 3.578 3.960 0.008 0.000 0.268 692 G C 1.246 176.138 174.900 -0.013 0.000 0.975 692 G CA 1.112 46.173 45.100 -0.066 0.000 0.648 692 G HN 1.159 nan 8.290 nan 0.000 0.538 693 S N -0.785 114.944 115.700 0.049 0.000 2.442 693 S HA 0.049 4.523 4.470 0.008 0.000 0.236 693 S C 2.245 176.826 174.600 -0.032 0.000 1.007 693 S CA 1.801 60.013 58.200 0.020 0.000 0.965 693 S CB -0.233 63.030 63.200 0.105 0.000 0.773 693 S HN 0.549 nan 8.310 nan 0.000 0.504 694 M N 1.517 121.184 119.600 0.112 0.000 2.299 694 M HA 0.009 4.493 4.480 0.008 0.000 0.264 694 M C 2.646 178.992 176.300 0.076 0.000 1.095 694 M CA 1.620 56.999 55.300 0.131 0.000 1.165 694 M CB -0.692 32.092 32.600 0.307 0.000 1.349 694 M HN 0.611 nan 8.290 nan 0.000 0.446 695 T N -1.814 112.804 114.554 0.107 0.000 3.043 695 T HA 0.050 4.404 4.350 0.008 0.000 0.263 695 T C 1.713 176.479 174.700 0.111 0.000 1.094 695 T CA 0.478 62.649 62.100 0.119 0.000 1.127 695 T CB -0.287 68.677 68.868 0.159 0.000 0.905 695 T HN 0.282 nan 8.240 nan 0.000 0.490 696 R N 0.585 121.081 120.500 -0.007 0.000 2.316 696 R HA 0.245 4.590 4.340 0.008 0.000 0.202 696 R C 2.000 178.268 176.300 -0.054 0.000 1.029 696 R CA 0.429 56.529 56.100 -0.001 0.000 1.018 696 R CB -0.021 30.242 30.300 -0.061 0.000 0.888 696 R HN 0.322 nan 8.270 nan 0.000 0.471 697 R N -0.043 120.402 120.500 -0.092 0.000 2.393 697 R HA 0.158 4.503 4.340 0.008 0.000 0.244 697 R C -0.583 175.680 176.300 -0.062 0.000 0.920 697 R CA -0.035 55.979 56.100 -0.142 0.000 1.076 697 R CB 1.135 31.256 30.300 -0.299 0.000 1.119 697 R HN -0.087 nan 8.270 nan 0.000 0.524 698 V N 2.157 122.052 119.914 -0.032 0.000 2.311 698 V HA 0.177 4.302 4.120 0.008 0.000 0.275 698 V C -1.729 174.304 176.094 -0.102 0.000 1.022 698 V CA -1.743 60.515 62.300 -0.070 0.000 0.830 698 V CB 1.556 33.318 31.823 -0.103 0.000 1.012 698 V HN -0.034 nan 8.190 nan 0.000 0.452 699 P HA -0.217 nan 4.420 nan 0.000 0.216 699 P C 1.540 178.801 177.300 -0.065 0.000 1.157 699 P CA 1.402 64.475 63.100 -0.045 0.000 0.880 699 P CB 0.244 31.920 31.700 -0.039 0.000 0.791 700 E N -0.446 119.615 120.200 -0.232 0.000 2.268 700 E HA -0.100 4.255 4.350 0.008 0.000 0.195 700 E C 2.010 178.455 176.600 -0.259 0.000 0.995 700 E CA 0.960 57.198 56.400 -0.270 0.000 0.836 700 E CB -1.065 28.387 29.700 -0.415 0.000 0.763 700 E HN 0.325 nan 8.360 nan 0.000 0.491 701 L N 0.109 121.159 121.223 -0.288 0.000 2.249 701 L HA -0.018 4.327 4.340 0.008 0.000 0.207 701 L C 2.667 179.504 176.870 -0.054 0.000 1.090 701 L CA 0.894 55.604 54.840 -0.217 0.000 0.802 701 L CB -0.376 41.556 42.059 -0.212 0.000 0.947 701 L HN 0.175 nan 8.230 nan 0.000 0.453 702 H N -0.087 118.978 119.070 -0.009 0.000 2.428 702 H HA 0.018 4.580 4.556 0.009 0.000 0.296 702 H C 1.855 177.216 175.328 0.054 0.000 1.062 702 H CA 0.817 56.910 56.048 0.076 0.000 1.350 702 H CB 0.328 30.108 29.762 0.030 0.000 1.403 702 H HN 0.044 nan 8.280 nan 0.000 0.533 703 R N -0.341 120.146 120.500 -0.021 0.000 3.313 703 R HA 0.120 4.465 4.340 0.008 0.000 0.183 703 R C 1.525 177.770 176.300 -0.092 0.000 0.873 703 R CA 0.607 56.662 56.100 -0.076 0.000 1.253 703 R CB -0.402 29.878 30.300 -0.033 0.000 0.675 703 R HN 0.472 nan 8.270 nan 0.000 0.479 704 A N -0.352 122.415 122.820 -0.087 0.000 1.470 704 A HA -0.296 4.029 4.320 0.008 0.000 0.223 704 A C 0.542 178.065 177.584 -0.102 0.000 0.339 704 A CA 2.300 54.280 52.037 -0.096 0.000 1.096 704 A CB -1.351 17.591 19.000 -0.096 0.000 1.465 704 A HN 0.502 nan 8.150 nan 0.000 0.719 705 F N 0.886 120.740 119.950 -0.160 0.000 2.769 705 F HA 0.474 5.005 4.527 0.007 0.000 0.358 705 F C -1.881 173.892 175.800 -0.045 0.000 1.285 705 F CA -1.541 56.406 58.000 -0.089 0.000 1.199 705 F CB 1.684 40.576 39.000 -0.179 0.000 1.558 705 F HN 0.076 nan 8.300 nan 0.000 0.583 706 P HA -0.038 nan 4.420 nan 0.000 0.222 706 P C -0.415 176.942 177.300 0.095 0.000 1.153 706 P CA 1.191 64.170 63.100 -0.202 0.000 0.798 706 P CB 0.853 32.414 31.700 -0.230 0.000 0.796 707 E N -1.368 119.057 120.200 0.375 0.000 2.408 707 E HA 0.587 4.941 4.350 0.008 0.000 0.275 707 E C -1.022 175.825 176.600 0.412 0.000 0.935 707 E CA -1.168 55.420 56.400 0.314 0.000 0.775 707 E CB 2.295 32.084 29.700 0.147 0.000 1.277 707 E HN -0.139 nan 8.360 nan 0.000 0.455 708 A N 1.289 124.050 122.820 -0.099 0.000 2.440 708 A HA 0.471 4.796 4.320 0.008 0.000 0.251 708 A C 0.267 177.879 177.584 0.047 0.000 1.089 708 A CA -0.331 51.562 52.037 -0.241 0.000 0.779 708 A CB 0.066 18.712 19.000 -0.590 0.000 1.022 708 A HN 0.379 nan 8.150 nan 0.000 0.492 709 V N 0.718 120.745 119.914 0.190 0.000 3.229 709 V HA 0.792 4.916 4.120 0.008 0.000 0.310 709 V C -0.198 175.953 176.094 0.093 0.000 1.206 709 V CA -1.021 61.336 62.300 0.095 0.000 1.051 709 V CB 1.524 33.345 31.823 -0.002 0.000 1.183 709 V HN 0.910 nan 8.190 nan 0.000 0.466 710 L N 1.051 122.281 121.223 0.012 0.000 2.316 710 L HA 0.595 4.940 4.340 0.008 0.000 0.280 710 L C -1.218 175.684 176.870 0.053 0.000 1.006 710 L CA -0.408 54.480 54.840 0.079 0.000 0.836 710 L CB 0.757 42.837 42.059 0.035 0.000 1.221 710 L HN 0.663 nan 8.230 nan 0.000 0.418 711 F N 6.152 126.156 119.950 0.089 0.000 2.445 711 F HA 0.393 4.924 4.527 0.007 0.000 0.359 711 F C 0.326 176.157 175.800 0.051 0.000 1.101 711 F CA 0.058 58.100 58.000 0.071 0.000 1.177 711 F CB 0.838 39.881 39.000 0.072 0.000 1.110 711 F HN 0.364 nan 8.300 nan 0.000 0.522 712 I N 2.954 123.613 120.570 0.148 0.000 2.769 712 I HA 0.251 4.425 4.170 0.008 0.000 0.298 712 I C -0.530 175.655 176.117 0.114 0.000 1.128 712 I CA -0.860 60.517 61.300 0.128 0.000 1.031 712 I CB 1.582 39.634 38.000 0.087 0.000 1.235 712 I HN 0.479 nan 8.210 nan 0.000 0.423 713 H N 7.503 126.610 119.070 0.062 0.000 2.928 713 H HA 0.150 4.710 4.556 0.008 0.000 0.338 713 H C -1.816 173.528 175.328 0.026 0.000 1.047 713 H CA -0.915 55.158 56.048 0.042 0.000 1.435 713 H CB 1.604 31.391 29.762 0.042 0.000 1.428 713 H HN 0.362 nan 8.280 nan 0.000 0.590 714 P HA -0.168 nan 4.420 nan 0.000 0.217 714 P C 1.700 179.092 177.300 0.153 0.000 1.148 714 P CA 1.066 64.186 63.100 0.034 0.000 0.828 714 P CB 0.371 32.037 31.700 -0.057 0.000 0.783 715 L N -0.739 120.696 121.223 0.354 0.000 2.179 715 L HA -0.072 4.273 4.340 0.008 0.000 0.208 715 L C 2.113 179.044 176.870 0.103 0.000 1.096 715 L CA 1.312 56.260 54.840 0.180 0.000 0.779 715 L CB -0.972 41.163 42.059 0.126 0.000 0.922 715 L HN -0.074 nan 8.230 nan 0.000 0.443 716 D N 0.498 120.973 120.400 0.125 0.000 2.178 716 D HA -0.113 4.531 4.640 0.008 0.000 0.202 716 D C 2.179 178.514 176.300 0.058 0.000 0.974 716 D CA 1.340 55.385 54.000 0.074 0.000 0.841 716 D CB 0.175 41.032 40.800 0.095 0.000 0.953 716 D HN 0.254 nan 8.370 nan 0.000 0.478 717 A N 0.288 123.147 122.820 0.065 0.000 1.930 717 A HA -0.090 4.235 4.320 0.008 0.000 0.215 717 A C 2.029 179.629 177.584 0.026 0.000 1.176 717 A CA 1.474 53.533 52.037 0.036 0.000 0.632 717 A CB -0.284 18.732 19.000 0.026 0.000 0.819 717 A HN 0.081 nan 8.150 nan 0.000 0.445 718 K N 0.731 121.152 120.400 0.034 0.000 1.978 718 K HA -0.027 4.298 4.320 0.008 0.000 0.214 718 K C 1.698 178.307 176.600 0.016 0.000 1.049 718 K CA 1.831 58.132 56.287 0.023 0.000 0.939 718 K CB -0.706 31.813 32.500 0.031 0.000 0.721 718 K HN 0.288 nan 8.250 nan 0.000 0.441 719 A N 0.118 122.949 122.820 0.019 0.000 2.292 719 A HA -0.055 4.270 4.320 0.008 0.000 0.205 719 A C 1.634 179.221 177.584 0.004 0.000 1.243 719 A CA 1.215 53.257 52.037 0.009 0.000 0.783 719 A CB -0.530 18.474 19.000 0.007 0.000 0.760 719 A HN 0.391 nan 8.150 nan 0.000 0.498 720 R N -1.449 119.054 120.500 0.006 0.000 2.549 720 R HA 0.132 4.476 4.340 0.008 0.000 0.361 720 R C -0.340 175.959 176.300 -0.002 0.000 0.969 720 R CA 0.394 56.494 56.100 -0.000 0.000 1.158 720 R CB 0.328 30.630 30.300 0.003 0.000 1.456 720 R HN 0.312 nan 8.270 nan 0.000 0.540 721 D N 0.620 121.019 120.400 -0.001 0.000 2.699 721 D HA -0.188 4.457 4.640 0.008 0.000 0.239 721 D C -1.342 174.955 176.300 -0.005 0.000 1.136 721 D CA 0.849 54.847 54.000 -0.003 0.000 0.668 721 D CB -0.681 40.115 40.800 -0.006 0.000 1.060 721 D HN 0.227 nan 8.370 nan 0.000 0.429 722 L N 0.048 121.270 121.223 -0.002 0.000 2.333 722 L HA 0.720 5.064 4.340 0.008 0.000 0.269 722 L C 0.519 177.384 176.870 -0.007 0.000 1.010 722 L CA -1.030 53.807 54.840 -0.005 0.000 0.818 722 L CB 1.984 44.041 42.059 -0.003 0.000 1.306 722 L HN 0.074 nan 8.230 nan 0.000 0.430 723 R N 0.575 121.067 120.500 -0.014 0.000 2.673 723 R HA 0.528 4.873 4.340 0.008 0.000 0.281 723 R C -0.817 175.466 176.300 -0.029 0.000 0.991 723 R CA -1.072 55.017 56.100 -0.019 0.000 0.896 723 R CB 1.605 31.894 30.300 -0.018 0.000 1.201 723 R HN 0.454 nan 8.270 nan 0.000 0.457 724 R N 0.990 121.467 120.500 -0.038 0.000 2.526 724 R HA -0.035 4.310 4.340 0.008 0.000 0.319 724 R C 0.551 176.818 176.300 -0.054 0.000 0.888 724 R CA 2.327 58.393 56.100 -0.056 0.000 1.127 724 R CB -0.365 29.897 30.300 -0.062 0.000 0.888 724 R HN 1.033 nan 8.270 nan 0.000 0.410 725 G N 2.958 111.721 108.800 -0.061 0.000 2.232 725 G HA2 -0.230 3.734 3.960 0.008 0.000 0.226 725 G HA3 -0.230 3.734 3.960 0.008 0.000 0.226 725 G C -0.355 174.522 174.900 -0.038 0.000 0.996 725 G CA 0.036 45.105 45.100 -0.052 0.000 0.626 725 G HN 0.670 nan 8.290 nan 0.000 0.509 726 D N 1.324 121.704 120.400 -0.033 0.000 2.443 726 D HA 0.315 4.960 4.640 0.008 0.000 0.239 726 D C 0.726 177.013 176.300 -0.022 0.000 1.136 726 D CA 0.316 54.301 54.000 -0.024 0.000 0.879 726 D CB 0.725 41.513 40.800 -0.020 0.000 1.195 726 D HN 0.308 nan 8.370 nan 0.000 0.443 727 K N 1.026 121.416 120.400 -0.017 0.000 2.368 727 K HA 0.280 4.605 4.320 0.008 0.000 0.282 727 K C -0.912 175.680 176.600 -0.012 0.000 1.035 727 K CA -0.186 56.092 56.287 -0.014 0.000 0.973 727 K CB 0.768 33.262 32.500 -0.011 0.000 0.957 727 K HN 0.162 nan 8.250 nan 0.000 0.474 728 V N 4.720 124.627 119.914 -0.012 0.000 2.623 728 V HA 0.275 4.400 4.120 0.008 0.000 0.304 728 V C -1.282 174.808 176.094 -0.006 0.000 1.054 728 V CA -0.914 61.382 62.300 -0.008 0.000 0.882 728 V CB 1.802 33.621 31.823 -0.006 0.000 1.002 728 V HN 0.746 nan 8.190 nan 0.000 0.424 729 K N 4.982 125.380 120.400 -0.003 0.000 2.258 729 K HA 0.668 4.993 4.320 0.008 0.000 0.284 729 K C -1.100 175.504 176.600 0.007 0.000 1.051 729 K CA -0.378 55.909 56.287 -0.001 0.000 0.923 729 K CB 1.376 33.875 32.500 -0.001 0.000 1.046 729 K HN 0.591 nan 8.250 nan 0.000 0.474 730 V N 5.089 125.008 119.914 0.010 0.000 2.370 730 V HA 0.369 4.493 4.120 0.008 0.000 0.283 730 V C -0.555 175.559 176.094 0.033 0.000 1.023 730 V CA -0.949 61.364 62.300 0.023 0.000 0.857 730 V CB 1.395 33.227 31.823 0.015 0.000 0.985 730 V HN 0.482 nan 8.190 nan 0.000 0.443 731 V N 4.319 124.272 119.914 0.065 0.000 2.540 731 V HA 0.686 4.811 4.120 0.008 0.000 0.302 731 V C 0.234 176.431 176.094 0.171 0.000 1.035 731 V CA -0.207 62.153 62.300 0.100 0.000 0.873 731 V CB 2.055 33.939 31.823 0.102 0.000 0.992 731 V HN 1.031 nan 8.190 nan 0.000 0.428 732 S N 4.720 120.473 115.700 0.089 0.000 2.759 732 S HA 0.520 4.995 4.470 0.008 0.000 0.310 732 S C 0.745 175.270 174.600 -0.124 0.000 1.123 732 S CA -0.826 57.341 58.200 -0.056 0.000 0.959 732 S CB 1.674 64.806 63.200 -0.113 0.000 1.172 732 S HN 0.564 nan 8.310 nan 0.000 0.539 733 R N -0.190 120.050 120.500 -0.434 0.000 2.293 733 R HA 0.098 4.442 4.340 0.008 0.000 0.219 733 R C 1.842 178.079 176.300 -0.106 0.000 1.091 733 R CA 1.070 57.005 56.100 -0.274 0.000 1.004 733 R CB -0.179 29.904 30.300 -0.361 0.000 0.865 733 R HN 0.586 nan 8.270 nan 0.000 0.469 734 R N -1.198 119.243 120.500 -0.100 0.000 2.316 734 R HA 0.199 4.544 4.340 0.008 0.000 0.201 734 R C 0.515 176.789 176.300 -0.043 0.000 0.888 734 R CA 0.386 56.446 56.100 -0.067 0.000 1.041 734 R CB 1.531 31.782 30.300 -0.082 0.000 1.115 734 R HN 0.168 nan 8.270 nan 0.000 0.559 735 G N 0.514 109.295 108.800 -0.033 0.000 2.349 735 G HA2 0.196 4.161 3.960 0.008 0.000 0.294 735 G HA3 0.196 4.161 3.960 0.008 0.000 0.294 735 G C -1.921 172.976 174.900 -0.005 0.000 1.380 735 G CA -0.760 44.328 45.100 -0.020 0.000 0.811 735 G HN 0.080 nan 8.290 nan 0.000 0.519 736 E N -1.738 118.459 120.200 -0.006 0.000 2.367 736 E HA 0.739 5.094 4.350 0.008 0.000 0.273 736 E C -1.000 175.593 176.600 -0.013 0.000 0.903 736 E CA -1.082 55.318 56.400 -0.000 0.000 0.764 736 E CB 2.613 32.318 29.700 0.009 0.000 1.252 736 E HN 1.433 nan 8.360 nan 0.000 0.446 737 V N -1.034 118.872 119.914 -0.014 0.000 3.049 737 V HA 0.640 4.764 4.120 0.008 0.000 0.309 737 V C -0.859 175.224 176.094 -0.018 0.000 1.148 737 V CA -1.047 61.239 62.300 -0.023 0.000 0.990 737 V CB 1.524 33.324 31.823 -0.038 0.000 1.039 737 V HN 0.771 nan 8.190 nan 0.000 0.430 738 I N 2.993 123.551 120.570 -0.021 0.000 2.330 738 I HA 0.647 4.822 4.170 0.008 0.000 0.289 738 I C 0.462 176.566 176.117 -0.022 0.000 1.001 738 I CA 0.299 61.589 61.300 -0.017 0.000 1.193 738 I CB 1.586 39.578 38.000 -0.013 0.000 1.345 738 I HN 0.897 nan 8.210 nan 0.000 0.461 739 S N 5.689 121.377 115.700 -0.020 0.000 2.801 739 S HA 0.751 5.225 4.470 0.008 0.000 0.312 739 S C -0.594 173.996 174.600 -0.017 0.000 1.112 739 S CA -0.485 57.702 58.200 -0.022 0.000 0.943 739 S CB 1.121 64.309 63.200 -0.021 0.000 1.269 739 S HN 0.343 nan 8.310 nan 0.000 0.558 740 I N 1.357 121.917 120.570 -0.018 0.000 2.493 740 I HA 0.407 4.581 4.170 0.008 0.000 0.298 740 I C -0.741 175.348 176.117 -0.047 0.000 0.998 740 I CA -0.610 60.673 61.300 -0.028 0.000 1.137 740 I CB 2.004 39.989 38.000 -0.024 0.000 1.310 740 I HN 0.310 nan 8.210 nan 0.000 0.445 741 V N 4.532 124.414 119.914 -0.053 0.000 2.439 741 V HA 0.203 4.328 4.120 0.008 0.000 0.271 741 V C -0.026 175.998 176.094 -0.116 0.000 1.040 741 V CA -0.183 62.078 62.300 -0.065 0.000 1.002 741 V CB 0.726 32.524 31.823 -0.042 0.000 1.000 741 V HN 0.661 nan 8.190 nan 0.000 0.477 742 E N 3.441 123.541 120.200 -0.167 0.000 2.207 742 E HA 0.335 4.690 4.350 0.008 0.000 0.250 742 E C 0.717 177.204 176.600 -0.189 0.000 0.890 742 E CA -0.254 55.983 56.400 -0.272 0.000 0.749 742 E CB 1.317 30.654 29.700 -0.605 0.000 1.193 742 E HN 0.730 nan 8.360 nan 0.000 0.423 743 T N 1.397 115.877 114.554 -0.124 0.000 3.060 743 T HA 0.214 4.569 4.350 0.008 0.000 0.249 743 T C 1.284 175.936 174.700 -0.080 0.000 1.079 743 T CA -0.092 61.961 62.100 -0.079 0.000 1.013 743 T CB 0.139 68.970 68.868 -0.061 0.000 0.975 743 T HN 0.332 nan 8.240 nan 0.000 0.518 744 R N 0.381 120.823 120.500 -0.097 0.000 2.590 744 R HA 0.390 4.735 4.340 0.008 0.000 0.410 744 R C 1.094 177.375 176.300 -0.032 0.000 1.010 744 R CA -0.255 55.808 56.100 -0.063 0.000 1.155 744 R CB 0.402 30.662 30.300 -0.067 0.000 1.455 744 R HN 0.419 nan 8.270 nan 0.000 0.567 745 G N 0.343 109.128 108.800 -0.026 0.000 2.525 745 G HA2 -0.086 3.878 3.960 0.008 0.000 0.276 745 G HA3 -0.086 3.878 3.960 0.008 0.000 0.276 745 G C 0.700 175.794 174.900 0.323 0.000 1.388 745 G CA -0.407 44.777 45.100 0.140 0.000 1.050 745 G HN 0.347 nan 8.290 nan 0.000 0.520 746 R N -0.998 119.780 120.500 0.464 0.000 2.189 746 R HA 0.033 4.377 4.340 0.008 0.000 0.218 746 R C -0.221 176.165 176.300 0.144 0.000 1.074 746 R CA 0.622 56.860 56.100 0.230 0.000 0.991 746 R CB -0.240 30.163 30.300 0.173 0.000 0.883 746 R HN 0.262 nan 8.270 nan 0.000 0.457 747 N N 1.741 120.518 118.700 0.129 0.000 2.425 747 N HA 0.174 4.918 4.740 0.008 0.000 0.268 747 N C -0.922 174.681 175.510 0.156 0.000 0.991 747 N CA -0.389 52.634 53.050 -0.045 0.000 0.931 747 N CB 1.528 39.572 38.487 -0.739 0.000 1.130 747 N HN 0.070 nan 8.380 nan 0.000 0.493 748 R N 2.548 123.091 120.500 0.072 0.000 2.396 748 R HA 0.351 4.696 4.340 0.008 0.000 0.292 748 R C -2.461 173.867 176.300 0.046 0.000 1.240 748 R CA -1.552 54.570 56.100 0.036 0.000 1.270 748 R CB 1.177 31.451 30.300 -0.043 0.000 1.108 748 R HN 0.417 nan 8.270 nan 0.000 0.573 749 P HA 0.228 nan 4.420 nan 0.000 0.278 749 P C -2.479 174.950 177.300 0.216 0.000 1.238 749 P CA -1.610 61.584 63.100 0.156 0.000 0.794 749 P CB 0.460 32.253 31.700 0.156 0.000 0.955 750 P HA 0.056 nan 4.420 nan 0.000 0.272 750 P C -0.115 177.251 177.300 0.110 0.000 1.230 750 P CA 0.028 63.228 63.100 0.167 0.000 0.788 750 P CB 0.502 32.245 31.700 0.071 0.000 0.949 751 Q N 0.242 119.960 119.800 -0.135 0.000 2.333 751 Q HA 0.266 4.611 4.340 0.008 0.000 0.299 751 Q C 1.245 177.256 176.000 0.019 0.000 1.067 751 Q CA 0.968 56.681 55.803 -0.150 0.000 0.943 751 Q CB -0.323 28.221 28.738 -0.325 0.000 1.233 751 Q HN 0.894 nan 8.270 nan 0.000 0.401 752 G N 1.567 110.407 108.800 0.067 0.000 2.232 752 G HA2 -0.251 3.714 3.960 0.008 0.000 0.226 752 G HA3 -0.251 3.714 3.960 0.008 0.000 0.226 752 G C -0.332 174.703 174.900 0.225 0.000 0.996 752 G CA -0.083 45.088 45.100 0.118 0.000 0.626 752 G HN 0.505 nan 8.290 nan 0.000 0.509 753 L N 1.049 122.413 121.223 0.234 0.000 2.381 753 L HA 0.853 5.198 4.340 0.008 0.000 0.274 753 L C -0.456 176.542 176.870 0.213 0.000 0.988 753 L CA -1.099 53.911 54.840 0.284 0.000 0.824 753 L CB 2.054 44.273 42.059 0.268 0.000 1.263 753 L HN 0.202 nan 8.230 nan 0.000 0.410 754 V N 5.160 125.198 119.914 0.208 0.000 2.715 754 V HA 0.538 4.663 4.120 0.008 0.000 0.310 754 V C -1.678 174.514 176.094 0.163 0.000 1.054 754 V CA -0.352 62.050 62.300 0.170 0.000 0.928 754 V CB 2.014 33.919 31.823 0.137 0.000 1.007 754 V HN 0.713 nan 8.190 nan 0.000 0.437 755 Y N 6.131 126.416 120.300 -0.025 0.000 2.376 755 Y HA 0.749 5.304 4.550 0.008 0.000 0.340 755 Y C -0.509 175.392 175.900 0.002 0.000 0.965 755 Y CA -0.831 57.187 58.100 -0.136 0.000 1.078 755 Y CB 2.037 40.165 38.460 -0.554 0.000 1.193 755 Y HN 0.750 nan 8.280 nan 0.000 0.452 756 M N 9.520 128.764 119.600 -0.594 0.000 2.327 756 M HA 0.506 4.991 4.480 0.008 0.000 0.298 756 M C -2.852 173.075 176.300 -0.621 0.000 1.065 756 M CA -2.120 52.945 55.300 -0.391 0.000 0.916 756 M CB 2.653 35.147 32.600 -0.177 0.000 1.630 756 M HN 0.424 nan 8.290 nan 0.000 0.442 757 P HA 0.228 nan 4.420 nan 0.000 0.279 757 P C -0.633 176.531 177.300 -0.227 0.000 1.252 757 P CA -0.195 62.764 63.100 -0.235 0.000 0.811 757 P CB 0.355 32.007 31.700 -0.079 0.000 1.035 758 F N -0.344 119.437 119.950 -0.283 0.000 2.647 758 F HA 0.309 4.841 4.527 0.008 0.000 0.300 758 F C 1.383 177.041 175.800 -0.236 0.000 1.106 758 F CA -0.806 57.026 58.000 -0.279 0.000 1.313 758 F CB -0.918 37.941 39.000 -0.235 0.000 1.007 758 F HN 0.075 nan 8.300 nan 0.000 0.536 759 F N -0.177 119.468 119.950 -0.508 0.000 2.502 759 F HA 0.093 4.624 4.527 0.007 0.000 0.298 759 F C 0.540 176.143 175.800 -0.329 0.000 1.111 759 F CA -0.124 57.572 58.000 -0.506 0.000 1.445 759 F CB -0.418 38.279 39.000 -0.506 0.000 1.081 759 F HN 0.011 nan 8.300 nan 0.000 0.558 760 D N 1.524 121.540 120.400 -0.640 0.000 2.456 760 D HA 0.314 4.959 4.640 0.008 0.000 0.219 760 D C 1.219 177.410 176.300 -0.181 0.000 1.126 760 D CA -0.001 53.758 54.000 -0.402 0.000 0.890 760 D CB 1.424 41.798 40.800 -0.710 0.000 1.025 760 D HN 0.219 nan 8.370 nan 0.000 0.511 761 A N 3.417 126.193 122.820 -0.074 0.000 2.194 761 A HA -0.017 4.308 4.320 0.008 0.000 0.220 761 A C 1.837 179.397 177.584 -0.039 0.000 1.162 761 A CA 1.681 53.694 52.037 -0.041 0.000 0.674 761 A CB -0.189 18.804 19.000 -0.012 0.000 0.789 761 A HN 0.585 nan 8.150 nan 0.000 0.470 762 A N -1.602 121.190 122.820 -0.048 0.000 2.115 762 A HA 0.226 4.551 4.320 0.008 0.000 0.211 762 A C 0.995 178.547 177.584 -0.053 0.000 1.169 762 A CA 0.110 52.127 52.037 -0.035 0.000 0.787 762 A CB 0.132 19.125 19.000 -0.012 0.000 0.858 762 A HN 0.538 nan 8.150 nan 0.000 0.474 763 Q N 0.351 120.096 119.800 -0.092 0.000 2.456 763 Q HA 0.467 4.812 4.340 0.008 0.000 0.252 763 Q C -1.339 174.598 176.000 -0.105 0.000 1.042 763 Q CA -0.143 55.601 55.803 -0.099 0.000 0.766 763 Q CB 1.338 29.998 28.738 -0.130 0.000 1.196 763 Q HN 0.398 nan 8.270 nan 0.000 0.504 764 L N 3.347 124.527 121.223 -0.072 0.000 2.399 764 L HA 0.074 4.418 4.340 0.008 0.000 0.257 764 L C 1.569 178.403 176.870 -0.061 0.000 1.236 764 L CA -0.275 54.528 54.840 -0.061 0.000 1.144 764 L CB -0.013 42.014 42.059 -0.053 0.000 1.379 764 L HN 0.552 nan 8.230 nan 0.000 0.414 765 V N -0.869 119.006 119.914 -0.065 0.000 2.568 765 V HA -0.209 3.916 4.120 0.008 0.000 0.253 765 V C 1.691 177.747 176.094 -0.062 0.000 1.072 765 V CA 1.604 63.864 62.300 -0.066 0.000 1.084 765 V CB -0.428 31.348 31.823 -0.079 0.000 0.676 765 V HN 0.739 nan 8.190 nan 0.000 0.469 766 N N 0.802 119.460 118.700 -0.069 0.000 2.575 766 N HA 0.004 4.749 4.740 0.008 0.000 0.192 766 N C 1.460 176.926 175.510 -0.074 0.000 1.200 766 N CA 0.715 53.722 53.050 -0.072 0.000 0.897 766 N CB -0.196 38.235 38.487 -0.093 0.000 0.990 766 N HN 0.651 nan 8.380 nan 0.000 0.449 767 K N 0.140 120.500 120.400 -0.066 0.000 2.288 767 K HA 0.058 4.382 4.320 0.008 0.000 0.201 767 K C 1.517 178.082 176.600 -0.058 0.000 1.048 767 K CA 0.589 56.840 56.287 -0.061 0.000 0.956 767 K CB 0.213 32.683 32.500 -0.050 0.000 0.746 767 K HN 0.192 nan 8.250 nan 0.000 0.461 768 L N 0.493 121.683 121.223 -0.055 0.000 2.298 768 L HA 0.007 4.352 4.340 0.008 0.000 0.209 768 L C 1.133 177.962 176.870 -0.069 0.000 1.084 768 L CA 0.098 54.905 54.840 -0.054 0.000 0.816 768 L CB -0.514 41.522 42.059 -0.038 0.000 0.967 768 L HN 0.089 nan 8.230 nan 0.000 0.460 769 T N -0.125 114.388 114.554 -0.069 0.000 2.900 769 T HA 0.284 4.638 4.350 0.008 0.000 0.307 769 T C -0.364 174.259 174.700 -0.128 0.000 1.065 769 T CA -0.515 61.533 62.100 -0.086 0.000 1.105 769 T CB 1.416 70.242 68.868 -0.069 0.000 0.979 769 T HN -0.055 nan 8.240 nan 0.000 0.544 770 L N 2.704 123.835 121.223 -0.153 0.000 2.265 770 L HA 0.342 4.686 4.340 0.008 0.000 0.289 770 L C 0.285 177.018 176.870 -0.228 0.000 1.033 770 L CA -0.610 54.128 54.840 -0.170 0.000 0.814 770 L CB 0.757 42.723 42.059 -0.156 0.000 1.203 770 L HN 0.757 nan 8.230 nan 0.000 0.423 771 D N 3.835 124.111 120.400 -0.207 0.000 2.826 771 D HA 0.085 4.729 4.640 0.008 0.000 0.247 771 D C 0.254 176.444 176.300 -0.183 0.000 1.238 771 D CA 0.052 53.921 54.000 -0.218 0.000 0.894 771 D CB -0.313 40.399 40.800 -0.146 0.000 1.100 771 D HN 0.534 nan 8.370 nan 0.000 0.453 772 A N 0.623 123.324 122.820 -0.199 0.000 2.354 772 A HA 0.595 4.920 4.320 0.008 0.000 0.269 772 A C 0.667 178.170 177.584 -0.135 0.000 1.109 772 A CA -0.308 51.641 52.037 -0.146 0.000 0.800 772 A CB 0.590 19.504 19.000 -0.142 0.000 1.045 772 A HN 0.431 nan 8.150 nan 0.000 0.489 773 T N -0.934 113.569 114.554 -0.085 0.000 2.883 773 T HA 0.453 4.808 4.350 0.008 0.000 0.296 773 T C -0.668 173.974 174.700 -0.098 0.000 1.117 773 T CA -0.734 61.307 62.100 -0.099 0.000 1.006 773 T CB 1.374 70.177 68.868 -0.109 0.000 1.191 773 T HN 0.606 nan 8.240 nan 0.000 0.508 774 D N 1.564 121.896 120.400 -0.113 0.000 2.487 774 D HA 0.124 4.768 4.640 0.008 0.000 0.243 774 D C -1.633 174.536 176.300 -0.219 0.000 1.154 774 D CA -1.408 52.475 54.000 -0.193 0.000 0.876 774 D CB 1.392 42.091 40.800 -0.170 0.000 1.161 774 D HN 0.232 nan 8.370 nan 0.000 0.478 775 P HA 0.066 nan 4.420 nan 0.000 0.245 775 P C 1.091 178.271 177.300 -0.199 0.000 1.212 775 P CA 0.416 63.381 63.100 -0.224 0.000 0.774 775 P CB 0.310 31.865 31.700 -0.242 0.000 0.999 776 L N -1.101 119.993 121.223 -0.216 0.000 2.286 776 L HA 0.061 4.406 4.340 0.008 0.000 0.203 776 L C 2.088 178.855 176.870 -0.171 0.000 1.068 776 L CA 1.503 56.239 54.840 -0.173 0.000 0.811 776 L CB -0.819 41.141 42.059 -0.166 0.000 0.989 776 L HN 0.046 nan 8.230 nan 0.000 0.467 777 S N -2.026 113.575 115.700 -0.165 0.000 2.502 777 S HA 0.050 4.524 4.470 0.008 0.000 0.215 777 S C 0.850 175.365 174.600 -0.141 0.000 1.009 777 S CA -0.277 57.846 58.200 -0.128 0.000 0.908 777 S CB 0.299 63.459 63.200 -0.066 0.000 0.801 777 S HN 0.227 nan 8.310 nan 0.000 0.505 778 K N 0.643 120.923 120.400 -0.200 0.000 3.341 778 K HA -0.202 4.122 4.320 0.008 0.000 0.305 778 K C -0.191 176.347 176.600 -0.102 0.000 1.270 778 K CA 1.218 57.338 56.287 -0.278 0.000 0.897 778 K CB -2.316 29.765 32.500 -0.697 0.000 1.264 778 K HN 0.860 nan 8.250 nan 0.000 0.468 779 E N 1.411 121.598 120.200 -0.020 0.000 2.259 779 E HA 0.154 4.509 4.350 0.008 0.000 0.281 779 E C -0.636 175.976 176.600 0.020 0.000 1.037 779 E CA -0.160 56.291 56.400 0.084 0.000 0.854 779 E CB 0.710 30.489 29.700 0.132 0.000 1.051 779 E HN 0.087 nan 8.360 nan 0.000 0.409 780 T N 4.156 118.697 114.554 -0.023 0.000 2.901 780 T HA -0.025 4.330 4.350 0.008 0.000 0.301 780 T C -0.150 174.336 174.700 -0.355 0.000 1.012 780 T CA -0.249 61.636 62.100 -0.357 0.000 1.135 780 T CB 0.574 68.904 68.868 -0.896 0.000 0.936 780 T HN 0.416 nan 8.240 nan 0.000 0.539 781 D N 2.366 122.598 120.400 -0.281 0.000 2.508 781 D HA 0.126 4.770 4.640 0.008 0.000 0.224 781 D C 0.307 176.489 176.300 -0.198 0.000 1.171 781 D CA -0.425 53.496 54.000 -0.132 0.000 1.006 781 D CB -0.308 40.448 40.800 -0.073 0.000 1.073 781 D HN 0.466 nan 8.370 nan 0.000 0.513 782 F N 1.187 121.110 119.950 -0.044 0.000 2.604 782 F HA 0.006 4.537 4.527 0.008 0.000 0.298 782 F C 2.117 177.893 175.800 -0.040 0.000 1.131 782 F CA 0.340 58.286 58.000 -0.090 0.000 1.457 782 F CB 0.320 39.226 39.000 -0.156 0.000 1.095 782 F HN 0.057 nan 8.300 nan 0.000 0.574 783 K N 0.606 121.106 120.400 0.167 0.000 2.417 783 K HA 0.147 4.471 4.320 0.008 0.000 0.196 783 K C -0.128 176.519 176.600 0.080 0.000 1.023 783 K CA 0.299 56.673 56.287 0.145 0.000 1.122 783 K CB 0.136 32.738 32.500 0.170 0.000 0.850 783 K HN 0.169 nan 8.250 nan 0.000 0.521 784 K N 0.631 121.072 120.400 0.067 0.000 2.690 784 K HA 0.105 4.429 4.320 0.008 0.000 0.305 784 K C -1.279 175.418 176.600 0.161 0.000 1.200 784 K CA -0.276 56.065 56.287 0.088 0.000 1.071 784 K CB 0.409 32.898 32.500 -0.018 0.000 1.366 784 K HN 0.236 nan 8.250 nan 0.000 0.513 785 C N -0.574 118.872 119.300 0.243 0.000 3.276 785 C HA 0.937 5.401 4.460 0.008 0.000 0.370 785 C C -1.094 173.983 174.990 0.144 0.000 1.624 785 C CA -0.932 58.177 59.018 0.152 0.000 1.179 785 C CB 0.913 28.660 27.740 0.011 0.000 1.909 785 C HN 0.721 nan 8.230 nan 0.000 0.434 786 A N 0.212 123.026 122.820 -0.011 0.000 2.330 786 A HA 0.889 5.214 4.320 0.008 0.000 0.327 786 A C -0.887 176.690 177.584 -0.012 0.000 1.155 786 A CA -0.475 51.536 52.037 -0.042 0.000 0.803 786 A CB 1.158 20.090 19.000 -0.113 0.000 1.208 786 A HN 1.754 nan 8.150 nan 0.000 0.477 787 V N 1.917 121.896 119.914 0.108 0.000 3.147 787 V HA 0.627 4.752 4.120 0.008 0.000 0.306 787 V C -0.934 175.285 176.094 0.209 0.000 1.209 787 V CA -0.717 61.694 62.300 0.183 0.000 1.023 787 V CB 2.752 34.636 31.823 0.101 0.000 1.059 787 V HN 1.116 nan 8.190 nan 0.000 0.435 788 K N 3.023 123.542 120.400 0.199 0.000 2.395 788 K HA 0.855 5.179 4.320 0.008 0.000 0.247 788 K C -1.791 174.831 176.600 0.037 0.000 0.973 788 K CA -0.889 55.430 56.287 0.053 0.000 0.828 788 K CB 2.344 34.795 32.500 -0.081 0.000 1.272 788 K HN 0.468 nan 8.250 nan 0.000 0.439 789 L N 1.536 122.765 121.223 0.010 0.000 2.325 789 L HA 0.480 4.825 4.340 0.008 0.000 0.278 789 L C -0.175 176.689 176.870 -0.010 0.000 1.023 789 L CA -0.771 54.073 54.840 0.007 0.000 0.811 789 L CB 1.494 43.560 42.059 0.013 0.000 1.249 789 L HN 0.838 nan 8.230 nan 0.000 0.431 790 E N 1.672 121.867 120.200 -0.008 0.000 2.336 790 E HA 0.503 4.858 4.350 0.008 0.000 0.267 790 E C -1.327 175.267 176.600 -0.010 0.000 0.906 790 E CA -1.085 55.306 56.400 -0.015 0.000 0.781 790 E CB 2.397 32.085 29.700 -0.020 0.000 1.261 790 E HN 0.399 nan 8.360 nan 0.000 0.436 791 K N 0.000 120.393 120.400 -0.012 0.000 2.780 791 K HA 0.000 4.325 4.320 0.008 0.000 0.191 791 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 791 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 791 K HN 0.000 nan 8.250 nan 0.000 0.543