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 1vcm_1_A DATA FIRST_RESID 10 DATA SEQUENCE RPRKYVFITG GVVSSLGKGI LTSSLGALLR ARGYRVTAIK IDPYVNVDAG DATA SEQUENCE TMRPYEHGEV FVTADGAETD LDIGHYERFL DMDLSRGNNL TTGQVYLSVI DATA SEQUENCE QKERRGEYLS QTVQVIPHIT DEIKERIRKV AEEQKAEIVV VEVGGTVGDI DATA SEQUENCE ESLPFLEAIR QFRFDEGEGN TLYLHLTLVP YLXXSEEFKT KPTQHSVATL DATA SEQUENCE RGVGIQPDIL VLRSARPVPE EVRRKVALFT NVRPGHVFSS PTVEHLYEVP DATA SEQUENCE LLLEEQGLGR AVERALGLEA VIPNLSFWQE AVRVLKHPER TVKIAIAGKY DATA SEQUENCE VXXPDAYLSL LEALRHAGIK NRARVEVKWV DAESXXAADL DEAFRDVSGI DATA SEQUENCE LVPGGFXXRG IEGKVRAAQY ARERKIPYLG ICLGLQIAVI EFARNVAGLK DATA SEQUENCE GANSTEFDPH TPHPVIDLMP EQLEVEGLGG TMRLGDWPMR IKPGTLLHRL DATA SEQUENCE YGKEEVLERH RHRYEVNPLY VDGLERAGLV VSATTPGMRG RGAGLVEAIE DATA SEQUENCE LKDHPFFLGL QSHPEFKSRP MRPSPPFVGF VEAALAYQE 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.305 176.300 0.008 0.000 0.893 10 R CA 0.000 56.108 56.100 0.013 0.000 0.921 10 R CB 0.000 30.312 30.300 0.019 0.000 0.687 11 P HA 0.138 nan 4.420 nan 0.000 0.271 11 P C -0.790 176.498 177.300 -0.019 0.000 1.216 11 P CA -0.429 62.679 63.100 0.012 0.000 0.776 11 P CB 0.974 32.688 31.700 0.024 0.000 0.881 12 R N 2.249 122.734 120.500 -0.025 0.000 2.490 12 R HA 0.180 4.521 4.340 0.002 0.000 0.280 12 R C -0.145 176.030 176.300 -0.209 0.000 1.077 12 R CA -0.438 55.574 56.100 -0.147 0.000 1.065 12 R CB 0.550 30.742 30.300 -0.180 0.000 1.003 12 R HN 0.327 nan 8.270 nan 0.000 0.470 13 K N 3.668 123.856 120.400 -0.353 0.000 2.138 13 K HA 0.243 4.564 4.320 0.002 0.000 0.263 13 K C -1.233 175.014 176.600 -0.588 0.000 0.965 13 K CA -0.529 55.567 56.287 -0.318 0.000 0.868 13 K CB 1.511 33.843 32.500 -0.279 0.000 1.083 13 K HN 0.493 nan 8.250 nan 0.000 0.443 14 Y N -0.084 120.032 120.300 -0.307 0.000 2.350 14 Y HA 0.322 4.873 4.550 0.001 0.000 0.338 14 Y C -0.115 175.327 175.900 -0.762 0.000 0.961 14 Y CA -0.990 56.733 58.100 -0.628 0.000 1.100 14 Y CB 1.939 39.907 38.460 -0.821 0.000 1.179 14 Y HN 0.083 nan 8.280 nan 0.000 0.454 15 V N 5.295 124.800 119.914 -0.682 0.000 2.350 15 V HA 0.369 4.490 4.120 0.002 0.000 0.285 15 V C -0.726 174.980 176.094 -0.647 0.000 1.014 15 V CA -0.989 60.986 62.300 -0.541 0.000 0.831 15 V CB 0.223 31.834 31.823 -0.354 0.000 1.000 15 V HN 0.516 nan 8.190 nan 0.000 0.433 16 F N 4.949 124.688 119.950 -0.352 0.000 2.399 16 F HA 0.653 5.181 4.527 0.001 0.000 0.334 16 F C 0.286 175.997 175.800 -0.148 0.000 1.097 16 F CA -0.618 57.207 58.000 -0.292 0.000 1.076 16 F CB 1.356 40.097 39.000 -0.433 0.000 1.162 16 F HN 0.237 nan 8.300 nan 0.000 0.495 17 I N 2.252 122.877 120.570 0.092 0.000 2.447 17 I HA 0.354 4.525 4.170 0.002 0.000 0.287 17 I C -0.440 175.746 176.117 0.115 0.000 1.023 17 I CA -0.512 60.833 61.300 0.075 0.000 1.083 17 I CB 2.092 40.085 38.000 -0.012 0.000 1.245 17 I HN 0.656 nan 8.210 nan 0.000 0.434 18 T N 1.671 116.334 114.554 0.182 0.000 2.942 18 T HA 0.852 5.203 4.350 0.002 0.000 0.289 18 T C -0.147 174.656 174.700 0.173 0.000 1.044 18 T CA -0.912 61.322 62.100 0.223 0.000 1.023 18 T CB 2.191 71.255 68.868 0.325 0.000 1.123 18 T HN 0.669 nan 8.240 nan 0.000 0.512 19 G N -1.232 107.640 108.800 0.121 0.000 2.519 19 G HA2 0.736 4.697 3.960 0.002 0.000 0.307 19 G HA3 0.736 4.697 3.960 0.002 0.000 0.307 19 G C -0.555 174.359 174.900 0.023 0.000 1.266 19 G CA -0.712 44.358 45.100 -0.050 0.000 0.970 19 G HN 1.058 nan 8.290 nan 0.000 0.481 20 G N -1.735 106.979 108.800 -0.143 0.000 2.725 20 G HA2 0.669 4.630 3.960 0.002 0.000 0.288 20 G HA3 0.669 4.630 3.960 0.002 0.000 0.288 20 G C 0.384 175.302 174.900 0.030 0.000 1.399 20 G CA 0.257 45.394 45.100 0.060 0.000 0.859 20 G HN 1.588 nan 8.290 nan 0.000 0.479 21 V N -2.360 117.602 119.914 0.081 0.000 0.542 21 V HA -0.313 3.808 4.120 0.002 0.000 0.092 21 V C 1.033 177.152 176.094 0.042 0.000 2.107 21 V CA 2.737 65.073 62.300 0.060 0.000 3.514 21 V CB -2.262 29.586 31.823 0.042 0.000 0.805 21 V HN 2.294 nan 8.190 nan 0.000 0.840 22 V N -2.732 117.197 119.914 0.025 0.000 3.206 22 V HA 0.986 5.107 4.120 0.002 0.000 0.305 22 V C -0.080 176.021 176.094 0.011 0.000 1.257 22 V CA 0.137 62.449 62.300 0.020 0.000 1.057 22 V CB 1.949 33.781 31.823 0.015 0.000 1.075 22 V HN 1.497 nan 8.190 nan 0.000 0.443 23 S N -0.011 115.696 115.700 0.012 0.000 2.666 23 S HA 0.632 5.103 4.470 0.002 0.000 0.279 23 S C 0.686 175.286 174.600 -0.001 0.000 1.149 23 S CA 0.143 58.346 58.200 0.006 0.000 1.020 23 S CB 0.937 64.144 63.200 0.012 0.000 1.127 23 S HN 2.774 nan 8.310 nan 0.000 0.537 24 S N -0.954 114.743 115.700 -0.005 0.000 3.749 24 S HA -0.105 4.366 4.470 0.002 0.000 0.348 24 S C 0.108 174.698 174.600 -0.016 0.000 1.045 24 S CA 0.593 58.788 58.200 -0.009 0.000 1.051 24 S CB -2.246 60.952 63.200 -0.002 0.000 0.898 24 S HN 0.666 nan 8.310 nan 0.000 0.472 25 L N 0.515 121.722 121.223 -0.026 0.000 2.728 25 L HA 0.386 4.727 4.340 0.002 0.000 0.238 25 L C 1.734 178.575 176.870 -0.049 0.000 1.143 25 L CA 0.274 55.094 54.840 -0.033 0.000 0.937 25 L CB -0.009 42.028 42.059 -0.038 0.000 1.225 25 L HN 0.778 nan 8.230 nan 0.000 0.507 26 G N 1.162 109.928 108.800 -0.057 0.000 2.171 26 G HA2 -0.321 3.640 3.960 0.002 0.000 0.238 26 G HA3 -0.321 3.640 3.960 0.002 0.000 0.238 26 G C 0.844 175.680 174.900 -0.108 0.000 1.039 26 G CA 0.636 45.683 45.100 -0.089 0.000 0.759 26 G HN 0.372 nan 8.290 nan 0.000 0.501 27 K N -0.152 120.200 120.400 -0.080 0.000 2.209 27 K HA 0.004 4.325 4.320 0.002 0.000 0.204 27 K C 2.684 179.239 176.600 -0.076 0.000 1.048 27 K CA 1.917 58.161 56.287 -0.073 0.000 0.940 27 K CB -0.521 31.952 32.500 -0.044 0.000 0.729 27 K HN 0.472 nan 8.250 nan 0.000 0.451 28 G N 0.939 109.690 108.800 -0.082 0.000 2.408 28 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 28 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 28 G C 1.309 176.099 174.900 -0.183 0.000 1.150 28 G CA 0.386 45.450 45.100 -0.060 0.000 0.776 28 G HN 0.166 nan 8.290 nan 0.000 0.542 29 I N 0.535 120.904 120.570 -0.335 0.000 2.546 29 I HA 0.019 4.190 4.170 0.002 0.000 0.255 29 I C 2.475 178.340 176.117 -0.420 0.000 1.163 29 I CA 0.403 61.400 61.300 -0.504 0.000 1.457 29 I CB -0.814 36.933 38.000 -0.422 0.000 1.092 29 I HN 0.137 nan 8.210 nan 0.000 0.434 30 L N 0.891 121.956 121.223 -0.263 0.000 2.027 30 L HA -0.144 4.197 4.340 0.002 0.000 0.206 30 L C 2.440 179.170 176.870 -0.233 0.000 1.074 30 L CA 2.050 56.758 54.840 -0.220 0.000 0.745 30 L CB -0.998 40.972 42.059 -0.148 0.000 0.898 30 L HN 0.123 nan 8.230 nan 0.000 0.433 31 T N -0.797 113.642 114.554 -0.192 0.000 2.684 31 T HA -0.159 4.192 4.350 0.002 0.000 0.267 31 T C 1.952 176.475 174.700 -0.296 0.000 1.036 31 T CA 1.723 63.691 62.100 -0.221 0.000 1.148 31 T CB -0.403 68.367 68.868 -0.164 0.000 0.863 31 T HN 0.412 nan 8.240 nan 0.000 0.436 32 S N 1.521 117.050 115.700 -0.285 0.000 2.356 32 S HA -0.100 4.371 4.470 0.002 0.000 0.223 32 S C 2.509 176.865 174.600 -0.408 0.000 1.032 32 S CA 1.206 59.198 58.200 -0.346 0.000 1.005 32 S CB -0.440 62.369 63.200 -0.652 0.000 0.867 32 S HN 0.435 nan 8.310 nan 0.000 0.449 33 S N 1.456 116.841 115.700 -0.526 0.000 2.382 33 S HA -0.009 4.462 4.470 0.002 0.000 0.228 33 S C 1.775 176.232 174.600 -0.238 0.000 1.027 33 S CA 0.803 58.787 58.200 -0.360 0.000 0.991 33 S CB -0.351 62.644 63.200 -0.342 0.000 0.823 33 S HN 0.344 nan 8.310 nan 0.000 0.469 34 L N 2.046 123.129 121.223 -0.234 0.000 2.109 34 L HA 0.159 4.500 4.340 0.002 0.000 0.207 34 L C 2.183 178.955 176.870 -0.164 0.000 1.086 34 L CA 1.723 56.442 54.840 -0.201 0.000 0.760 34 L CB -1.284 40.647 42.059 -0.213 0.000 0.910 34 L HN 0.274 nan 8.230 nan 0.000 0.437 35 G N -0.850 107.847 108.800 -0.172 0.000 2.418 35 G HA2 -0.245 3.716 3.960 0.002 0.000 0.217 35 G HA3 -0.245 3.716 3.960 0.002 0.000 0.217 35 G C 1.589 176.476 174.900 -0.021 0.000 1.158 35 G CA 0.768 45.794 45.100 -0.124 0.000 0.771 35 G HN 0.608 nan 8.290 nan 0.000 0.545 36 A N 0.330 123.164 122.820 0.023 0.000 1.898 36 A HA 0.108 4.429 4.320 0.002 0.000 0.216 36 A C 2.336 179.973 177.584 0.088 0.000 1.181 36 A CA 1.330 53.445 52.037 0.130 0.000 0.620 36 A CB -0.407 18.658 19.000 0.107 0.000 0.819 36 A HN 0.283 nan 8.150 nan 0.000 0.442 37 L N -0.268 120.945 121.223 -0.016 0.000 2.079 37 L HA -0.145 4.196 4.340 0.002 0.000 0.210 37 L C 2.456 179.348 176.870 0.036 0.000 1.081 37 L CA 1.475 56.309 54.840 -0.011 0.000 0.752 37 L CB -0.741 41.269 42.059 -0.081 0.000 0.896 37 L HN 0.384 nan 8.230 nan 0.000 0.433 38 L N -1.643 119.592 121.223 0.019 0.000 2.109 38 L HA -0.145 4.195 4.340 0.002 0.000 0.207 38 L C 2.693 179.657 176.870 0.156 0.000 1.086 38 L CA 0.814 55.701 54.840 0.077 0.000 0.760 38 L CB -0.453 41.584 42.059 -0.036 0.000 0.910 38 L HN 0.207 nan 8.230 nan 0.000 0.437 39 R N 0.282 120.846 120.500 0.106 0.000 2.092 39 R HA -0.050 4.291 4.340 0.002 0.000 0.231 39 R C 2.192 178.548 176.300 0.094 0.000 1.119 39 R CA 1.213 57.374 56.100 0.102 0.000 0.970 39 R CB -0.398 29.962 30.300 0.100 0.000 0.864 39 R HN 0.286 nan 8.270 nan 0.000 0.440 40 A N 0.942 123.836 122.820 0.123 0.000 2.259 40 A HA -0.100 4.221 4.320 0.002 0.000 0.212 40 A C 1.615 179.234 177.584 0.058 0.000 1.178 40 A CA 0.898 53.003 52.037 0.113 0.000 0.734 40 A CB -0.217 18.885 19.000 0.170 0.000 0.774 40 A HN 0.208 nan 8.150 nan 0.000 0.481 41 R N -1.999 118.532 120.500 0.051 0.000 2.437 41 R HA 0.266 4.607 4.340 0.002 0.000 0.257 41 R C 1.207 177.400 176.300 -0.179 0.000 0.927 41 R CA 0.540 56.628 56.100 -0.021 0.000 1.078 41 R CB 0.325 30.676 30.300 0.084 0.000 1.161 41 R HN 0.598 nan 8.270 nan 0.000 0.529 42 G N 0.227 108.963 108.800 -0.108 0.000 2.176 42 G HA2 -0.309 3.652 3.960 0.002 0.000 0.253 42 G HA3 -0.309 3.652 3.960 0.002 0.000 0.253 42 G C -0.173 174.625 174.900 -0.171 0.000 0.979 42 G CA -0.156 44.849 45.100 -0.157 0.000 0.641 42 G HN 0.216 nan 8.290 nan 0.000 0.530 43 Y N 0.505 120.787 120.300 -0.031 0.000 2.314 43 Y HA 0.565 5.116 4.550 0.001 0.000 0.334 43 Y C 1.175 177.046 175.900 -0.047 0.000 1.266 43 Y CA 0.451 58.523 58.100 -0.045 0.000 1.391 43 Y CB 0.518 38.941 38.460 -0.061 0.000 1.306 43 Y HN 0.508 nan 8.280 nan 0.000 0.558 44 R N 1.774 122.355 120.500 0.134 0.000 2.202 44 R HA 0.670 5.011 4.340 0.002 0.000 0.334 44 R C -1.203 175.104 176.300 0.011 0.000 1.036 44 R CA -0.512 55.615 56.100 0.046 0.000 0.878 44 R CB -0.318 29.995 30.300 0.021 0.000 1.067 44 R HN 0.578 nan 8.270 nan 0.000 0.457 45 V N 0.550 120.457 119.914 -0.011 0.000 3.113 45 V HA 0.905 5.026 4.120 0.002 0.000 0.316 45 V C 0.322 176.371 176.094 -0.076 0.000 1.125 45 V CA -0.623 61.636 62.300 -0.069 0.000 1.026 45 V CB 2.435 34.217 31.823 -0.068 0.000 1.080 45 V HN 0.963 nan 8.190 nan 0.000 0.444 46 T N 0.278 114.758 114.554 -0.124 0.000 2.840 46 T HA 0.745 5.096 4.350 0.002 0.000 0.317 46 T C -1.699 172.886 174.700 -0.191 0.000 1.401 46 T CA 0.221 62.253 62.100 -0.113 0.000 1.028 46 T CB 1.711 70.534 68.868 -0.075 0.000 1.317 46 T HN 1.331 nan 8.240 nan 0.000 0.495 47 A N 2.776 125.472 122.820 -0.208 0.000 2.414 47 A HA 0.886 5.207 4.320 0.002 0.000 0.306 47 A C -1.261 176.224 177.584 -0.165 0.000 1.054 47 A CA -0.650 51.165 52.037 -0.371 0.000 0.724 47 A CB 1.019 19.475 19.000 -0.906 0.000 1.267 47 A HN 0.778 nan 8.150 nan 0.000 0.418 48 I N 1.466 121.964 120.570 -0.121 0.000 2.436 48 I HA 0.363 4.534 4.170 0.002 0.000 0.289 48 I C -0.367 175.808 176.117 0.097 0.000 1.010 48 I CA -0.802 60.517 61.300 0.033 0.000 1.098 48 I CB 2.214 40.221 38.000 0.011 0.000 1.266 48 I HN 0.595 nan 8.210 nan 0.000 0.434 49 K N 7.564 128.074 120.400 0.183 0.000 2.263 49 K HA 0.523 4.843 4.320 0.002 0.000 0.272 49 K C -1.052 175.507 176.600 -0.069 0.000 1.033 49 K CA -0.085 56.267 56.287 0.107 0.000 0.884 49 K CB 0.598 33.130 32.500 0.054 0.000 1.107 49 K HN 0.513 nan 8.250 nan 0.000 0.460 50 I N 3.831 124.310 120.570 -0.152 0.000 2.342 50 I HA 0.187 4.358 4.170 0.002 0.000 0.291 50 I C -0.316 175.540 176.117 -0.435 0.000 1.010 50 I CA -0.263 60.819 61.300 -0.364 0.000 1.308 50 I CB 1.128 38.819 38.000 -0.515 0.000 1.400 50 I HN 0.531 nan 8.210 nan 0.000 0.488 51 D N 8.956 129.030 120.400 -0.542 0.000 2.453 51 D HA 0.231 4.872 4.640 0.002 0.000 0.238 51 D C -1.921 173.995 176.300 -0.641 0.000 1.088 51 D CA -1.261 52.342 54.000 -0.662 0.000 0.854 51 D CB 2.169 42.341 40.800 -1.046 0.000 1.076 51 D HN 0.214 nan 8.370 nan 0.000 0.533 52 P HA -0.109 nan 4.420 nan 0.000 0.234 52 P C 0.060 177.397 177.300 0.062 0.000 1.162 52 P CA 0.707 63.763 63.100 -0.074 0.000 0.759 52 P CB -0.284 31.436 31.700 0.033 0.000 0.813 53 Y N -3.004 117.314 120.300 0.030 0.000 2.385 53 Y HA 0.141 4.692 4.550 0.001 0.000 0.346 53 Y C 1.496 177.420 175.900 0.041 0.000 1.270 53 Y CA -1.275 56.842 58.100 0.028 0.000 1.472 53 Y CB -0.651 37.813 38.460 0.007 0.000 1.354 53 Y HN -0.389 nan 8.280 nan 0.000 0.611 54 V N 0.639 120.721 119.914 0.281 0.000 3.041 54 V HA -0.153 3.968 4.120 0.002 0.000 0.260 54 V C 0.679 176.884 176.094 0.184 0.000 1.105 54 V CA 0.399 62.797 62.300 0.163 0.000 1.125 54 V CB -1.112 30.742 31.823 0.051 0.000 0.730 54 V HN 0.765 nan 8.190 nan 0.000 0.479 55 N N 0.692 119.505 118.700 0.189 0.000 2.412 55 N HA -0.003 4.738 4.740 0.002 0.000 0.254 55 N C 1.090 176.737 175.510 0.227 0.000 1.232 55 N CA 0.002 53.104 53.050 0.087 0.000 0.880 55 N CB 2.131 40.491 38.487 -0.212 0.000 1.076 55 N HN 0.056 nan 8.380 nan 0.000 0.458 56 V N 1.126 121.125 119.914 0.142 0.000 2.427 56 V HA -0.197 3.924 4.120 0.002 0.000 0.248 56 V C 0.524 176.714 176.094 0.160 0.000 1.051 56 V CA 1.748 64.136 62.300 0.147 0.000 1.048 56 V CB -0.718 31.166 31.823 0.102 0.000 0.666 56 V HN 0.863 nan 8.190 nan 0.000 0.456 57 D N -3.157 117.330 120.400 0.145 0.000 2.692 57 D HA 0.417 5.058 4.640 0.002 0.000 0.290 57 D C 0.046 176.403 176.300 0.094 0.000 1.281 57 D CA 0.026 54.111 54.000 0.140 0.000 0.804 57 D CB 1.071 41.923 40.800 0.086 0.000 1.331 57 D HN -0.056 nan 8.370 nan 0.000 0.432 58 A N -0.328 122.538 122.820 0.077 0.000 2.265 58 A HA 0.419 4.740 4.320 0.002 0.000 0.213 58 A C 1.730 179.302 177.584 -0.020 0.000 1.255 58 A CA 0.896 52.936 52.037 0.005 0.000 0.862 58 A CB -1.369 17.640 19.000 0.016 0.000 0.852 58 A HN 0.620 nan 8.150 nan 0.000 0.484 59 G N 0.252 109.052 108.800 -0.000 0.000 2.418 59 G HA2 -0.201 3.760 3.960 0.002 0.000 0.217 59 G HA3 -0.201 3.760 3.960 0.002 0.000 0.217 59 G C 1.518 176.414 174.900 -0.006 0.000 1.158 59 G CA 1.631 46.731 45.100 0.001 0.000 0.771 59 G HN 0.716 nan 8.290 nan 0.000 0.545 60 T N -1.431 113.112 114.554 -0.017 0.000 3.219 60 T HA 0.474 4.825 4.350 0.002 0.000 0.249 60 T C 0.871 175.550 174.700 -0.035 0.000 1.099 60 T CA -0.222 61.867 62.100 -0.018 0.000 0.988 60 T CB -0.196 68.661 68.868 -0.018 0.000 0.999 60 T HN 0.126 nan 8.240 nan 0.000 0.550 61 M N 1.367 120.935 119.600 -0.053 0.000 2.444 61 M HA 0.563 5.043 4.480 0.002 0.000 0.319 61 M C 0.826 177.099 176.300 -0.045 0.000 1.183 61 M CA -0.998 54.261 55.300 -0.069 0.000 1.032 61 M CB 0.906 33.438 32.600 -0.113 0.000 1.569 61 M HN 0.120 nan 8.290 nan 0.000 0.468 62 R N 2.609 123.084 120.500 -0.042 0.000 2.446 62 R HA 0.132 4.473 4.340 0.002 0.000 0.314 62 R C -1.963 174.295 176.300 -0.070 0.000 1.003 62 R CA -0.992 55.094 56.100 -0.023 0.000 1.018 62 R CB -1.774 28.514 30.300 -0.021 0.000 0.945 62 R HN 0.586 nan 8.270 nan 0.000 0.419 63 P HA -0.185 nan 4.420 nan 0.000 0.220 63 P C -0.106 176.874 177.300 -0.534 0.000 1.144 63 P CA 1.652 64.616 63.100 -0.227 0.000 0.800 63 P CB 0.142 31.778 31.700 -0.107 0.000 0.772 64 Y N -1.445 118.635 120.300 -0.367 0.000 2.912 64 Y HA 0.149 4.700 4.550 0.001 0.000 0.250 64 Y C 2.593 178.155 175.900 -0.563 0.000 1.073 64 Y CA -0.112 57.622 58.100 -0.610 0.000 1.275 64 Y CB -0.948 36.784 38.460 -1.214 0.000 1.470 64 Y HN -0.165 nan 8.280 nan 0.000 0.447 65 E N 1.348 121.325 120.200 -0.371 0.000 2.242 65 E HA -0.392 3.959 4.350 0.002 0.000 0.247 65 E C 1.321 177.861 176.600 -0.101 0.000 1.056 65 E CA 2.629 58.936 56.400 -0.154 0.000 0.999 65 E CB -0.678 29.004 29.700 -0.029 0.000 0.891 65 E HN 0.642 nan 8.360 nan 0.000 0.512 66 H N -0.529 118.492 119.070 -0.083 0.000 2.713 66 H HA 0.559 5.116 4.556 0.002 0.000 0.294 66 H C 0.478 175.760 175.328 -0.077 0.000 1.366 66 H CA 0.371 56.380 56.048 -0.064 0.000 1.139 66 H CB -0.684 29.050 29.762 -0.047 0.000 1.487 66 H HN 0.808 nan 8.280 nan 0.000 0.504 67 G N 0.384 109.122 108.800 -0.104 0.000 2.674 67 G HA2 -0.037 3.924 3.960 0.002 0.000 0.686 67 G HA3 -0.037 3.924 3.960 0.002 0.000 0.686 67 G C -0.230 174.587 174.900 -0.138 0.000 1.195 67 G CA -0.398 44.644 45.100 -0.097 0.000 0.776 67 G HN 1.140 nan 8.290 nan 0.000 0.654 68 E N 0.011 120.132 120.200 -0.131 0.000 2.383 68 E HA 0.478 4.829 4.350 0.002 0.000 0.264 68 E C -0.210 176.313 176.600 -0.127 0.000 1.050 68 E CA -0.775 55.526 56.400 -0.166 0.000 0.896 68 E CB 1.338 30.993 29.700 -0.074 0.000 0.982 68 E HN 0.577 nan 8.360 nan 0.000 0.424 69 V N 5.411 125.219 119.914 -0.178 0.000 2.328 69 V HA 0.193 4.314 4.120 0.002 0.000 0.278 69 V C -0.297 175.703 176.094 -0.157 0.000 1.021 69 V CA -0.622 61.599 62.300 -0.131 0.000 0.838 69 V CB 0.191 31.926 31.823 -0.148 0.000 0.999 69 V HN 0.646 nan 8.190 nan 0.000 0.447 70 F N 5.845 125.603 119.950 -0.319 0.000 2.444 70 F HA 0.536 5.064 4.527 0.002 0.000 0.331 70 F C 0.100 175.531 175.800 -0.615 0.000 1.167 70 F CA 0.130 57.788 58.000 -0.570 0.000 1.262 70 F CB 1.098 39.859 39.000 -0.397 0.000 1.196 70 F HN 0.234 nan 8.300 nan 0.000 0.583 71 V N 3.366 122.271 119.914 -1.681 0.000 2.525 71 V HA 0.300 4.421 4.120 0.002 0.000 0.299 71 V C -0.310 175.242 176.094 -0.902 0.000 1.034 71 V CA -0.731 60.993 62.300 -0.960 0.000 0.863 71 V CB 1.655 33.060 31.823 -0.696 0.000 0.999 71 V HN 0.938 nan 8.190 nan 0.000 0.423 72 T N 1.712 116.083 114.554 -0.305 0.000 2.874 72 T HA 0.559 4.910 4.350 0.002 0.000 0.281 72 T C 1.500 176.180 174.700 -0.033 0.000 0.994 72 T CA 0.117 62.172 62.100 -0.076 0.000 1.015 72 T CB 1.699 70.616 68.868 0.082 0.000 1.028 72 T HN 0.863 nan 8.240 nan 0.000 0.523 73 A N 1.308 124.151 122.820 0.037 0.000 1.997 73 A HA -0.158 4.163 4.320 0.002 0.000 0.221 73 A C 1.866 179.482 177.584 0.053 0.000 1.172 73 A CA 1.863 53.937 52.037 0.062 0.000 0.645 73 A CB -0.963 18.082 19.000 0.074 0.000 0.813 73 A HN 0.979 nan 8.150 nan 0.000 0.454 74 D N -2.080 118.345 120.400 0.042 0.000 2.328 74 D HA 0.255 4.896 4.640 0.002 0.000 0.226 74 D C 1.093 177.416 176.300 0.038 0.000 1.066 74 D CA 0.836 54.856 54.000 0.032 0.000 0.861 74 D CB -0.660 40.158 40.800 0.031 0.000 0.912 74 D HN 0.861 nan 8.370 nan 0.000 0.521 75 G N -0.095 108.732 108.800 0.046 0.000 2.143 75 G HA2 -0.145 3.816 3.960 0.002 0.000 0.249 75 G HA3 -0.145 3.816 3.960 0.002 0.000 0.249 75 G C 0.416 175.332 174.900 0.027 0.000 0.981 75 G CA 0.066 45.200 45.100 0.058 0.000 0.665 75 G HN 0.800 nan 8.290 nan 0.000 0.528 76 A N -0.142 122.683 122.820 0.009 0.000 2.354 76 A HA 0.671 4.992 4.320 0.002 0.000 0.269 76 A C 0.290 177.858 177.584 -0.027 0.000 1.109 76 A CA -0.052 51.991 52.037 0.010 0.000 0.800 76 A CB 0.448 19.467 19.000 0.031 0.000 1.045 76 A HN 0.442 nan 8.150 nan 0.000 0.489 77 E N 1.455 121.648 120.200 -0.013 0.000 2.055 77 E HA 0.400 4.751 4.350 0.002 0.000 0.274 77 E C 0.146 176.747 176.600 0.001 0.000 0.949 77 E CA -0.300 56.078 56.400 -0.038 0.000 0.775 77 E CB 1.218 30.904 29.700 -0.024 0.000 1.097 77 E HN 0.790 nan 8.360 nan 0.000 0.404 78 T N -0.826 113.732 114.554 0.007 0.000 2.807 78 T HA 0.250 4.601 4.350 0.002 0.000 0.277 78 T C 0.038 174.759 174.700 0.035 0.000 1.006 78 T CA -1.042 61.084 62.100 0.044 0.000 1.006 78 T CB 1.531 70.434 68.868 0.058 0.000 1.274 78 T HN 0.277 nan 8.240 nan 0.000 0.569 79 D N 0.035 120.451 120.400 0.027 0.000 2.368 79 D HA 0.024 4.665 4.640 0.002 0.000 0.240 79 D C 1.478 177.727 176.300 -0.086 0.000 1.169 79 D CA -0.427 53.574 54.000 0.002 0.000 0.906 79 D CB 0.991 41.786 40.800 -0.008 0.000 1.187 79 D HN 0.539 nan 8.370 nan 0.000 0.435 80 L N 0.778 121.940 121.223 -0.102 0.000 2.353 80 L HA -0.036 4.305 4.340 0.002 0.000 0.220 80 L C 1.421 178.067 176.870 -0.374 0.000 1.133 80 L CA 1.131 55.858 54.840 -0.189 0.000 0.798 80 L CB -0.677 41.299 42.059 -0.138 0.000 0.922 80 L HN 0.220 nan 8.230 nan 0.000 0.445 81 D N 0.903 121.106 120.400 -0.329 0.000 2.178 81 D HA -0.141 4.500 4.640 0.002 0.000 0.201 81 D C 2.287 178.043 176.300 -0.908 0.000 0.980 81 D CA 1.197 54.909 54.000 -0.481 0.000 0.842 81 D CB -0.010 40.491 40.800 -0.498 0.000 0.948 81 D HN 0.341 nan 8.370 nan 0.000 0.472 82 I N 1.021 121.132 120.570 -0.764 0.000 2.248 82 I HA -0.181 3.990 4.170 0.002 0.000 0.248 82 I C 2.522 178.107 176.117 -0.886 0.000 1.107 82 I CA 1.161 62.051 61.300 -0.683 0.000 1.373 82 I CB -1.566 36.236 38.000 -0.331 0.000 1.055 82 I HN -0.011 nan 8.210 nan 0.000 0.418 83 G N -0.256 107.749 108.800 -1.326 0.000 2.408 83 G HA2 -0.224 3.736 3.960 0.002 0.000 0.217 83 G HA3 -0.224 3.736 3.960 0.002 0.000 0.217 83 G C 1.558 176.179 174.900 -0.464 0.000 1.150 83 G CA 0.397 44.632 45.100 -1.441 0.000 0.776 83 G HN 0.376 nan 8.290 nan 0.000 0.542 84 H N -0.462 118.435 119.070 -0.288 0.000 2.353 84 H HA -0.039 4.518 4.556 0.002 0.000 0.300 84 H C 2.421 177.882 175.328 0.222 0.000 1.090 84 H CA 1.189 57.255 56.048 0.031 0.000 1.327 84 H CB -0.271 29.443 29.762 -0.079 0.000 1.383 84 H HN 0.341 nan 8.280 nan 0.000 0.508 85 Y N 1.466 121.803 120.300 0.062 0.000 2.114 85 Y HA -0.139 4.412 4.550 0.001 0.000 0.284 85 Y C 2.564 178.513 175.900 0.082 0.000 1.143 85 Y CA 0.575 58.700 58.100 0.042 0.000 1.135 85 Y CB -0.804 37.633 38.460 -0.038 0.000 0.980 85 Y HN 0.278 nan 8.280 nan 0.000 0.499 86 E N -0.004 120.296 120.200 0.168 0.000 2.085 86 E HA -0.221 4.130 4.350 0.002 0.000 0.194 86 E C 2.320 179.020 176.600 0.166 0.000 0.994 86 E CA 1.201 57.685 56.400 0.139 0.000 0.801 86 E CB -0.219 29.548 29.700 0.112 0.000 0.743 86 E HN 0.462 nan 8.360 nan 0.000 0.453 87 R N -0.223 120.398 120.500 0.201 0.000 2.075 87 R HA -0.099 4.242 4.340 0.002 0.000 0.232 87 R C 2.204 178.614 176.300 0.183 0.000 1.126 87 R CA 1.226 57.429 56.100 0.172 0.000 0.963 87 R CB -0.253 30.194 30.300 0.245 0.000 0.858 87 R HN 0.146 nan 8.270 nan 0.000 0.435 88 F N 0.468 120.553 119.950 0.226 0.000 2.293 88 F HA 0.010 4.538 4.527 0.001 0.000 0.297 88 F C 1.984 177.923 175.800 0.232 0.000 1.089 88 F CA 0.885 59.050 58.000 0.274 0.000 1.377 88 F CB 0.025 39.092 39.000 0.112 0.000 1.051 88 F HN -0.085 nan 8.300 nan 0.000 0.511 89 L N -0.854 120.553 121.223 0.306 0.000 2.529 89 L HA 0.049 4.390 4.340 0.002 0.000 0.223 89 L C 0.097 177.034 176.870 0.112 0.000 1.113 89 L CA 0.253 55.198 54.840 0.175 0.000 0.861 89 L CB -0.524 41.596 42.059 0.102 0.000 1.012 89 L HN 0.057 nan 8.230 nan 0.000 0.461 90 D N 1.969 122.427 120.400 0.097 0.000 2.812 90 D HA -0.205 4.436 4.640 0.002 0.000 0.237 90 D C -0.224 176.094 176.300 0.030 0.000 1.162 90 D CA 0.889 54.899 54.000 0.017 0.000 0.740 90 D CB -0.546 40.217 40.800 -0.061 0.000 1.000 90 D HN 0.476 nan 8.370 nan 0.000 0.416 91 M N -1.318 118.320 119.600 0.064 0.000 2.643 91 M HA 0.495 4.976 4.480 0.002 0.000 0.276 91 M C -1.656 174.700 176.300 0.092 0.000 1.200 91 M CA -1.032 54.306 55.300 0.062 0.000 0.863 91 M CB 1.555 34.185 32.600 0.049 0.000 1.711 91 M HN -0.263 nan 8.290 nan 0.000 0.492 92 D N 2.658 123.110 120.400 0.086 0.000 2.277 92 D HA 0.652 5.293 4.640 0.002 0.000 0.249 92 D C -0.703 175.658 176.300 0.101 0.000 1.134 92 D CA 0.105 54.170 54.000 0.108 0.000 0.863 92 D CB 1.127 41.980 40.800 0.089 0.000 1.143 92 D HN 0.495 nan 8.370 nan 0.000 0.458 93 L N 1.014 122.315 121.223 0.130 0.000 2.335 93 L HA 0.605 4.946 4.340 0.002 0.000 0.268 93 L C 0.737 177.672 176.870 0.109 0.000 1.016 93 L CA -0.736 54.173 54.840 0.114 0.000 0.805 93 L CB 1.493 43.632 42.059 0.132 0.000 1.311 93 L HN 0.429 nan 8.230 nan 0.000 0.456 94 S N -0.946 114.808 115.700 0.090 0.000 2.810 94 S HA 0.379 4.850 4.470 0.002 0.000 0.315 94 S C 0.504 175.149 174.600 0.076 0.000 1.138 94 S CA -0.806 57.440 58.200 0.076 0.000 0.889 94 S CB 1.532 64.768 63.200 0.060 0.000 1.236 94 S HN 0.711 nan 8.310 nan 0.000 0.548 95 R N -0.262 120.276 120.500 0.064 0.000 2.237 95 R HA 0.096 4.437 4.340 0.002 0.000 0.219 95 R C 1.634 177.973 176.300 0.065 0.000 1.080 95 R CA 1.444 57.581 56.100 0.062 0.000 0.995 95 R CB -1.223 29.110 30.300 0.055 0.000 0.875 95 R HN 0.710 nan 8.270 nan 0.000 0.462 96 G N 0.589 109.428 108.800 0.066 0.000 2.598 96 G HA2 -0.192 3.769 3.960 0.002 0.000 0.215 96 G HA3 -0.192 3.769 3.960 0.002 0.000 0.215 96 G C 0.534 175.477 174.900 0.072 0.000 1.131 96 G CA 0.290 45.432 45.100 0.070 0.000 0.785 96 G HN 0.442 nan 8.290 nan 0.000 0.539 97 N N 0.099 118.844 118.700 0.074 0.000 2.398 97 N HA 0.056 4.797 4.740 0.002 0.000 0.188 97 N C 0.081 175.636 175.510 0.076 0.000 1.122 97 N CA 0.052 53.151 53.050 0.083 0.000 0.866 97 N CB 0.284 38.834 38.487 0.105 0.000 0.970 97 N HN 0.089 nan 8.380 nan 0.000 0.462 98 N N 0.832 119.563 118.700 0.051 0.000 2.573 98 N HA 0.215 4.956 4.740 0.002 0.000 0.262 98 N C -1.883 173.633 175.510 0.010 0.000 1.029 98 N CA -0.580 52.478 53.050 0.013 0.000 0.882 98 N CB 0.576 39.070 38.487 0.011 0.000 1.204 98 N HN -0.031 nan 8.380 nan 0.000 0.519 99 L N 3.087 124.298 121.223 -0.020 0.000 2.295 99 L HA 0.694 5.035 4.340 0.002 0.000 0.285 99 L C 0.155 176.977 176.870 -0.080 0.000 1.035 99 L CA -0.074 54.772 54.840 0.011 0.000 0.806 99 L CB 1.137 43.231 42.059 0.060 0.000 1.214 99 L HN 0.640 nan 8.230 nan 0.000 0.426 100 T N -0.400 114.178 114.554 0.041 0.000 2.907 100 T HA 0.380 4.731 4.350 0.002 0.000 0.290 100 T C 0.849 175.739 174.700 0.318 0.000 1.066 100 T CA -0.002 62.117 62.100 0.032 0.000 1.012 100 T CB 1.225 70.128 68.868 0.058 0.000 1.184 100 T HN 0.508 nan 8.240 nan 0.000 0.522 101 T N 0.819 115.585 114.554 0.354 0.000 2.777 101 T HA 0.070 4.421 4.350 0.002 0.000 0.266 101 T C 2.245 177.143 174.700 0.329 0.000 1.040 101 T CA 1.708 64.065 62.100 0.428 0.000 1.141 101 T CB -1.007 68.008 68.868 0.244 0.000 0.868 101 T HN 0.860 nan 8.240 nan 0.000 0.444 102 G N 0.991 109.932 108.800 0.235 0.000 2.440 102 G HA2 -0.251 3.710 3.960 0.002 0.000 0.218 102 G HA3 -0.251 3.710 3.960 0.002 0.000 0.218 102 G C 1.508 176.535 174.900 0.211 0.000 1.154 102 G CA 0.750 45.966 45.100 0.194 0.000 0.767 102 G HN 0.472 nan 8.290 nan 0.000 0.552 103 Q N -0.355 119.570 119.800 0.208 0.000 2.002 103 Q HA -0.085 4.256 4.340 0.002 0.000 0.204 103 Q C 2.906 179.018 176.000 0.187 0.000 0.988 103 Q CA 1.663 57.572 55.803 0.177 0.000 0.843 103 Q CB -0.361 28.475 28.738 0.163 0.000 0.908 103 Q HN 0.358 nan 8.270 nan 0.000 0.420 104 V N -0.093 119.961 119.914 0.234 0.000 2.287 104 V HA -0.279 3.842 4.120 0.002 0.000 0.248 104 V C 1.840 178.006 176.094 0.119 0.000 1.053 104 V CA 1.868 64.272 62.300 0.174 0.000 1.027 104 V CB -0.632 31.297 31.823 0.177 0.000 0.646 104 V HN 0.354 nan 8.190 nan 0.000 0.447 105 Y N -0.807 119.534 120.300 0.069 0.000 2.220 105 Y HA -0.122 4.428 4.550 0.001 0.000 0.291 105 Y C 2.144 178.080 175.900 0.061 0.000 1.129 105 Y CA 1.418 59.548 58.100 0.051 0.000 1.161 105 Y CB -0.595 37.891 38.460 0.044 0.000 0.997 105 Y HN 0.174 nan 8.280 nan 0.000 0.522 106 L N -0.654 120.702 121.223 0.222 0.000 2.012 106 L HA -0.216 4.125 4.340 0.002 0.000 0.210 106 L C 2.565 179.502 176.870 0.112 0.000 1.073 106 L CA 2.271 57.198 54.840 0.145 0.000 0.748 106 L CB -1.297 40.836 42.059 0.123 0.000 0.891 106 L HN 0.201 nan 8.230 nan 0.000 0.431 107 S N -1.551 114.214 115.700 0.108 0.000 2.400 107 S HA -0.143 4.328 4.470 0.002 0.000 0.232 107 S C 1.892 176.547 174.600 0.091 0.000 1.025 107 S CA 1.539 59.792 58.200 0.087 0.000 0.993 107 S CB -0.392 62.860 63.200 0.087 0.000 0.808 107 S HN 0.327 nan 8.310 nan 0.000 0.478 108 V N 1.398 121.366 119.914 0.091 0.000 2.488 108 V HA 0.024 4.145 4.120 0.002 0.000 0.246 108 V C 2.210 178.395 176.094 0.151 0.000 1.046 108 V CA 1.400 63.779 62.300 0.131 0.000 1.053 108 V CB -0.470 31.355 31.823 0.003 0.000 0.679 108 V HN 0.493 nan 8.190 nan 0.000 0.458 109 I N -0.257 120.371 120.570 0.096 0.000 2.315 109 I HA -0.276 3.895 4.170 0.002 0.000 0.248 109 I C 2.626 178.795 176.117 0.087 0.000 1.117 109 I CA 1.465 62.818 61.300 0.088 0.000 1.404 109 I CB -0.309 37.746 38.000 0.092 0.000 1.071 109 I HN 0.359 nan 8.210 nan 0.000 0.419 110 Q N 0.701 120.548 119.800 0.078 0.000 2.124 110 Q HA -0.218 4.123 4.340 0.002 0.000 0.202 110 Q C 2.173 178.196 176.000 0.038 0.000 0.977 110 Q CA 1.383 57.217 55.803 0.053 0.000 0.850 110 Q CB -0.055 28.709 28.738 0.045 0.000 0.901 110 Q HN 0.468 nan 8.270 nan 0.000 0.429 111 K N 0.578 121.006 120.400 0.046 0.000 2.097 111 K HA -0.201 4.120 4.320 0.002 0.000 0.205 111 K C 1.971 178.564 176.600 -0.011 0.000 1.050 111 K CA 1.573 57.833 56.287 -0.045 0.000 0.938 111 K CB 0.017 32.422 32.500 -0.159 0.000 0.718 111 K HN 0.236 nan 8.250 nan 0.000 0.442 112 E N 0.510 120.821 120.200 0.186 0.000 2.230 112 E HA -0.079 4.272 4.350 0.002 0.000 0.192 112 E C 1.730 178.379 176.600 0.082 0.000 0.987 112 E CA 0.714 57.245 56.400 0.219 0.000 0.841 112 E CB 0.084 29.928 29.700 0.239 0.000 0.783 112 E HN -0.030 nan 8.360 nan 0.000 0.481 113 R N 0.879 121.412 120.500 0.056 0.000 2.115 113 R HA 0.107 4.448 4.340 0.002 0.000 0.230 113 R C 1.763 178.073 176.300 0.017 0.000 1.111 113 R CA 1.047 57.166 56.100 0.032 0.000 0.976 113 R CB -0.497 29.820 30.300 0.030 0.000 0.870 113 R HN 0.277 nan 8.270 nan 0.000 0.445 114 R N 0.025 120.528 120.500 0.006 0.000 2.319 114 R HA 0.079 4.420 4.340 0.002 0.000 0.204 114 R C 0.707 176.995 176.300 -0.021 0.000 0.954 114 R CA 0.572 56.666 56.100 -0.012 0.000 1.066 114 R CB 0.061 30.346 30.300 -0.026 0.000 0.991 114 R HN 0.358 nan 8.270 nan 0.000 0.486 115 G N 1.605 110.401 108.800 -0.007 0.000 2.166 115 G HA2 -0.333 3.628 3.960 0.002 0.000 0.260 115 G HA3 -0.333 3.628 3.960 0.002 0.000 0.260 115 G C 0.563 175.440 174.900 -0.038 0.000 0.986 115 G CA 0.608 45.705 45.100 -0.005 0.000 0.683 115 G HN 0.488 nan 8.290 nan 0.000 0.527 116 E N -1.144 118.991 120.200 -0.108 0.000 2.409 116 E HA -0.032 4.319 4.350 0.002 0.000 0.198 116 E C 1.146 177.567 176.600 -0.298 0.000 1.024 116 E CA 0.589 56.858 56.400 -0.217 0.000 0.861 116 E CB -0.064 29.450 29.700 -0.311 0.000 0.788 116 E HN 0.786 nan 8.360 nan 0.000 0.521 117 Y N -0.160 120.117 120.300 -0.039 0.000 2.495 117 Y HA 0.182 4.733 4.550 0.002 0.000 0.293 117 Y C 1.270 177.149 175.900 -0.036 0.000 1.186 117 Y CA -0.060 58.010 58.100 -0.051 0.000 1.266 117 Y CB 0.064 38.444 38.460 -0.133 0.000 1.101 117 Y HN -0.031 nan 8.280 nan 0.000 0.517 118 L N -0.594 120.666 121.223 0.061 0.000 3.742 118 L HA -0.405 3.936 4.340 0.002 0.000 0.431 118 L C 1.125 178.021 176.870 0.044 0.000 1.220 118 L CA 1.245 56.110 54.840 0.041 0.000 0.863 118 L CB -2.875 39.207 42.059 0.038 0.000 1.751 118 L HN 0.558 nan 8.230 nan 0.000 0.922 119 S N -3.744 111.983 115.700 0.044 0.000 2.857 119 S HA -0.236 4.235 4.470 0.002 0.000 0.268 119 S C 0.599 175.208 174.600 0.015 0.000 1.297 119 S CA 1.599 59.813 58.200 0.025 0.000 1.280 119 S CB -1.297 61.913 63.200 0.017 0.000 1.562 119 S HN 1.705 nan 8.310 nan 0.000 0.661 120 Q N 1.215 121.027 119.800 0.021 0.000 2.382 120 Q HA 0.503 4.844 4.340 0.002 0.000 0.229 120 Q C 0.508 176.466 176.000 -0.070 0.000 1.006 120 Q CA 0.168 55.967 55.803 -0.006 0.000 0.916 120 Q CB 0.355 29.107 28.738 0.023 0.000 1.235 120 Q HN 0.311 nan 8.270 nan 0.000 0.512 121 T N -0.315 114.197 114.554 -0.071 0.000 2.794 121 T HA 0.345 4.696 4.350 0.002 0.000 0.296 121 T C -0.462 174.109 174.700 -0.215 0.000 0.949 121 T CA -0.734 61.304 62.100 -0.103 0.000 1.101 121 T CB 0.231 69.068 68.868 -0.051 0.000 0.905 121 T HN 0.317 nan 8.240 nan 0.000 0.516 122 V N 6.457 126.165 119.914 -0.343 0.000 2.439 122 V HA 0.439 4.560 4.120 0.002 0.000 0.282 122 V C 0.221 176.172 176.094 -0.238 0.000 1.039 122 V CA -0.547 61.373 62.300 -0.633 0.000 0.913 122 V CB 1.134 32.475 31.823 -0.803 0.000 0.983 122 V HN 0.936 nan 8.190 nan 0.000 0.460 123 Q N 2.163 121.977 119.800 0.023 0.000 2.484 123 Q HA 0.464 4.805 4.340 0.002 0.000 0.285 123 Q C 0.681 176.671 176.000 -0.016 0.000 1.097 123 Q CA -0.934 54.880 55.803 0.019 0.000 0.802 123 Q CB 2.421 31.176 28.738 0.029 0.000 1.444 123 Q HN 0.354 nan 8.270 nan 0.000 0.429 124 V N 0.533 120.409 119.914 -0.062 0.000 2.278 124 V HA -0.202 3.919 4.120 0.002 0.000 0.251 124 V C 0.764 176.783 176.094 -0.124 0.000 1.062 124 V CA 1.769 64.001 62.300 -0.113 0.000 1.038 124 V CB -0.253 31.542 31.823 -0.048 0.000 0.646 124 V HN 0.541 nan 8.190 nan 0.000 0.447 125 I N 1.105 121.616 120.570 -0.100 0.000 2.406 125 I HA 0.272 4.443 4.170 0.002 0.000 0.290 125 I C -1.567 174.448 176.117 -0.170 0.000 0.999 125 I CA -1.561 59.658 61.300 -0.135 0.000 1.124 125 I CB 2.298 40.234 38.000 -0.106 0.000 1.289 125 I HN 0.073 nan 8.210 nan 0.000 0.441 126 P HA 0.068 nan 4.420 nan 0.000 0.252 126 P C 0.888 177.957 177.300 -0.384 0.000 1.218 126 P CA 0.823 63.714 63.100 -0.349 0.000 0.807 126 P CB 0.285 31.763 31.700 -0.369 0.000 1.072 127 H N 0.201 119.164 119.070 -0.178 0.000 2.293 127 H HA -0.053 4.504 4.556 0.002 0.000 0.300 127 H C 2.109 177.322 175.328 -0.192 0.000 1.082 127 H CA 1.224 57.145 56.048 -0.212 0.000 1.308 127 H CB -0.555 28.953 29.762 -0.423 0.000 1.375 127 H HN 0.002 nan 8.280 nan 0.000 0.495 128 I N 0.992 121.469 120.570 -0.155 0.000 2.252 128 I HA -0.202 3.969 4.170 0.002 0.000 0.245 128 I C 2.416 178.412 176.117 -0.201 0.000 1.102 128 I CA 1.756 62.893 61.300 -0.273 0.000 1.385 128 I CB -1.191 36.515 38.000 -0.490 0.000 1.064 128 I HN 0.475 nan 8.210 nan 0.000 0.414 129 T N -1.609 112.840 114.554 -0.175 0.000 2.788 129 T HA -0.152 4.199 4.350 0.002 0.000 0.268 129 T C 1.581 176.233 174.700 -0.079 0.000 1.044 129 T CA 1.183 63.205 62.100 -0.130 0.000 1.139 129 T CB -0.345 68.451 68.868 -0.120 0.000 0.867 129 T HN 0.160 nan 8.240 nan 0.000 0.454 130 D N 1.321 121.669 120.400 -0.087 0.000 2.097 130 D HA -0.081 4.560 4.640 0.002 0.000 0.195 130 D C 2.180 178.481 176.300 0.001 0.000 0.989 130 D CA 1.471 55.440 54.000 -0.051 0.000 0.827 130 D CB -0.472 40.303 40.800 -0.042 0.000 0.966 130 D HN 0.502 nan 8.370 nan 0.000 0.456 131 E N 0.765 120.974 120.200 0.015 0.000 2.097 131 E HA -0.167 4.184 4.350 0.002 0.000 0.196 131 E C 2.149 178.792 176.600 0.071 0.000 1.000 131 E CA 0.987 57.415 56.400 0.047 0.000 0.804 131 E CB -0.422 29.297 29.700 0.032 0.000 0.740 131 E HN 0.319 nan 8.360 nan 0.000 0.454 132 I N 0.299 120.904 120.570 0.059 0.000 2.142 132 I HA -0.298 3.873 4.170 0.002 0.000 0.240 132 I C 2.395 178.639 176.117 0.212 0.000 1.078 132 I CA 1.531 62.919 61.300 0.147 0.000 1.343 132 I CB -0.310 37.756 38.000 0.110 0.000 1.046 132 I HN 0.088 nan 8.210 nan 0.000 0.405 133 K N 0.679 121.188 120.400 0.181 0.000 2.057 133 K HA -0.193 4.128 4.320 0.002 0.000 0.207 133 K C 1.987 178.706 176.600 0.197 0.000 1.049 133 K CA 1.504 57.940 56.287 0.249 0.000 0.931 133 K CB -0.220 32.237 32.500 -0.071 0.000 0.714 133 K HN 0.395 nan 8.250 nan 0.000 0.440 134 E N 0.491 120.753 120.200 0.104 0.000 2.110 134 E HA -0.192 4.159 4.350 0.002 0.000 0.193 134 E C 2.132 178.810 176.600 0.130 0.000 0.988 134 E CA 0.945 57.402 56.400 0.094 0.000 0.804 134 E CB 0.003 29.741 29.700 0.063 0.000 0.745 134 E HN 0.081 nan 8.360 nan 0.000 0.458 135 R N 0.704 121.290 120.500 0.144 0.000 2.092 135 R HA -0.029 4.312 4.340 0.002 0.000 0.231 135 R C 2.078 178.478 176.300 0.166 0.000 1.119 135 R CA 0.893 57.079 56.100 0.143 0.000 0.970 135 R CB -0.223 30.166 30.300 0.149 0.000 0.864 135 R HN 0.183 nan 8.270 nan 0.000 0.440 136 I N -0.131 120.571 120.570 0.220 0.000 2.252 136 I HA -0.276 3.895 4.170 0.002 0.000 0.245 136 I C 2.130 178.406 176.117 0.265 0.000 1.102 136 I CA 1.355 62.798 61.300 0.237 0.000 1.385 136 I CB -0.168 38.004 38.000 0.288 0.000 1.064 136 I HN 0.138 nan 8.210 nan 0.000 0.414 137 R N 0.565 121.243 120.500 0.297 0.000 2.073 137 R HA -0.143 4.198 4.340 0.002 0.000 0.229 137 R C 2.328 178.732 176.300 0.174 0.000 1.120 137 R CA 0.989 57.258 56.100 0.281 0.000 0.967 137 R CB -0.275 30.170 30.300 0.242 0.000 0.862 137 R HN 0.279 nan 8.270 nan 0.000 0.436 138 K N 1.072 121.553 120.400 0.136 0.000 2.032 138 K HA -0.137 4.184 4.320 0.002 0.000 0.209 138 K C 1.918 178.569 176.600 0.085 0.000 1.048 138 K CA 1.616 57.961 56.287 0.096 0.000 0.927 138 K CB 0.031 32.581 32.500 0.083 0.000 0.712 138 K HN -0.005 nan 8.250 nan 0.000 0.441 139 V N 1.267 121.236 119.914 0.092 0.000 2.343 139 V HA -0.214 3.907 4.120 0.002 0.000 0.247 139 V C 2.503 178.632 176.094 0.057 0.000 1.051 139 V CA 1.941 64.284 62.300 0.072 0.000 1.036 139 V CB -0.863 31.005 31.823 0.074 0.000 0.654 139 V HN 0.485 nan 8.190 nan 0.000 0.451 140 A N -0.719 122.144 122.820 0.071 0.000 1.972 140 A HA -0.185 4.136 4.320 0.002 0.000 0.219 140 A C 2.264 179.864 177.584 0.027 0.000 1.169 140 A CA 1.567 53.623 52.037 0.033 0.000 0.635 140 A CB -0.371 18.655 19.000 0.045 0.000 0.810 140 A HN 0.476 nan 8.150 nan 0.000 0.446 141 E N 0.583 120.816 120.200 0.055 0.000 2.006 141 E HA -0.195 4.156 4.350 0.002 0.000 0.192 141 E C 2.142 178.760 176.600 0.029 0.000 0.993 141 E CA 1.537 57.964 56.400 0.044 0.000 0.808 141 E CB -0.439 29.295 29.700 0.056 0.000 0.764 141 E HN 0.867 nan 8.360 nan 0.000 0.449 142 E N 0.314 120.534 120.200 0.033 0.000 2.209 142 E HA -0.217 4.134 4.350 0.002 0.000 0.196 142 E C 1.377 177.989 176.600 0.020 0.000 0.993 142 E CA 0.949 57.365 56.400 0.027 0.000 0.819 142 E CB -0.356 29.362 29.700 0.031 0.000 0.745 142 E HN 0.325 nan 8.360 nan 0.000 0.477 143 Q N 0.789 120.599 119.800 0.018 0.000 2.280 143 Q HA 0.105 4.446 4.340 0.002 0.000 0.202 143 Q C -0.511 175.488 176.000 -0.001 0.000 0.903 143 Q CA -0.271 55.538 55.803 0.010 0.000 0.948 143 Q CB 0.168 28.912 28.738 0.010 0.000 1.058 143 Q HN 0.020 nan 8.270 nan 0.000 0.493 144 K N 0.998 121.398 120.400 -0.001 0.000 3.602 144 K HA -0.216 4.105 4.320 0.002 0.000 0.274 144 K C -0.751 175.835 176.600 -0.023 0.000 0.864 144 K CA 0.652 56.935 56.287 -0.008 0.000 0.682 144 K CB -1.303 31.196 32.500 -0.001 0.000 1.576 144 K HN 0.410 nan 8.250 nan 0.000 0.447 145 A N 0.554 123.345 122.820 -0.047 0.000 2.301 145 A HA 0.313 4.634 4.320 0.002 0.000 0.312 145 A C 1.131 178.647 177.584 -0.113 0.000 1.182 145 A CA -0.397 51.593 52.037 -0.079 0.000 0.826 145 A CB 0.854 19.785 19.000 -0.114 0.000 1.134 145 A HN 0.528 nan 8.150 nan 0.000 0.501 146 E N 1.564 121.707 120.200 -0.096 0.000 2.250 146 E HA 0.120 4.471 4.350 0.002 0.000 0.192 146 E C -0.295 176.154 176.600 -0.252 0.000 0.986 146 E CA 0.610 56.940 56.400 -0.116 0.000 0.849 146 E CB 0.095 29.795 29.700 -0.001 0.000 0.797 146 E HN 0.722 nan 8.360 nan 0.000 0.482 147 I N 1.625 122.025 120.570 -0.284 0.000 2.478 147 I HA 0.228 4.399 4.170 0.002 0.000 0.287 147 I C -0.993 174.899 176.117 -0.376 0.000 1.042 147 I CA -0.972 60.093 61.300 -0.391 0.000 1.067 147 I CB 2.274 40.022 38.000 -0.420 0.000 1.233 147 I HN -0.184 nan 8.210 nan 0.000 0.431 148 V N 7.680 127.298 119.914 -0.494 0.000 2.409 148 V HA 0.523 4.644 4.120 0.002 0.000 0.291 148 V C -0.672 175.170 176.094 -0.421 0.000 1.020 148 V CA -0.312 61.742 62.300 -0.411 0.000 0.848 148 V CB 1.919 33.509 31.823 -0.388 0.000 0.990 148 V HN 0.433 nan 8.190 nan 0.000 0.430 149 V N 7.356 127.053 119.914 -0.362 0.000 2.364 149 V HA 0.434 4.555 4.120 0.002 0.000 0.272 149 V C 0.068 175.961 176.094 -0.335 0.000 1.036 149 V CA -0.369 61.707 62.300 -0.373 0.000 0.880 149 V CB 1.257 32.867 31.823 -0.356 0.000 0.991 149 V HN 0.728 nan 8.190 nan 0.000 0.460 150 V N 4.588 124.311 119.914 -0.319 0.000 2.398 150 V HA 0.420 4.541 4.120 0.002 0.000 0.286 150 V C 0.071 176.124 176.094 -0.069 0.000 1.026 150 V CA -0.589 61.613 62.300 -0.163 0.000 0.868 150 V CB 1.671 33.444 31.823 -0.082 0.000 0.982 150 V HN 0.930 nan 8.190 nan 0.000 0.443 151 E N 3.594 123.772 120.200 -0.038 0.000 2.133 151 E HA 0.496 4.847 4.350 0.002 0.000 0.274 151 E C -1.359 175.240 176.600 -0.002 0.000 0.930 151 E CA -0.550 55.851 56.400 0.001 0.000 0.770 151 E CB 1.933 31.659 29.700 0.043 0.000 1.104 151 E HN 0.514 nan 8.360 nan 0.000 0.403 152 V N 4.557 124.480 119.914 0.016 0.000 2.385 152 V HA 0.311 4.431 4.120 0.002 0.000 0.269 152 V C 0.989 177.057 176.094 -0.043 0.000 1.043 152 V CA -0.342 61.943 62.300 -0.025 0.000 0.906 152 V CB 0.956 32.809 31.823 0.050 0.000 0.995 152 V HN 0.781 nan 8.190 nan 0.000 0.467 153 G N 3.223 111.950 108.800 -0.122 0.000 2.653 153 G HA2 0.556 4.517 3.960 0.002 0.000 0.265 153 G HA3 0.556 4.517 3.960 0.002 0.000 0.265 153 G C 0.466 175.335 174.900 -0.052 0.000 1.237 153 G CA 0.427 45.467 45.100 -0.099 0.000 0.946 153 G HN 1.550 nan 8.290 nan 0.000 0.522 154 G N -1.745 107.042 108.800 -0.021 0.000 2.725 154 G HA2 0.182 4.143 3.960 0.002 0.000 0.220 154 G HA3 0.182 4.143 3.960 0.002 0.000 0.220 154 G C -0.246 174.678 174.900 0.039 0.000 1.357 154 G CA 0.051 45.163 45.100 0.018 0.000 0.866 154 G HN 1.331 nan 8.290 nan 0.000 0.548 155 T N 0.053 114.641 114.554 0.057 0.000 2.848 155 T HA 0.545 4.896 4.350 0.002 0.000 0.285 155 T C 0.442 175.199 174.700 0.094 0.000 0.995 155 T CA -0.196 61.948 62.100 0.073 0.000 0.970 155 T CB 1.953 70.856 68.868 0.060 0.000 0.976 155 T HN 1.046 nan 8.240 nan 0.000 0.441 156 V N 3.056 123.050 119.914 0.134 0.000 2.617 156 V HA 0.358 4.479 4.120 0.002 0.000 0.304 156 V C 1.548 177.699 176.094 0.096 0.000 1.040 156 V CA 1.982 64.356 62.300 0.124 0.000 1.149 156 V CB 0.428 32.350 31.823 0.164 0.000 0.914 156 V HN 1.304 nan 8.190 nan 0.000 0.487 157 G N 3.585 112.426 108.800 0.067 0.000 2.231 157 G HA2 -0.148 3.813 3.960 0.002 0.000 0.206 157 G HA3 -0.148 3.813 3.960 0.002 0.000 0.206 157 G C -0.058 174.870 174.900 0.048 0.000 0.996 157 G CA -0.008 45.124 45.100 0.054 0.000 0.645 157 G HN 0.630 nan 8.290 nan 0.000 0.498 158 D N -0.479 119.955 120.400 0.056 0.000 2.387 158 D HA 0.602 5.243 4.640 0.002 0.000 0.255 158 D C 1.786 178.117 176.300 0.052 0.000 1.081 158 D CA -0.531 53.500 54.000 0.051 0.000 0.994 158 D CB 1.177 42.010 40.800 0.055 0.000 1.127 158 D HN 0.053 nan 8.370 nan 0.000 0.513 159 I N 0.173 120.771 120.570 0.047 0.000 2.333 159 I HA -0.198 3.973 4.170 0.002 0.000 0.246 159 I C 2.272 178.427 176.117 0.064 0.000 1.106 159 I CA 0.691 62.018 61.300 0.045 0.000 1.411 159 I CB -0.158 37.861 38.000 0.031 0.000 1.082 159 I HN 0.474 nan 8.210 nan 0.000 0.420 160 E N 1.405 121.649 120.200 0.074 0.000 2.097 160 E HA -0.253 4.098 4.350 0.002 0.000 0.196 160 E C 1.964 178.676 176.600 0.188 0.000 1.000 160 E CA 1.894 58.358 56.400 0.107 0.000 0.804 160 E CB -0.497 29.263 29.700 0.100 0.000 0.740 160 E HN 0.497 nan 8.360 nan 0.000 0.454 161 S N 0.242 116.050 115.700 0.180 0.000 2.562 161 S HA 0.017 4.488 4.470 0.002 0.000 0.221 161 S C 1.818 176.563 174.600 0.241 0.000 0.975 161 S CA 0.015 58.376 58.200 0.267 0.000 0.918 161 S CB -0.085 63.214 63.200 0.165 0.000 0.772 161 S HN 0.070 nan 8.310 nan 0.000 0.531 162 L N 2.750 124.055 121.223 0.138 0.000 1.997 162 L HA 0.015 4.356 4.340 0.002 0.000 0.216 162 L C -0.681 176.213 176.870 0.039 0.000 1.074 162 L CA 1.623 56.509 54.840 0.077 0.000 0.763 162 L CB -1.991 40.096 42.059 0.046 0.000 0.890 162 L HN 0.216 nan 8.230 nan 0.000 0.434 163 P HA -0.161 nan 4.420 nan 0.000 0.218 163 P C 1.634 178.803 177.300 -0.219 0.000 1.148 163 P CA 1.392 64.392 63.100 -0.167 0.000 0.822 163 P CB -0.059 31.480 31.700 -0.269 0.000 0.784 164 F N -1.479 118.506 119.950 0.057 0.000 2.234 164 F HA -0.014 4.513 4.527 0.001 0.000 0.296 164 F C 2.214 178.026 175.800 0.019 0.000 1.089 164 F CA 0.896 58.924 58.000 0.046 0.000 1.343 164 F CB -1.274 37.756 39.000 0.050 0.000 1.040 164 F HN -0.211 nan 8.300 nan 0.000 0.498 165 L N -0.228 121.105 121.223 0.184 0.000 2.046 165 L HA -0.190 4.151 4.340 0.002 0.000 0.208 165 L C 2.523 179.411 176.870 0.031 0.000 1.077 165 L CA 1.483 56.378 54.840 0.091 0.000 0.747 165 L CB -0.555 41.546 42.059 0.070 0.000 0.896 165 L HN 0.094 nan 8.230 nan 0.000 0.432 166 E N 0.747 120.955 120.200 0.014 0.000 2.051 166 E HA -0.203 4.148 4.350 0.002 0.000 0.192 166 E C 2.124 178.717 176.600 -0.011 0.000 0.991 166 E CA 1.604 57.993 56.400 -0.020 0.000 0.799 166 E CB -0.187 29.489 29.700 -0.040 0.000 0.748 166 E HN 0.322 nan 8.360 nan 0.000 0.449 167 A N 1.455 124.279 122.820 0.006 0.000 1.892 167 A HA -0.206 4.115 4.320 0.002 0.000 0.218 167 A C 2.444 180.108 177.584 0.133 0.000 1.188 167 A CA 2.217 54.286 52.037 0.053 0.000 0.631 167 A CB -1.224 17.830 19.000 0.090 0.000 0.822 167 A HN 0.593 nan 8.150 nan 0.000 0.447 168 I N -2.983 117.616 120.570 0.048 0.000 2.676 168 I HA -0.092 4.079 4.170 0.002 0.000 0.259 168 I C 2.266 178.295 176.117 -0.146 0.000 1.194 168 I CA 1.725 62.888 61.300 -0.228 0.000 1.473 168 I CB -0.333 37.209 38.000 -0.764 0.000 1.096 168 I HN 0.320 nan 8.210 nan 0.000 0.443 169 R N 1.396 121.883 120.500 -0.022 0.000 2.092 169 R HA -0.138 4.203 4.340 0.002 0.000 0.231 169 R C 2.162 178.494 176.300 0.053 0.000 1.119 169 R CA 1.642 57.732 56.100 -0.018 0.000 0.970 169 R CB -0.238 30.018 30.300 -0.072 0.000 0.864 169 R HN 0.550 nan 8.270 nan 0.000 0.440 170 Q N -0.644 119.187 119.800 0.052 0.000 2.364 170 Q HA -0.139 4.202 4.340 0.002 0.000 0.207 170 Q C 1.640 177.677 176.000 0.063 0.000 0.970 170 Q CA 1.051 56.877 55.803 0.039 0.000 0.888 170 Q CB -0.037 28.679 28.738 -0.037 0.000 0.951 170 Q HN 0.315 nan 8.270 nan 0.000 0.469 171 F N 0.708 120.659 119.950 0.002 0.000 2.171 171 F HA -0.192 4.336 4.527 0.001 0.000 0.300 171 F C 2.502 178.372 175.800 0.117 0.000 1.090 171 F CA 1.311 59.326 58.000 0.025 0.000 1.293 171 F CB -0.067 38.952 39.000 0.031 0.000 1.013 171 F HN -0.018 nan 8.300 nan 0.000 0.486 172 R N -0.016 120.708 120.500 0.375 0.000 2.096 172 R HA -0.257 4.084 4.340 0.002 0.000 0.240 172 R C 2.134 178.561 176.300 0.212 0.000 1.139 172 R CA 2.035 58.324 56.100 0.314 0.000 0.952 172 R CB -1.150 29.309 30.300 0.265 0.000 0.854 172 R HN 0.285 nan 8.270 nan 0.000 0.436 173 F N 1.137 121.120 119.950 0.055 0.000 2.146 173 F HA -0.104 4.423 4.527 0.001 0.000 0.298 173 F C 1.587 177.384 175.800 -0.005 0.000 1.096 173 F CA 1.845 59.853 58.000 0.014 0.000 1.275 173 F CB -0.313 38.675 39.000 -0.019 0.000 1.008 173 F HN 0.083 nan 8.300 nan 0.000 0.480 174 D N 0.212 120.564 120.400 -0.080 0.000 2.144 174 D HA -0.150 4.491 4.640 0.002 0.000 0.199 174 D C 2.001 178.192 176.300 -0.181 0.000 0.984 174 D CA 1.364 55.242 54.000 -0.203 0.000 0.834 174 D CB -0.290 40.370 40.800 -0.233 0.000 0.955 174 D HN 0.391 nan 8.370 nan 0.000 0.465 175 E N 0.022 120.187 120.200 -0.057 0.000 2.385 175 E HA 0.245 4.595 4.350 0.002 0.000 0.194 175 E C 1.274 177.881 176.600 0.012 0.000 1.013 175 E CA 0.457 56.881 56.400 0.040 0.000 0.866 175 E CB 0.315 30.142 29.700 0.212 0.000 0.832 175 E HN 0.222 nan 8.360 nan 0.000 0.500 176 G N 1.008 109.781 108.800 -0.045 0.000 2.730 176 G HA2 -0.118 3.843 3.960 0.002 0.000 0.686 176 G HA3 -0.118 3.843 3.960 0.002 0.000 0.686 176 G C -0.033 174.890 174.900 0.039 0.000 1.343 176 G CA -0.296 44.780 45.100 -0.040 0.000 0.826 176 G HN 0.364 nan 8.290 nan 0.000 0.582 177 E N -0.388 119.834 120.200 0.037 0.000 2.442 177 E HA 0.555 4.906 4.350 0.002 0.000 0.262 177 E C 2.267 178.907 176.600 0.067 0.000 1.004 177 E CA 1.526 57.964 56.400 0.064 0.000 0.928 177 E CB 0.257 29.988 29.700 0.051 0.000 0.937 177 E HN 2.708 nan 8.360 nan 0.000 0.446 178 G N 1.539 110.389 108.800 0.083 0.000 2.212 178 G HA2 -0.305 3.656 3.960 0.002 0.000 0.266 178 G HA3 -0.305 3.656 3.960 0.002 0.000 0.266 178 G C 0.886 175.827 174.900 0.068 0.000 0.978 178 G CA 0.724 45.866 45.100 0.071 0.000 0.632 178 G HN 0.669 nan 8.290 nan 0.000 0.537 179 N N 0.445 119.205 118.700 0.099 0.000 2.236 179 N HA 0.159 4.900 4.740 0.002 0.000 0.196 179 N C 0.760 176.368 175.510 0.165 0.000 1.114 179 N CA 1.265 54.383 53.050 0.112 0.000 0.859 179 N CB 0.794 39.366 38.487 0.141 0.000 0.982 179 N HN 0.833 nan 8.380 nan 0.000 0.493 180 T N -1.560 113.109 114.554 0.191 0.000 2.893 180 T HA 0.665 5.016 4.350 0.002 0.000 0.293 180 T C -0.884 173.924 174.700 0.180 0.000 1.027 180 T CA -0.812 61.418 62.100 0.216 0.000 0.988 180 T CB 2.364 71.491 68.868 0.431 0.000 1.043 180 T HN -0.083 nan 8.240 nan 0.000 0.461 181 L N 1.957 123.192 121.223 0.020 0.000 2.422 181 L HA 0.757 5.098 4.340 0.002 0.000 0.264 181 L C -2.134 174.704 176.870 -0.053 0.000 0.984 181 L CA -0.849 54.034 54.840 0.071 0.000 0.819 181 L CB 1.924 43.966 42.059 -0.028 0.000 1.330 181 L HN 0.821 nan 8.230 nan 0.000 0.410 182 Y N 4.736 125.124 120.300 0.146 0.000 2.350 182 Y HA 0.702 5.253 4.550 0.002 0.000 0.338 182 Y C -0.887 175.081 175.900 0.113 0.000 0.961 182 Y CA -0.765 57.435 58.100 0.165 0.000 1.100 182 Y CB 1.744 40.286 38.460 0.137 0.000 1.179 182 Y HN 0.334 nan 8.280 nan 0.000 0.454 183 L N 3.570 124.917 121.223 0.206 0.000 2.346 183 L HA 0.526 4.867 4.340 0.002 0.000 0.274 183 L C -0.804 176.206 176.870 0.235 0.000 1.007 183 L CA -0.837 54.103 54.840 0.167 0.000 0.818 183 L CB 1.446 43.545 42.059 0.067 0.000 1.284 183 L HN 0.628 nan 8.230 nan 0.000 0.424 184 H N 2.143 121.272 119.070 0.098 0.000 2.689 184 H HA 0.625 5.182 4.556 0.001 0.000 0.346 184 H C -1.536 173.834 175.328 0.070 0.000 1.037 184 H CA -0.666 55.434 56.048 0.087 0.000 1.234 184 H CB 1.560 31.380 29.762 0.097 0.000 1.572 184 H HN 0.490 nan 8.280 nan 0.000 0.524 185 L N 5.304 126.354 121.223 -0.288 0.000 2.282 185 L HA 0.605 4.946 4.340 0.002 0.000 0.288 185 L C -0.483 176.175 176.870 -0.353 0.000 1.033 185 L CA 0.025 54.730 54.840 -0.225 0.000 0.807 185 L CB 1.076 43.060 42.059 -0.124 0.000 1.209 185 L HN 0.896 nan 8.230 nan 0.000 0.423 186 T N 2.212 116.651 114.554 -0.192 0.000 2.916 186 T HA 0.602 4.953 4.350 0.002 0.000 0.292 186 T C -0.790 173.893 174.700 -0.028 0.000 1.064 186 T CA -0.884 61.144 62.100 -0.121 0.000 1.011 186 T CB 1.340 70.183 68.868 -0.040 0.000 1.152 186 T HN 0.599 nan 8.240 nan 0.000 0.510 187 L N 1.612 122.836 121.223 0.001 0.000 2.289 187 L HA 0.709 5.050 4.340 0.002 0.000 0.285 187 L C -0.952 175.954 176.870 0.059 0.000 1.049 187 L CA -0.458 54.398 54.840 0.028 0.000 0.804 187 L CB 1.191 43.264 42.059 0.022 0.000 1.195 187 L HN 0.620 nan 8.230 nan 0.000 0.428 188 V N 7.702 127.671 119.914 0.091 0.000 2.276 188 V HA 0.364 4.485 4.120 0.002 0.000 0.268 188 V C -2.050 174.136 176.094 0.153 0.000 1.032 188 V CA -1.313 61.073 62.300 0.143 0.000 0.810 188 V CB 0.867 32.816 31.823 0.209 0.000 1.060 188 V HN 0.745 nan 8.190 nan 0.000 0.446 189 P HA -0.001 nan 4.420 nan 0.000 0.267 189 P C -1.167 176.162 177.300 0.048 0.000 1.200 189 P CA 0.106 63.243 63.100 0.061 0.000 0.772 189 P CB 0.785 32.496 31.700 0.020 0.000 0.855 190 Y N 3.172 123.374 120.300 -0.163 0.000 2.328 190 Y HA 0.410 4.961 4.550 0.002 0.000 0.333 190 Y C -0.452 175.299 175.900 -0.249 0.000 0.958 190 Y CA -0.746 57.136 58.100 -0.363 0.000 1.167 190 Y CB 0.696 38.853 38.460 -0.505 0.000 1.151 190 Y HN 0.196 nan 8.280 nan 0.000 0.470 195 E N -0.258 119.702 120.200 -0.400 0.000 2.868 195 E HA -0.066 4.285 4.350 0.002 0.000 0.278 195 E C -0.276 176.138 176.600 -0.311 0.000 1.009 195 E CA 2.031 58.208 56.400 -0.373 0.000 0.856 195 E CB -2.751 26.970 29.700 0.035 0.000 1.428 195 E HN 1.465 nan 8.360 nan 0.000 0.423 196 E N -0.735 119.185 120.200 -0.466 0.000 2.175 196 E HA 0.698 5.049 4.350 0.002 0.000 0.278 196 E C -0.402 176.039 176.600 -0.264 0.000 0.969 196 E CA -0.498 55.787 56.400 -0.192 0.000 0.796 196 E CB 0.638 30.262 29.700 -0.127 0.000 1.104 196 E HN 0.825 nan 8.360 nan 0.000 0.395 197 F N 2.378 122.343 119.950 0.025 0.000 2.411 197 F HA 0.321 4.849 4.527 0.001 0.000 0.350 197 F C 0.929 176.757 175.800 0.047 0.000 1.114 197 F CA -0.857 57.199 58.000 0.093 0.000 1.135 197 F CB 1.861 40.945 39.000 0.140 0.000 1.120 197 F HN 0.219 nan 8.300 nan 0.000 0.495 198 K N 2.540 123.033 120.400 0.155 0.000 2.250 198 K HA 0.137 4.458 4.320 0.002 0.000 0.280 198 K C 1.022 177.693 176.600 0.117 0.000 1.098 198 K CA 0.032 56.373 56.287 0.090 0.000 0.916 198 K CB 0.752 33.263 32.500 0.018 0.000 1.209 198 K HN 0.757 nan 8.250 nan 0.000 0.461 199 T N -1.229 113.409 114.554 0.139 0.000 3.100 199 T HA -0.021 4.330 4.350 0.002 0.000 0.253 199 T C 1.660 176.416 174.700 0.092 0.000 1.118 199 T CA 0.236 62.448 62.100 0.187 0.000 1.058 199 T CB 0.202 69.270 68.868 0.333 0.000 0.953 199 T HN 0.269 nan 8.240 nan 0.000 0.515 200 K N 2.367 122.732 120.400 -0.058 0.000 2.044 200 K HA -0.007 4.313 4.320 0.002 0.000 0.210 200 K C -0.809 175.580 176.600 -0.351 0.000 1.049 200 K CA 1.387 57.507 56.287 -0.277 0.000 0.927 200 K CB -1.127 31.191 32.500 -0.304 0.000 0.713 200 K HN 0.308 nan 8.250 nan 0.000 0.443 201 P HA -0.166 nan 4.420 nan 0.000 0.215 201 P C 1.137 178.451 177.300 0.023 0.000 1.153 201 P CA 1.983 65.025 63.100 -0.096 0.000 0.853 201 P CB -0.182 31.505 31.700 -0.022 0.000 0.788 202 T N -2.701 111.903 114.554 0.084 0.000 2.951 202 T HA -0.187 4.164 4.350 0.002 0.000 0.268 202 T C 1.992 176.836 174.700 0.240 0.000 1.073 202 T CA 1.046 63.250 62.100 0.174 0.000 1.134 202 T CB -0.785 68.194 68.868 0.185 0.000 0.884 202 T HN 0.102 nan 8.240 nan 0.000 0.479 203 Q N -0.596 119.317 119.800 0.188 0.000 2.084 203 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 203 Q C 2.206 178.330 176.000 0.206 0.000 0.978 203 Q CA 1.706 57.593 55.803 0.140 0.000 0.844 203 Q CB -0.177 28.306 28.738 -0.426 0.000 0.898 203 Q HN 0.677 nan 8.270 nan 0.000 0.426 204 H N -0.683 118.389 119.070 0.003 0.000 2.357 204 H HA -0.029 4.528 4.556 0.002 0.000 0.301 204 H C 2.284 177.640 175.328 0.047 0.000 1.082 204 H CA 1.404 57.456 56.048 0.007 0.000 1.342 204 H CB -0.522 29.241 29.762 0.001 0.000 1.389 204 H HN 0.202 nan 8.280 nan 0.000 0.511 205 S N -0.205 115.632 115.700 0.229 0.000 2.348 205 S HA -0.123 4.348 4.470 0.002 0.000 0.221 205 S C 2.378 177.066 174.600 0.147 0.000 1.033 205 S CA 1.315 59.645 58.200 0.218 0.000 1.010 205 S CB -0.515 62.876 63.200 0.319 0.000 0.891 205 S HN 0.162 nan 8.310 nan 0.000 0.442 206 V N 2.258 122.271 119.914 0.165 0.000 2.332 206 V HA -0.173 3.948 4.120 0.002 0.000 0.248 206 V C 2.822 178.928 176.094 0.020 0.000 1.055 206 V CA 1.839 64.173 62.300 0.056 0.000 1.038 206 V CB -1.363 30.553 31.823 0.154 0.000 0.651 206 V HN 0.617 nan 8.190 nan 0.000 0.450 207 A N -0.554 122.302 122.820 0.060 0.000 1.933 207 A HA -0.219 4.102 4.320 0.002 0.000 0.218 207 A C 2.396 179.973 177.584 -0.013 0.000 1.175 207 A CA 2.450 54.498 52.037 0.018 0.000 0.628 207 A CB -0.870 18.135 19.000 0.007 0.000 0.814 207 A HN 0.499 nan 8.150 nan 0.000 0.444 208 T N 0.073 114.625 114.554 -0.003 0.000 2.777 208 T HA -0.047 4.304 4.350 0.002 0.000 0.266 208 T C 1.828 176.507 174.700 -0.037 0.000 1.040 208 T CA 1.107 63.199 62.100 -0.014 0.000 1.141 208 T CB -0.307 68.570 68.868 0.015 0.000 0.868 208 T HN 0.350 nan 8.240 nan 0.000 0.444 209 L N 0.742 121.923 121.223 -0.070 0.000 2.012 209 L HA -0.157 4.184 4.340 0.002 0.000 0.210 209 L C 2.851 179.662 176.870 -0.098 0.000 1.073 209 L CA 1.680 56.446 54.840 -0.123 0.000 0.748 209 L CB -0.301 41.593 42.059 -0.275 0.000 0.891 209 L HN 0.229 nan 8.230 nan 0.000 0.431 210 R N -0.704 119.747 120.500 -0.082 0.000 2.105 210 R HA -0.157 4.184 4.340 0.002 0.000 0.239 210 R C 2.186 178.449 176.300 -0.061 0.000 1.135 210 R CA 1.182 57.240 56.100 -0.070 0.000 0.967 210 R CB -0.707 29.566 30.300 -0.044 0.000 0.861 210 R HN 0.504 nan 8.270 nan 0.000 0.442 211 G N 0.772 109.542 108.800 -0.050 0.000 2.442 211 G HA2 -0.240 3.720 3.960 0.002 0.000 0.219 211 G HA3 -0.240 3.720 3.960 0.002 0.000 0.219 211 G C 1.368 176.240 174.900 -0.046 0.000 1.141 211 G CA 1.160 46.234 45.100 -0.044 0.000 0.763 211 G HN 0.363 nan 8.290 nan 0.000 0.554 212 V N -2.145 117.740 119.914 -0.049 0.000 3.573 212 V HA 0.536 4.657 4.120 0.002 0.000 0.270 212 V C 1.591 177.648 176.094 -0.062 0.000 1.221 212 V CA 0.877 63.150 62.300 -0.046 0.000 1.163 212 V CB -0.474 31.330 31.823 -0.032 0.000 0.847 212 V HN 1.233 nan 8.190 nan 0.000 0.468 213 G N 0.304 109.058 108.800 -0.076 0.000 2.168 213 G HA2 -0.155 3.806 3.960 0.002 0.000 0.197 213 G HA3 -0.155 3.806 3.960 0.002 0.000 0.197 213 G C -0.216 174.600 174.900 -0.140 0.000 0.997 213 G CA 0.029 45.072 45.100 -0.095 0.000 0.658 213 G HN 0.579 nan 8.290 nan 0.000 0.513 214 I N 0.657 121.134 120.570 -0.155 0.000 2.433 214 I HA 0.505 4.676 4.170 0.002 0.000 0.292 214 I C -0.042 175.956 176.117 -0.198 0.000 1.001 214 I CA -1.024 60.131 61.300 -0.241 0.000 1.119 214 I CB 1.994 39.858 38.000 -0.226 0.000 1.289 214 I HN 0.060 nan 8.210 nan 0.000 0.438 215 Q N 9.205 128.867 119.800 -0.229 0.000 2.368 215 Q HA 0.426 4.767 4.340 0.002 0.000 0.263 215 Q C -2.512 173.443 176.000 -0.075 0.000 1.009 215 Q CA -1.994 53.737 55.803 -0.120 0.000 0.818 215 Q CB 1.328 30.017 28.738 -0.082 0.000 1.239 215 Q HN 0.236 nan 8.270 nan 0.000 0.464 216 P HA 0.053 nan 4.420 nan 0.000 0.269 216 P C -0.662 176.717 177.300 0.133 0.000 1.209 216 P CA 0.090 63.258 63.100 0.114 0.000 0.776 216 P CB 1.172 32.952 31.700 0.133 0.000 0.876 217 D N 1.195 121.708 120.400 0.188 0.000 2.324 217 D HA 0.169 4.810 4.640 0.002 0.000 0.212 217 D C 0.738 177.138 176.300 0.168 0.000 0.984 217 D CA 0.960 55.070 54.000 0.183 0.000 0.885 217 D CB 0.599 41.510 40.800 0.185 0.000 0.996 217 D HN 0.357 nan 8.370 nan 0.000 0.505 218 I N 1.307 121.959 120.570 0.137 0.000 2.582 218 I HA 0.279 4.450 4.170 0.002 0.000 0.292 218 I C -0.843 175.372 176.117 0.163 0.000 1.066 218 I CA -0.612 60.767 61.300 0.133 0.000 1.053 218 I CB 2.866 40.919 38.000 0.089 0.000 1.241 218 I HN -0.323 nan 8.210 nan 0.000 0.421 219 L N 5.979 127.294 121.223 0.153 0.000 2.346 219 L HA 0.692 5.032 4.340 0.002 0.000 0.274 219 L C -0.992 175.969 176.870 0.151 0.000 1.007 219 L CA -1.017 53.903 54.840 0.134 0.000 0.818 219 L CB 2.325 44.435 42.059 0.084 0.000 1.284 219 L HN 0.226 nan 8.230 nan 0.000 0.424 220 V N 4.132 124.111 119.914 0.109 0.000 2.483 220 V HA 0.415 4.536 4.120 0.002 0.000 0.297 220 V C -0.271 175.849 176.094 0.043 0.000 1.027 220 V CA -0.430 61.931 62.300 0.103 0.000 0.855 220 V CB 2.081 33.940 31.823 0.061 0.000 0.995 220 V HN 0.497 nan 8.190 nan 0.000 0.424 221 L N 4.653 125.904 121.223 0.047 0.000 2.276 221 L HA 0.603 4.944 4.340 0.002 0.000 0.286 221 L C 0.156 177.050 176.870 0.039 0.000 1.024 221 L CA -0.596 54.265 54.840 0.036 0.000 0.826 221 L CB 1.238 43.319 42.059 0.037 0.000 1.211 221 L HN 0.540 nan 8.230 nan 0.000 0.422 222 R N 2.558 123.074 120.500 0.027 0.000 2.347 222 R HA 0.554 4.895 4.340 0.002 0.000 0.304 222 R C -0.482 175.854 176.300 0.059 0.000 1.072 222 R CA 0.301 56.416 56.100 0.025 0.000 0.980 222 R CB 1.016 31.316 30.300 0.001 0.000 0.986 222 R HN 0.675 nan 8.270 nan 0.000 0.448 223 S N 2.096 117.836 115.700 0.065 0.000 2.587 223 S HA 0.497 4.968 4.470 0.002 0.000 0.269 223 S C 0.408 175.035 174.600 0.045 0.000 1.154 223 S CA -0.124 58.135 58.200 0.098 0.000 0.824 223 S CB 0.924 64.262 63.200 0.231 0.000 1.118 223 S HN 0.672 nan 8.310 nan 0.000 0.462 224 A N 1.971 124.795 122.820 0.006 0.000 1.892 224 A HA 0.033 4.354 4.320 0.002 0.000 0.218 224 A C 0.933 178.470 177.584 -0.080 0.000 1.188 224 A CA 1.816 53.817 52.037 -0.060 0.000 0.631 224 A CB -0.660 18.269 19.000 -0.118 0.000 0.822 224 A HN 0.852 nan 8.150 nan 0.000 0.447 225 R N -1.188 119.259 120.500 -0.087 0.000 2.912 225 R HA 0.583 4.924 4.340 0.002 0.000 0.262 225 R C -3.161 173.174 176.300 0.058 0.000 1.057 225 R CA -2.300 53.773 56.100 -0.046 0.000 0.981 225 R CB 0.640 30.864 30.300 -0.127 0.000 1.201 225 R HN -0.030 nan 8.270 nan 0.000 0.484 226 P HA -0.024 nan 4.420 nan 0.000 0.268 226 P C -0.235 177.002 177.300 -0.104 0.000 1.205 226 P CA -0.250 62.843 63.100 -0.011 0.000 0.771 226 P CB 0.705 32.393 31.700 -0.020 0.000 0.858 227 V N 5.906 125.696 119.914 -0.205 0.000 2.455 227 V HA 0.128 4.249 4.120 0.002 0.000 0.273 227 V C -1.366 174.474 176.094 -0.423 0.000 1.045 227 V CA -1.367 60.600 62.300 -0.555 0.000 0.976 227 V CB 0.256 31.863 31.823 -0.360 0.000 0.993 227 V HN 0.622 nan 8.190 nan 0.000 0.475 228 P HA 0.011 nan 4.420 nan 0.000 0.269 228 P C 0.807 177.986 177.300 -0.201 0.000 1.217 228 P CA -0.024 62.922 63.100 -0.257 0.000 0.783 228 P CB 1.077 32.659 31.700 -0.197 0.000 0.898 229 E N 1.613 121.736 120.200 -0.129 0.000 2.097 229 E HA -0.294 4.057 4.350 0.002 0.000 0.196 229 E C 2.071 178.606 176.600 -0.109 0.000 1.000 229 E CA 2.188 58.522 56.400 -0.111 0.000 0.804 229 E CB -0.294 29.359 29.700 -0.077 0.000 0.740 229 E HN 0.587 nan 8.360 nan 0.000 0.454 230 E N 0.159 120.305 120.200 -0.089 0.000 2.058 230 E HA -0.173 4.178 4.350 0.002 0.000 0.194 230 E C 2.084 178.636 176.600 -0.080 0.000 0.997 230 E CA 1.712 58.072 56.400 -0.067 0.000 0.801 230 E CB -1.031 28.647 29.700 -0.036 0.000 0.746 230 E HN 0.229 nan 8.360 nan 0.000 0.450 231 V N 1.000 120.849 119.914 -0.108 0.000 2.358 231 V HA -0.225 3.896 4.120 0.002 0.000 0.246 231 V C 2.618 178.629 176.094 -0.138 0.000 1.047 231 V CA 1.923 64.161 62.300 -0.104 0.000 1.035 231 V CB -0.590 31.133 31.823 -0.165 0.000 0.658 231 V HN 0.464 nan 8.190 nan 0.000 0.452 232 R N -0.091 120.306 120.500 -0.172 0.000 2.105 232 R HA -0.186 4.155 4.340 0.002 0.000 0.239 232 R C 2.492 178.671 176.300 -0.203 0.000 1.135 232 R CA 1.693 57.682 56.100 -0.185 0.000 0.967 232 R CB -0.381 29.808 30.300 -0.185 0.000 0.861 232 R HN 0.436 nan 8.270 nan 0.000 0.442 233 R N 1.354 121.752 120.500 -0.169 0.000 2.075 233 R HA -0.143 4.198 4.340 0.002 0.000 0.232 233 R C 2.608 178.791 176.300 -0.196 0.000 1.126 233 R CA 2.097 58.100 56.100 -0.163 0.000 0.963 233 R CB -0.160 30.072 30.300 -0.114 0.000 0.858 233 R HN 0.106 nan 8.270 nan 0.000 0.435 234 K N 0.083 120.376 120.400 -0.179 0.000 2.057 234 K HA -0.060 4.261 4.320 0.002 0.000 0.207 234 K C 2.014 178.252 176.600 -0.604 0.000 1.049 234 K CA 1.829 58.002 56.287 -0.191 0.000 0.931 234 K CB -1.121 31.363 32.500 -0.026 0.000 0.714 234 K HN 0.137 nan 8.250 nan 0.000 0.440 235 V N 0.923 120.422 119.914 -0.690 0.000 2.407 235 V HA -0.192 3.929 4.120 0.002 0.000 0.248 235 V C 2.923 178.471 176.094 -0.910 0.000 1.055 235 V CA 1.806 63.382 62.300 -1.207 0.000 1.049 235 V CB -0.842 30.704 31.823 -0.462 0.000 0.662 235 V HN 0.685 nan 8.190 nan 0.000 0.455 236 A N 0.030 122.564 122.820 -0.477 0.000 1.883 236 A HA -0.162 4.159 4.320 0.002 0.000 0.217 236 A C 2.207 179.643 177.584 -0.247 0.000 1.186 236 A CA 1.827 53.690 52.037 -0.290 0.000 0.624 236 A CB -0.552 18.322 19.000 -0.210 0.000 0.822 236 A HN 0.471 nan 8.150 nan 0.000 0.444 237 L N -0.891 120.185 121.223 -0.245 0.000 2.093 237 L HA -0.144 4.197 4.340 0.002 0.000 0.208 237 L C 2.471 179.335 176.870 -0.011 0.000 1.085 237 L CA 1.773 56.548 54.840 -0.109 0.000 0.755 237 L CB -0.848 41.175 42.059 -0.060 0.000 0.904 237 L HN 0.712 nan 8.230 nan 0.000 0.435 238 F N -0.798 119.155 119.950 0.006 0.000 2.789 238 F HA 0.072 4.600 4.527 0.001 0.000 0.300 238 F C 2.081 177.893 175.800 0.021 0.000 1.132 238 F CA 0.598 58.607 58.000 0.015 0.000 1.404 238 F CB -1.564 37.450 39.000 0.024 0.000 1.114 238 F HN -0.034 nan 8.300 nan 0.000 0.584 239 T N -4.309 110.348 114.554 0.172 0.000 3.022 239 T HA 0.183 4.534 4.350 0.002 0.000 0.250 239 T C 0.648 175.395 174.700 0.079 0.000 1.060 239 T CA 0.401 62.604 62.100 0.171 0.000 1.013 239 T CB -0.319 68.611 68.868 0.103 0.000 0.982 239 T HN 0.261 nan 8.240 nan 0.000 0.508 240 N N -0.120 118.602 118.700 0.037 0.000 3.003 240 N HA -0.106 4.635 4.740 0.002 0.000 0.237 240 N C -0.661 174.854 175.510 0.009 0.000 0.969 240 N CA 0.591 53.653 53.050 0.020 0.000 0.941 240 N CB -1.808 36.696 38.487 0.029 0.000 1.098 240 N HN 0.446 nan 8.380 nan 0.000 0.563 241 V N 1.421 121.330 119.914 -0.007 0.000 2.472 241 V HA 0.323 4.444 4.120 0.002 0.000 0.290 241 V C 1.148 177.212 176.094 -0.050 0.000 1.037 241 V CA -0.703 61.600 62.300 0.005 0.000 0.908 241 V CB 1.795 33.633 31.823 0.025 0.000 0.985 241 V HN 0.059 nan 8.190 nan 0.000 0.454 242 R N 4.614 125.074 120.500 -0.067 0.000 2.583 242 R HA 0.038 4.378 4.340 0.002 0.000 0.274 242 R C -1.576 174.616 176.300 -0.180 0.000 0.998 242 R CA -0.811 55.187 56.100 -0.170 0.000 1.081 242 R CB 0.210 30.289 30.300 -0.369 0.000 0.940 242 R HN 0.497 nan 8.270 nan 0.000 0.413 243 P HA -0.179 nan 4.420 nan 0.000 0.216 243 P C 1.037 178.199 177.300 -0.230 0.000 1.153 243 P CA 1.475 64.464 63.100 -0.186 0.000 0.858 243 P CB 0.146 31.755 31.700 -0.151 0.000 0.789 244 G N -2.282 106.380 108.800 -0.229 0.000 2.776 244 G HA2 -0.171 3.790 3.960 0.002 0.000 0.209 244 G HA3 -0.171 3.790 3.960 0.002 0.000 0.209 244 G C 0.778 175.542 174.900 -0.225 0.000 1.145 244 G CA 0.317 45.288 45.100 -0.216 0.000 0.791 244 G HN 0.445 nan 8.290 nan 0.000 0.530 245 H N -1.082 117.780 119.070 -0.347 0.000 2.505 245 H HA 0.341 4.898 4.556 0.002 0.000 0.286 245 H C -0.514 174.518 175.328 -0.493 0.000 1.072 245 H CA -0.581 55.268 56.048 -0.332 0.000 1.141 245 H CB 1.118 30.848 29.762 -0.052 0.000 1.550 245 H HN 0.074 nan 8.280 nan 0.000 0.547 246 V N 1.943 121.494 119.914 -0.606 0.000 2.384 246 V HA 0.245 4.366 4.120 0.002 0.000 0.287 246 V C -0.608 175.092 176.094 -0.657 0.000 1.020 246 V CA -0.441 61.603 62.300 -0.427 0.000 0.850 246 V CB 0.769 32.436 31.823 -0.261 0.000 0.987 246 V HN 0.176 nan 8.190 nan 0.000 0.436 247 F N 1.138 121.079 119.950 -0.015 0.000 2.639 247 F HA 0.677 5.205 4.527 0.002 0.000 0.339 247 F C 0.693 176.469 175.800 -0.039 0.000 1.071 247 F CA -0.709 57.274 58.000 -0.029 0.000 0.994 247 F CB 1.954 40.937 39.000 -0.029 0.000 1.341 247 F HN 0.313 nan 8.300 nan 0.000 0.498 248 S N -0.139 115.667 115.700 0.177 0.000 2.593 248 S HA 0.539 5.010 4.470 0.002 0.000 0.297 248 S C -0.718 173.915 174.600 0.054 0.000 1.112 248 S CA -0.698 57.544 58.200 0.071 0.000 1.043 248 S CB 1.621 64.836 63.200 0.025 0.000 1.054 248 S HN 0.510 nan 8.310 nan 0.000 0.516 249 S N 3.259 118.975 115.700 0.027 0.000 2.279 249 S HA 0.408 4.879 4.470 0.002 0.000 0.176 249 S C -2.836 171.764 174.600 0.001 0.000 1.554 249 S CA -1.395 56.806 58.200 0.001 0.000 1.242 249 S CB 0.328 63.520 63.200 -0.013 0.000 1.163 249 S HN 0.437 nan 8.310 nan 0.000 0.449 250 P HA 0.209 nan 4.420 nan 0.000 0.276 250 P C 0.071 177.359 177.300 -0.019 0.000 1.244 250 P CA -0.172 62.925 63.100 -0.006 0.000 0.801 250 P CB 0.732 32.427 31.700 -0.008 0.000 1.006 251 T N -0.057 114.482 114.554 -0.025 0.000 2.919 251 T HA 0.412 4.763 4.350 0.002 0.000 0.302 251 T C 0.121 174.797 174.700 -0.041 0.000 1.031 251 T CA -0.271 61.809 62.100 -0.033 0.000 1.127 251 T CB -0.245 68.602 68.868 -0.034 0.000 0.952 251 T HN 0.363 nan 8.240 nan 0.000 0.540 252 V N 1.729 121.615 119.914 -0.048 0.000 3.102 252 V HA 0.586 4.707 4.120 0.002 0.000 0.312 252 V C 1.122 177.151 176.094 -0.108 0.000 1.135 252 V CA -0.802 61.462 62.300 -0.061 0.000 1.022 252 V CB 1.594 33.397 31.823 -0.033 0.000 1.056 252 V HN 0.993 nan 8.190 nan 0.000 0.436 253 E N -0.100 119.991 120.200 -0.181 0.000 2.046 253 E HA -0.045 4.306 4.350 0.002 0.000 0.190 253 E C 0.022 176.311 176.600 -0.520 0.000 0.982 253 E CA 0.861 57.033 56.400 -0.381 0.000 0.800 253 E CB 0.128 29.516 29.700 -0.520 0.000 0.756 253 E HN 0.819 nan 8.360 nan 0.000 0.449 254 H N 0.071 119.116 119.070 -0.040 0.000 2.505 254 H HA 0.152 4.709 4.556 0.002 0.000 0.338 254 H C 1.078 176.386 175.328 -0.033 0.000 1.057 254 H CA -0.358 55.647 56.048 -0.073 0.000 1.202 254 H CB 1.771 31.479 29.762 -0.089 0.000 1.466 254 H HN 0.105 nan 8.280 nan 0.000 0.499 255 L N 1.735 122.995 121.223 0.062 0.000 2.081 255 L HA -0.256 4.085 4.340 0.002 0.000 0.212 255 L C 1.798 178.865 176.870 0.330 0.000 1.080 255 L CA 1.643 56.575 54.840 0.153 0.000 0.754 255 L CB -0.471 41.721 42.059 0.221 0.000 0.893 255 L HN 0.667 nan 8.230 nan 0.000 0.433 256 Y N -0.098 120.332 120.300 0.217 0.000 2.556 256 Y HA -0.221 4.330 4.550 0.001 0.000 0.290 256 Y C 2.394 178.341 175.900 0.078 0.000 1.149 256 Y CA 0.051 58.247 58.100 0.160 0.000 1.329 256 Y CB -0.258 38.327 38.460 0.208 0.000 0.975 256 Y HN 0.365 nan 8.280 nan 0.000 0.561 257 E N -0.138 120.196 120.200 0.223 0.000 2.158 257 E HA -0.128 4.223 4.350 0.002 0.000 0.191 257 E C 2.170 178.795 176.600 0.041 0.000 0.982 257 E CA 0.681 57.151 56.400 0.118 0.000 0.823 257 E CB 0.025 29.783 29.700 0.096 0.000 0.766 257 E HN 0.228 nan 8.360 nan 0.000 0.468 258 V N 2.355 122.288 119.914 0.031 0.000 2.231 258 V HA -0.266 3.854 4.120 0.002 0.000 0.250 258 V C -0.640 175.391 176.094 -0.104 0.000 1.058 258 V CA 2.427 64.701 62.300 -0.043 0.000 1.022 258 V CB -1.723 30.057 31.823 -0.070 0.000 0.640 258 V HN 0.300 nan 8.190 nan 0.000 0.445 259 P HA -0.159 nan 4.420 nan 0.000 0.215 259 P C 1.917 179.120 177.300 -0.162 0.000 1.157 259 P CA 1.446 64.403 63.100 -0.237 0.000 0.868 259 P CB -0.108 31.312 31.700 -0.466 0.000 0.788 260 L N -0.372 120.785 121.223 -0.110 0.000 2.042 260 L HA -0.141 4.200 4.340 0.002 0.000 0.210 260 L C 2.788 179.638 176.870 -0.032 0.000 1.076 260 L CA 1.547 56.367 54.840 -0.033 0.000 0.749 260 L CB -1.795 40.279 42.059 0.026 0.000 0.893 260 L HN -0.053 nan 8.230 nan 0.000 0.432 261 L N -1.632 119.568 121.223 -0.038 0.000 2.027 261 L HA -0.195 4.146 4.340 0.002 0.000 0.206 261 L C 2.339 179.172 176.870 -0.061 0.000 1.074 261 L CA 1.387 56.207 54.840 -0.033 0.000 0.745 261 L CB -0.179 41.864 42.059 -0.026 0.000 0.898 261 L HN 0.195 nan 8.230 nan 0.000 0.433 262 L N 0.096 121.254 121.223 -0.108 0.000 2.141 262 L HA -0.183 4.158 4.340 0.002 0.000 0.209 262 L C 2.603 179.352 176.870 -0.201 0.000 1.094 262 L CA 1.248 55.979 54.840 -0.181 0.000 0.763 262 L CB -0.503 41.420 42.059 -0.226 0.000 0.908 262 L HN 0.373 nan 8.230 nan 0.000 0.437 263 E N 0.629 120.746 120.200 -0.138 0.000 2.107 263 E HA -0.257 4.094 4.350 0.002 0.000 0.191 263 E C 1.917 178.480 176.600 -0.060 0.000 0.982 263 E CA 1.221 57.558 56.400 -0.105 0.000 0.809 263 E CB 0.060 29.723 29.700 -0.062 0.000 0.756 263 E HN 0.359 nan 8.360 nan 0.000 0.459 264 E N 0.782 120.959 120.200 -0.037 0.000 2.058 264 E HA -0.249 4.102 4.350 0.002 0.000 0.194 264 E C 1.934 178.545 176.600 0.018 0.000 0.997 264 E CA 2.009 58.407 56.400 -0.003 0.000 0.801 264 E CB -0.331 29.371 29.700 0.004 0.000 0.746 264 E HN 0.439 nan 8.360 nan 0.000 0.450 265 Q N -1.185 118.627 119.800 0.020 0.000 2.291 265 Q HA 0.075 4.415 4.340 0.002 0.000 0.205 265 Q C 0.953 177.061 176.000 0.181 0.000 0.970 265 Q CA 0.837 56.711 55.803 0.117 0.000 0.876 265 Q CB 0.190 29.049 28.738 0.200 0.000 0.935 265 Q HN 0.521 nan 8.270 nan 0.000 0.455 266 G N 0.300 109.114 108.800 0.023 0.000 2.143 266 G HA2 -0.218 3.743 3.960 0.002 0.000 0.175 266 G HA3 -0.218 3.743 3.960 0.002 0.000 0.175 266 G C 0.373 175.191 174.900 -0.138 0.000 1.004 266 G CA 0.130 45.261 45.100 0.052 0.000 0.671 266 G HN 0.256 nan 8.290 nan 0.000 0.512 267 L N 1.389 122.243 121.223 -0.616 0.000 2.046 267 L HA 0.271 4.612 4.340 0.002 0.000 0.208 267 L C 2.591 179.250 176.870 -0.352 0.000 1.077 267 L CA 3.494 57.803 54.840 -0.885 0.000 0.747 267 L CB -0.903 40.605 42.059 -0.920 0.000 0.896 267 L HN 0.359 nan 8.230 nan 0.000 0.432 268 G N -0.984 107.678 108.800 -0.230 0.000 2.446 268 G HA2 -0.331 3.630 3.960 0.002 0.000 0.217 268 G HA3 -0.331 3.630 3.960 0.002 0.000 0.217 268 G C 1.765 176.629 174.900 -0.060 0.000 1.168 268 G CA 0.906 45.933 45.100 -0.123 0.000 0.771 268 G HN 0.340 nan 8.290 nan 0.000 0.551 269 R N 0.543 121.028 120.500 -0.025 0.000 2.080 269 R HA -0.007 4.334 4.340 0.002 0.000 0.236 269 R C 3.021 179.353 176.300 0.054 0.000 1.137 269 R CA 1.706 57.825 56.100 0.031 0.000 0.943 269 R CB -0.602 29.734 30.300 0.060 0.000 0.846 269 R HN 0.328 nan 8.270 nan 0.000 0.431 270 A N -0.253 122.615 122.820 0.080 0.000 1.908 270 A HA -0.149 4.172 4.320 0.002 0.000 0.218 270 A C 2.304 179.870 177.584 -0.029 0.000 1.181 270 A CA 1.827 53.931 52.037 0.112 0.000 0.627 270 A CB -0.702 18.425 19.000 0.211 0.000 0.818 270 A HN 0.180 nan 8.150 nan 0.000 0.445 271 V N -0.143 119.720 119.914 -0.085 0.000 2.343 271 V HA -0.271 3.850 4.120 0.002 0.000 0.247 271 V C 2.413 178.462 176.094 -0.075 0.000 1.051 271 V CA 2.291 64.525 62.300 -0.110 0.000 1.036 271 V CB -0.849 30.887 31.823 -0.146 0.000 0.654 271 V HN 0.639 nan 8.190 nan 0.000 0.451 272 E N 0.043 120.219 120.200 -0.040 0.000 2.038 272 E HA -0.280 4.071 4.350 0.002 0.000 0.195 272 E C 2.617 179.225 176.600 0.013 0.000 1.000 272 E CA 2.032 58.426 56.400 -0.009 0.000 0.803 272 E CB -0.306 29.419 29.700 0.041 0.000 0.750 272 E HN 0.625 nan 8.360 nan 0.000 0.448 273 R N 0.878 121.403 120.500 0.041 0.000 2.080 273 R HA -0.056 4.285 4.340 0.002 0.000 0.236 273 R C 2.340 178.680 176.300 0.066 0.000 1.137 273 R CA 1.883 58.023 56.100 0.067 0.000 0.943 273 R CB -1.736 28.628 30.300 0.106 0.000 0.846 273 R HN 0.296 nan 8.270 nan 0.000 0.431 274 A N 0.425 123.285 122.820 0.066 0.000 2.032 274 A HA 0.058 4.379 4.320 0.002 0.000 0.221 274 A C 2.247 179.853 177.584 0.038 0.000 1.165 274 A CA 1.505 53.583 52.037 0.068 0.000 0.645 274 A CB -0.229 18.782 19.000 0.019 0.000 0.807 274 A HN 0.476 nan 8.150 nan 0.000 0.453 275 L N -1.348 119.875 121.223 -0.001 0.000 2.607 275 L HA 0.231 4.572 4.340 0.002 0.000 0.228 275 L C 1.430 178.298 176.870 -0.004 0.000 1.123 275 L CA 0.354 55.181 54.840 -0.022 0.000 0.890 275 L CB -0.128 41.875 42.059 -0.094 0.000 1.103 275 L HN 0.543 nan 8.230 nan 0.000 0.468 276 G N 1.398 110.209 108.800 0.019 0.000 2.246 276 G HA2 -0.274 3.687 3.960 0.002 0.000 0.273 276 G HA3 -0.274 3.687 3.960 0.002 0.000 0.273 276 G C -0.146 174.772 174.900 0.030 0.000 1.055 276 G CA 0.024 45.141 45.100 0.029 0.000 0.851 276 G HN 0.259 nan 8.290 nan 0.000 0.500 277 L N -0.347 120.897 121.223 0.035 0.000 2.329 277 L HA 0.763 5.104 4.340 0.002 0.000 0.279 277 L C 0.837 177.755 176.870 0.079 0.000 1.014 277 L CA -0.550 54.333 54.840 0.071 0.000 0.814 277 L CB 1.402 43.516 42.059 0.091 0.000 1.257 277 L HN 0.369 nan 8.230 nan 0.000 0.424 278 E N 2.158 122.404 120.200 0.077 0.000 2.376 278 E HA 0.468 4.819 4.350 0.002 0.000 0.266 278 E C 0.411 177.049 176.600 0.063 0.000 1.009 278 E CA -0.050 56.384 56.400 0.057 0.000 0.902 278 E CB 0.714 30.437 29.700 0.039 0.000 0.972 278 E HN 0.762 nan 8.360 nan 0.000 0.439 279 A N 2.054 124.904 122.820 0.050 0.000 2.580 279 A HA 0.403 4.724 4.320 0.002 0.000 0.244 279 A C 0.159 177.762 177.584 0.032 0.000 1.045 279 A CA 0.265 52.330 52.037 0.047 0.000 0.761 279 A CB -0.023 18.999 19.000 0.037 0.000 0.962 279 A HN 0.958 nan 8.150 nan 0.000 0.512 280 V N 5.024 124.959 119.914 0.035 0.000 2.487 280 V HA 0.272 4.393 4.120 0.002 0.000 0.298 280 V C 0.112 176.213 176.094 0.011 0.000 1.028 280 V CA -0.381 61.920 62.300 0.002 0.000 0.860 280 V CB 1.717 33.515 31.823 -0.041 0.000 0.991 280 V HN 0.733 nan 8.190 nan 0.000 0.427 281 I N 8.053 128.624 120.570 0.002 0.000 2.421 281 I HA 0.222 4.393 4.170 0.002 0.000 0.291 281 I C -1.647 174.477 176.117 0.012 0.000 1.089 281 I CA -1.276 60.030 61.300 0.011 0.000 1.354 281 I CB 0.996 39.001 38.000 0.008 0.000 1.413 281 I HN 0.455 nan 8.210 nan 0.000 0.513 282 P HA 0.035 nan 4.420 nan 0.000 0.271 282 P C -0.987 176.341 177.300 0.048 0.000 1.218 282 P CA -0.357 62.767 63.100 0.039 0.000 0.780 282 P CB 0.790 32.520 31.700 0.051 0.000 0.901 283 N N 2.560 121.294 118.700 0.057 0.000 2.546 283 N HA 0.230 4.971 4.740 0.002 0.000 0.238 283 N C 0.284 175.861 175.510 0.112 0.000 0.984 283 N CA -0.498 52.589 53.050 0.060 0.000 0.935 283 N CB 0.130 38.638 38.487 0.034 0.000 1.122 283 N HN 0.324 nan 8.380 nan 0.000 0.510 284 L N 2.938 124.240 121.223 0.131 0.000 2.818 284 L HA 0.121 4.462 4.340 0.002 0.000 0.243 284 L C 2.062 179.025 176.870 0.156 0.000 1.185 284 L CA -0.179 54.798 54.840 0.229 0.000 0.988 284 L CB 0.062 42.253 42.059 0.220 0.000 1.292 284 L HN 0.577 nan 8.230 nan 0.000 0.519 285 S N 0.719 116.470 115.700 0.084 0.000 2.380 285 S HA -0.302 4.169 4.470 0.002 0.000 0.229 285 S C 1.852 176.455 174.600 0.004 0.000 1.043 285 S CA 1.382 59.607 58.200 0.042 0.000 1.038 285 S CB -0.673 62.546 63.200 0.031 0.000 0.872 285 S HN 0.488 nan 8.310 nan 0.000 0.456 286 F N 1.690 121.535 119.950 -0.173 0.000 2.069 286 F HA 0.001 4.529 4.527 0.002 0.000 0.298 286 F C 1.998 177.597 175.800 -0.335 0.000 1.113 286 F CA 0.973 58.769 58.000 -0.340 0.000 1.214 286 F CB -1.063 37.580 39.000 -0.595 0.000 0.978 286 F HN 0.222 nan 8.300 nan 0.000 0.474 287 W N 0.897 121.914 121.300 -0.473 0.000 2.338 287 W HA -0.193 4.468 4.660 0.001 0.000 0.304 287 W C 2.621 178.948 176.519 -0.320 0.000 1.212 287 W CA 1.431 58.465 57.345 -0.518 0.000 1.264 287 W CB -0.874 28.463 29.460 -0.205 0.000 1.142 287 W HN 0.115 nan 8.180 nan 0.000 0.512 288 Q N -0.096 119.713 119.800 0.015 0.000 2.084 288 Q HA -0.210 4.131 4.340 0.002 0.000 0.202 288 Q C 2.553 178.524 176.000 -0.047 0.000 0.978 288 Q CA 2.367 58.178 55.803 0.012 0.000 0.844 288 Q CB -0.620 28.137 28.738 0.030 0.000 0.898 288 Q HN 0.539 nan 8.270 nan 0.000 0.426 289 E N 0.765 120.896 120.200 -0.114 0.000 2.072 289 E HA -0.057 4.294 4.350 0.002 0.000 0.191 289 E C 1.954 178.469 176.600 -0.142 0.000 0.985 289 E CA 1.149 57.488 56.400 -0.101 0.000 0.801 289 E CB -0.829 28.822 29.700 -0.081 0.000 0.750 289 E HN 0.484 nan 8.360 nan 0.000 0.452 290 A N 0.406 123.041 122.820 -0.308 0.000 1.933 290 A HA 0.009 4.330 4.320 0.002 0.000 0.218 290 A C 2.669 180.209 177.584 -0.074 0.000 1.175 290 A CA 1.809 53.697 52.037 -0.248 0.000 0.628 290 A CB -0.440 18.233 19.000 -0.546 0.000 0.814 290 A HN 0.475 nan 8.150 nan 0.000 0.444 291 V N -0.392 119.499 119.914 -0.038 0.000 2.719 291 V HA -0.146 3.975 4.120 0.002 0.000 0.252 291 V C 3.223 179.283 176.094 -0.057 0.000 1.065 291 V CA 2.027 64.316 62.300 -0.018 0.000 1.086 291 V CB -1.359 30.501 31.823 0.061 0.000 0.700 291 V HN 0.725 nan 8.190 nan 0.000 0.467 292 R N 0.006 120.492 120.500 -0.023 0.000 2.066 292 R HA -0.101 4.240 4.340 0.002 0.000 0.232 292 R C 2.304 178.611 176.300 0.012 0.000 1.131 292 R CA 1.852 57.968 56.100 0.027 0.000 0.955 292 R CB -1.421 28.908 30.300 0.048 0.000 0.851 292 R HN 0.402 nan 8.270 nan 0.000 0.432 293 V N 1.262 121.164 119.914 -0.020 0.000 2.407 293 V HA -0.201 3.920 4.120 0.002 0.000 0.248 293 V C 2.610 178.660 176.094 -0.074 0.000 1.055 293 V CA 1.859 64.147 62.300 -0.020 0.000 1.049 293 V CB -0.456 31.354 31.823 -0.021 0.000 0.662 293 V HN 0.497 nan 8.190 nan 0.000 0.455 294 L N -0.710 120.413 121.223 -0.167 0.000 2.093 294 L HA -0.139 4.202 4.340 0.002 0.000 0.208 294 L C 2.508 179.177 176.870 -0.336 0.000 1.085 294 L CA 1.560 56.194 54.840 -0.344 0.000 0.755 294 L CB -0.455 41.200 42.059 -0.674 0.000 0.904 294 L HN 0.269 nan 8.230 nan 0.000 0.435 295 K N -1.357 118.876 120.400 -0.280 0.000 2.243 295 K HA 0.017 4.338 4.320 0.002 0.000 0.201 295 K C 0.151 176.474 176.600 -0.462 0.000 1.051 295 K CA 0.628 56.735 56.287 -0.299 0.000 0.970 295 K CB 0.245 32.522 32.500 -0.372 0.000 0.755 295 K HN 0.296 nan 8.250 nan 0.000 0.465 296 H N 0.923 119.988 119.070 -0.007 0.000 2.348 296 H HA 0.218 4.775 4.556 0.002 0.000 0.232 296 H C -2.483 172.838 175.328 -0.011 0.000 1.419 296 H CA -2.346 53.701 56.048 -0.001 0.000 1.416 296 H CB 0.335 30.097 29.762 0.000 0.000 1.510 296 H HN 0.118 nan 8.280 nan 0.000 0.507 297 P HA 0.015 nan 4.420 nan 0.000 0.269 297 P C 0.961 178.286 177.300 0.041 0.000 1.209 297 P CA 0.044 63.163 63.100 0.032 0.000 0.776 297 P CB 2.062 33.770 31.700 0.012 0.000 0.876 298 E N 1.772 121.986 120.200 0.023 0.000 2.076 298 E HA -0.080 4.271 4.350 0.002 0.000 0.190 298 E C 0.504 177.109 176.600 0.009 0.000 0.979 298 E CA 0.784 57.193 56.400 0.016 0.000 0.807 298 E CB 0.369 30.073 29.700 0.006 0.000 0.761 298 E HN 0.440 nan 8.360 nan 0.000 0.454 299 R N -1.597 118.904 120.500 0.002 0.000 3.003 299 R HA 0.507 4.848 4.340 0.002 0.000 0.251 299 R C -1.140 175.157 176.300 -0.005 0.000 1.265 299 R CA -0.720 55.377 56.100 -0.004 0.000 1.026 299 R CB 2.042 32.334 30.300 -0.014 0.000 1.307 299 R HN -0.188 nan 8.270 nan 0.000 0.475 300 T N 0.968 115.516 114.554 -0.011 0.000 3.295 300 T HA 0.409 4.760 4.350 0.002 0.000 0.331 300 T C -1.472 173.215 174.700 -0.022 0.000 1.142 300 T CA -0.828 61.265 62.100 -0.013 0.000 1.078 300 T CB 1.609 70.477 68.868 -0.000 0.000 1.150 300 T HN 0.472 nan 8.240 nan 0.000 0.465 301 V N -1.593 118.298 119.914 -0.038 0.000 2.841 301 V HA 1.052 5.173 4.120 0.002 0.000 0.310 301 V C -0.513 175.542 176.094 -0.064 0.000 1.090 301 V CA -1.147 61.121 62.300 -0.054 0.000 0.930 301 V CB 1.257 33.024 31.823 -0.092 0.000 1.014 301 V HN 1.092 nan 8.190 nan 0.000 0.425 302 K N 3.230 123.597 120.400 -0.056 0.000 2.164 302 K HA 0.945 5.266 4.320 0.002 0.000 0.258 302 K C -0.807 175.734 176.600 -0.097 0.000 0.951 302 K CA -0.057 56.194 56.287 -0.060 0.000 0.844 302 K CB 1.699 34.185 32.500 -0.024 0.000 1.099 302 K HN 1.825 nan 8.250 nan 0.000 0.435 303 I N -1.870 118.633 120.570 -0.111 0.000 2.892 303 I HA 0.868 5.039 4.170 0.002 0.000 0.306 303 I C -0.034 176.016 176.117 -0.110 0.000 1.078 303 I CA -1.349 59.881 61.300 -0.117 0.000 1.032 303 I CB 2.375 40.314 38.000 -0.101 0.000 1.229 303 I HN 0.639 nan 8.210 nan 0.000 0.435 304 A N 5.045 127.806 122.820 -0.098 0.000 2.324 304 A HA 0.852 5.173 4.320 0.002 0.000 0.330 304 A C -0.535 176.934 177.584 -0.191 0.000 1.165 304 A CA -0.570 51.400 52.037 -0.112 0.000 0.813 304 A CB 0.553 19.585 19.000 0.054 0.000 1.197 304 A HN 0.728 nan 8.150 nan 0.000 0.484 305 I N 2.471 122.853 120.570 -0.313 0.000 2.371 305 I HA 0.311 4.482 4.170 0.002 0.000 0.282 305 I C 0.674 176.691 176.117 -0.165 0.000 1.031 305 I CA -0.261 60.814 61.300 -0.376 0.000 1.180 305 I CB 1.603 39.148 38.000 -0.757 0.000 1.336 305 I HN 0.718 nan 8.210 nan 0.000 0.467 306 A N 5.845 128.618 122.820 -0.079 0.000 2.990 306 A HA 0.559 4.879 4.320 0.002 0.000 0.282 306 A C 0.651 178.228 177.584 -0.012 0.000 1.688 306 A CA -0.224 51.830 52.037 0.028 0.000 1.391 306 A CB -0.707 18.346 19.000 0.088 0.000 1.112 306 A HN 0.760 nan 8.150 nan 0.000 0.588 307 G N 0.101 108.930 108.800 0.050 0.000 2.410 307 G HA2 0.406 4.367 3.960 0.002 0.000 0.330 307 G HA3 0.406 4.367 3.960 0.002 0.000 0.330 307 G C 0.639 175.585 174.900 0.078 0.000 1.142 307 G CA -0.549 44.608 45.100 0.096 0.000 0.902 307 G HN 0.606 nan 8.290 nan 0.000 0.491 308 K N -0.068 120.295 120.400 -0.061 0.000 2.432 308 K HA 0.061 4.382 4.320 0.002 0.000 0.196 308 K C -0.470 175.770 176.600 -0.599 0.000 1.038 308 K CA 0.609 56.636 56.287 -0.432 0.000 0.986 308 K CB -0.025 32.033 32.500 -0.736 0.000 0.782 308 K HN 0.547 nan 8.250 nan 0.000 0.485 309 Y N 0.226 120.672 120.300 0.243 0.000 2.658 309 Y HA 0.265 4.816 4.550 0.001 0.000 0.362 309 Y C -0.244 175.788 175.900 0.219 0.000 1.017 309 Y CA -1.067 57.121 58.100 0.147 0.000 1.134 309 Y CB 0.705 39.154 38.460 -0.017 0.000 1.144 309 Y HN -0.313 nan 8.280 nan 0.000 0.655 314 D N -0.540 119.859 120.400 -0.001 0.000 3.046 314 D HA -0.216 4.425 4.640 0.002 0.000 0.210 314 D C 1.123 177.400 176.300 -0.038 0.000 1.124 314 D CA 1.415 55.426 54.000 0.019 0.000 0.986 314 D CB -1.256 39.550 40.800 0.010 0.000 1.118 314 D HN 0.594 nan 8.370 nan 0.000 0.416 315 A N -0.367 122.377 122.820 -0.128 0.000 1.972 315 A HA -0.111 4.209 4.320 0.002 0.000 0.219 315 A C 1.215 178.595 177.584 -0.340 0.000 1.169 315 A CA 1.196 53.038 52.037 -0.324 0.000 0.635 315 A CB -0.296 18.387 19.000 -0.528 0.000 0.810 315 A HN 0.362 nan 8.150 nan 0.000 0.446 316 Y N -1.172 119.245 120.300 0.195 0.000 2.699 316 Y HA 0.325 4.876 4.550 0.001 0.000 0.282 316 Y C 1.149 177.156 175.900 0.177 0.000 1.058 316 Y CA -1.090 57.152 58.100 0.237 0.000 1.194 316 Y CB -0.130 38.549 38.460 0.365 0.000 1.193 316 Y HN 0.203 nan 8.280 nan 0.000 0.562 317 L N 0.363 121.709 121.223 0.204 0.000 1.963 317 L HA -0.279 4.062 4.340 0.002 0.000 0.220 317 L C 2.147 179.111 176.870 0.156 0.000 1.076 317 L CA 2.236 57.169 54.840 0.154 0.000 0.772 317 L CB -0.903 41.190 42.059 0.056 0.000 0.892 317 L HN 0.228 nan 8.230 nan 0.000 0.435 318 S N -0.695 115.112 115.700 0.179 0.000 2.383 318 S HA -0.181 4.290 4.470 0.002 0.000 0.229 318 S C 1.788 176.422 174.600 0.057 0.000 1.030 318 S CA 1.432 59.744 58.200 0.188 0.000 1.002 318 S CB -0.592 62.852 63.200 0.406 0.000 0.829 318 S HN 0.444 nan 8.310 nan 0.000 0.467 319 L N 1.942 123.231 121.223 0.109 0.000 1.970 319 L HA -0.045 4.295 4.340 0.002 0.000 0.212 319 L C 2.000 178.884 176.870 0.023 0.000 1.071 319 L CA 1.726 56.618 54.840 0.085 0.000 0.751 319 L CB -0.680 41.533 42.059 0.258 0.000 0.889 319 L HN 0.278 nan 8.230 nan 0.000 0.432 320 L N -0.666 120.628 121.223 0.119 0.000 2.127 320 L HA -0.193 4.148 4.340 0.002 0.000 0.211 320 L C 2.615 179.461 176.870 -0.040 0.000 1.089 320 L CA 0.955 55.847 54.840 0.087 0.000 0.757 320 L CB -0.731 41.445 42.059 0.195 0.000 0.899 320 L HN 0.365 nan 8.230 nan 0.000 0.434 321 E N 0.210 120.354 120.200 -0.093 0.000 2.072 321 E HA -0.159 4.192 4.350 0.002 0.000 0.191 321 E C 2.334 178.408 176.600 -0.878 0.000 0.985 321 E CA 1.322 57.546 56.400 -0.294 0.000 0.801 321 E CB -0.134 29.535 29.700 -0.053 0.000 0.750 321 E HN 0.452 nan 8.360 nan 0.000 0.452 322 A N 1.170 123.600 122.820 -0.650 0.000 1.902 322 A HA -0.151 4.170 4.320 0.002 0.000 0.217 322 A C 2.397 179.701 177.584 -0.467 0.000 1.181 322 A CA 1.132 52.702 52.037 -0.779 0.000 0.623 322 A CB -0.726 17.395 19.000 -1.464 0.000 0.818 322 A HN 0.189 nan 8.150 nan 0.000 0.443 323 L N -1.096 119.998 121.223 -0.216 0.000 2.046 323 L HA -0.183 4.158 4.340 0.002 0.000 0.208 323 L C 2.809 179.674 176.870 -0.009 0.000 1.077 323 L CA 1.785 56.657 54.840 0.054 0.000 0.747 323 L CB -0.458 41.665 42.059 0.106 0.000 0.896 323 L HN 0.493 nan 8.230 nan 0.000 0.432 324 R N -0.275 120.169 120.500 -0.094 0.000 2.081 324 R HA -0.175 4.166 4.340 0.002 0.000 0.235 324 R C 2.237 178.598 176.300 0.101 0.000 1.131 324 R CA 1.730 57.821 56.100 -0.015 0.000 0.960 324 R CB -0.351 29.937 30.300 -0.020 0.000 0.856 324 R HN 0.496 nan 8.270 nan 0.000 0.436 325 H N -0.643 118.481 119.070 0.090 0.000 2.421 325 H HA -0.050 4.507 4.556 0.001 0.000 0.298 325 H C 2.068 177.431 175.328 0.058 0.000 1.087 325 H CA 0.791 56.894 56.048 0.091 0.000 1.330 325 H CB 0.051 29.840 29.762 0.044 0.000 1.388 325 H HN 0.416 nan 8.280 nan 0.000 0.526 326 A N 0.924 123.834 122.820 0.150 0.000 1.872 326 A HA -0.051 4.270 4.320 0.002 0.000 0.214 326 A C 2.694 180.319 177.584 0.069 0.000 1.187 326 A CA 1.239 53.345 52.037 0.114 0.000 0.614 326 A CB -1.122 17.973 19.000 0.159 0.000 0.826 326 A HN 0.479 nan 8.150 nan 0.000 0.442 327 G N 0.083 108.917 108.800 0.055 0.000 2.442 327 G HA2 -0.210 3.751 3.960 0.002 0.000 0.219 327 G HA3 -0.210 3.751 3.960 0.002 0.000 0.219 327 G C 1.518 176.435 174.900 0.027 0.000 1.141 327 G CA 1.155 46.269 45.100 0.022 0.000 0.763 327 G HN 0.470 nan 8.290 nan 0.000 0.554 328 I N 0.292 120.897 120.570 0.058 0.000 2.226 328 I HA -0.131 4.040 4.170 0.002 0.000 0.245 328 I C 2.643 178.786 176.117 0.044 0.000 1.100 328 I CA 1.437 62.770 61.300 0.055 0.000 1.374 328 I CB -0.089 37.972 38.000 0.101 0.000 1.057 328 I HN 0.115 nan 8.210 nan 0.000 0.413 329 K N 1.170 121.602 120.400 0.052 0.000 2.280 329 K HA -0.118 4.203 4.320 0.002 0.000 0.202 329 K C 1.291 177.897 176.600 0.011 0.000 1.047 329 K CA 1.378 57.684 56.287 0.031 0.000 0.942 329 K CB -0.079 32.440 32.500 0.030 0.000 0.739 329 K HN 0.276 nan 8.250 nan 0.000 0.457 330 N N -0.035 118.668 118.700 0.006 0.000 2.203 330 N HA 0.012 4.753 4.740 0.002 0.000 0.207 330 N C -0.399 175.106 175.510 -0.010 0.000 1.130 330 N CA 0.764 53.807 53.050 -0.011 0.000 0.861 330 N CB 0.783 39.252 38.487 -0.030 0.000 1.005 330 N HN 0.246 nan 8.380 nan 0.000 0.507 331 R N 0.179 120.679 120.500 -0.000 0.000 3.405 331 R HA -0.120 4.220 4.340 0.002 0.000 0.258 331 R C 0.052 176.349 176.300 -0.004 0.000 1.030 331 R CA 1.158 57.258 56.100 0.000 0.000 0.691 331 R CB -2.907 27.393 30.300 0.001 0.000 1.093 331 R HN 0.453 nan 8.270 nan 0.000 0.448 332 A N -0.133 122.681 122.820 -0.009 0.000 2.486 332 A HA 0.785 5.106 4.320 0.002 0.000 0.300 332 A C 0.038 177.613 177.584 -0.016 0.000 1.048 332 A CA -0.224 51.804 52.037 -0.016 0.000 0.696 332 A CB 1.232 20.214 19.000 -0.030 0.000 1.278 332 A HN 0.917 nan 8.150 nan 0.000 0.405 333 R N 2.256 122.748 120.500 -0.013 0.000 2.210 333 R HA 0.450 4.791 4.340 0.002 0.000 0.338 333 R C -1.277 175.015 176.300 -0.014 0.000 1.062 333 R CA -0.171 55.923 56.100 -0.009 0.000 0.902 333 R CB 0.275 30.577 30.300 0.002 0.000 1.050 333 R HN 0.438 nan 8.270 nan 0.000 0.461 334 V N 4.038 123.943 119.914 -0.015 0.000 2.372 334 V HA 0.213 4.334 4.120 0.002 0.000 0.261 334 V C 0.647 176.730 176.094 -0.019 0.000 1.055 334 V CA 0.008 62.291 62.300 -0.028 0.000 0.930 334 V CB 0.540 32.349 31.823 -0.023 0.000 1.031 334 V HN 0.886 nan 8.190 nan 0.000 0.479 335 E N 4.392 124.577 120.200 -0.025 0.000 2.283 335 E HA 0.563 4.914 4.350 0.002 0.000 0.278 335 E C -0.564 176.004 176.600 -0.053 0.000 1.027 335 E CA -0.412 55.979 56.400 -0.015 0.000 0.843 335 E CB 1.680 31.378 29.700 -0.003 0.000 1.062 335 E HN 0.521 nan 8.360 nan 0.000 0.401 336 V N 3.351 123.225 119.914 -0.067 0.000 2.398 336 V HA 0.444 4.565 4.120 0.002 0.000 0.286 336 V C 0.207 176.152 176.094 -0.248 0.000 1.026 336 V CA -0.743 61.431 62.300 -0.210 0.000 0.868 336 V CB 1.454 33.090 31.823 -0.312 0.000 0.982 336 V HN 0.797 nan 8.190 nan 0.000 0.443 337 K N 4.145 124.374 120.400 -0.285 0.000 2.206 337 K HA 0.385 4.706 4.320 0.002 0.000 0.264 337 K C -1.564 174.861 176.600 -0.290 0.000 0.967 337 K CA -0.585 55.605 56.287 -0.160 0.000 0.844 337 K CB 1.034 33.515 32.500 -0.032 0.000 1.099 337 K HN 0.621 nan 8.250 nan 0.000 0.441 338 W N 4.146 125.471 121.300 0.041 0.000 2.316 338 W HA 0.301 4.962 4.660 0.001 0.000 0.308 338 W C -0.648 175.887 176.519 0.027 0.000 1.106 338 W CA -0.720 56.646 57.345 0.035 0.000 1.262 338 W CB 1.295 30.782 29.460 0.045 0.000 1.233 338 W HN 0.081 nan 8.180 nan 0.000 0.447 339 V N 4.309 124.335 119.914 0.187 0.000 2.347 339 V HA 0.001 4.122 4.120 0.002 0.000 0.280 339 V C 0.936 177.091 176.094 0.101 0.000 1.021 339 V CA -0.615 61.747 62.300 0.103 0.000 0.847 339 V CB 1.408 33.287 31.823 0.092 0.000 0.990 339 V HN 0.584 nan 8.190 nan 0.000 0.444 340 D N 4.182 124.621 120.400 0.066 0.000 2.133 340 D HA -0.245 4.395 4.640 0.002 0.000 0.195 340 D C 1.751 178.054 176.300 0.004 0.000 0.997 340 D CA 2.114 56.139 54.000 0.042 0.000 0.840 340 D CB 0.335 41.140 40.800 0.009 0.000 0.947 340 D HN 0.906 nan 8.370 nan 0.000 0.452 341 A N -0.856 121.951 122.820 -0.022 0.000 1.699 341 A HA -0.405 3.916 4.320 0.002 0.000 0.227 341 A C 1.929 179.480 177.584 -0.054 0.000 0.493 341 A CA 2.920 54.937 52.037 -0.033 0.000 1.113 341 A CB -2.168 16.825 19.000 -0.011 0.000 1.450 341 A HN 0.515 nan 8.150 nan 0.000 0.714 342 E N 0.146 120.311 120.200 -0.059 0.000 2.515 342 E HA 0.383 4.734 4.350 0.002 0.000 0.201 342 E C 0.970 177.538 176.600 -0.054 0.000 1.071 342 E CA 1.847 58.208 56.400 -0.066 0.000 0.880 342 E CB -0.461 29.196 29.700 -0.072 0.000 0.828 342 E HN 1.207 nan 8.360 nan 0.000 0.540 347 A N 0.628 123.425 122.820 -0.038 0.000 2.515 347 A HA 0.404 4.725 4.320 0.002 0.000 0.276 347 A C 0.468 178.021 177.584 -0.052 0.000 1.104 347 A CA 2.048 54.066 52.037 -0.032 0.000 0.822 347 A CB -1.582 17.413 19.000 -0.008 0.000 1.016 347 A HN 1.962 nan 8.150 nan 0.000 0.530 348 D N 2.171 122.514 120.400 -0.095 0.000 2.912 348 D HA 0.288 4.929 4.640 0.002 0.000 0.297 348 D C 0.565 176.728 176.300 -0.228 0.000 1.636 348 D CA 0.025 53.951 54.000 -0.122 0.000 0.868 348 D CB -0.887 39.841 40.800 -0.121 0.000 1.484 348 D HN 0.347 nan 8.370 nan 0.000 0.423 349 L N 0.556 121.621 121.223 -0.262 0.000 2.265 349 L HA 0.052 4.393 4.340 0.002 0.000 0.215 349 L C 1.880 178.440 176.870 -0.517 0.000 1.117 349 L CA 1.522 56.031 54.840 -0.550 0.000 0.782 349 L CB -0.191 41.585 42.059 -0.472 0.000 0.914 349 L HN 0.387 nan 8.230 nan 0.000 0.441 350 D N -0.181 120.147 120.400 -0.120 0.000 2.103 350 D HA -0.134 4.507 4.640 0.002 0.000 0.199 350 D C 2.268 178.573 176.300 0.008 0.000 0.978 350 D CA 1.532 55.575 54.000 0.072 0.000 0.829 350 D CB 0.169 41.049 40.800 0.134 0.000 0.981 350 D HN 0.493 nan 8.370 nan 0.000 0.464 351 E N 1.295 121.462 120.200 -0.056 0.000 2.046 351 E HA 0.037 4.388 4.350 0.002 0.000 0.190 351 E C 2.108 178.650 176.600 -0.097 0.000 0.982 351 E CA 1.268 57.639 56.400 -0.047 0.000 0.800 351 E CB -0.942 28.727 29.700 -0.050 0.000 0.756 351 E HN 0.263 nan 8.360 nan 0.000 0.449 352 A N -0.921 121.752 122.820 -0.244 0.000 2.084 352 A HA 0.100 4.421 4.320 0.002 0.000 0.221 352 A C 1.692 179.094 177.584 -0.302 0.000 1.161 352 A CA 1.338 53.150 52.037 -0.375 0.000 0.653 352 A CB -0.517 18.083 19.000 -0.666 0.000 0.802 352 A HN 0.549 nan 8.150 nan 0.000 0.457 353 F N -2.562 117.308 119.950 -0.134 0.000 2.735 353 F HA 0.229 4.757 4.527 0.001 0.000 0.308 353 F C 2.317 178.124 175.800 0.012 0.000 1.112 353 F CA -0.061 57.880 58.000 -0.097 0.000 1.235 353 F CB 0.255 39.124 39.000 -0.218 0.000 1.027 353 F HN 0.283 nan 8.300 nan 0.000 0.528 354 R N 0.839 121.442 120.500 0.172 0.000 2.127 354 R HA -0.208 4.133 4.340 0.002 0.000 0.228 354 R C 1.214 177.605 176.300 0.152 0.000 1.125 354 R CA 2.200 58.393 56.100 0.154 0.000 0.904 354 R CB -1.724 28.632 30.300 0.093 0.000 0.831 354 R HN 0.351 nan 8.270 nan 0.000 0.431 355 D N 0.118 120.586 120.400 0.113 0.000 2.663 355 D HA 0.211 4.852 4.640 0.002 0.000 0.243 355 D C -0.574 175.777 176.300 0.086 0.000 1.218 355 D CA -0.164 53.892 54.000 0.094 0.000 0.846 355 D CB -0.391 40.447 40.800 0.063 0.000 1.014 355 D HN 0.245 nan 8.370 nan 0.000 0.476 356 V N -0.065 119.913 119.914 0.107 0.000 2.715 356 V HA 0.351 4.472 4.120 0.002 0.000 0.310 356 V C 0.639 176.723 176.094 -0.018 0.000 1.054 356 V CA -0.685 61.635 62.300 0.034 0.000 0.928 356 V CB 2.030 33.875 31.823 0.036 0.000 1.007 356 V HN 0.132 nan 8.190 nan 0.000 0.437 357 S N 1.473 117.095 115.700 -0.129 0.000 2.701 357 S HA 0.532 5.003 4.470 0.002 0.000 0.242 357 S C 0.320 174.633 174.600 -0.479 0.000 1.025 357 S CA 0.216 58.257 58.200 -0.266 0.000 1.016 357 S CB 0.975 64.185 63.200 0.017 0.000 0.977 357 S HN 1.149 nan 8.310 nan 0.000 0.546 358 G N 1.121 109.699 108.800 -0.370 0.000 2.733 358 G HA2 0.592 4.553 3.960 0.002 0.000 0.297 358 G HA3 0.592 4.553 3.960 0.002 0.000 0.297 358 G C -1.675 173.196 174.900 -0.048 0.000 1.452 358 G CA -0.643 44.289 45.100 -0.281 0.000 0.940 358 G HN 0.206 nan 8.290 nan 0.000 0.547 359 I N 1.832 122.433 120.570 0.052 0.000 2.436 359 I HA 0.485 4.656 4.170 0.002 0.000 0.289 359 I C -0.600 175.343 176.117 -0.290 0.000 1.010 359 I CA -0.793 60.413 61.300 -0.156 0.000 1.098 359 I CB 2.113 39.916 38.000 -0.328 0.000 1.266 359 I HN 0.325 nan 8.210 nan 0.000 0.434 360 L N 7.603 128.589 121.223 -0.394 0.000 2.333 360 L HA 0.619 4.960 4.340 0.002 0.000 0.280 360 L C -1.237 175.325 176.870 -0.512 0.000 1.004 360 L CA -0.646 53.777 54.840 -0.695 0.000 0.820 360 L CB 1.764 43.385 42.059 -0.730 0.000 1.247 360 L HN 0.295 nan 8.230 nan 0.000 0.416 361 V N 7.052 126.615 119.914 -0.585 0.000 2.313 361 V HA 0.440 4.561 4.120 0.002 0.000 0.278 361 V C -1.953 173.971 176.094 -0.283 0.000 1.017 361 V CA -1.261 60.840 62.300 -0.331 0.000 0.823 361 V CB 1.131 32.829 31.823 -0.208 0.000 1.010 361 V HN 0.668 nan 8.190 nan 0.000 0.443 362 P HA 0.308 nan 4.420 nan 0.000 0.282 362 P C 0.286 177.624 177.300 0.063 0.000 1.287 362 P CA -0.110 62.966 63.100 -0.040 0.000 0.792 362 P CB 1.218 32.908 31.700 -0.017 0.000 1.163 363 G N -1.848 107.086 108.800 0.224 0.000 2.651 363 G HA2 0.527 4.488 3.960 0.002 0.000 0.260 363 G HA3 0.527 4.488 3.960 0.002 0.000 0.260 363 G C -0.064 174.831 174.900 -0.009 0.000 1.216 363 G CA -0.018 45.213 45.100 0.219 0.000 0.913 363 G HN 0.801 nan 8.290 nan 0.000 0.535 364 G N -3.303 105.492 108.800 -0.007 0.000 2.315 364 G HA2 0.760 4.721 3.960 0.002 0.000 0.294 364 G HA3 0.760 4.721 3.960 0.002 0.000 0.294 364 G C -1.116 173.893 174.900 0.181 0.000 1.300 364 G CA 0.053 45.100 45.100 -0.089 0.000 0.843 364 G HN 1.878 nan 8.290 nan 0.000 0.527 369 G N 1.985 110.693 108.800 -0.154 0.000 3.272 369 G HA2 0.265 4.226 3.960 0.002 0.000 0.220 369 G HA3 0.265 4.226 3.960 0.002 0.000 0.220 369 G C 1.009 175.782 174.900 -0.213 0.000 1.130 369 G CA 0.531 45.536 45.100 -0.159 0.000 1.657 369 G HN 0.492 nan 8.290 nan 0.000 0.557 370 I N 0.548 120.919 120.570 -0.332 0.000 2.142 370 I HA -0.105 4.066 4.170 0.002 0.000 0.240 370 I C 2.412 178.373 176.117 -0.260 0.000 1.078 370 I CA 1.067 62.098 61.300 -0.447 0.000 1.343 370 I CB -0.616 36.850 38.000 -0.890 0.000 1.046 370 I HN 0.229 nan 8.210 nan 0.000 0.405 371 E N 0.724 120.806 120.200 -0.197 0.000 2.160 371 E HA -0.169 4.182 4.350 0.002 0.000 0.195 371 E C 2.249 178.801 176.600 -0.080 0.000 0.991 371 E CA 1.275 57.606 56.400 -0.114 0.000 0.810 371 E CB -0.543 29.108 29.700 -0.082 0.000 0.742 371 E HN 0.573 nan 8.360 nan 0.000 0.466 372 G N 1.012 109.759 108.800 -0.087 0.000 2.403 372 G HA2 -0.225 3.736 3.960 0.002 0.000 0.216 372 G HA3 -0.225 3.736 3.960 0.002 0.000 0.216 372 G C 1.614 176.496 174.900 -0.030 0.000 1.154 372 G CA 0.437 45.502 45.100 -0.058 0.000 0.784 372 G HN 0.228 nan 8.290 nan 0.000 0.538 373 K N 0.062 120.430 120.400 -0.052 0.000 2.103 373 K HA 0.062 4.383 4.320 0.002 0.000 0.204 373 K C 2.539 179.152 176.600 0.022 0.000 1.052 373 K CA 0.615 56.895 56.287 -0.010 0.000 0.945 373 K CB -0.161 32.303 32.500 -0.060 0.000 0.722 373 K HN 0.171 nan 8.250 nan 0.000 0.443 374 V N 1.690 121.590 119.914 -0.022 0.000 2.324 374 V HA -0.336 3.785 4.120 0.002 0.000 0.250 374 V C 2.896 179.014 176.094 0.039 0.000 1.060 374 V CA 2.526 64.823 62.300 -0.004 0.000 1.042 374 V CB -0.980 30.822 31.823 -0.036 0.000 0.650 374 V HN 0.453 nan 8.190 nan 0.000 0.450 375 R N -0.008 120.520 120.500 0.046 0.000 2.081 375 R HA -0.012 4.329 4.340 0.002 0.000 0.235 375 R C 2.323 178.730 176.300 0.179 0.000 1.131 375 R CA 1.994 58.147 56.100 0.088 0.000 0.960 375 R CB -1.488 28.844 30.300 0.053 0.000 0.856 375 R HN 0.641 nan 8.270 nan 0.000 0.436 376 A N 0.685 123.626 122.820 0.201 0.000 1.972 376 A HA 0.245 4.566 4.320 0.002 0.000 0.219 376 A C 2.774 180.524 177.584 0.275 0.000 1.169 376 A CA 1.827 54.071 52.037 0.345 0.000 0.635 376 A CB -0.688 18.521 19.000 0.348 0.000 0.810 376 A HN 0.905 nan 8.150 nan 0.000 0.446 377 A N -1.010 121.919 122.820 0.182 0.000 1.897 377 A HA -0.138 4.183 4.320 0.002 0.000 0.215 377 A C 2.176 179.795 177.584 0.058 0.000 1.181 377 A CA 1.566 53.622 52.037 0.033 0.000 0.620 377 A CB -0.528 18.434 19.000 -0.064 0.000 0.821 377 A HN 0.629 nan 8.150 nan 0.000 0.443 378 Q N -1.647 118.208 119.800 0.091 0.000 2.030 378 Q HA -0.255 4.086 4.340 0.002 0.000 0.204 378 Q C 1.962 178.041 176.000 0.132 0.000 0.986 378 Q CA 2.178 58.023 55.803 0.070 0.000 0.843 378 Q CB -0.371 28.408 28.738 0.068 0.000 0.904 378 Q HN 0.732 nan 8.270 nan 0.000 0.420 379 Y N 0.295 120.654 120.300 0.098 0.000 2.114 379 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 379 Y C 2.093 178.067 175.900 0.123 0.000 1.165 379 Y CA 1.978 60.159 58.100 0.136 0.000 1.148 379 Y CB -0.457 38.154 38.460 0.252 0.000 0.972 379 Y HN 0.261 nan 8.280 nan 0.000 0.504 380 A N -0.004 123.022 122.820 0.344 0.000 2.015 380 A HA -0.158 4.163 4.320 0.002 0.000 0.219 380 A C 2.324 180.122 177.584 0.357 0.000 1.163 380 A CA 1.609 53.825 52.037 0.298 0.000 0.646 380 A CB -0.690 18.492 19.000 0.304 0.000 0.806 380 A HN 0.559 nan 8.150 nan 0.000 0.448 381 R N -0.250 120.367 120.500 0.195 0.000 2.080 381 R HA -0.037 4.304 4.340 0.002 0.000 0.222 381 R C 1.787 178.121 176.300 0.055 0.000 1.107 381 R CA 1.326 57.413 56.100 -0.022 0.000 0.980 381 R CB -0.169 29.875 30.300 -0.427 0.000 0.879 381 R HN 0.617 nan 8.270 nan 0.000 0.439 382 E N -0.194 120.002 120.200 -0.008 0.000 2.158 382 E HA -0.059 4.292 4.350 0.002 0.000 0.191 382 E C 1.519 178.075 176.600 -0.073 0.000 0.982 382 E CA 0.440 56.810 56.400 -0.051 0.000 0.823 382 E CB 0.230 29.879 29.700 -0.084 0.000 0.766 382 E HN 0.140 nan 8.360 nan 0.000 0.468 383 R N 0.824 121.259 120.500 -0.109 0.000 2.320 383 R HA 0.071 4.412 4.340 0.002 0.000 0.211 383 R C -0.005 176.299 176.300 0.006 0.000 0.931 383 R CA 0.049 56.077 56.100 -0.120 0.000 1.071 383 R CB 0.122 30.236 30.300 -0.310 0.000 1.025 383 R HN -0.026 nan 8.270 nan 0.000 0.495 384 K N 0.453 120.854 120.400 0.002 0.000 3.096 384 K HA -0.173 4.148 4.320 0.002 0.000 0.266 384 K C -0.281 176.289 176.600 -0.049 0.000 1.043 384 K CA 0.654 56.815 56.287 -0.210 0.000 0.758 384 K CB -2.206 30.203 32.500 -0.152 0.000 1.260 384 K HN 0.305 nan 8.250 nan 0.000 0.481 385 I N 1.235 121.869 120.570 0.107 0.000 2.359 385 I HA 0.172 4.343 4.170 0.002 0.000 0.294 385 I C -1.936 174.325 176.117 0.240 0.000 0.987 385 I CA -2.551 58.720 61.300 -0.048 0.000 1.225 385 I CB 1.344 39.274 38.000 -0.116 0.000 1.366 385 I HN -0.196 nan 8.210 nan 0.000 0.466 386 P HA -0.099 nan 4.420 nan 0.000 0.260 386 P C -1.469 176.099 177.300 0.447 0.000 1.172 386 P CA 0.572 63.890 63.100 0.363 0.000 0.760 386 P CB 0.012 31.737 31.700 0.042 0.000 0.773 387 Y N 5.162 125.627 120.300 0.275 0.000 2.361 387 Y HA 0.607 5.158 4.550 0.001 0.000 0.337 387 Y C -1.592 174.107 175.900 -0.335 0.000 0.965 387 Y CA -1.290 56.716 58.100 -0.156 0.000 1.091 387 Y CB 1.251 39.352 38.460 -0.598 0.000 1.182 387 Y HN 0.180 nan 8.280 nan 0.000 0.450 388 L N 6.027 126.623 121.223 -1.045 0.000 2.356 388 L HA 0.881 5.221 4.340 0.002 0.000 0.277 388 L C -0.656 175.494 176.870 -1.200 0.000 0.996 388 L CA -0.274 53.966 54.840 -0.999 0.000 0.822 388 L CB 1.835 43.154 42.059 -1.233 0.000 1.256 388 L HN 0.799 nan 8.230 nan 0.000 0.413 389 G N 6.181 114.485 108.800 -0.828 0.000 2.478 389 G HA2 0.626 4.587 3.960 0.002 0.000 0.317 389 G HA3 0.626 4.587 3.960 0.002 0.000 0.317 389 G C -1.192 173.482 174.900 -0.377 0.000 1.259 389 G CA -0.380 44.372 45.100 -0.580 0.000 0.933 389 G HN 0.395 nan 8.290 nan 0.000 0.478 390 I N 2.036 122.414 120.570 -0.320 0.000 2.378 390 I HA 0.317 4.488 4.170 0.002 0.000 0.291 390 I C 1.306 177.280 176.117 -0.238 0.000 0.992 390 I CA -0.399 60.748 61.300 -0.254 0.000 1.154 390 I CB 0.410 38.312 38.000 -0.164 0.000 1.315 390 I HN 0.800 nan 8.210 nan 0.000 0.448 391 C N 5.124 124.229 119.300 -0.325 0.000 5.479 391 C HA -0.342 4.119 4.460 0.002 0.000 0.305 391 C C 2.375 177.270 174.990 -0.158 0.000 2.266 391 C CA 1.857 60.682 59.018 -0.321 0.000 2.053 391 C CB -1.624 25.892 27.740 -0.373 0.000 3.233 391 C HN 0.887 nan 8.230 nan 0.000 0.475 392 L N 2.467 123.660 121.223 -0.050 0.000 2.127 392 L HA 0.173 4.514 4.340 0.002 0.000 0.211 392 L C 2.409 179.262 176.870 -0.028 0.000 1.089 392 L CA 3.260 58.106 54.840 0.010 0.000 0.757 392 L CB -1.268 40.830 42.059 0.064 0.000 0.899 392 L HN 0.832 nan 8.230 nan 0.000 0.434 393 G N -0.374 108.381 108.800 -0.074 0.000 2.450 393 G HA2 -0.309 3.652 3.960 0.002 0.000 0.220 393 G HA3 -0.309 3.652 3.960 0.002 0.000 0.220 393 G C 1.645 176.526 174.900 -0.032 0.000 1.130 393 G CA 1.101 46.148 45.100 -0.090 0.000 0.760 393 G HN 0.501 nan 8.290 nan 0.000 0.557 394 L N -0.507 120.672 121.223 -0.073 0.000 2.095 394 L HA 0.038 4.379 4.340 0.002 0.000 0.204 394 L C 2.938 179.805 176.870 -0.005 0.000 1.080 394 L CA 1.282 56.095 54.840 -0.045 0.000 0.759 394 L CB -0.268 41.733 42.059 -0.098 0.000 0.914 394 L HN 0.243 nan 8.230 nan 0.000 0.439 395 Q N 0.094 119.889 119.800 -0.009 0.000 2.084 395 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 395 Q C 2.234 178.256 176.000 0.037 0.000 0.978 395 Q CA 2.076 57.894 55.803 0.025 0.000 0.844 395 Q CB -0.211 28.558 28.738 0.052 0.000 0.898 395 Q HN 0.601 nan 8.270 nan 0.000 0.426 396 I N 0.612 121.199 120.570 0.029 0.000 2.179 396 I HA -0.277 3.894 4.170 0.002 0.000 0.242 396 I C 2.412 178.557 176.117 0.047 0.000 1.088 396 I CA 0.981 62.292 61.300 0.018 0.000 1.357 396 I CB -0.425 37.580 38.000 0.009 0.000 1.051 396 I HN 0.176 nan 8.210 nan 0.000 0.409 397 A N 0.255 123.122 122.820 0.079 0.000 1.972 397 A HA -0.133 4.188 4.320 0.002 0.000 0.219 397 A C 2.404 180.045 177.584 0.097 0.000 1.169 397 A CA 1.537 53.622 52.037 0.079 0.000 0.635 397 A CB -0.801 18.259 19.000 0.101 0.000 0.810 397 A HN 0.266 nan 8.150 nan 0.000 0.446 398 V N -0.026 119.929 119.914 0.069 0.000 2.379 398 V HA -0.217 3.904 4.120 0.002 0.000 0.245 398 V C 2.383 178.534 176.094 0.096 0.000 1.044 398 V CA 1.832 64.177 62.300 0.076 0.000 1.036 398 V CB -0.574 31.274 31.823 0.042 0.000 0.664 398 V HN 0.571 nan 8.190 nan 0.000 0.453 399 I N 0.799 121.401 120.570 0.053 0.000 2.202 399 I HA -0.231 3.940 4.170 0.002 0.000 0.242 399 I C 2.614 178.740 176.117 0.015 0.000 1.091 399 I CA 1.968 63.281 61.300 0.022 0.000 1.368 399 I CB -0.359 37.646 38.000 0.009 0.000 1.058 399 I HN 0.461 nan 8.210 nan 0.000 0.410 400 E N 1.155 121.372 120.200 0.028 0.000 2.208 400 E HA -0.253 4.098 4.350 0.002 0.000 0.193 400 E C 2.012 178.618 176.600 0.009 0.000 0.988 400 E CA 1.246 57.650 56.400 0.007 0.000 0.828 400 E CB -0.724 28.981 29.700 0.009 0.000 0.763 400 E HN 0.466 nan 8.360 nan 0.000 0.478 401 F N 1.184 121.081 119.950 -0.087 0.000 2.128 401 F HA 0.123 4.651 4.527 0.001 0.000 0.295 401 F C 2.259 178.003 175.800 -0.093 0.000 1.100 401 F CA 1.540 59.475 58.000 -0.108 0.000 1.260 401 F CB -0.678 38.260 39.000 -0.104 0.000 1.009 401 F HN 0.133 nan 8.300 nan 0.000 0.476 402 A N 0.690 123.525 122.820 0.026 0.000 1.940 402 A HA -0.195 4.125 4.320 0.002 0.000 0.219 402 A C 2.320 179.786 177.584 -0.197 0.000 1.176 402 A CA 1.872 53.858 52.037 -0.085 0.000 0.631 402 A CB -0.651 18.319 19.000 -0.049 0.000 0.814 402 A HN 0.481 nan 8.150 nan 0.000 0.446 403 R N -0.640 119.763 120.500 -0.162 0.000 2.051 403 R HA -0.026 4.315 4.340 0.002 0.000 0.225 403 R C 1.675 177.865 176.300 -0.184 0.000 1.155 403 R CA 1.630 57.635 56.100 -0.158 0.000 0.945 403 R CB -0.436 29.803 30.300 -0.103 0.000 0.840 403 R HN 0.661 nan 8.270 nan 0.000 0.432 404 N N -0.251 118.334 118.700 -0.192 0.000 2.467 404 N HA -0.027 4.714 4.740 0.002 0.000 0.184 404 N C 0.862 176.203 175.510 -0.281 0.000 1.106 404 N CA 0.141 53.075 53.050 -0.194 0.000 0.892 404 N CB 0.675 39.078 38.487 -0.140 0.000 0.969 404 N HN -0.002 nan 8.380 nan 0.000 0.454 405 V N -0.819 118.818 119.914 -0.461 0.000 3.350 405 V HA 0.257 4.378 4.120 0.002 0.000 0.246 405 V C 1.455 177.244 176.094 -0.509 0.000 1.363 405 V CA 0.540 62.486 62.300 -0.591 0.000 1.162 405 V CB 0.574 31.706 31.823 -1.153 0.000 0.947 405 V HN 0.168 nan 8.190 nan 0.000 0.454 406 A N 0.022 122.546 122.820 -0.493 0.000 2.308 406 A HA 0.499 4.820 4.320 0.002 0.000 0.217 406 A C 1.873 179.338 177.584 -0.199 0.000 1.216 406 A CA 0.834 52.702 52.037 -0.281 0.000 0.864 406 A CB -0.268 18.613 19.000 -0.199 0.000 0.902 406 A HN 1.254 nan 8.150 nan 0.000 0.499 407 G N -0.823 107.849 108.800 -0.213 0.000 2.187 407 G HA2 -0.213 3.748 3.960 0.002 0.000 0.261 407 G HA3 -0.213 3.748 3.960 0.002 0.000 0.261 407 G C -0.097 174.685 174.900 -0.197 0.000 1.000 407 G CA 0.420 45.420 45.100 -0.167 0.000 0.718 407 G HN 0.378 nan 8.290 nan 0.000 0.519 408 L N 1.636 122.697 121.223 -0.272 0.000 2.401 408 L HA 0.299 4.640 4.340 0.002 0.000 0.283 408 L C 0.861 177.528 176.870 -0.338 0.000 1.151 408 L CA -0.432 54.117 54.840 -0.485 0.000 0.942 408 L CB 0.419 42.143 42.059 -0.558 0.000 1.283 408 L HN 0.060 nan 8.230 nan 0.000 0.442 409 K N 2.510 122.779 120.400 -0.217 0.000 2.491 409 K HA 0.148 4.469 4.320 0.002 0.000 0.279 409 K C 1.296 177.889 176.600 -0.012 0.000 1.026 409 K CA 0.635 56.877 56.287 -0.076 0.000 1.070 409 K CB -0.118 32.375 32.500 -0.012 0.000 0.887 409 K HN 0.777 nan 8.250 nan 0.000 0.481 410 G N 1.333 110.126 108.800 -0.012 0.000 2.203 410 G HA2 -0.325 3.636 3.960 0.002 0.000 0.263 410 G HA3 -0.325 3.636 3.960 0.002 0.000 0.263 410 G C 0.420 175.336 174.900 0.026 0.000 1.012 410 G CA 0.464 45.575 45.100 0.019 0.000 0.749 410 G HN 0.937 nan 8.290 nan 0.000 0.512 411 A N -0.802 122.003 122.820 -0.025 0.000 2.520 411 A HA 0.605 4.926 4.320 0.002 0.000 0.235 411 A C 0.575 178.150 177.584 -0.015 0.000 1.065 411 A CA 1.309 53.323 52.037 -0.038 0.000 0.764 411 A CB 0.259 19.184 19.000 -0.124 0.000 1.002 411 A HN 1.135 nan 8.150 nan 0.000 0.502 412 N N -1.459 117.236 118.700 -0.008 0.000 3.373 412 N HA 0.362 5.103 4.740 0.002 0.000 0.275 412 N C -1.269 174.263 175.510 0.038 0.000 1.489 412 N CA -0.151 52.919 53.050 0.033 0.000 0.872 412 N CB 1.153 39.676 38.487 0.060 0.000 1.555 412 N HN 0.745 nan 8.380 nan 0.000 0.500 413 S N -0.721 115.036 115.700 0.094 0.000 2.525 413 S HA 0.249 4.720 4.470 0.002 0.000 0.290 413 S C 1.013 175.559 174.600 -0.090 0.000 1.152 413 S CA -0.104 58.098 58.200 0.003 0.000 1.072 413 S CB 1.004 64.182 63.200 -0.037 0.000 1.027 413 S HN 0.571 nan 8.310 nan 0.000 0.500 414 T N 0.861 115.363 114.554 -0.088 0.000 3.155 414 T HA 0.017 4.368 4.350 0.002 0.000 0.264 414 T C 1.166 175.731 174.700 -0.226 0.000 1.160 414 T CA 1.022 63.070 62.100 -0.086 0.000 1.075 414 T CB -0.269 68.615 68.868 0.026 0.000 0.921 414 T HN 0.766 nan 8.240 nan 0.000 0.533 415 E N -0.060 119.772 120.200 -0.613 0.000 2.112 415 E HA 0.006 4.357 4.350 0.002 0.000 0.190 415 E C 1.055 177.129 176.600 -0.875 0.000 0.979 415 E CA 0.808 56.600 56.400 -1.013 0.000 0.814 415 E CB -0.026 28.485 29.700 -1.981 0.000 0.762 415 E HN 0.740 nan 8.360 nan 0.000 0.460 416 F N -0.211 119.629 119.950 -0.183 0.000 2.437 416 F HA 0.164 4.693 4.527 0.002 0.000 0.288 416 F C 0.823 176.578 175.800 -0.075 0.000 1.085 416 F CA -0.191 57.744 58.000 -0.109 0.000 1.430 416 F CB 0.657 39.595 39.000 -0.103 0.000 1.120 416 F HN -0.135 nan 8.300 nan 0.000 0.556 417 D N 0.949 121.375 120.400 0.044 0.000 2.363 417 D HA 0.205 4.846 4.640 0.002 0.000 0.258 417 D C -2.090 174.164 176.300 -0.077 0.000 1.259 417 D CA -2.511 51.496 54.000 0.013 0.000 0.921 417 D CB 1.175 42.013 40.800 0.063 0.000 1.201 417 D HN -0.116 nan 8.370 nan 0.000 0.524 418 P HA -0.096 nan 4.420 nan 0.000 0.228 418 P C 0.351 177.407 177.300 -0.407 0.000 1.151 418 P CA 0.726 63.628 63.100 -0.330 0.000 0.770 418 P CB 0.238 31.671 31.700 -0.444 0.000 0.786 419 H N -1.677 117.409 119.070 0.026 0.000 2.592 419 H HA 0.148 4.705 4.556 0.001 0.000 0.279 419 H C 0.643 175.985 175.328 0.023 0.000 1.089 419 H CA -0.073 55.989 56.048 0.023 0.000 1.150 419 H CB -0.175 29.599 29.762 0.021 0.000 1.575 419 H HN 0.062 nan 8.280 nan 0.000 0.547 420 T N 3.554 118.158 114.554 0.084 0.000 2.937 420 T HA 0.009 4.360 4.350 0.002 0.000 0.316 420 T C -0.940 173.793 174.700 0.054 0.000 1.079 420 T CA -1.013 61.131 62.100 0.072 0.000 1.131 420 T CB 1.162 70.061 68.868 0.052 0.000 1.000 420 T HN 0.166 nan 8.240 nan 0.000 0.549 421 P HA 0.043 nan 4.420 nan 0.000 0.233 421 P C -0.393 176.737 177.300 -0.282 0.000 1.167 421 P CA 0.805 63.867 63.100 -0.064 0.000 0.770 421 P CB 0.058 31.758 31.700 -0.001 0.000 0.837 422 H N 0.715 119.787 119.070 0.003 0.000 2.761 422 H HA 0.246 4.803 4.556 0.002 0.000 0.263 422 H C -2.388 172.797 175.328 -0.238 0.000 1.292 422 H CA -1.730 54.246 56.048 -0.120 0.000 1.540 422 H CB 1.005 30.636 29.762 -0.219 0.000 1.569 422 H HN 0.043 nan 8.280 nan 0.000 0.510 423 P HA -0.036 nan 4.420 nan 0.000 0.237 423 P C 1.144 178.392 177.300 -0.087 0.000 1.788 423 P CA -0.100 62.991 63.100 -0.016 0.000 1.061 423 P CB 0.144 31.890 31.700 0.077 0.000 1.967 424 V N -0.200 119.541 119.914 -0.288 0.000 2.867 424 V HA -0.028 4.093 4.120 0.002 0.000 0.260 424 V C 1.014 177.110 176.094 0.004 0.000 1.099 424 V CA 1.138 63.281 62.300 -0.261 0.000 1.122 424 V CB -1.006 30.665 31.823 -0.253 0.000 0.708 424 V HN 0.186 nan 8.190 nan 0.000 0.490 425 I N 0.524 121.112 120.570 0.031 0.000 2.534 425 I HA 0.676 4.847 4.170 0.002 0.000 0.288 425 I C -0.872 175.328 176.117 0.139 0.000 1.077 425 I CA -0.251 61.104 61.300 0.093 0.000 1.051 425 I CB 1.997 40.044 38.000 0.077 0.000 1.234 425 I HN 0.105 nan 8.210 nan 0.000 0.425 426 D N 4.418 124.946 120.400 0.213 0.000 2.759 426 D HA 0.522 5.163 4.640 0.002 0.000 0.321 426 D C -0.848 175.579 176.300 0.213 0.000 1.267 426 D CA -0.415 53.745 54.000 0.266 0.000 0.933 426 D CB 1.655 42.543 40.800 0.147 0.000 1.431 426 D HN 0.207 nan 8.370 nan 0.000 0.504 427 L N 0.592 121.822 121.223 0.012 0.000 2.474 427 L HA 0.246 4.587 4.340 0.002 0.000 0.259 427 L C 0.984 177.787 176.870 -0.111 0.000 1.232 427 L CA -0.597 54.093 54.840 -0.251 0.000 0.821 427 L CB 0.066 41.956 42.059 -0.281 0.000 1.108 427 L HN 0.525 nan 8.230 nan 0.000 0.495 428 M N 2.813 122.327 119.600 -0.144 0.000 2.504 428 M HA 0.033 4.514 4.480 0.002 0.000 0.378 428 M C -2.159 174.113 176.300 -0.045 0.000 1.706 428 M CA -0.557 54.690 55.300 -0.087 0.000 1.036 428 M CB -0.363 32.175 32.600 -0.103 0.000 2.129 428 M HN 0.116 nan 8.290 nan 0.000 0.474 429 P HA 0.070 nan 4.420 nan 0.000 0.263 429 P C 0.388 177.686 177.300 -0.005 0.000 1.175 429 P CA 0.789 63.889 63.100 0.000 0.000 0.761 429 P CB 0.371 32.078 31.700 0.013 0.000 0.794 430 E N 1.879 122.078 120.200 -0.002 0.000 2.204 430 E HA -0.205 4.146 4.350 0.002 0.000 0.195 430 E C 2.200 178.802 176.600 0.003 0.000 0.990 430 E CA 2.039 58.438 56.400 -0.002 0.000 0.821 430 E CB -1.553 28.147 29.700 -0.000 0.000 0.750 430 E HN 0.633 nan 8.360 nan 0.000 0.477 431 Q N -0.046 119.757 119.800 0.006 0.000 2.224 431 Q HA 0.256 4.597 4.340 0.002 0.000 0.203 431 Q C 2.221 178.228 176.000 0.012 0.000 0.970 431 Q CA 1.370 57.178 55.803 0.008 0.000 0.865 431 Q CB -0.509 28.234 28.738 0.008 0.000 0.922 431 Q HN 0.700 nan 8.270 nan 0.000 0.445 432 L N 0.120 121.351 121.223 0.014 0.000 2.667 432 L HA 0.328 4.669 4.340 0.002 0.000 0.232 432 L C 0.583 177.469 176.870 0.026 0.000 1.138 432 L CA -0.324 54.529 54.840 0.023 0.000 0.921 432 L CB 0.528 42.603 42.059 0.026 0.000 1.180 432 L HN 0.242 nan 8.230 nan 0.000 0.487 433 E N 0.881 121.089 120.200 0.014 0.000 2.319 433 E HA 0.397 4.747 4.350 0.002 0.000 0.268 433 E C -0.789 175.822 176.600 0.019 0.000 1.050 433 E CA -0.255 56.153 56.400 0.013 0.000 0.878 433 E CB 1.543 31.242 29.700 -0.002 0.000 1.066 433 E HN -0.142 nan 8.360 nan 0.000 0.406 434 V N 1.875 121.803 119.914 0.023 0.000 2.667 434 V HA 0.513 4.634 4.120 0.002 0.000 0.308 434 V C 0.159 176.260 176.094 0.013 0.000 1.048 434 V CA -0.398 61.914 62.300 0.020 0.000 0.928 434 V CB 1.140 32.980 31.823 0.027 0.000 1.004 434 V HN 0.877 nan 8.190 nan 0.000 0.444 435 E N 1.636 121.841 120.200 0.009 0.000 2.529 435 E HA 0.360 4.711 4.350 0.002 0.000 0.259 435 E C 1.467 178.072 176.600 0.007 0.000 0.966 435 E CA 0.624 57.028 56.400 0.007 0.000 0.937 435 E CB -0.403 29.300 29.700 0.005 0.000 0.923 435 E HN 2.192 nan 8.360 nan 0.000 0.468 436 G N 1.251 110.054 108.800 0.005 0.000 2.184 436 G HA2 -0.289 3.672 3.960 0.002 0.000 0.264 436 G HA3 -0.289 3.672 3.960 0.002 0.000 0.264 436 G C 0.969 175.874 174.900 0.007 0.000 0.975 436 G CA 0.649 45.752 45.100 0.006 0.000 0.642 436 G HN 0.951 nan 8.290 nan 0.000 0.536 437 L N 0.914 122.143 121.223 0.009 0.000 2.693 437 L HA 0.375 4.716 4.340 0.002 0.000 0.235 437 L C 1.780 178.648 176.870 -0.003 0.000 1.127 437 L CA 0.055 54.902 54.840 0.011 0.000 0.914 437 L CB 0.197 42.271 42.059 0.026 0.000 1.193 437 L HN 0.294 nan 8.230 nan 0.000 0.502 438 G N -0.365 108.430 108.800 -0.009 0.000 2.380 438 G HA2 0.329 4.290 3.960 0.002 0.000 0.242 438 G HA3 0.329 4.290 3.960 0.002 0.000 0.242 438 G C 1.120 176.001 174.900 -0.031 0.000 1.298 438 G CA 0.516 45.602 45.100 -0.023 0.000 0.878 438 G HN 0.392 nan 8.290 nan 0.000 0.542 439 G N 1.037 109.803 108.800 -0.055 0.000 2.162 439 G HA2 -0.236 3.725 3.960 0.002 0.000 0.260 439 G HA3 -0.236 3.725 3.960 0.002 0.000 0.260 439 G C 0.460 175.326 174.900 -0.056 0.000 0.976 439 G CA 0.721 45.783 45.100 -0.063 0.000 0.655 439 G HN 1.176 nan 8.290 nan 0.000 0.533 440 T N 2.403 116.927 114.554 -0.050 0.000 2.758 440 T HA 0.617 4.968 4.350 0.002 0.000 0.285 440 T C 0.970 175.632 174.700 -0.064 0.000 0.981 440 T CA -0.078 62.002 62.100 -0.035 0.000 0.965 440 T CB 1.301 70.167 68.868 -0.005 0.000 0.927 440 T HN 0.584 nan 8.240 nan 0.000 0.448 441 M N 1.858 121.415 119.600 -0.072 0.000 2.113 441 M HA 0.447 4.928 4.480 0.002 0.000 0.288 441 M C 0.026 176.242 176.300 -0.140 0.000 1.225 441 M CA -0.286 54.931 55.300 -0.138 0.000 1.148 441 M CB 0.403 32.943 32.600 -0.101 0.000 1.388 441 M HN 0.284 nan 8.290 nan 0.000 0.469 442 R N 0.974 121.279 120.500 -0.326 0.000 2.265 442 R HA 0.656 4.996 4.340 0.002 0.000 0.314 442 R C -1.064 175.197 176.300 -0.064 0.000 1.053 442 R CA -0.212 55.699 56.100 -0.315 0.000 0.931 442 R CB 0.623 30.303 30.300 -1.032 0.000 1.024 442 R HN 0.587 nan 8.270 nan 0.000 0.457 443 L N 1.454 122.818 121.223 0.235 0.000 2.350 443 L HA 0.624 4.965 4.340 0.002 0.000 0.260 443 L C 0.625 177.716 176.870 0.367 0.000 1.015 443 L CA -0.566 54.424 54.840 0.249 0.000 0.821 443 L CB 2.190 44.336 42.059 0.144 0.000 1.370 443 L HN 0.875 nan 8.230 nan 0.000 0.416 444 G N 0.954 109.919 108.800 0.275 0.000 2.697 444 G HA2 -0.206 3.755 3.960 0.002 0.000 0.240 444 G HA3 -0.206 3.755 3.960 0.002 0.000 0.240 444 G C -0.764 174.363 174.900 0.379 0.000 1.346 444 G CA -0.656 44.585 45.100 0.235 0.000 0.887 444 G HN 0.608 nan 8.290 nan 0.000 0.569 445 D N -0.132 120.407 120.400 0.232 0.000 2.458 445 D HA 0.383 5.023 4.640 0.002 0.000 0.243 445 D C -0.291 176.123 176.300 0.189 0.000 1.146 445 D CA 0.936 55.082 54.000 0.244 0.000 0.877 445 D CB 0.425 41.297 40.800 0.120 0.000 1.176 445 D HN 0.399 nan 8.370 nan 0.000 0.461 446 W N 3.117 124.513 121.300 0.161 0.000 2.839 446 W HA 0.278 4.938 4.660 0.000 0.000 0.334 446 W C -2.007 174.566 176.519 0.090 0.000 1.064 446 W CA -1.873 55.505 57.345 0.055 0.000 1.236 446 W CB 1.536 30.903 29.460 -0.156 0.000 1.405 446 W HN 0.170 nan 8.180 nan 0.000 0.478 447 P HA 0.130 nan 4.420 nan 0.000 0.271 447 P C -0.811 176.585 177.300 0.161 0.000 1.216 447 P CA 0.026 63.203 63.100 0.128 0.000 0.771 447 P CB 1.186 32.914 31.700 0.048 0.000 0.864 448 M N 2.863 122.529 119.600 0.110 0.000 2.190 448 M HA 0.497 4.978 4.480 0.002 0.000 0.312 448 M C -0.163 176.145 176.300 0.013 0.000 0.990 448 M CA -0.571 54.771 55.300 0.071 0.000 0.927 448 M CB 1.573 34.200 32.600 0.045 0.000 1.571 448 M HN 0.258 nan 8.290 nan 0.000 0.427 449 R N 5.575 126.086 120.500 0.018 0.000 2.204 449 R HA 0.608 4.949 4.340 0.002 0.000 0.341 449 R C -0.901 175.393 176.300 -0.010 0.000 1.035 449 R CA -0.256 55.847 56.100 0.006 0.000 0.887 449 R CB -0.473 29.836 30.300 0.016 0.000 1.114 449 R HN 0.850 nan 8.270 nan 0.000 0.473 450 I N 1.781 122.341 120.570 -0.017 0.000 2.519 450 I HA 0.368 4.539 4.170 0.002 0.000 0.287 450 I C 1.159 177.283 176.117 0.011 0.000 1.047 450 I CA -0.458 60.840 61.300 -0.004 0.000 1.381 450 I CB 1.518 39.526 38.000 0.013 0.000 1.417 450 I HN 0.729 nan 8.210 nan 0.000 0.540 451 K N 7.114 127.513 120.400 -0.002 0.000 2.248 451 K HA 0.481 4.802 4.320 0.002 0.000 0.281 451 K C -2.722 173.810 176.600 -0.112 0.000 1.054 451 K CA -1.774 54.485 56.287 -0.047 0.000 0.903 451 K CB 0.001 32.482 32.500 -0.033 0.000 1.077 451 K HN 0.310 nan 8.250 nan 0.000 0.474 452 P HA 0.103 nan 4.420 nan 0.000 0.266 452 P C 1.156 178.311 177.300 -0.242 0.000 1.193 452 P CA 1.825 64.569 63.100 -0.594 0.000 0.770 452 P CB 0.910 32.352 31.700 -0.430 0.000 0.836 453 G N 0.709 109.429 108.800 -0.135 0.000 2.245 453 G HA2 -0.256 3.705 3.960 0.002 0.000 0.264 453 G HA3 -0.256 3.705 3.960 0.002 0.000 0.264 453 G C 0.505 175.443 174.900 0.064 0.000 0.985 453 G CA 0.667 45.778 45.100 0.020 0.000 0.625 453 G HN 0.832 nan 8.290 nan 0.000 0.536 454 T N -1.601 112.999 114.554 0.076 0.000 2.788 454 T HA 0.599 4.950 4.350 0.002 0.000 0.280 454 T C 1.601 176.364 174.700 0.105 0.000 0.984 454 T CA 0.226 62.368 62.100 0.070 0.000 0.972 454 T CB 1.416 70.312 68.868 0.048 0.000 1.039 454 T HN 0.901 nan 8.240 nan 0.000 0.530 455 L N 0.478 121.734 121.223 0.056 0.000 2.056 455 L HA 0.147 4.488 4.340 0.002 0.000 0.207 455 L C 2.389 179.315 176.870 0.093 0.000 1.078 455 L CA 1.316 56.188 54.840 0.053 0.000 0.749 455 L CB -1.147 40.880 42.059 -0.053 0.000 0.901 455 L HN 0.799 nan 8.230 nan 0.000 0.433 456 L N -0.629 120.642 121.223 0.079 0.000 1.971 456 L HA -0.347 3.994 4.340 0.002 0.000 0.215 456 L C 2.705 179.697 176.870 0.202 0.000 1.072 456 L CA 2.232 57.154 54.840 0.137 0.000 0.758 456 L CB -0.626 41.473 42.059 0.067 0.000 0.889 456 L HN 0.539 nan 8.230 nan 0.000 0.433 457 H N -0.130 118.990 119.070 0.084 0.000 2.390 457 H HA -0.246 4.311 4.556 0.002 0.000 0.298 457 H C 2.348 177.747 175.328 0.119 0.000 1.106 457 H CA 2.175 58.277 56.048 0.089 0.000 1.297 457 H CB -0.066 29.724 29.762 0.047 0.000 1.375 457 H HN 0.199 nan 8.280 nan 0.000 0.509 458 R N 0.044 120.578 120.500 0.056 0.000 2.115 458 R HA -0.062 4.279 4.340 0.002 0.000 0.226 458 R C 1.970 178.286 176.300 0.027 0.000 1.100 458 R CA 1.289 57.399 56.100 0.017 0.000 0.980 458 R CB -0.106 30.251 30.300 0.095 0.000 0.875 458 R HN 0.418 nan 8.270 nan 0.000 0.445 459 L N -0.494 120.792 121.223 0.104 0.000 2.023 459 L HA -0.122 4.219 4.340 0.002 0.000 0.205 459 L C 2.236 179.131 176.870 0.041 0.000 1.073 459 L CA 1.216 56.117 54.840 0.102 0.000 0.745 459 L CB -0.675 41.489 42.059 0.176 0.000 0.900 459 L HN 0.135 nan 8.230 nan 0.000 0.435 460 Y N 0.201 120.493 120.300 -0.014 0.000 2.130 460 Y HA -0.026 4.525 4.550 0.002 0.000 0.287 460 Y C 2.018 177.876 175.900 -0.071 0.000 1.124 460 Y CA 1.296 59.386 58.100 -0.017 0.000 1.118 460 Y CB -0.570 37.895 38.460 0.008 0.000 0.994 460 Y HN 0.311 nan 8.280 nan 0.000 0.497 461 G N -1.270 107.522 108.800 -0.012 0.000 2.144 461 G HA2 -0.061 3.900 3.960 0.002 0.000 0.218 461 G HA3 -0.061 3.900 3.960 0.002 0.000 0.218 461 G C 0.116 174.983 174.900 -0.056 0.000 0.988 461 G CA 0.364 45.382 45.100 -0.137 0.000 0.659 461 G HN 0.578 nan 8.290 nan 0.000 0.522 462 K N -0.358 120.061 120.400 0.033 0.000 2.439 462 K HA 0.861 5.182 4.320 0.002 0.000 0.260 462 K C 0.760 177.453 176.600 0.155 0.000 1.032 462 K CA 0.179 56.528 56.287 0.103 0.000 0.882 462 K CB 0.604 33.170 32.500 0.111 0.000 1.420 462 K HN 0.064 nan 8.250 nan 0.000 0.455 463 E N -0.395 119.883 120.200 0.130 0.000 2.372 463 E HA 0.178 4.529 4.350 0.002 0.000 0.201 463 E C 0.206 176.832 176.600 0.044 0.000 0.938 463 E CA 0.970 57.434 56.400 0.106 0.000 0.944 463 E CB 0.925 30.674 29.700 0.081 0.000 0.937 463 E HN 0.810 nan 8.360 nan 0.000 0.495 464 E N 1.169 121.393 120.200 0.039 0.000 2.241 464 E HA 0.598 4.949 4.350 0.002 0.000 0.263 464 E C -0.391 176.227 176.600 0.031 0.000 0.882 464 E CA -0.642 55.773 56.400 0.025 0.000 0.769 464 E CB 1.610 31.328 29.700 0.030 0.000 1.185 464 E HN 0.083 nan 8.360 nan 0.000 0.415 465 V N -1.113 118.809 119.914 0.013 0.000 3.181 465 V HA 0.862 4.983 4.120 0.002 0.000 0.308 465 V C -0.750 175.389 176.094 0.074 0.000 1.214 465 V CA -1.062 61.267 62.300 0.049 0.000 1.053 465 V CB 1.648 33.494 31.823 0.039 0.000 1.069 465 V HN 0.753 nan 8.190 nan 0.000 0.441 466 L N 1.564 122.859 121.223 0.119 0.000 2.346 466 L HA 0.794 5.135 4.340 0.002 0.000 0.276 466 L C -0.453 176.533 176.870 0.195 0.000 1.006 466 L CA -0.346 54.585 54.840 0.152 0.000 0.817 466 L CB 1.891 44.026 42.059 0.126 0.000 1.272 466 L HN 0.711 nan 8.230 nan 0.000 0.421 467 E N 2.602 122.947 120.200 0.242 0.000 2.340 467 E HA 0.450 4.801 4.350 0.002 0.000 0.273 467 E C -1.124 175.641 176.600 0.275 0.000 0.891 467 E CA -0.856 55.676 56.400 0.221 0.000 0.757 467 E CB 2.723 32.513 29.700 0.149 0.000 1.231 467 E HN 0.438 nan 8.360 nan 0.000 0.439 468 R N 1.300 121.937 120.500 0.229 0.000 2.410 468 R HA 0.458 4.799 4.340 0.002 0.000 0.288 468 R C -0.344 176.088 176.300 0.219 0.000 1.051 468 R CA -0.409 55.877 56.100 0.310 0.000 1.021 468 R CB 0.587 31.054 30.300 0.278 0.000 1.032 468 R HN 0.409 nan 8.270 nan 0.000 0.481 469 H N 0.398 119.658 119.070 0.316 0.000 2.771 469 H HA 0.500 5.057 4.556 0.002 0.000 0.367 469 H C -0.453 175.046 175.328 0.286 0.000 1.172 469 H CA -0.914 55.306 56.048 0.286 0.000 1.186 469 H CB 1.744 31.551 29.762 0.073 0.000 1.790 469 H HN 0.360 nan 8.280 nan 0.000 0.556 470 R N 2.452 123.230 120.500 0.463 0.000 3.124 470 R HA 0.138 4.479 4.340 0.002 0.000 0.212 470 R C -1.963 174.553 176.300 0.360 0.000 1.677 470 R CA -0.456 55.844 56.100 0.334 0.000 1.186 470 R CB -0.117 30.417 30.300 0.389 0.000 1.571 470 R HN 1.032 nan 8.270 nan 0.000 0.583 471 H N 0.758 119.918 119.070 0.151 0.000 3.060 471 H HA 0.244 4.801 4.556 0.002 0.000 0.330 471 H C -1.065 174.284 175.328 0.034 0.000 1.305 471 H CA -0.969 55.158 56.048 0.131 0.000 1.209 471 H CB 1.084 30.926 29.762 0.133 0.000 1.913 471 H HN 0.488 nan 8.280 nan 0.000 0.534 472 R N 0.513 121.041 120.500 0.047 0.000 2.508 472 R HA 0.261 4.602 4.340 0.002 0.000 0.300 472 R C -1.103 174.994 176.300 -0.338 0.000 0.970 472 R CA -0.306 55.673 56.100 -0.201 0.000 1.102 472 R CB 0.200 30.345 30.300 -0.258 0.000 1.246 472 R HN 0.244 nan 8.270 nan 0.000 0.539 473 Y N 1.190 121.583 120.300 0.156 0.000 2.393 473 Y HA 0.437 4.989 4.550 0.002 0.000 0.341 473 Y C 0.116 176.107 175.900 0.152 0.000 0.988 473 Y CA -0.882 57.281 58.100 0.105 0.000 1.078 473 Y CB 1.717 40.205 38.460 0.046 0.000 1.203 473 Y HN -0.017 nan 8.280 nan 0.000 0.453 474 E N 1.154 121.470 120.200 0.192 0.000 2.359 474 E HA 0.410 4.761 4.350 0.002 0.000 0.266 474 E C -1.139 175.526 176.600 0.109 0.000 0.920 474 E CA -1.112 55.362 56.400 0.123 0.000 0.788 474 E CB 2.570 32.306 29.700 0.059 0.000 1.279 474 E HN 0.275 nan 8.360 nan 0.000 0.438 475 V N 2.390 122.349 119.914 0.076 0.000 2.585 475 V HA -0.027 4.094 4.120 0.002 0.000 0.296 475 V C 0.745 176.901 176.094 0.104 0.000 1.035 475 V CA -0.280 62.069 62.300 0.082 0.000 1.084 475 V CB 0.217 32.076 31.823 0.059 0.000 0.953 475 V HN 0.493 nan 8.190 nan 0.000 0.483 476 N N 6.795 125.583 118.700 0.147 0.000 2.452 476 N HA 0.080 4.821 4.740 0.002 0.000 0.266 476 N C -1.559 174.051 175.510 0.166 0.000 1.209 476 N CA -1.398 51.763 53.050 0.186 0.000 0.929 476 N CB 1.598 40.284 38.487 0.331 0.000 1.063 476 N HN 0.315 nan 8.380 nan 0.000 0.472 477 P HA -0.144 nan 4.420 nan 0.000 0.215 477 P C 1.434 178.763 177.300 0.049 0.000 1.157 477 P CA 1.226 64.365 63.100 0.064 0.000 0.874 477 P CB 0.195 31.918 31.700 0.038 0.000 0.790 478 L N -3.203 118.029 121.223 0.015 0.000 2.263 478 L HA -0.199 4.142 4.340 0.002 0.000 0.216 478 L C 1.876 178.624 176.870 -0.203 0.000 1.111 478 L CA 1.491 56.265 54.840 -0.110 0.000 0.773 478 L CB -0.877 41.066 42.059 -0.194 0.000 0.906 478 L HN 0.064 nan 8.230 nan 0.000 0.439 479 Y N -1.888 118.445 120.300 0.055 0.000 2.462 479 Y HA 0.047 4.597 4.550 0.001 0.000 0.261 479 Y C 2.119 178.056 175.900 0.061 0.000 1.146 479 Y CA -0.108 58.033 58.100 0.068 0.000 1.283 479 Y CB -0.012 38.499 38.460 0.086 0.000 1.090 479 Y HN -0.145 nan 8.280 nan 0.000 0.526 480 V N 0.464 120.469 119.914 0.151 0.000 2.233 480 V HA -0.342 3.779 4.120 0.002 0.000 0.247 480 V C 2.324 178.466 176.094 0.080 0.000 1.050 480 V CA 2.534 64.896 62.300 0.102 0.000 1.010 480 V CB -1.388 30.473 31.823 0.063 0.000 0.637 480 V HN 0.575 nan 8.190 nan 0.000 0.444 481 D N 0.143 120.574 120.400 0.052 0.000 2.126 481 D HA -0.213 4.428 4.640 0.002 0.000 0.190 481 D C 2.230 178.565 176.300 0.059 0.000 1.001 481 D CA 2.074 56.098 54.000 0.039 0.000 0.841 481 D CB -1.158 39.652 40.800 0.016 0.000 0.949 481 D HN 0.571 nan 8.370 nan 0.000 0.446 482 G N -0.042 108.804 108.800 0.077 0.000 2.421 482 G HA2 -0.060 3.901 3.960 0.002 0.000 0.216 482 G HA3 -0.060 3.901 3.960 0.002 0.000 0.216 482 G C 1.887 176.867 174.900 0.134 0.000 1.171 482 G CA 0.987 46.146 45.100 0.099 0.000 0.775 482 G HN 0.539 nan 8.290 nan 0.000 0.543 483 L N 0.157 121.488 121.223 0.180 0.000 2.083 483 L HA -0.063 4.278 4.340 0.002 0.000 0.209 483 L C 2.853 179.856 176.870 0.221 0.000 1.083 483 L CA 1.194 56.192 54.840 0.263 0.000 0.752 483 L CB -0.410 41.796 42.059 0.246 0.000 0.899 483 L HN 0.297 nan 8.230 nan 0.000 0.433 484 E N -0.028 120.238 120.200 0.110 0.000 2.106 484 E HA -0.187 4.164 4.350 0.002 0.000 0.192 484 E C 2.331 178.976 176.600 0.075 0.000 0.984 484 E CA 0.808 57.244 56.400 0.060 0.000 0.806 484 E CB -0.004 29.715 29.700 0.031 0.000 0.750 484 E HN 0.457 nan 8.360 nan 0.000 0.458 485 R N 0.388 120.936 120.500 0.080 0.000 2.115 485 R HA -0.005 4.336 4.340 0.002 0.000 0.230 485 R C 2.107 178.454 176.300 0.078 0.000 1.111 485 R CA 0.954 57.091 56.100 0.062 0.000 0.976 485 R CB -0.124 30.204 30.300 0.046 0.000 0.870 485 R HN 0.041 nan 8.270 nan 0.000 0.445 486 A N 0.103 122.999 122.820 0.126 0.000 2.235 486 A HA 0.184 4.504 4.320 0.002 0.000 0.208 486 A C 1.392 179.129 177.584 0.255 0.000 1.172 486 A CA 0.975 53.084 52.037 0.120 0.000 0.786 486 A CB -0.059 18.963 19.000 0.037 0.000 0.804 486 A HN 0.484 nan 8.150 nan 0.000 0.479 487 G N -1.904 107.038 108.800 0.236 0.000 2.192 487 G HA2 -0.143 3.818 3.960 0.002 0.000 0.193 487 G HA3 -0.143 3.818 3.960 0.002 0.000 0.193 487 G C 0.077 174.996 174.900 0.032 0.000 0.999 487 G CA 0.001 45.208 45.100 0.178 0.000 0.659 487 G HN 0.404 nan 8.290 nan 0.000 0.503 488 L N 1.848 123.021 121.223 -0.083 0.000 2.380 488 L HA 0.600 4.941 4.340 0.002 0.000 0.273 488 L C 0.194 176.940 176.870 -0.207 0.000 1.138 488 L CA -0.288 54.262 54.840 -0.483 0.000 0.832 488 L CB 1.388 43.041 42.059 -0.676 0.000 1.124 488 L HN -0.015 nan 8.230 nan 0.000 0.454 489 V N 5.126 124.918 119.914 -0.203 0.000 2.459 489 V HA 0.269 4.390 4.120 0.002 0.000 0.295 489 V C 0.005 176.042 176.094 -0.094 0.000 1.029 489 V CA -0.695 61.540 62.300 -0.109 0.000 0.874 489 V CB 1.883 33.656 31.823 -0.083 0.000 0.985 489 V HN 0.462 nan 8.190 nan 0.000 0.438 490 V N 4.294 124.173 119.914 -0.059 0.000 2.270 490 V HA 0.155 4.276 4.120 0.002 0.000 0.263 490 V C 1.127 177.202 176.094 -0.033 0.000 1.066 490 V CA 0.103 62.377 62.300 -0.043 0.000 0.857 490 V CB 0.835 32.643 31.823 -0.024 0.000 1.099 490 V HN 1.066 nan 8.190 nan 0.000 0.476 491 S N 2.101 117.780 115.700 -0.035 0.000 2.603 491 S HA 0.539 5.010 4.470 0.002 0.000 0.220 491 S C 0.609 175.198 174.600 -0.019 0.000 0.967 491 S CA 0.326 58.512 58.200 -0.023 0.000 0.920 491 S CB 0.237 63.426 63.200 -0.017 0.000 0.773 491 S HN 1.083 nan 8.310 nan 0.000 0.529 492 A N 0.786 123.594 122.820 -0.020 0.000 2.594 492 A HA 0.673 4.994 4.320 0.002 0.000 0.296 492 A C -0.320 177.266 177.584 0.002 0.000 1.056 492 A CA -0.448 51.580 52.037 -0.015 0.000 0.693 492 A CB 0.794 19.773 19.000 -0.034 0.000 1.278 492 A HN 0.511 nan 8.150 nan 0.000 0.408 493 T N -1.635 112.928 114.554 0.016 0.000 2.778 493 T HA 0.847 5.198 4.350 0.002 0.000 0.293 493 T C -0.557 174.177 174.700 0.058 0.000 1.144 493 T CA -0.520 61.600 62.100 0.033 0.000 1.010 493 T CB 1.685 70.569 68.868 0.027 0.000 1.325 493 T HN 0.889 nan 8.240 nan 0.000 0.515 494 T N 2.971 117.572 114.554 0.078 0.000 2.792 494 T HA 0.499 4.850 4.350 0.002 0.000 0.280 494 T C -1.991 172.776 174.700 0.111 0.000 0.990 494 T CA -1.475 60.699 62.100 0.124 0.000 0.960 494 T CB 1.733 70.721 68.868 0.201 0.000 0.939 494 T HN 0.511 nan 8.240 nan 0.000 0.439 495 P HA 0.107 nan 4.420 nan 0.000 0.239 495 P C 0.834 178.183 177.300 0.081 0.000 1.184 495 P CA 0.644 63.782 63.100 0.064 0.000 0.760 495 P CB -0.211 31.512 31.700 0.039 0.000 0.884 496 G N 0.084 108.975 108.800 0.152 0.000 2.610 496 G HA2 -0.076 3.885 3.960 0.002 0.000 0.304 496 G HA3 -0.076 3.885 3.960 0.002 0.000 0.304 496 G C -1.171 173.754 174.900 0.041 0.000 1.309 496 G CA -0.254 44.973 45.100 0.212 0.000 0.906 496 G HN 0.376 nan 8.290 nan 0.000 0.521 497 M N 0.211 119.754 119.600 -0.096 0.000 2.355 497 M HA 0.598 5.079 4.480 0.002 0.000 0.232 497 M C 0.626 176.769 176.300 -0.262 0.000 0.988 497 M CA 0.706 55.760 55.300 -0.410 0.000 0.931 497 M CB 1.266 33.152 32.600 -1.190 0.000 2.294 497 M HN 2.907 nan 8.290 nan 0.000 0.459 498 R N 1.438 121.839 120.500 -0.164 0.000 3.776 498 R HA -0.085 4.256 4.340 0.002 0.000 0.312 498 R C 0.847 177.126 176.300 -0.036 0.000 1.181 498 R CA 1.898 57.941 56.100 -0.094 0.000 0.836 498 R CB -3.302 26.936 30.300 -0.103 0.000 1.324 498 R HN 2.417 nan 8.270 nan 0.000 0.501 499 G N -1.888 106.901 108.800 -0.020 0.000 2.160 499 G HA2 -0.250 3.711 3.960 0.002 0.000 0.244 499 G HA3 -0.250 3.711 3.960 0.002 0.000 0.244 499 G C -0.004 174.927 174.900 0.052 0.000 1.022 499 G CA 0.855 45.964 45.100 0.015 0.000 0.741 499 G HN 1.344 nan 8.290 nan 0.000 0.508 500 R N -0.430 120.130 120.500 0.101 0.000 2.670 500 R HA 0.550 4.891 4.340 0.002 0.000 0.289 500 R C 1.210 177.673 176.300 0.272 0.000 0.965 500 R CA 0.003 56.209 56.100 0.178 0.000 0.899 500 R CB 1.023 31.469 30.300 0.242 0.000 1.173 500 R HN 1.314 nan 8.270 nan 0.000 0.456 501 G N 1.877 110.766 108.800 0.149 0.000 2.283 501 G HA2 -0.334 3.627 3.960 0.002 0.000 0.280 501 G HA3 -0.334 3.627 3.960 0.002 0.000 0.280 501 G C 0.135 175.107 174.900 0.119 0.000 1.029 501 G CA 0.545 45.696 45.100 0.086 0.000 0.840 501 G HN 0.824 nan 8.290 nan 0.000 0.505 502 A N -0.664 122.221 122.820 0.109 0.000 2.522 502 A HA 0.632 4.953 4.320 0.002 0.000 0.256 502 A C 1.955 179.576 177.584 0.061 0.000 1.086 502 A CA 1.611 53.701 52.037 0.088 0.000 0.763 502 A CB -0.061 18.975 19.000 0.061 0.000 1.024 502 A HN 2.395 nan 8.150 nan 0.000 0.502 503 G N 1.576 110.413 108.800 0.061 0.000 2.195 503 G HA2 -0.207 3.754 3.960 0.002 0.000 0.246 503 G HA3 -0.207 3.754 3.960 0.002 0.000 0.246 503 G C 0.238 175.160 174.900 0.037 0.000 0.984 503 G CA 0.148 45.273 45.100 0.042 0.000 0.633 503 G HN 0.831 nan 8.290 nan 0.000 0.525 504 L N 1.159 122.403 121.223 0.035 0.000 2.514 504 L HA 0.274 4.615 4.340 0.002 0.000 0.280 504 L C 1.337 178.222 176.870 0.024 0.000 1.223 504 L CA -0.373 54.478 54.840 0.019 0.000 0.864 504 L CB 0.613 42.661 42.059 -0.019 0.000 1.118 504 L HN -0.015 nan 8.230 nan 0.000 0.494 505 V N 3.450 123.377 119.914 0.022 0.000 2.572 505 V HA -0.000 4.121 4.120 0.002 0.000 0.291 505 V C 0.940 177.046 176.094 0.019 0.000 1.039 505 V CA 0.085 62.395 62.300 0.017 0.000 1.055 505 V CB 1.030 32.859 31.823 0.011 0.000 0.969 505 V HN 0.784 nan 8.190 nan 0.000 0.482 506 E N 2.647 122.860 120.200 0.023 0.000 2.434 506 E HA 0.395 4.746 4.350 0.002 0.000 0.207 506 E C 0.384 176.982 176.600 -0.004 0.000 0.929 506 E CA 0.593 57.019 56.400 0.043 0.000 1.001 506 E CB 1.372 31.121 29.700 0.081 0.000 1.016 506 E HN 0.766 nan 8.360 nan 0.000 0.502 507 A N 0.925 123.731 122.820 -0.023 0.000 2.594 507 A HA 0.648 4.969 4.320 0.002 0.000 0.295 507 A C -1.163 176.389 177.584 -0.053 0.000 1.071 507 A CA -0.748 51.261 52.037 -0.046 0.000 0.685 507 A CB 1.053 20.026 19.000 -0.046 0.000 1.285 507 A HN 0.089 nan 8.150 nan 0.000 0.405 508 I N -1.733 118.795 120.570 -0.069 0.000 3.074 508 I HA 0.974 5.145 4.170 0.002 0.000 0.310 508 I C -0.606 175.462 176.117 -0.081 0.000 1.153 508 I CA -0.697 60.553 61.300 -0.083 0.000 0.993 508 I CB 2.221 40.165 38.000 -0.094 0.000 1.237 508 I HN 0.961 nan 8.210 nan 0.000 0.443 509 E N 2.587 122.733 120.200 -0.090 0.000 2.417 509 E HA 0.638 4.989 4.350 0.002 0.000 0.280 509 E C -1.920 174.619 176.600 -0.101 0.000 1.112 509 E CA -1.099 55.268 56.400 -0.055 0.000 0.863 509 E CB 1.605 31.250 29.700 -0.092 0.000 1.346 509 E HN 0.623 nan 8.360 nan 0.000 0.443 510 L N 0.531 121.710 121.223 -0.074 0.000 2.365 510 L HA 0.571 4.912 4.340 0.002 0.000 0.273 510 L C 1.148 177.997 176.870 -0.035 0.000 1.000 510 L CA -0.243 54.516 54.840 -0.135 0.000 0.819 510 L CB 1.533 43.418 42.059 -0.290 0.000 1.284 510 L HN 0.982 nan 8.230 nan 0.000 0.418 511 K N 0.937 121.323 120.400 -0.024 0.000 2.044 511 K HA -0.013 4.308 4.320 0.002 0.000 0.204 511 K C 0.919 177.547 176.600 0.047 0.000 1.049 511 K CA 1.541 57.836 56.287 0.013 0.000 0.945 511 K CB -1.125 31.378 32.500 0.005 0.000 0.724 511 K HN 0.844 nan 8.250 nan 0.000 0.440 512 D N 0.817 121.243 120.400 0.043 0.000 2.713 512 D HA 0.450 5.091 4.640 0.002 0.000 0.229 512 D C -0.398 175.970 176.300 0.114 0.000 1.136 512 D CA -0.033 54.000 54.000 0.055 0.000 1.010 512 D CB -0.797 40.020 40.800 0.029 0.000 1.084 512 D HN 0.741 nan 8.370 nan 0.000 0.495 513 H N -1.173 117.908 119.070 0.019 0.000 3.112 513 H HA 0.358 4.915 4.556 0.002 0.000 0.347 513 H C -1.894 173.500 175.328 0.111 0.000 1.188 513 H CA -0.819 55.263 56.048 0.056 0.000 1.240 513 H CB 2.448 32.236 29.762 0.043 0.000 1.920 513 H HN -0.007 nan 8.280 nan 0.000 0.535 514 P HA -0.102 nan 4.420 nan 0.000 0.215 514 P C -0.300 177.246 177.300 0.410 0.000 1.157 514 P CA 1.307 64.504 63.100 0.162 0.000 0.874 514 P CB 0.780 32.531 31.700 0.085 0.000 0.790 515 F N -1.101 119.126 119.950 0.461 0.000 3.240 515 F HA 0.439 4.967 4.527 0.002 0.000 0.370 515 F C -1.905 174.149 175.800 0.423 0.000 1.271 515 F CA -0.934 57.285 58.000 0.365 0.000 1.224 515 F CB 0.732 39.858 39.000 0.211 0.000 1.624 515 F HN -0.295 nan 8.300 nan 0.000 0.658 516 F N 8.017 127.829 119.950 -0.230 0.000 2.577 516 F HA 0.690 5.218 4.527 0.001 0.000 0.344 516 F C -2.047 173.537 175.800 -0.359 0.000 1.145 516 F CA -0.654 57.159 58.000 -0.311 0.000 0.996 516 F CB 1.033 39.639 39.000 -0.656 0.000 1.248 516 F HN 0.385 nan 8.300 nan 0.000 0.447 517 L N 4.711 125.650 121.223 -0.474 0.000 2.445 517 L HA 0.871 5.212 4.340 0.002 0.000 0.262 517 L C -1.143 175.550 176.870 -0.296 0.000 0.974 517 L CA -0.441 54.177 54.840 -0.370 0.000 0.822 517 L CB 2.138 43.894 42.059 -0.504 0.000 1.339 517 L HN 0.693 nan 8.230 nan 0.000 0.409 518 G N 3.767 112.452 108.800 -0.192 0.000 2.638 518 G HA2 0.673 4.634 3.960 0.002 0.000 0.302 518 G HA3 0.673 4.634 3.960 0.002 0.000 0.302 518 G C -2.045 172.772 174.900 -0.138 0.000 1.365 518 G CA -0.403 44.593 45.100 -0.173 0.000 0.987 518 G HN 0.353 nan 8.290 nan 0.000 0.495 519 L N 0.888 122.016 121.223 -0.158 0.000 2.370 519 L HA 0.473 4.814 4.340 0.002 0.000 0.266 519 L C 1.190 177.954 176.870 -0.177 0.000 1.002 519 L CA -0.692 54.071 54.840 -0.128 0.000 0.818 519 L CB 2.361 44.364 42.059 -0.095 0.000 1.325 519 L HN 0.424 nan 8.230 nan 0.000 0.418 520 Q N 0.150 119.854 119.800 -0.160 0.000 2.389 520 Q HA 0.058 4.399 4.340 0.002 0.000 0.204 520 Q C 0.701 176.484 176.000 -0.363 0.000 0.944 520 Q CA 0.378 56.026 55.803 -0.258 0.000 0.908 520 Q CB 0.410 29.049 28.738 -0.164 0.000 1.002 520 Q HN 0.825 nan 8.270 nan 0.000 0.493 521 S N -0.507 114.958 115.700 -0.391 0.000 2.713 521 S HA 0.239 4.710 4.470 0.002 0.000 0.277 521 S C 0.025 174.386 174.600 -0.399 0.000 1.168 521 S CA -0.639 57.175 58.200 -0.642 0.000 0.994 521 S CB 0.793 63.531 63.200 -0.770 0.000 1.054 521 S HN 0.183 nan 8.310 nan 0.000 0.555 522 H N 1.923 120.866 119.070 -0.213 0.000 2.680 522 H HA 0.317 4.874 4.556 0.001 0.000 0.260 522 H C -1.696 173.534 175.328 -0.162 0.000 1.328 522 H CA -1.899 53.986 56.048 -0.271 0.000 1.269 522 H CB 0.959 30.328 29.762 -0.655 0.000 1.446 522 H HN 0.567 nan 8.280 nan 0.000 0.527 523 P HA -0.103 nan 4.420 nan 0.000 0.226 523 P C 0.681 178.062 177.300 0.136 0.000 1.153 523 P CA 0.666 63.886 63.100 0.201 0.000 0.777 523 P CB 0.619 32.512 31.700 0.322 0.000 0.794 524 E N -0.153 120.052 120.200 0.010 0.000 2.110 524 E HA -0.158 4.193 4.350 0.002 0.000 0.193 524 E C 1.721 178.352 176.600 0.052 0.000 0.988 524 E CA 1.079 57.353 56.400 -0.210 0.000 0.804 524 E CB -1.316 28.251 29.700 -0.222 0.000 0.745 524 E HN 0.188 nan 8.360 nan 0.000 0.458 525 F N 1.441 121.431 119.950 0.067 0.000 2.154 525 F HA -0.146 4.381 4.527 0.001 0.000 0.301 525 F C 1.763 177.659 175.800 0.160 0.000 1.087 525 F CA 1.162 59.193 58.000 0.051 0.000 1.274 525 F CB -0.419 38.452 39.000 -0.216 0.000 1.009 525 F HN -0.002 nan 8.300 nan 0.000 0.485 526 K N -0.387 120.196 120.400 0.306 0.000 2.393 526 K HA 0.077 4.398 4.320 0.002 0.000 0.193 526 K C 0.928 177.636 176.600 0.180 0.000 1.026 526 K CA 0.102 56.531 56.287 0.237 0.000 1.064 526 K CB 0.103 32.719 32.500 0.194 0.000 0.833 526 K HN 0.026 nan 8.250 nan 0.000 0.521 527 S N 1.588 117.388 115.700 0.167 0.000 2.549 527 S HA 0.063 4.533 4.470 0.002 0.000 0.286 527 S C -0.066 174.621 174.600 0.145 0.000 1.314 527 S CA -0.040 58.249 58.200 0.148 0.000 1.062 527 S CB 0.324 63.593 63.200 0.114 0.000 0.865 527 S HN 0.109 nan 8.310 nan 0.000 0.498 528 R N 3.906 124.365 120.500 -0.068 0.000 2.795 528 R HA 0.321 4.662 4.340 0.002 0.000 0.275 528 R C -2.318 173.552 176.300 -0.716 0.000 0.981 528 R CA -2.174 53.731 56.100 -0.325 0.000 0.917 528 R CB 0.510 30.685 30.300 -0.209 0.000 1.202 528 R HN 0.301 nan 8.270 nan 0.000 0.469 529 P HA -0.141 nan 4.420 nan 0.000 0.216 529 P C 1.592 178.652 177.300 -0.400 0.000 1.150 529 P CA 1.915 64.660 63.100 -0.590 0.000 0.837 529 P CB 0.209 31.634 31.700 -0.458 0.000 0.786 530 M N -1.843 117.291 119.600 -0.777 0.000 2.492 530 M HA 0.056 4.537 4.480 0.002 0.000 0.262 530 M C 1.157 177.156 176.300 -0.501 0.000 1.090 530 M CA 1.521 56.206 55.300 -1.026 0.000 1.110 530 M CB -0.907 31.028 32.600 -1.110 0.000 1.407 530 M HN -0.156 nan 8.290 nan 0.000 0.470 531 R N 0.686 120.983 120.500 -0.338 0.000 2.680 531 R HA 0.367 4.708 4.340 0.002 0.000 0.278 531 R C -3.113 173.118 176.300 -0.114 0.000 1.582 531 R CA -1.753 54.231 56.100 -0.193 0.000 1.177 531 R CB 1.369 31.578 30.300 -0.153 0.000 1.232 531 R HN 0.246 nan 8.270 nan 0.000 0.528 532 P HA -0.037 nan 4.420 nan 0.000 0.269 532 P C -0.215 177.090 177.300 0.009 0.000 1.209 532 P CA -0.004 63.114 63.100 0.030 0.000 0.776 532 P CB 0.850 32.588 31.700 0.062 0.000 0.876 533 S N 3.666 119.393 115.700 0.046 0.000 2.488 533 S HA 0.133 4.604 4.470 0.002 0.000 0.278 533 S C -1.131 173.489 174.600 0.034 0.000 1.259 533 S CA -1.433 56.794 58.200 0.045 0.000 1.061 533 S CB -0.252 63.024 63.200 0.126 0.000 0.910 533 S HN 0.295 nan 8.310 nan 0.000 0.491 534 P HA -0.120 nan 4.420 nan 0.000 0.216 534 P C -1.603 175.667 177.300 -0.050 0.000 1.157 534 P CA 1.621 64.561 63.100 -0.267 0.000 0.880 534 P CB -1.302 29.931 31.700 -0.777 0.000 0.791 535 P HA -0.138 nan 4.420 nan 0.000 0.216 535 P C 1.456 178.787 177.300 0.052 0.000 1.150 535 P CA 1.325 64.493 63.100 0.113 0.000 0.843 535 P CB -0.578 31.177 31.700 0.091 0.000 0.787 536 F N -1.595 118.377 119.950 0.037 0.000 2.234 536 F HA -0.080 4.448 4.527 0.001 0.000 0.296 536 F C 2.302 178.126 175.800 0.041 0.000 1.089 536 F CA 0.759 58.794 58.000 0.059 0.000 1.343 536 F CB -1.406 37.612 39.000 0.031 0.000 1.040 536 F HN -0.292 nan 8.300 nan 0.000 0.498 537 V N 0.010 120.029 119.914 0.176 0.000 2.343 537 V HA -0.244 3.877 4.120 0.002 0.000 0.247 537 V C 2.625 178.702 176.094 -0.028 0.000 1.051 537 V CA 2.098 64.434 62.300 0.061 0.000 1.036 537 V CB -1.440 30.401 31.823 0.029 0.000 0.654 537 V HN 0.462 nan 8.190 nan 0.000 0.451 538 G N -1.002 107.784 108.800 -0.023 0.000 2.402 538 G HA2 -0.284 3.676 3.960 0.002 0.000 0.216 538 G HA3 -0.284 3.676 3.960 0.002 0.000 0.216 538 G C 1.521 175.991 174.900 -0.717 0.000 1.162 538 G CA 0.880 45.881 45.100 -0.164 0.000 0.777 538 G HN 0.451 nan 8.290 nan 0.000 0.539 539 F N 1.720 121.203 119.950 -0.779 0.000 2.065 539 F HA -0.153 4.375 4.527 0.002 0.000 0.298 539 F C 2.699 178.176 175.800 -0.538 0.000 1.112 539 F CA 1.652 59.136 58.000 -0.859 0.000 1.212 539 F CB -0.592 38.143 39.000 -0.442 0.000 0.975 539 F HN 0.010 nan 8.300 nan 0.000 0.476 540 V N 0.670 120.346 119.914 -0.397 0.000 2.407 540 V HA -0.301 3.820 4.120 0.002 0.000 0.248 540 V C 2.415 178.303 176.094 -0.343 0.000 1.055 540 V CA 2.163 64.225 62.300 -0.395 0.000 1.049 540 V CB -0.899 30.838 31.823 -0.143 0.000 0.662 540 V HN 0.498 nan 8.190 nan 0.000 0.455 541 E N 0.718 120.748 120.200 -0.284 0.000 2.031 541 E HA -0.249 4.101 4.350 0.002 0.000 0.193 541 E C 2.249 178.707 176.600 -0.236 0.000 0.994 541 E CA 1.576 57.851 56.400 -0.208 0.000 0.800 541 E CB -0.302 29.308 29.700 -0.150 0.000 0.752 541 E HN 0.523 nan 8.360 nan 0.000 0.447 542 A N 1.285 123.884 122.820 -0.368 0.000 1.908 542 A HA -0.137 4.184 4.320 0.002 0.000 0.218 542 A C 2.442 179.891 177.584 -0.224 0.000 1.181 542 A CA 2.026 53.902 52.037 -0.269 0.000 0.627 542 A CB -0.916 17.842 19.000 -0.404 0.000 0.818 542 A HN 0.463 nan 8.150 nan 0.000 0.445 543 A N -0.292 122.280 122.820 -0.413 0.000 1.908 543 A HA -0.091 4.230 4.320 0.002 0.000 0.218 543 A C 2.169 179.660 177.584 -0.154 0.000 1.181 543 A CA 1.625 53.439 52.037 -0.373 0.000 0.627 543 A CB -0.615 18.006 19.000 -0.632 0.000 0.818 543 A HN 0.489 nan 8.150 nan 0.000 0.445 544 L N -0.887 120.242 121.223 -0.158 0.000 2.056 544 L HA -0.172 4.169 4.340 0.002 0.000 0.207 544 L C 3.104 179.955 176.870 -0.033 0.000 1.078 544 L CA 1.016 55.807 54.840 -0.082 0.000 0.749 544 L CB -0.569 41.438 42.059 -0.088 0.000 0.901 544 L HN 0.429 nan 8.230 nan 0.000 0.433 545 A N -0.459 122.343 122.820 -0.030 0.000 1.865 545 A HA -0.317 4.004 4.320 0.002 0.000 0.217 545 A C 2.234 179.837 177.584 0.032 0.000 1.191 545 A CA 1.845 53.882 52.037 -0.001 0.000 0.623 545 A CB -1.126 17.880 19.000 0.010 0.000 0.826 545 A HN 0.480 nan 8.150 nan 0.000 0.444 546 Y N 0.413 120.670 120.300 -0.071 0.000 2.193 546 Y HA -0.315 4.236 4.550 0.002 0.000 0.285 546 Y C 2.541 178.411 175.900 -0.050 0.000 1.166 546 Y CA 2.507 60.574 58.100 -0.055 0.000 1.181 546 Y CB -0.296 38.128 38.460 -0.061 0.000 0.976 546 Y HN 0.488 nan 8.280 nan 0.000 0.520 547 Q N 0.460 120.322 119.800 0.104 0.000 2.291 547 Q HA -0.023 4.318 4.340 0.002 0.000 0.205 547 Q C -0.030 175.938 176.000 -0.052 0.000 0.970 547 Q CA 1.288 57.108 55.803 0.028 0.000 0.876 547 Q CB 0.172 28.928 28.738 0.030 0.000 0.935 547 Q HN 0.573 nan 8.270 nan 0.000 0.455 548 E N 0.000 120.165 120.200 -0.058 0.000 2.725 548 E HA 0.000 4.351 4.350 0.002 0.000 0.291 548 E CA 0.000 56.363 56.400 -0.062 0.000 0.976 548 E CB 0.000 29.654 29.700 -0.077 0.000 0.812 548 E HN 0.000 nan 8.360 nan 0.000 0.440