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 1krb_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIAED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N 0.019 118.736 118.700 0.027 0.000 2.277 3 N HA 0.722 5.462 4.740 -0.000 0.000 0.286 3 N C -1.946 173.585 175.510 0.034 0.000 1.140 3 N CA -0.348 52.711 53.050 0.014 0.000 0.799 3 N CB 2.541 41.030 38.487 0.004 0.000 1.596 3 N HN 0.689 nan 8.380 nan 0.000 0.473 4 I N 1.025 121.616 120.570 0.035 0.000 2.656 4 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 4 I C -0.051 176.098 176.117 0.054 0.000 1.144 4 I CA -0.454 60.892 61.300 0.077 0.000 1.038 4 I CB 1.872 39.973 38.000 0.169 0.000 1.244 4 I HN 0.600 nan 8.210 nan 0.000 0.420 5 S N 6.211 121.946 115.700 0.059 0.000 2.585 5 S HA 0.307 4.777 4.470 -0.000 0.000 0.273 5 S C 1.048 175.692 174.600 0.074 0.000 1.339 5 S CA -0.384 57.840 58.200 0.040 0.000 1.028 5 S CB 1.449 64.670 63.200 0.035 0.000 0.906 5 S HN 0.812 nan 8.310 nan 0.000 0.528 6 R N 0.562 121.081 120.500 0.032 0.000 2.127 6 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 6 R C 2.388 178.764 176.300 0.126 0.000 1.134 6 R CA 1.750 57.881 56.100 0.051 0.000 0.975 6 R CB -0.434 29.861 30.300 -0.008 0.000 0.865 6 R HN 0.808 nan 8.270 nan 0.000 0.447 7 Q N 0.698 120.551 119.800 0.089 0.000 2.046 7 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 7 Q C 1.917 177.975 176.000 0.096 0.000 0.975 7 Q CA 2.060 57.914 55.803 0.085 0.000 0.836 7 Q CB -0.284 28.486 28.738 0.053 0.000 0.896 7 Q HN 0.293 nan 8.270 nan 0.000 0.428 8 A N -0.612 122.263 122.820 0.093 0.000 1.933 8 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 8 A C 2.050 179.697 177.584 0.104 0.000 1.175 8 A CA 1.497 53.578 52.037 0.074 0.000 0.628 8 A CB -1.115 17.926 19.000 0.068 0.000 0.814 8 A HN 0.621 nan 8.150 nan 0.000 0.444 9 Y N 0.615 120.966 120.300 0.085 0.000 2.097 9 Y HA -0.150 4.400 4.550 -0.000 0.000 0.282 9 Y C 2.712 178.724 175.900 0.185 0.000 1.152 9 Y CA 1.563 59.776 58.100 0.188 0.000 1.136 9 Y CB -0.581 37.961 38.460 0.137 0.000 0.975 9 Y HN 0.313 nan 8.280 nan 0.000 0.498 10 A N 0.094 123.105 122.820 0.319 0.000 1.908 10 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 10 A C 1.881 179.499 177.584 0.057 0.000 1.181 10 A CA 2.159 54.324 52.037 0.213 0.000 0.627 10 A CB -0.968 18.139 19.000 0.179 0.000 0.818 10 A HN 0.558 nan 8.150 nan 0.000 0.445 11 D N -0.870 119.538 120.400 0.013 0.000 2.178 11 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 11 D C 1.961 178.168 176.300 -0.154 0.000 0.980 11 D CA 1.336 55.307 54.000 -0.047 0.000 0.842 11 D CB -0.194 40.585 40.800 -0.036 0.000 0.948 11 D HN 0.538 nan 8.370 nan 0.000 0.472 12 M N -1.510 117.910 119.600 -0.301 0.000 2.412 12 M HA 0.075 4.555 4.480 -0.000 0.000 0.263 12 M C 0.850 176.681 176.300 -0.782 0.000 1.122 12 M CA 0.787 55.704 55.300 -0.638 0.000 1.179 12 M CB 0.226 32.205 32.600 -1.036 0.000 1.335 12 M HN -0.092 nan 8.290 nan 0.000 0.465 13 F N 0.275 120.067 119.950 -0.262 0.000 2.678 13 F HA 0.473 5.000 4.527 -0.000 0.000 0.305 13 F C 1.150 176.925 175.800 -0.043 0.000 1.090 13 F CA 0.032 57.908 58.000 -0.207 0.000 1.272 13 F CB -0.144 38.591 39.000 -0.441 0.000 1.060 13 F HN 0.238 nan 8.300 nan 0.000 0.576 14 G N 1.333 110.195 108.800 0.105 0.000 2.707 14 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 14 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 14 G C -2.910 172.129 174.900 0.232 0.000 1.315 14 G CA -1.345 43.842 45.100 0.145 0.000 0.832 14 G HN -0.029 nan 8.290 nan 0.000 0.573 15 P HA 0.382 nan 4.420 nan 0.000 0.269 15 P C 0.152 177.592 177.300 0.233 0.000 1.215 15 P CA 0.555 63.775 63.100 0.200 0.000 0.780 15 P CB 1.497 33.274 31.700 0.128 0.000 0.898 16 T N 0.055 114.733 114.554 0.207 0.000 2.773 16 T HA 0.282 4.632 4.350 -0.000 0.000 0.278 16 T C -0.419 174.347 174.700 0.111 0.000 1.011 16 T CA -0.789 61.420 62.100 0.182 0.000 1.014 16 T CB 0.669 69.641 68.868 0.172 0.000 1.293 16 T HN 0.114 nan 8.240 nan 0.000 0.554 17 V N 2.322 122.298 119.914 0.104 0.000 2.644 17 V HA 0.286 4.406 4.120 -0.000 0.000 0.303 17 V C 1.872 177.996 176.094 0.050 0.000 1.058 17 V CA 1.732 64.076 62.300 0.074 0.000 1.228 17 V CB -0.302 31.567 31.823 0.077 0.000 0.861 17 V HN 1.334 nan 8.190 nan 0.000 0.484 18 G N 3.658 112.485 108.800 0.044 0.000 2.258 18 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.233 18 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.233 18 G C -0.040 174.881 174.900 0.035 0.000 1.006 18 G CA 0.058 45.176 45.100 0.030 0.000 0.620 18 G HN 0.675 nan 8.290 nan 0.000 0.511 19 D N 1.405 121.837 120.400 0.053 0.000 2.341 19 D HA 0.556 5.196 4.640 -0.000 0.000 0.245 19 D C 0.600 176.951 176.300 0.085 0.000 1.106 19 D CA 0.385 54.427 54.000 0.069 0.000 0.905 19 D CB 0.968 41.822 40.800 0.090 0.000 1.202 19 D HN 0.420 nan 8.370 nan 0.000 0.426 20 K N 0.199 120.672 120.400 0.121 0.000 2.267 20 K HA 0.685 5.005 4.320 -0.000 0.000 0.246 20 K C -1.032 175.729 176.600 0.268 0.000 0.954 20 K CA -0.980 55.427 56.287 0.201 0.000 0.824 20 K CB 2.285 34.923 32.500 0.230 0.000 1.167 20 K HN 0.081 nan 8.250 nan 0.000 0.431 21 V N 1.696 121.734 119.914 0.207 0.000 2.686 21 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 21 V C -0.554 175.381 176.094 -0.266 0.000 1.065 21 V CA -1.014 61.289 62.300 0.005 0.000 0.894 21 V CB 1.725 33.501 31.823 -0.077 0.000 1.004 21 V HN 0.720 nan 8.190 nan 0.000 0.424 22 R N 4.390 124.477 120.500 -0.688 0.000 2.340 22 R HA 0.511 4.851 4.340 -0.000 0.000 0.300 22 R C -0.962 174.962 176.300 -0.627 0.000 1.069 22 R CA -0.548 54.882 56.100 -1.117 0.000 0.984 22 R CB 0.629 30.073 30.300 -1.426 0.000 1.003 22 R HN 0.731 nan 8.270 nan 0.000 0.459 23 L N 6.324 127.201 121.223 -0.577 0.000 2.342 23 L HA 0.242 4.582 4.340 -0.000 0.000 0.285 23 L C 1.180 177.856 176.870 -0.324 0.000 1.095 23 L CA 0.316 54.866 54.840 -0.483 0.000 0.843 23 L CB 0.444 42.154 42.059 -0.582 0.000 1.201 23 L HN 1.144 nan 8.230 nan 0.000 0.445 24 A N 4.247 126.923 122.820 -0.240 0.000 5.483 24 A HA -0.312 4.008 4.320 -0.000 0.000 0.309 24 A C 0.801 178.287 177.584 -0.162 0.000 1.898 24 A CA 1.489 53.421 52.037 -0.175 0.000 0.716 24 A CB -1.094 17.783 19.000 -0.205 0.000 1.309 24 A HN 0.950 nan 8.150 nan 0.000 0.380 25 D N 0.079 120.427 120.400 -0.087 0.000 2.525 25 D HA 0.345 4.985 4.640 -0.000 0.000 0.229 25 D C 0.663 176.886 176.300 -0.128 0.000 1.202 25 D CA 1.004 54.949 54.000 -0.092 0.000 0.828 25 D CB -0.947 39.835 40.800 -0.029 0.000 1.008 25 D HN 1.098 nan 8.370 nan 0.000 0.493 26 T N -2.641 111.817 114.554 -0.160 0.000 2.852 26 T HA 0.274 4.624 4.350 -0.000 0.000 0.281 26 T C 0.709 175.429 174.700 0.032 0.000 0.993 26 T CA -0.506 61.535 62.100 -0.098 0.000 0.933 26 T CB 1.718 70.562 68.868 -0.040 0.000 1.187 26 T HN -0.233 nan 8.240 nan 0.000 0.559 27 E N 0.243 120.629 120.200 0.311 0.000 2.419 27 E HA 0.300 4.650 4.350 -0.000 0.000 0.190 27 E C -0.279 176.410 176.600 0.150 0.000 1.040 27 E CA -0.107 56.414 56.400 0.201 0.000 0.900 27 E CB -0.274 29.527 29.700 0.168 0.000 1.054 27 E HN 0.526 nan 8.360 nan 0.000 0.462 28 L N 0.275 121.492 121.223 -0.009 0.000 2.307 28 L HA 0.400 4.739 4.340 -0.000 0.000 0.282 28 L C -0.497 176.253 176.870 -0.200 0.000 1.051 28 L CA -0.663 54.168 54.840 -0.015 0.000 0.804 28 L CB 0.793 42.818 42.059 -0.058 0.000 1.197 28 L HN -0.079 nan 8.230 nan 0.000 0.431 29 W N 4.248 125.506 121.300 -0.070 0.000 2.785 29 W HA 0.652 5.311 4.660 -0.000 0.000 0.333 29 W C -0.269 176.193 176.519 -0.094 0.000 1.062 29 W CA -0.464 56.830 57.345 -0.084 0.000 1.233 29 W CB 1.584 31.014 29.460 -0.050 0.000 1.413 29 W HN 0.239 nan 8.180 nan 0.000 0.489 30 I N -0.440 120.174 120.570 0.074 0.000 2.648 30 I HA 0.705 4.875 4.170 -0.000 0.000 0.304 30 I C -0.626 175.527 176.117 0.060 0.000 1.009 30 I CA -1.142 60.162 61.300 0.007 0.000 1.114 30 I CB 2.268 40.190 38.000 -0.130 0.000 1.293 30 I HN 0.434 nan 8.210 nan 0.000 0.449 31 E N 3.801 124.027 120.200 0.043 0.000 2.224 31 E HA 0.404 4.754 4.350 -0.000 0.000 0.265 31 E C -1.372 175.248 176.600 0.033 0.000 0.878 31 E CA -0.893 55.538 56.400 0.051 0.000 0.759 31 E CB 2.350 32.080 29.700 0.050 0.000 1.164 31 E HN 0.608 nan 8.360 nan 0.000 0.414 32 V N 5.279 125.217 119.914 0.040 0.000 2.452 32 V HA -0.072 4.048 4.120 -0.000 0.000 0.286 32 V C 1.018 177.140 176.094 0.046 0.000 0.995 32 V CA 0.828 63.153 62.300 0.043 0.000 1.116 32 V CB 0.386 32.248 31.823 0.066 0.000 0.954 32 V HN 0.843 nan 8.190 nan 0.000 0.473 33 E N 2.346 122.571 120.200 0.042 0.000 2.170 33 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 33 E C 0.322 176.958 176.600 0.060 0.000 0.981 33 E CA 0.535 56.966 56.400 0.051 0.000 0.830 33 E CB 0.353 30.086 29.700 0.054 0.000 0.775 33 E HN 0.762 nan 8.360 nan 0.000 0.470 34 D N -0.661 119.779 120.400 0.066 0.000 2.654 34 D HA 0.150 4.790 4.640 -0.000 0.000 0.231 34 D C -2.002 174.339 176.300 0.068 0.000 1.239 34 D CA -0.527 53.513 54.000 0.067 0.000 0.790 34 D CB 2.015 42.862 40.800 0.079 0.000 1.480 34 D HN -0.207 nan 8.370 nan 0.000 0.442 35 D N 2.320 122.748 120.400 0.046 0.000 2.696 35 D HA 0.241 4.881 4.640 -0.000 0.000 0.251 35 D C 0.177 176.462 176.300 -0.026 0.000 1.188 35 D CA -0.416 53.602 54.000 0.031 0.000 0.876 35 D CB 1.567 42.390 40.800 0.038 0.000 1.334 35 D HN 0.128 nan 8.370 nan 0.000 0.540 36 L N 2.527 123.748 121.223 -0.003 0.000 2.612 36 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 36 L C 1.398 178.227 176.870 -0.069 0.000 1.140 36 L CA 0.436 55.262 54.840 -0.023 0.000 0.896 36 L CB -0.467 41.605 42.059 0.022 0.000 1.065 36 L HN 0.355 nan 8.230 nan 0.000 0.447 37 T N -1.073 113.406 114.554 -0.125 0.000 2.824 37 T HA 0.327 4.677 4.350 -0.000 0.000 0.277 37 T C 0.147 174.666 174.700 -0.301 0.000 0.975 37 T CA -0.202 61.798 62.100 -0.166 0.000 0.966 37 T CB 0.741 69.529 68.868 -0.133 0.000 1.054 37 T HN 0.065 nan 8.240 nan 0.000 0.533 38 T N 3.240 117.656 114.554 -0.230 0.000 2.809 38 T HA 0.373 4.723 4.350 -0.000 0.000 0.296 38 T C -1.080 173.526 174.700 -0.156 0.000 1.015 38 T CA -0.270 61.702 62.100 -0.214 0.000 0.954 38 T CB -0.123 68.691 68.868 -0.090 0.000 0.950 38 T HN 0.444 nan 8.240 nan 0.000 0.450 39 Y N 1.853 122.134 120.300 -0.033 0.000 2.805 39 Y HA 0.286 4.836 4.550 -0.000 0.000 0.331 39 Y C 1.702 177.586 175.900 -0.027 0.000 1.241 39 Y CA 1.166 59.245 58.100 -0.035 0.000 1.546 39 Y CB -0.252 38.174 38.460 -0.057 0.000 1.248 39 Y HN 0.999 nan 8.280 nan 0.000 0.559 40 G N 2.084 110.961 108.800 0.128 0.000 2.213 40 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 40 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 40 G C 0.726 175.637 174.900 0.018 0.000 0.991 40 G CA 0.111 45.248 45.100 0.063 0.000 0.629 40 G HN 0.519 nan 8.290 nan 0.000 0.517 41 E N 0.796 120.992 120.200 -0.006 0.000 2.548 41 E HA 0.220 4.570 4.350 -0.000 0.000 0.206 41 E C 0.375 176.959 176.600 -0.026 0.000 1.005 41 E CA 0.016 56.411 56.400 -0.008 0.000 0.951 41 E CB 0.469 30.166 29.700 -0.004 0.000 1.035 41 E HN 0.692 nan 8.360 nan 0.000 0.470 42 E N 0.768 120.912 120.200 -0.093 0.000 2.415 42 E HA 0.073 4.423 4.350 -0.000 0.000 0.262 42 E C 0.218 176.844 176.600 0.042 0.000 1.038 42 E CA -0.101 56.245 56.400 -0.090 0.000 0.921 42 E CB 0.837 30.302 29.700 -0.391 0.000 0.950 42 E HN -0.087 nan 8.360 nan 0.000 0.438 43 V N -0.220 119.751 119.914 0.094 0.000 2.481 43 V HA 0.570 4.690 4.120 -0.000 0.000 0.286 43 V C -0.091 176.115 176.094 0.187 0.000 1.042 43 V CA -0.686 61.691 62.300 0.128 0.000 0.928 43 V CB 1.282 33.168 31.823 0.105 0.000 0.986 43 V HN 0.525 nan 8.190 nan 0.000 0.462 44 K N 3.241 123.753 120.400 0.186 0.000 2.498 44 K HA 0.570 4.890 4.320 -0.000 0.000 0.254 44 K C -1.974 174.726 176.600 0.166 0.000 0.933 44 K CA -0.651 55.744 56.287 0.180 0.000 0.806 44 K CB 2.634 35.232 32.500 0.162 0.000 1.301 44 K HN 0.751 nan 8.250 nan 0.000 0.432 45 F N 1.603 121.574 119.950 0.036 0.000 2.450 45 F HA 0.740 5.267 4.527 -0.000 0.000 0.332 45 F C 0.095 175.899 175.800 0.006 0.000 1.093 45 F CA 0.341 58.353 58.000 0.021 0.000 1.003 45 F CB 1.840 40.850 39.000 0.018 0.000 1.151 45 F HN 0.654 nan 8.300 nan 0.000 0.474 46 G N 2.298 110.370 108.800 -1.213 0.000 2.356 46 G HA2 0.370 4.330 3.960 -0.000 0.000 0.300 46 G HA3 0.370 4.330 3.960 -0.000 0.000 0.300 46 G C -0.860 173.686 174.900 -0.589 0.000 1.331 46 G CA -0.481 44.108 45.100 -0.851 0.000 0.905 46 G HN 1.046 nan 8.290 nan 0.000 0.587 47 G N -0.868 107.720 108.800 -0.355 0.000 2.313 47 G HA2 0.546 4.506 3.960 -0.000 0.000 0.250 47 G HA3 0.546 4.506 3.960 -0.000 0.000 0.250 47 G C 1.441 176.244 174.900 -0.162 0.000 1.281 47 G CA 1.691 46.661 45.100 -0.217 0.000 0.917 47 G HN 2.436 nan 8.290 nan 0.000 0.501 48 G N 1.397 110.121 108.800 -0.127 0.000 2.153 48 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 48 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 48 G C 0.789 175.645 174.900 -0.074 0.000 0.994 48 G CA 0.837 45.889 45.100 -0.081 0.000 0.698 48 G HN 0.716 nan 8.290 nan 0.000 0.521 49 K N -0.729 119.605 120.400 -0.109 0.000 2.760 49 K HA 0.639 4.959 4.320 -0.000 0.000 0.285 49 K C 1.927 178.519 176.600 -0.014 0.000 1.016 49 K CA -0.004 56.243 56.287 -0.067 0.000 1.087 49 K CB -0.333 32.102 32.500 -0.109 0.000 1.427 49 K HN 0.078 nan 8.250 nan 0.000 0.524 50 V N 0.787 120.721 119.914 0.032 0.000 2.379 50 V HA -0.025 4.095 4.120 -0.000 0.000 0.243 50 V C 1.374 177.511 176.094 0.071 0.000 1.035 50 V CA 0.957 63.293 62.300 0.059 0.000 1.035 50 V CB -0.276 31.600 31.823 0.088 0.000 0.673 50 V HN 0.448 nan 8.190 nan 0.000 0.457 51 I N 2.650 123.286 120.570 0.111 0.000 2.624 51 I HA 0.099 4.269 4.170 -0.000 0.000 0.307 51 I C 0.356 176.557 176.117 0.139 0.000 1.191 51 I CA 0.776 62.165 61.300 0.148 0.000 1.708 51 I CB -0.838 37.306 38.000 0.239 0.000 1.521 51 I HN 0.262 nan 8.210 nan 0.000 0.805 52 R N 2.518 123.067 120.500 0.083 0.000 2.740 52 R HA 0.250 4.590 4.340 -0.000 0.000 0.273 52 R C -0.835 175.493 176.300 0.047 0.000 0.998 52 R CA -1.183 54.954 56.100 0.063 0.000 0.900 52 R CB 1.796 32.115 30.300 0.032 0.000 1.223 52 R HN 0.255 nan 8.270 nan 0.000 0.466 53 D N 0.474 120.898 120.400 0.040 0.000 2.662 53 D HA 0.009 4.649 4.640 -0.000 0.000 0.233 53 D C 1.203 177.517 176.300 0.023 0.000 1.129 53 D CA 2.550 56.567 54.000 0.029 0.000 0.851 53 D CB 0.372 41.185 40.800 0.023 0.000 1.152 53 D HN 0.697 nan 8.370 nan 0.000 0.507 54 G N 2.781 111.594 108.800 0.022 0.000 2.234 54 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 54 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 54 G C 0.851 175.765 174.900 0.022 0.000 0.987 54 G CA 0.975 46.087 45.100 0.019 0.000 0.625 54 G HN 0.526 nan 8.290 nan 0.000 0.532 55 M N -0.786 118.830 119.600 0.027 0.000 2.151 55 M HA 0.436 4.916 4.480 -0.000 0.000 0.149 55 M C 2.433 178.755 176.300 0.036 0.000 1.464 55 M CA 1.071 56.389 55.300 0.030 0.000 1.299 55 M CB -0.278 32.341 32.600 0.031 0.000 0.782 55 M HN 0.136 nan 8.290 nan 0.000 0.486 56 G N 0.143 108.970 108.800 0.046 0.000 2.920 56 G HA2 0.023 3.983 3.960 -0.000 0.000 0.208 56 G HA3 0.023 3.983 3.960 -0.000 0.000 0.208 56 G C 0.234 175.165 174.900 0.051 0.000 1.159 56 G CA 0.028 45.160 45.100 0.053 0.000 0.784 56 G HN 0.446 nan 8.290 nan 0.000 0.535 57 Q N -0.163 119.664 119.800 0.045 0.000 2.356 57 Q HA 0.580 4.920 4.340 -0.000 0.000 0.270 57 Q C -0.053 175.962 176.000 0.026 0.000 1.058 57 Q CA -0.735 55.090 55.803 0.037 0.000 0.802 57 Q CB 1.894 30.659 28.738 0.045 0.000 1.303 57 Q HN 0.126 nan 8.270 nan 0.000 0.444 58 G N 1.025 109.836 108.800 0.017 0.000 2.671 58 G HA2 0.181 4.141 3.960 -0.000 0.000 0.275 58 G HA3 0.181 4.141 3.960 -0.000 0.000 0.275 58 G C -0.055 174.850 174.900 0.007 0.000 1.368 58 G CA -0.221 44.886 45.100 0.013 0.000 1.044 58 G HN 0.642 nan 8.290 nan 0.000 0.543 59 Q N -0.041 119.762 119.800 0.005 0.000 2.247 59 Q HA 0.107 4.447 4.340 -0.000 0.000 0.204 59 Q C 1.103 177.102 176.000 -0.002 0.000 0.872 59 Q CA -0.262 55.542 55.803 0.002 0.000 0.951 59 Q CB 0.160 28.901 28.738 0.004 0.000 1.099 59 Q HN 0.650 nan 8.270 nan 0.000 0.501 60 M N -0.562 119.036 119.600 -0.004 0.000 2.245 60 M HA 0.238 4.718 4.480 -0.000 0.000 0.330 60 M C 0.099 176.389 176.300 -0.016 0.000 1.098 60 M CA 0.026 55.321 55.300 -0.009 0.000 1.172 60 M CB 0.287 32.881 32.600 -0.010 0.000 1.467 60 M HN -0.098 nan 8.290 nan 0.000 0.454 61 L N 1.934 123.146 121.223 -0.017 0.000 2.475 61 L HA 0.257 4.597 4.340 -0.000 0.000 0.250 61 L C 1.924 178.773 176.870 -0.034 0.000 1.224 61 L CA -0.105 54.722 54.840 -0.022 0.000 0.821 61 L CB 0.230 42.279 42.059 -0.016 0.000 1.141 61 L HN 1.017 nan 8.230 nan 0.000 0.494 62 A N 0.971 123.768 122.820 -0.038 0.000 1.908 62 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 62 A C 2.230 179.776 177.584 -0.064 0.000 1.181 62 A CA 1.911 53.917 52.037 -0.052 0.000 0.627 62 A CB -0.908 18.064 19.000 -0.047 0.000 0.818 62 A HN 0.880 nan 8.150 nan 0.000 0.445 63 A N -0.764 122.028 122.820 -0.045 0.000 2.125 63 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 63 A C 1.331 178.884 177.584 -0.053 0.000 1.156 63 A CA 1.624 53.635 52.037 -0.043 0.000 0.671 63 A CB -0.304 18.685 19.000 -0.018 0.000 0.794 63 A HN 0.482 nan 8.150 nan 0.000 0.459 64 D N -1.084 119.285 120.400 -0.052 0.000 2.363 64 D HA 0.181 4.821 4.640 -0.000 0.000 0.214 64 D C 0.356 176.608 176.300 -0.080 0.000 1.093 64 D CA 0.629 54.603 54.000 -0.045 0.000 0.837 64 D CB 0.029 40.820 40.800 -0.015 0.000 0.948 64 D HN 0.625 nan 8.370 nan 0.000 0.507 65 C N -1.058 118.161 119.300 -0.135 0.000 3.236 65 C HA 0.783 5.243 4.460 -0.000 0.000 0.312 65 C C 0.332 175.157 174.990 -0.276 0.000 1.374 65 C CA -1.186 57.732 59.018 -0.167 0.000 1.455 65 C CB 1.109 28.793 27.740 -0.093 0.000 1.834 65 C HN -0.002 nan 8.230 nan 0.000 0.460 66 V N -0.156 119.585 119.914 -0.289 0.000 2.953 66 V HA 0.421 4.541 4.120 -0.000 0.000 0.304 66 V C 0.433 176.428 176.094 -0.164 0.000 1.073 66 V CA 0.353 62.468 62.300 -0.307 0.000 1.064 66 V CB 0.691 32.374 31.823 -0.233 0.000 1.047 66 V HN 0.903 nan 8.190 nan 0.000 0.478 67 D N 0.781 121.102 120.400 -0.131 0.000 2.213 67 D HA 0.174 4.814 4.640 -0.000 0.000 0.205 67 D C 0.189 176.449 176.300 -0.067 0.000 0.961 67 D CA 1.113 55.061 54.000 -0.086 0.000 0.853 67 D CB 0.622 41.383 40.800 -0.066 0.000 0.967 67 D HN 0.485 nan 8.370 nan 0.000 0.496 68 L N 0.254 121.447 121.223 -0.050 0.000 2.455 68 L HA 0.486 4.826 4.340 -0.000 0.000 0.264 68 L C -1.653 175.213 176.870 -0.007 0.000 0.968 68 L CA -0.865 53.956 54.840 -0.031 0.000 0.827 68 L CB 2.574 44.625 42.059 -0.012 0.000 1.317 68 L HN -0.280 nan 8.230 nan 0.000 0.407 69 V N 5.841 125.751 119.914 -0.006 0.000 2.588 69 V HA 0.616 4.736 4.120 -0.000 0.000 0.304 69 V C -1.317 174.796 176.094 0.032 0.000 1.042 69 V CA -0.473 61.843 62.300 0.025 0.000 0.877 69 V CB 2.002 33.841 31.823 0.027 0.000 0.996 69 V HN 0.720 nan 8.190 nan 0.000 0.425 70 L N 6.530 127.788 121.223 0.060 0.000 2.277 70 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 70 L C 0.669 177.589 176.870 0.085 0.000 1.028 70 L CA 0.093 54.974 54.840 0.067 0.000 0.835 70 L CB 1.657 43.763 42.059 0.079 0.000 1.215 70 L HN 0.853 nan 8.230 nan 0.000 0.425 71 T N -0.154 114.452 114.554 0.086 0.000 2.869 71 T HA 0.243 4.593 4.350 -0.000 0.000 0.295 71 T C 0.566 175.340 174.700 0.124 0.000 0.987 71 T CA -0.675 61.489 62.100 0.107 0.000 1.109 71 T CB 0.438 69.378 68.868 0.120 0.000 0.932 71 T HN 0.602 nan 8.240 nan 0.000 0.518 72 N N 0.239 119.021 118.700 0.136 0.000 2.688 72 N HA -0.154 4.586 4.740 -0.000 0.000 0.258 72 N C -0.147 175.447 175.510 0.140 0.000 1.016 72 N CA 0.850 53.993 53.050 0.156 0.000 0.747 72 N CB -1.617 36.992 38.487 0.204 0.000 0.895 72 N HN 1.119 nan 8.380 nan 0.000 0.543 73 A N 0.271 123.168 122.820 0.129 0.000 2.309 73 A HA 0.577 4.897 4.320 -0.000 0.000 0.298 73 A C 0.369 178.024 177.584 0.118 0.000 1.165 73 A CA -0.638 51.474 52.037 0.124 0.000 0.821 73 A CB 0.911 19.986 19.000 0.126 0.000 1.102 73 A HN 0.324 nan 8.150 nan 0.000 0.500 74 L N 4.457 125.743 121.223 0.106 0.000 2.282 74 L HA 0.438 4.778 4.340 -0.000 0.000 0.287 74 L C -0.463 176.440 176.870 0.056 0.000 1.075 74 L CA -0.110 54.774 54.840 0.073 0.000 0.839 74 L CB -0.356 41.733 42.059 0.050 0.000 1.219 74 L HN 0.557 nan 8.230 nan 0.000 0.434 75 I N 5.261 125.856 120.570 0.041 0.000 2.441 75 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 75 I C -0.364 175.677 176.117 -0.127 0.000 1.049 75 I CA -0.418 60.882 61.300 -0.000 0.000 1.381 75 I CB 1.187 39.202 38.000 0.025 0.000 1.409 75 I HN 0.232 nan 8.210 nan 0.000 0.523 76 V N 5.838 125.688 119.914 -0.108 0.000 2.376 76 V HA 0.428 4.548 4.120 -0.000 0.000 0.287 76 V C -0.587 175.402 176.094 -0.176 0.000 1.015 76 V CA -0.303 61.900 62.300 -0.161 0.000 0.834 76 V CB 1.533 33.290 31.823 -0.110 0.000 1.001 76 V HN 0.701 nan 8.190 nan 0.000 0.428 77 D N 0.840 120.991 120.400 -0.415 0.000 2.664 77 D HA 0.301 4.941 4.640 -0.000 0.000 0.292 77 D C 0.846 176.897 176.300 -0.416 0.000 1.214 77 D CA -0.363 53.373 54.000 -0.440 0.000 0.932 77 D CB 1.454 41.780 40.800 -0.789 0.000 1.420 77 D HN 0.671 nan 8.370 nan 0.000 0.471 78 H N -0.255 118.718 119.070 -0.161 0.000 2.456 78 H HA -0.048 4.508 4.556 -0.000 0.000 0.296 78 H C 1.513 176.928 175.328 0.146 0.000 1.079 78 H CA 1.849 57.923 56.048 0.043 0.000 1.322 78 H CB -0.362 29.446 29.762 0.076 0.000 1.388 78 H HN 0.499 nan 8.280 nan 0.000 0.538 79 W N 0.815 121.937 121.300 -0.296 0.000 2.863 79 W HA 0.549 5.209 4.660 -0.000 0.000 0.258 79 W C -0.054 176.472 176.519 0.012 0.000 1.298 79 W CA 0.286 57.574 57.345 -0.095 0.000 1.451 79 W CB 0.016 29.339 29.460 -0.229 0.000 1.107 79 W HN 0.394 nan 8.180 nan 0.000 0.641 80 G N 0.728 109.253 108.800 -0.457 0.000 2.368 80 G HA2 0.438 4.398 3.960 -0.000 0.000 0.293 80 G HA3 0.438 4.398 3.960 -0.000 0.000 0.293 80 G C -1.993 172.641 174.900 -0.443 0.000 1.467 80 G CA -1.039 43.898 45.100 -0.271 0.000 0.804 80 G HN 0.040 nan 8.290 nan 0.000 0.535 81 I N 1.563 122.016 120.570 -0.196 0.000 2.668 81 I HA 0.400 4.570 4.170 -0.000 0.000 0.276 81 I C 0.105 176.185 176.117 -0.062 0.000 1.139 81 I CA -0.811 60.395 61.300 -0.156 0.000 1.133 81 I CB 1.321 39.261 38.000 -0.101 0.000 1.327 81 I HN 0.530 nan 8.210 nan 0.000 0.520 82 V N 1.596 121.481 119.914 -0.048 0.000 2.960 82 V HA 0.668 4.788 4.120 -0.000 0.000 0.315 82 V C -0.516 175.623 176.094 0.074 0.000 1.087 82 V CA -1.035 61.297 62.300 0.054 0.000 0.982 82 V CB 2.161 34.073 31.823 0.149 0.000 1.039 82 V HN 0.469 nan 8.190 nan 0.000 0.437 83 K N 1.913 122.369 120.400 0.093 0.000 2.211 83 K HA 0.888 5.208 4.320 -0.000 0.000 0.275 83 K C -0.456 176.210 176.600 0.110 0.000 1.024 83 K CA 0.665 57.017 56.287 0.107 0.000 0.887 83 K CB 0.931 33.505 32.500 0.123 0.000 1.084 83 K HN 1.592 nan 8.250 nan 0.000 0.463 84 A N 3.188 126.080 122.820 0.119 0.000 2.544 84 A HA 0.413 4.733 4.320 -0.000 0.000 0.291 84 A C -1.730 175.924 177.584 0.116 0.000 1.055 84 A CA -0.956 51.148 52.037 0.111 0.000 0.651 84 A CB 0.775 19.853 19.000 0.129 0.000 1.296 84 A HN 0.664 nan 8.150 nan 0.000 0.431 85 D N 0.316 120.778 120.400 0.104 0.000 2.253 85 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 85 D C -0.616 175.754 176.300 0.116 0.000 1.049 85 D CA 0.309 54.373 54.000 0.105 0.000 0.929 85 D CB 1.444 42.300 40.800 0.092 0.000 1.176 85 D HN 0.426 nan 8.370 nan 0.000 0.437 86 I N 0.795 121.436 120.570 0.118 0.000 2.418 86 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 86 I C 0.615 176.809 176.117 0.129 0.000 1.008 86 I CA -0.757 60.621 61.300 0.130 0.000 1.104 86 I CB 2.077 40.158 38.000 0.135 0.000 1.264 86 I HN 0.190 nan 8.210 nan 0.000 0.438 87 G N 5.502 114.403 108.800 0.169 0.000 2.343 87 G HA2 0.616 4.576 3.960 -0.000 0.000 0.319 87 G HA3 0.616 4.576 3.960 -0.000 0.000 0.319 87 G C -0.936 174.088 174.900 0.206 0.000 1.126 87 G CA -0.342 44.871 45.100 0.188 0.000 0.889 87 G HN 0.333 nan 8.290 nan 0.000 0.457 88 V N 2.069 122.051 119.914 0.114 0.000 2.540 88 V HA 0.616 4.736 4.120 -0.000 0.000 0.302 88 V C -0.099 176.012 176.094 0.029 0.000 1.035 88 V CA -0.814 61.550 62.300 0.106 0.000 0.873 88 V CB 1.827 33.696 31.823 0.076 0.000 0.992 88 V HN 0.800 nan 8.190 nan 0.000 0.428 89 K N 2.829 123.263 120.400 0.057 0.000 2.482 89 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 89 K C -0.670 175.958 176.600 0.045 0.000 0.936 89 K CA -0.492 55.780 56.287 -0.024 0.000 0.791 89 K CB 1.427 33.825 32.500 -0.171 0.000 1.213 89 K HN 0.687 nan 8.250 nan 0.000 0.428 90 D N 2.824 123.241 120.400 0.028 0.000 2.945 90 D HA -0.185 4.455 4.640 -0.000 0.000 0.225 90 D C 0.576 176.929 176.300 0.088 0.000 1.158 90 D CA 1.848 55.886 54.000 0.063 0.000 0.805 90 D CB -1.119 39.722 40.800 0.068 0.000 1.098 90 D HN 1.095 nan 8.370 nan 0.000 0.426 91 G N -0.577 108.271 108.800 0.080 0.000 2.162 91 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 91 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 91 G C 0.313 175.262 174.900 0.082 0.000 0.976 91 G CA 0.668 45.820 45.100 0.086 0.000 0.655 91 G HN 0.498 nan 8.290 nan 0.000 0.533 92 R N -0.750 119.806 120.500 0.093 0.000 2.854 92 R HA 0.625 4.965 4.340 -0.000 0.000 0.271 92 R C 0.106 176.486 176.300 0.133 0.000 0.996 92 R CA -1.160 55.002 56.100 0.104 0.000 0.961 92 R CB 1.425 31.785 30.300 0.101 0.000 1.182 92 R HN 0.177 nan 8.270 nan 0.000 0.479 93 I N 2.204 122.849 120.570 0.126 0.000 2.587 93 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 93 I C 1.007 177.223 176.117 0.165 0.000 1.134 93 I CA 0.355 61.739 61.300 0.140 0.000 1.410 93 I CB 0.274 38.342 38.000 0.112 0.000 1.392 93 I HN 0.599 nan 8.210 nan 0.000 0.545 94 F N 6.765 126.735 119.950 0.034 0.000 2.315 94 F HA 0.504 5.031 4.527 -0.000 0.000 0.284 94 F C 0.909 176.718 175.800 0.016 0.000 1.049 94 F CA 0.610 58.624 58.000 0.023 0.000 1.323 94 F CB 0.325 39.339 39.000 0.023 0.000 1.113 94 F HN 0.453 nan 8.300 nan 0.000 0.544 95 A N -0.129 122.712 122.820 0.035 0.000 2.610 95 A HA 0.642 4.962 4.320 -0.000 0.000 0.291 95 A C -1.654 175.955 177.584 0.041 0.000 1.086 95 A CA -0.563 51.422 52.037 -0.086 0.000 0.677 95 A CB 0.698 19.614 19.000 -0.141 0.000 1.278 95 A HN 0.104 nan 8.150 nan 0.000 0.414 96 I N 1.294 121.864 120.570 0.001 0.000 2.493 96 I HA 0.602 4.772 4.170 -0.000 0.000 0.279 96 I C 0.570 176.707 176.117 0.034 0.000 1.045 96 I CA 0.136 61.467 61.300 0.051 0.000 1.106 96 I CB 1.462 39.490 38.000 0.046 0.000 1.216 96 I HN 1.036 nan 8.210 nan 0.000 0.459 97 G N 5.080 113.915 108.800 0.058 0.000 2.929 97 G HA2 0.250 4.210 3.960 -0.000 0.000 0.123 97 G HA3 0.250 4.210 3.960 -0.000 0.000 0.123 97 G C -1.433 173.496 174.900 0.048 0.000 1.212 97 G CA -0.309 44.815 45.100 0.041 0.000 1.238 97 G HN 0.236 nan 8.290 nan 0.000 0.617 98 K N 1.197 121.621 120.400 0.040 0.000 2.425 98 K HA 0.702 5.022 4.320 -0.000 0.000 0.259 98 K C -0.422 176.209 176.600 0.051 0.000 0.978 98 K CA -0.340 55.967 56.287 0.034 0.000 0.883 98 K CB 1.113 33.619 32.500 0.009 0.000 1.110 98 K HN 0.707 nan 8.250 nan 0.000 0.436 99 A N 2.512 125.368 122.820 0.060 0.000 2.302 99 A HA 0.834 5.154 4.320 -0.000 0.000 0.285 99 A C 0.308 177.924 177.584 0.054 0.000 1.105 99 A CA 0.374 52.450 52.037 0.065 0.000 0.816 99 A CB 0.861 19.904 19.000 0.072 0.000 1.067 99 A HN 0.891 nan 8.150 nan 0.000 0.489 100 G N 0.313 109.143 108.800 0.050 0.000 2.351 100 G HA2 0.289 4.249 3.960 -0.000 0.000 0.279 100 G HA3 0.289 4.249 3.960 -0.000 0.000 0.279 100 G C -1.559 173.363 174.900 0.037 0.000 1.297 100 G CA -0.449 44.678 45.100 0.044 0.000 0.886 100 G HN 0.962 nan 8.290 nan 0.000 0.493 101 N N 0.889 119.609 118.700 0.034 0.000 2.469 101 N HA 0.572 5.312 4.740 -0.000 0.000 0.253 101 N C -1.621 173.904 175.510 0.025 0.000 0.970 101 N CA -2.332 50.735 53.050 0.028 0.000 0.940 101 N CB 2.291 40.794 38.487 0.028 0.000 1.128 101 N HN 0.014 nan 8.380 nan 0.000 0.503 102 P HA -0.039 nan 4.420 nan 0.000 0.222 102 P C 0.342 177.653 177.300 0.019 0.000 1.147 102 P CA 0.807 63.921 63.100 0.023 0.000 0.790 102 P CB 0.459 32.173 31.700 0.024 0.000 0.780 103 D N -0.617 119.794 120.400 0.018 0.000 2.144 103 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 103 D C 1.646 177.956 176.300 0.016 0.000 0.984 103 D CA 1.246 55.256 54.000 0.016 0.000 0.834 103 D CB -0.090 40.719 40.800 0.015 0.000 0.955 103 D HN 0.357 nan 8.370 nan 0.000 0.465 104 I N -3.654 116.927 120.570 0.018 0.000 4.442 104 I HA 0.248 4.418 4.170 -0.000 0.000 0.331 104 I C -0.107 176.021 176.117 0.019 0.000 1.364 104 I CA -0.426 60.885 61.300 0.018 0.000 1.207 104 I CB 0.452 38.464 38.000 0.019 0.000 1.298 104 I HN -0.322 nan 8.210 nan 0.000 0.463 105 Q N 3.260 123.072 119.800 0.019 0.000 2.345 105 Q HA 0.569 4.909 4.340 -0.000 0.000 0.268 105 Q C -2.599 173.409 176.000 0.014 0.000 1.054 105 Q CA -2.016 53.797 55.803 0.018 0.000 0.835 105 Q CB 2.304 31.055 28.738 0.021 0.000 1.339 105 Q HN 0.089 nan 8.270 nan 0.000 0.447 106 P HA 0.138 nan 4.420 nan 0.000 0.282 106 P C -1.001 176.301 177.300 0.003 0.000 1.259 106 P CA -0.237 62.866 63.100 0.006 0.000 0.826 106 P CB 0.582 32.284 31.700 0.002 0.000 1.064 107 N N -1.765 116.936 118.700 0.002 0.000 2.710 107 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 107 N C -0.390 175.125 175.510 0.008 0.000 1.059 107 N CA 0.228 53.278 53.050 0.000 0.000 0.720 107 N CB -1.646 36.833 38.487 -0.013 0.000 0.983 107 N HN 0.159 nan 8.380 nan 0.000 0.544 108 V N 0.853 120.777 119.914 0.018 0.000 2.427 108 V HA 0.137 4.257 4.120 -0.000 0.000 0.268 108 V C 1.677 177.797 176.094 0.043 0.000 1.046 108 V CA 0.876 63.194 62.300 0.031 0.000 0.970 108 V CB 1.141 32.985 31.823 0.034 0.000 1.001 108 V HN 0.522 nan 8.190 nan 0.000 0.476 109 T N 1.823 116.409 114.554 0.053 0.000 2.990 109 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 109 T C 0.375 175.160 174.700 0.141 0.000 1.041 109 T CA 0.223 62.365 62.100 0.069 0.000 1.010 109 T CB 0.125 69.014 68.868 0.034 0.000 1.003 109 T HN 0.351 nan 8.240 nan 0.000 0.499 110 I N 3.960 124.612 120.570 0.137 0.000 2.502 110 I HA 0.353 4.523 4.170 -0.000 0.000 0.276 110 I C -2.662 173.515 176.117 0.100 0.000 1.057 110 I CA -2.729 58.681 61.300 0.184 0.000 1.163 110 I CB 1.845 39.947 38.000 0.170 0.000 1.288 110 I HN -0.042 nan 8.210 nan 0.000 0.479 111 P HA 0.192 nan 4.420 nan 0.000 0.271 111 P C -0.496 176.799 177.300 -0.008 0.000 1.226 111 P CA 0.210 63.326 63.100 0.027 0.000 0.765 111 P CB 1.129 32.841 31.700 0.020 0.000 0.835 112 I N 2.924 123.497 120.570 0.004 0.000 2.339 112 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 112 I C 1.101 177.214 176.117 -0.007 0.000 0.994 112 I CA -0.128 61.170 61.300 -0.004 0.000 1.191 112 I CB 1.667 39.678 38.000 0.019 0.000 1.343 112 I HN 0.412 nan 8.210 nan 0.000 0.458 113 G N 3.104 111.890 108.800 -0.023 0.000 3.211 113 G HA2 0.554 4.514 3.960 -0.000 0.000 0.262 113 G HA3 0.554 4.514 3.960 -0.000 0.000 0.262 113 G C 0.665 175.553 174.900 -0.020 0.000 1.352 113 G CA 0.043 45.132 45.100 -0.018 0.000 1.004 113 G HN 0.594 nan 8.290 nan 0.000 0.559 114 A N -0.753 122.056 122.820 -0.018 0.000 1.978 114 A HA 0.236 4.556 4.320 -0.000 0.000 0.220 114 A C 2.362 179.925 177.584 -0.034 0.000 1.170 114 A CA 2.491 54.517 52.037 -0.019 0.000 0.636 114 A CB -0.670 18.321 19.000 -0.016 0.000 0.810 114 A HN 1.455 nan 8.150 nan 0.000 0.448 115 A N -0.706 122.088 122.820 -0.043 0.000 2.259 115 A HA 0.329 4.649 4.320 -0.000 0.000 0.208 115 A C 0.727 178.271 177.584 -0.066 0.000 1.201 115 A CA 0.634 52.638 52.037 -0.055 0.000 0.824 115 A CB -0.574 18.391 19.000 -0.058 0.000 0.838 115 A HN 0.285 nan 8.150 nan 0.000 0.485 116 T N 0.936 115.452 114.554 -0.063 0.000 2.744 116 T HA 0.417 4.767 4.350 -0.000 0.000 0.291 116 T C -0.271 174.376 174.700 -0.088 0.000 0.957 116 T CA -0.347 61.710 62.100 -0.071 0.000 1.002 116 T CB 1.444 70.278 68.868 -0.058 0.000 0.919 116 T HN 0.449 nan 8.240 nan 0.000 0.468 117 E N 2.515 122.657 120.200 -0.097 0.000 2.319 117 E HA 0.500 4.850 4.350 -0.000 0.000 0.268 117 E C -1.155 175.361 176.600 -0.140 0.000 1.050 117 E CA -0.617 55.705 56.400 -0.131 0.000 0.878 117 E CB 0.855 30.489 29.700 -0.110 0.000 1.066 117 E HN 0.327 nan 8.360 nan 0.000 0.406 118 V N 4.792 124.573 119.914 -0.221 0.000 2.588 118 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 118 V C -0.261 175.732 176.094 -0.169 0.000 1.042 118 V CA -0.673 61.508 62.300 -0.199 0.000 0.877 118 V CB 1.563 33.211 31.823 -0.291 0.000 0.996 118 V HN 0.665 nan 8.190 nan 0.000 0.425 119 I N 3.446 123.975 120.570 -0.069 0.000 2.418 119 I HA 0.617 4.787 4.170 -0.000 0.000 0.287 119 I C 0.325 176.452 176.117 0.017 0.000 1.008 119 I CA -0.670 60.613 61.300 -0.028 0.000 1.104 119 I CB 1.935 39.930 38.000 -0.008 0.000 1.264 119 I HN 0.712 nan 8.210 nan 0.000 0.438 120 A N 4.996 127.839 122.820 0.039 0.000 2.343 120 A HA 0.618 4.938 4.320 -0.000 0.000 0.305 120 A C 0.739 178.364 177.584 0.068 0.000 1.308 120 A CA -0.162 51.919 52.037 0.073 0.000 0.949 120 A CB 0.480 19.538 19.000 0.097 0.000 1.148 120 A HN 0.890 nan 8.150 nan 0.000 0.545 121 A N 2.760 125.629 122.820 0.081 0.000 2.348 121 A HA 0.243 4.563 4.320 -0.000 0.000 0.224 121 A C 0.773 178.415 177.584 0.096 0.000 1.227 121 A CA -0.137 51.953 52.037 0.088 0.000 0.885 121 A CB -0.163 18.896 19.000 0.097 0.000 0.933 121 A HN 0.831 nan 8.150 nan 0.000 0.506 122 E N 0.239 120.495 120.200 0.093 0.000 2.493 122 E HA 0.235 4.585 4.350 -0.000 0.000 0.255 122 E C 0.819 177.461 176.600 0.070 0.000 0.999 122 E CA 0.654 57.109 56.400 0.091 0.000 0.934 122 E CB -0.075 29.665 29.700 0.068 0.000 0.940 122 E HN 0.968 nan 8.360 nan 0.000 0.473 123 G N 2.911 111.761 108.800 0.083 0.000 2.157 123 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 123 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 123 G C -0.044 174.910 174.900 0.089 0.000 0.979 123 G CA 0.387 45.531 45.100 0.074 0.000 0.650 123 G HN 0.500 nan 8.290 nan 0.000 0.529 124 K N -0.255 120.208 120.400 0.106 0.000 2.295 124 K HA 0.748 5.068 4.320 -0.000 0.000 0.239 124 K C -0.030 176.659 176.600 0.148 0.000 0.991 124 K CA -0.875 55.496 56.287 0.139 0.000 0.845 124 K CB 2.030 34.614 32.500 0.139 0.000 1.197 124 K HN 0.194 nan 8.250 nan 0.000 0.441 125 I N 1.554 122.252 120.570 0.214 0.000 2.377 125 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 125 I C -0.470 175.868 176.117 0.368 0.000 0.987 125 I CA -1.110 60.319 61.300 0.214 0.000 1.185 125 I CB 1.828 39.900 38.000 0.120 0.000 1.341 125 I HN 0.009 nan 8.210 nan 0.000 0.455 126 V N 4.973 125.053 119.914 0.276 0.000 2.459 126 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 126 V C 0.189 176.470 176.094 0.312 0.000 1.029 126 V CA -0.351 62.121 62.300 0.286 0.000 0.874 126 V CB 1.843 33.778 31.823 0.187 0.000 0.985 126 V HN 0.908 nan 8.190 nan 0.000 0.438 127 T N 1.798 116.594 114.554 0.402 0.000 2.887 127 T HA 0.881 5.231 4.350 -0.000 0.000 0.292 127 T C -0.080 174.811 174.700 0.319 0.000 1.087 127 T CA -0.300 62.036 62.100 0.394 0.000 1.009 127 T CB 1.989 71.224 68.868 0.610 0.000 1.203 127 T HN 0.955 nan 8.240 nan 0.000 0.518 128 A N 0.217 123.212 122.820 0.291 0.000 2.296 128 A HA 0.737 5.057 4.320 -0.000 0.000 0.264 128 A C 0.901 178.651 177.584 0.277 0.000 1.097 128 A CA -0.234 51.953 52.037 0.251 0.000 0.811 128 A CB -0.592 18.549 19.000 0.235 0.000 1.072 128 A HN 1.382 nan 8.150 nan 0.000 0.495 129 G N -0.517 108.416 108.800 0.222 0.000 2.403 129 G HA2 0.483 4.443 3.960 -0.000 0.000 0.259 129 G HA3 0.483 4.443 3.960 -0.000 0.000 0.259 129 G C 0.523 175.580 174.900 0.262 0.000 1.244 129 G CA 0.216 45.444 45.100 0.214 0.000 0.849 129 G HN 1.114 nan 8.290 nan 0.000 0.532 130 G N -0.131 108.849 108.800 0.301 0.000 2.614 130 G HA2 0.421 4.381 3.960 -0.000 0.000 0.239 130 G HA3 0.421 4.381 3.960 -0.000 0.000 0.239 130 G C -0.217 174.819 174.900 0.226 0.000 1.240 130 G CA -0.428 44.881 45.100 0.350 0.000 0.842 130 G HN 0.657 nan 8.290 nan 0.000 0.584 131 I N 1.026 121.728 120.570 0.219 0.000 2.476 131 I HA 0.159 4.329 4.170 -0.000 0.000 0.281 131 I C -1.209 174.975 176.117 0.111 0.000 1.040 131 I CA -0.710 60.676 61.300 0.144 0.000 1.094 131 I CB 2.025 40.100 38.000 0.124 0.000 1.219 131 I HN 0.300 nan 8.210 nan 0.000 0.450 132 D N 4.589 125.028 120.400 0.065 0.000 2.317 132 D HA 0.195 4.835 4.640 -0.000 0.000 0.234 132 D C 0.924 177.224 176.300 0.000 0.000 1.112 132 D CA -0.158 53.858 54.000 0.027 0.000 0.840 132 D CB 1.501 42.288 40.800 -0.022 0.000 1.078 132 D HN 0.603 nan 8.370 nan 0.000 0.486 133 T N 0.307 114.879 114.554 0.031 0.000 3.206 133 T HA 0.107 4.457 4.350 -0.000 0.000 0.253 133 T C 0.604 175.305 174.700 0.001 0.000 1.042 133 T CA -0.111 61.983 62.100 -0.010 0.000 0.931 133 T CB -0.447 68.461 68.868 0.066 0.000 1.029 133 T HN 0.499 nan 8.240 nan 0.000 0.564 134 H N 0.600 119.545 119.070 -0.208 0.000 2.616 134 H HA 0.441 4.997 4.556 -0.000 0.000 0.229 134 H C -0.819 174.313 175.328 -0.326 0.000 1.418 134 H CA -0.926 54.855 56.048 -0.445 0.000 1.248 134 H CB -0.059 29.271 29.762 -0.720 0.000 1.822 134 H HN 0.192 nan 8.280 nan 0.000 0.522 135 I N 2.126 122.589 120.570 -0.178 0.000 2.353 135 I HA 0.135 4.305 4.170 -0.000 0.000 0.293 135 I C 0.263 176.139 176.117 -0.402 0.000 0.992 135 I CA -0.265 60.817 61.300 -0.363 0.000 1.268 135 I CB 1.070 38.624 38.000 -0.743 0.000 1.387 135 I HN 0.543 nan 8.210 nan 0.000 0.478 136 H N 5.485 124.374 119.070 -0.302 0.000 2.597 136 H HA 0.135 4.690 4.556 -0.000 0.000 0.303 136 H C -0.805 174.428 175.328 -0.158 0.000 1.057 136 H CA -0.349 55.617 56.048 -0.137 0.000 1.261 136 H CB 0.717 30.461 29.762 -0.031 0.000 1.397 136 H HN 0.556 nan 8.280 nan 0.000 0.461 137 W N 5.506 126.884 121.300 0.130 0.000 1.564 137 W HA 0.141 4.800 4.660 -0.000 0.000 0.480 137 W C 0.986 177.556 176.519 0.085 0.000 0.699 137 W CA -0.297 57.101 57.345 0.089 0.000 1.985 137 W CB -0.239 29.256 29.460 0.058 0.000 1.738 137 W HN 0.634 nan 8.180 nan 0.000 0.218 138 I N 1.352 122.092 120.570 0.283 0.000 2.584 138 I HA -0.054 4.116 4.170 -0.000 0.000 0.255 138 I C 1.030 177.261 176.117 0.190 0.000 1.145 138 I CA 0.599 62.025 61.300 0.210 0.000 1.462 138 I CB -0.073 38.041 38.000 0.190 0.000 1.102 138 I HN 0.248 nan 8.210 nan 0.000 0.433 139 C N -2.208 117.223 119.300 0.218 0.000 3.171 139 C HA 0.377 4.837 4.460 -0.000 0.000 0.336 139 C C -1.938 173.187 174.990 0.225 0.000 1.198 139 C CA -1.359 57.764 59.018 0.176 0.000 1.319 139 C CB 1.255 29.066 27.740 0.118 0.000 1.682 139 C HN -0.051 nan 8.230 nan 0.000 0.497 140 P HA -0.088 nan 4.420 nan 0.000 0.223 140 P C 1.095 178.486 177.300 0.151 0.000 1.151 140 P CA 1.581 64.767 63.100 0.143 0.000 0.787 140 P CB 0.226 31.958 31.700 0.054 0.000 0.788 141 Q N 0.149 120.018 119.800 0.115 0.000 2.297 141 Q HA -0.145 4.195 4.340 -0.000 0.000 0.208 141 Q C 2.372 178.429 176.000 0.096 0.000 0.981 141 Q CA 1.310 57.165 55.803 0.087 0.000 0.876 141 Q CB -0.850 27.923 28.738 0.058 0.000 0.921 141 Q HN 0.449 nan 8.270 nan 0.000 0.446 142 Q N -0.630 119.252 119.800 0.136 0.000 2.170 142 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 142 Q C 1.997 178.071 176.000 0.123 0.000 0.976 142 Q CA 1.145 57.012 55.803 0.105 0.000 0.858 142 Q CB -0.180 28.613 28.738 0.092 0.000 0.907 142 Q HN 0.497 nan 8.270 nan 0.000 0.433 143 A N 1.128 124.078 122.820 0.216 0.000 1.902 143 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 143 A C 1.881 179.527 177.584 0.104 0.000 1.181 143 A CA 1.713 53.872 52.037 0.203 0.000 0.623 143 A CB -0.482 18.659 19.000 0.235 0.000 0.818 143 A HN 0.435 nan 8.150 nan 0.000 0.443 144 E N -0.708 119.538 120.200 0.077 0.000 2.107 144 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 144 E C 1.939 178.544 176.600 0.008 0.000 0.982 144 E CA 1.234 57.658 56.400 0.040 0.000 0.809 144 E CB -0.081 29.643 29.700 0.041 0.000 0.756 144 E HN 0.561 nan 8.360 nan 0.000 0.459 145 E N 0.403 120.609 120.200 0.010 0.000 2.051 145 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 145 E C 1.745 178.324 176.600 -0.035 0.000 0.991 145 E CA 1.534 57.922 56.400 -0.020 0.000 0.799 145 E CB -0.314 29.378 29.700 -0.014 0.000 0.748 145 E HN 0.353 nan 8.360 nan 0.000 0.449 146 A N 0.235 123.048 122.820 -0.012 0.000 1.873 146 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 146 A C 2.194 179.770 177.584 -0.013 0.000 1.186 146 A CA 1.457 53.485 52.037 -0.014 0.000 0.616 146 A CB -0.830 18.173 19.000 0.005 0.000 0.823 146 A HN 0.359 nan 8.150 nan 0.000 0.442 147 L N 0.005 121.229 121.223 0.002 0.000 2.042 147 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 147 L C 2.377 179.208 176.870 -0.066 0.000 1.076 147 L CA 1.822 56.658 54.840 -0.006 0.000 0.749 147 L CB -0.474 41.596 42.059 0.018 0.000 0.893 147 L HN 0.158 nan 8.230 nan 0.000 0.432 148 V N -0.462 119.380 119.914 -0.119 0.000 2.490 148 V HA -0.241 3.878 4.120 -0.000 0.000 0.250 148 V C 2.614 178.542 176.094 -0.276 0.000 1.061 148 V CA 1.675 63.800 62.300 -0.293 0.000 1.064 148 V CB -0.836 30.730 31.823 -0.429 0.000 0.670 148 V HN 0.768 nan 8.190 nan 0.000 0.461 149 S N -0.446 115.175 115.700 -0.132 0.000 2.527 149 S HA 0.239 4.709 4.470 -0.000 0.000 0.222 149 S C 1.552 176.177 174.600 0.041 0.000 0.985 149 S CA 0.896 59.077 58.200 -0.033 0.000 0.921 149 S CB 0.633 63.823 63.200 -0.015 0.000 0.772 149 S HN 1.133 nan 8.310 nan 0.000 0.529 150 G N -0.175 108.605 108.800 -0.033 0.000 2.175 150 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.182 150 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.182 150 G C -0.153 174.793 174.900 0.075 0.000 1.003 150 G CA -0.177 44.921 45.100 -0.004 0.000 0.666 150 G HN 0.608 nan 8.290 nan 0.000 0.506 151 V N 2.388 122.331 119.914 0.048 0.000 2.364 151 V HA 0.507 4.627 4.120 -0.000 0.000 0.272 151 V C 1.559 177.703 176.094 0.083 0.000 1.036 151 V CA 0.744 63.090 62.300 0.076 0.000 0.880 151 V CB 1.164 33.010 31.823 0.038 0.000 0.991 151 V HN 0.597 nan 8.190 nan 0.000 0.460 152 T N 0.118 114.740 114.554 0.113 0.000 3.044 152 T HA 0.113 4.463 4.350 -0.000 0.000 0.250 152 T C 0.671 175.457 174.700 0.144 0.000 1.081 152 T CA 0.054 62.222 62.100 0.114 0.000 1.040 152 T CB 0.175 69.110 68.868 0.111 0.000 0.962 152 T HN 0.533 nan 8.240 nan 0.000 0.506 153 T N 2.246 116.895 114.554 0.158 0.000 2.861 153 T HA 0.684 5.034 4.350 -0.000 0.000 0.287 153 T C -0.964 173.834 174.700 0.163 0.000 1.003 153 T CA -0.595 61.624 62.100 0.197 0.000 0.977 153 T CB 1.775 70.773 68.868 0.216 0.000 0.996 153 T HN 0.192 nan 8.240 nan 0.000 0.448 154 M N 3.102 122.827 119.600 0.207 0.000 2.204 154 M HA 0.540 5.020 4.480 -0.000 0.000 0.293 154 M C -1.221 175.196 176.300 0.195 0.000 0.994 154 M CA -0.826 54.565 55.300 0.151 0.000 0.925 154 M CB 2.242 34.950 32.600 0.181 0.000 1.577 154 M HN 0.251 nan 8.290 nan 0.000 0.439 155 V N 2.390 122.331 119.914 0.045 0.000 2.555 155 V HA 1.019 5.139 4.120 -0.000 0.000 0.302 155 V C 0.241 176.305 176.094 -0.051 0.000 1.038 155 V CA -0.160 62.157 62.300 0.028 0.000 0.887 155 V CB 1.757 33.494 31.823 -0.144 0.000 0.991 155 V HN 1.076 nan 8.190 nan 0.000 0.434 156 G N 2.801 111.627 108.800 0.043 0.000 2.344 156 G HA2 0.620 4.580 3.960 -0.000 0.000 0.282 156 G HA3 0.620 4.580 3.960 -0.000 0.000 0.282 156 G C -0.589 174.398 174.900 0.145 0.000 1.281 156 G CA 0.186 45.258 45.100 -0.046 0.000 0.877 156 G HN 1.198 nan 8.290 nan 0.000 0.494 157 G N -2.112 106.749 108.800 0.103 0.000 2.684 157 G HA2 1.010 4.970 3.960 -0.000 0.000 0.290 157 G HA3 1.010 4.970 3.960 -0.000 0.000 0.290 157 G C -0.222 174.862 174.900 0.305 0.000 1.425 157 G CA 0.512 45.795 45.100 0.305 0.000 0.822 157 G HN 2.374 nan 8.290 nan 0.000 0.482 158 G N -1.951 107.035 108.800 0.311 0.000 2.350 158 G HA2 0.518 4.478 3.960 -0.000 0.000 0.304 158 G HA3 0.518 4.478 3.960 -0.000 0.000 0.304 158 G C 0.126 175.112 174.900 0.144 0.000 1.421 158 G CA 0.920 46.160 45.100 0.233 0.000 0.934 158 G HN 1.737 nan 8.290 nan 0.000 0.632 159 T N -2.629 111.937 114.554 0.019 0.000 3.111 159 T HA 0.638 4.988 4.350 -0.000 0.000 0.284 159 T C 1.262 175.969 174.700 0.011 0.000 0.983 159 T CA 1.162 63.217 62.100 -0.075 0.000 0.900 159 T CB 0.455 69.017 68.868 -0.509 0.000 1.132 159 T HN 2.701 nan 8.240 nan 0.000 0.531 160 G N 2.397 111.233 108.800 0.061 0.000 2.298 160 G HA2 0.147 4.107 3.960 -0.000 0.000 0.309 160 G HA3 0.147 4.107 3.960 -0.000 0.000 0.309 160 G C -2.968 171.939 174.900 0.011 0.000 1.279 160 G CA -0.493 44.649 45.100 0.070 0.000 1.042 160 G HN 0.069 nan 8.290 nan 0.000 0.480 161 P HA 0.487 nan 4.420 nan 0.000 0.230 161 P C -0.075 177.057 177.300 -0.281 0.000 1.791 161 P CA 1.006 64.065 63.100 -0.067 0.000 1.020 161 P CB 0.134 31.906 31.700 0.120 0.000 1.977 162 A N 1.394 123.954 122.820 -0.433 0.000 2.356 162 A HA 0.654 4.974 4.320 -0.000 0.000 0.323 162 A C 1.528 178.841 177.584 -0.453 0.000 1.119 162 A CA -0.203 51.644 52.037 -0.317 0.000 0.790 162 A CB 1.271 20.186 19.000 -0.141 0.000 1.273 162 A HN 0.218 nan 8.150 nan 0.000 0.452 163 A N 1.469 124.157 122.820 -0.220 0.000 1.915 163 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 163 A C 2.204 179.804 177.584 0.027 0.000 1.198 163 A CA 2.964 54.921 52.037 -0.134 0.000 0.647 163 A CB -1.385 17.383 19.000 -0.387 0.000 0.825 163 A HN 1.706 nan 8.150 nan 0.000 0.456 164 G N -1.676 107.121 108.800 -0.004 0.000 2.446 164 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.217 164 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.217 164 G C 1.561 176.578 174.900 0.195 0.000 1.168 164 G CA 1.686 46.851 45.100 0.109 0.000 0.771 164 G HN 0.467 nan 8.290 nan 0.000 0.551 165 T N 0.040 114.673 114.554 0.131 0.000 2.904 165 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 165 T C 2.101 176.973 174.700 0.287 0.000 1.059 165 T CA 1.011 63.229 62.100 0.197 0.000 1.137 165 T CB -0.266 68.661 68.868 0.099 0.000 0.879 165 T HN 0.286 nan 8.240 nan 0.000 0.467 166 H N 1.242 120.408 119.070 0.159 0.000 2.387 166 H HA 0.125 4.681 4.556 -0.000 0.000 0.299 166 H C 2.405 177.661 175.328 -0.120 0.000 1.099 166 H CA 1.314 57.376 56.048 0.023 0.000 1.315 166 H CB -0.444 29.374 29.762 0.093 0.000 1.380 166 H HN 0.428 nan 8.280 nan 0.000 0.513 167 A N 0.064 122.972 122.820 0.146 0.000 1.997 167 A HA 0.110 4.430 4.320 -0.000 0.000 0.212 167 A C 1.174 178.931 177.584 0.290 0.000 1.178 167 A CA 1.001 53.051 52.037 0.022 0.000 0.698 167 A CB 0.099 19.125 19.000 0.044 0.000 0.842 167 A HN 0.456 nan 8.150 nan 0.000 0.458 168 T N -3.087 111.715 114.554 0.413 0.000 2.896 168 T HA 0.459 4.809 4.350 -0.000 0.000 0.297 168 T C -0.278 174.542 174.700 0.199 0.000 1.108 168 T CA 0.177 62.536 62.100 0.431 0.000 1.004 168 T CB 1.285 70.387 68.868 0.390 0.000 1.159 168 T HN 0.256 nan 8.240 nan 0.000 0.499 169 T N 0.032 114.546 114.554 -0.066 0.000 4.098 169 T HA 0.481 4.831 4.350 -0.000 0.000 0.291 169 T C -0.013 174.722 174.700 0.057 0.000 1.440 169 T CA -0.666 61.313 62.100 -0.202 0.000 1.164 169 T CB -1.847 66.881 68.868 -0.234 0.000 1.313 169 T HN 0.727 nan 8.240 nan 0.000 0.951 170 C N 1.888 121.278 119.300 0.150 0.000 2.431 170 C HA 0.587 5.047 4.460 -0.000 0.000 0.321 170 C C 0.527 175.586 174.990 0.114 0.000 1.202 170 C CA -0.871 58.230 59.018 0.138 0.000 1.398 170 C CB 1.246 29.085 27.740 0.165 0.000 2.047 170 C HN 0.676 nan 8.230 nan 0.000 0.465 171 T N 4.624 119.232 114.554 0.090 0.000 2.929 171 T HA 0.296 4.646 4.350 -0.000 0.000 0.331 171 T C -2.678 172.060 174.700 0.063 0.000 1.120 171 T CA -0.773 61.377 62.100 0.084 0.000 0.973 171 T CB 0.259 69.198 68.868 0.118 0.000 1.036 171 T HN 0.418 nan 8.240 nan 0.000 0.502 172 P HA 0.373 nan 4.420 nan 0.000 0.269 172 P C 0.688 178.072 177.300 0.139 0.000 1.252 172 P CA 0.692 63.801 63.100 0.014 0.000 0.780 172 P CB 0.241 31.910 31.700 -0.051 0.000 0.829 173 G N 5.477 114.327 108.800 0.082 0.000 2.819 173 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.682 173 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.682 173 G C -2.046 172.941 174.900 0.145 0.000 1.481 173 G CA -0.844 44.321 45.100 0.109 0.000 0.904 173 G HN 0.245 nan 8.290 nan 0.000 0.563 174 P HA -0.144 nan 4.420 nan 0.000 0.216 174 P C 1.637 179.010 177.300 0.123 0.000 1.157 174 P CA 2.287 65.446 63.100 0.098 0.000 0.880 174 P CB -0.001 31.750 31.700 0.084 0.000 0.791 175 W N -1.422 119.856 121.300 -0.036 0.000 2.379 175 W HA -0.176 4.484 4.660 -0.000 0.000 0.307 175 W C 2.148 178.600 176.519 -0.111 0.000 1.200 175 W CA 1.393 58.672 57.345 -0.110 0.000 1.297 175 W CB -0.902 28.438 29.460 -0.200 0.000 1.140 175 W HN -0.100 nan 8.180 nan 0.000 0.507 176 Y N 0.021 120.478 120.300 0.262 0.000 2.263 176 Y HA -0.129 4.420 4.550 -0.000 0.000 0.292 176 Y C 2.298 178.182 175.900 -0.027 0.000 1.130 176 Y CA 1.641 59.808 58.100 0.111 0.000 1.179 176 Y CB -0.867 37.706 38.460 0.188 0.000 0.998 176 Y HN -0.094 nan 8.280 nan 0.000 0.532 177 I N -1.205 119.456 120.570 0.152 0.000 2.179 177 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 177 I C 2.317 178.417 176.117 -0.029 0.000 1.088 177 I CA 1.542 62.879 61.300 0.062 0.000 1.357 177 I CB -0.522 37.513 38.000 0.060 0.000 1.051 177 I HN 0.045 nan 8.210 nan 0.000 0.409 178 S N 0.297 115.945 115.700 -0.086 0.000 2.370 178 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 178 S C 2.080 176.539 174.600 -0.235 0.000 1.033 178 S CA 1.325 59.427 58.200 -0.163 0.000 1.011 178 S CB -0.278 62.795 63.200 -0.212 0.000 0.852 178 S HN 0.272 nan 8.310 nan 0.000 0.457 179 R N 1.001 121.297 120.500 -0.339 0.000 2.073 179 R HA 0.140 4.480 4.340 -0.000 0.000 0.234 179 R C 2.281 178.466 176.300 -0.193 0.000 1.134 179 R CA 1.275 57.161 56.100 -0.356 0.000 0.952 179 R CB -0.410 29.591 30.300 -0.499 0.000 0.850 179 R HN 0.297 nan 8.270 nan 0.000 0.433 180 M N -0.148 119.380 119.600 -0.120 0.000 2.296 180 M HA -0.059 4.421 4.480 -0.000 0.000 0.265 180 M C 2.023 178.223 176.300 -0.166 0.000 1.064 180 M CA 1.267 56.483 55.300 -0.140 0.000 1.109 180 M CB -0.610 31.927 32.600 -0.105 0.000 1.396 180 M HN 0.173 nan 8.290 nan 0.000 0.430 181 L N -0.471 120.676 121.223 -0.126 0.000 2.156 181 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 181 L C 2.471 179.264 176.870 -0.128 0.000 1.095 181 L CA 1.066 55.840 54.840 -0.111 0.000 0.770 181 L CB -0.362 41.649 42.059 -0.079 0.000 0.914 181 L HN 0.399 nan 8.230 nan 0.000 0.439 182 Q N -0.481 119.233 119.800 -0.143 0.000 2.083 182 Q HA -0.102 4.238 4.340 -0.000 0.000 0.198 182 Q C 2.411 178.333 176.000 -0.129 0.000 0.969 182 Q CA 1.306 57.027 55.803 -0.138 0.000 0.838 182 Q CB -0.174 28.475 28.738 -0.148 0.000 0.900 182 Q HN 0.507 nan 8.270 nan 0.000 0.436 183 A N 1.348 124.082 122.820 -0.143 0.000 1.972 183 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 183 A C 2.294 179.786 177.584 -0.154 0.000 1.169 183 A CA 1.401 53.355 52.037 -0.138 0.000 0.635 183 A CB -0.641 18.264 19.000 -0.158 0.000 0.810 183 A HN 0.375 nan 8.150 nan 0.000 0.446 184 A N -0.140 122.569 122.820 -0.186 0.000 2.070 184 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 184 A C 1.652 179.183 177.584 -0.089 0.000 1.159 184 A CA 1.696 53.625 52.037 -0.181 0.000 0.656 184 A CB -0.477 18.419 19.000 -0.174 0.000 0.800 184 A HN 0.457 nan 8.150 nan 0.000 0.453 185 D N -0.121 120.237 120.400 -0.070 0.000 2.218 185 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 185 D C 1.816 178.190 176.300 0.123 0.000 0.976 185 D CA 1.360 55.357 54.000 -0.004 0.000 0.853 185 D CB -0.069 40.655 40.800 -0.126 0.000 0.939 185 D HN 0.406 nan 8.370 nan 0.000 0.481 186 S N -0.228 115.501 115.700 0.047 0.000 2.527 186 S HA 0.080 4.550 4.470 -0.000 0.000 0.222 186 S C 1.008 175.618 174.600 0.017 0.000 0.985 186 S CA 0.011 58.238 58.200 0.045 0.000 0.921 186 S CB 0.457 63.662 63.200 0.009 0.000 0.772 186 S HN 0.178 nan 8.310 nan 0.000 0.529 187 L N 2.981 124.205 121.223 0.001 0.000 2.307 187 L HA 0.329 4.669 4.340 -0.000 0.000 0.282 187 L C -1.914 174.979 176.870 0.038 0.000 1.051 187 L CA -2.142 52.704 54.840 0.011 0.000 0.804 187 L CB 0.961 43.007 42.059 -0.023 0.000 1.197 187 L HN -0.142 nan 8.230 nan 0.000 0.431 188 P HA 0.029 nan 4.420 nan 0.000 0.258 188 P C -0.579 176.762 177.300 0.069 0.000 1.559 188 P CA 0.257 63.386 63.100 0.049 0.000 0.855 188 P CB -0.121 31.601 31.700 0.037 0.000 1.594 189 V N -3.666 116.302 119.914 0.089 0.000 3.007 189 V HA 0.525 4.645 4.120 -0.000 0.000 0.311 189 V C -0.389 175.778 176.094 0.122 0.000 1.120 189 V CA -1.411 60.960 62.300 0.118 0.000 0.980 189 V CB 1.836 33.760 31.823 0.168 0.000 1.033 189 V HN -0.171 nan 8.190 nan 0.000 0.429 190 N N 2.100 120.884 118.700 0.140 0.000 2.492 190 N HA 0.547 5.287 4.740 -0.000 0.000 0.262 190 N C -0.688 174.978 175.510 0.259 0.000 1.202 190 N CA 0.230 53.364 53.050 0.141 0.000 0.926 190 N CB 1.161 39.791 38.487 0.238 0.000 1.078 190 N HN 0.737 nan 8.380 nan 0.000 0.454 191 I N -0.168 120.544 120.570 0.237 0.000 2.730 191 I HA 0.542 4.712 4.170 -0.000 0.000 0.298 191 I C 0.327 176.680 176.117 0.393 0.000 1.089 191 I CA -0.932 60.561 61.300 0.322 0.000 1.041 191 I CB 2.511 40.624 38.000 0.190 0.000 1.235 191 I HN 0.429 nan 8.210 nan 0.000 0.423 192 G N 5.360 114.388 108.800 0.380 0.000 2.740 192 G HA2 0.667 4.627 3.960 -0.000 0.000 0.296 192 G HA3 0.667 4.627 3.960 -0.000 0.000 0.296 192 G C -1.414 173.640 174.900 0.257 0.000 1.439 192 G CA -0.460 44.830 45.100 0.317 0.000 1.066 192 G HN 0.370 nan 8.290 nan 0.000 0.527 193 L N 1.577 122.923 121.223 0.206 0.000 2.334 193 L HA 0.592 4.932 4.340 -0.000 0.000 0.275 193 L C -0.124 176.835 176.870 0.149 0.000 1.036 193 L CA -0.917 54.042 54.840 0.198 0.000 0.807 193 L CB 1.818 43.966 42.059 0.149 0.000 1.231 193 L HN 0.199 nan 8.230 nan 0.000 0.438 194 L N 1.309 122.618 121.223 0.143 0.000 2.329 194 L HA 0.619 4.959 4.340 -0.000 0.000 0.279 194 L C 0.482 177.401 176.870 0.082 0.000 1.014 194 L CA -0.443 54.456 54.840 0.098 0.000 0.814 194 L CB 1.783 43.891 42.059 0.082 0.000 1.257 194 L HN 0.677 nan 8.230 nan 0.000 0.424 195 G N 1.235 110.064 108.800 0.049 0.000 2.531 195 G HA2 0.290 4.250 3.960 -0.000 0.000 0.313 195 G HA3 0.290 4.250 3.960 -0.000 0.000 0.313 195 G C -0.942 173.948 174.900 -0.017 0.000 1.238 195 G CA -0.569 44.545 45.100 0.023 0.000 0.994 195 G HN 0.527 nan 8.290 nan 0.000 0.493 196 K N 0.163 120.514 120.400 -0.081 0.000 2.284 196 K HA 0.286 4.606 4.320 -0.000 0.000 0.287 196 K C 1.051 177.565 176.600 -0.143 0.000 1.081 196 K CA -0.076 56.102 56.287 -0.181 0.000 0.910 196 K CB 0.461 32.711 32.500 -0.416 0.000 1.088 196 K HN 0.452 nan 8.250 nan 0.000 0.478 197 G N 3.544 112.290 108.800 -0.089 0.000 2.985 197 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 197 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 197 G C 0.001 174.866 174.900 -0.058 0.000 1.165 197 G CA -0.309 44.754 45.100 -0.063 0.000 0.776 197 G HN 0.617 nan 8.290 nan 0.000 0.541 198 N N 0.966 119.619 118.700 -0.078 0.000 2.549 198 N HA 0.395 5.135 4.740 -0.000 0.000 0.267 198 N C -0.875 174.603 175.510 -0.053 0.000 1.182 198 N CA 0.200 53.230 53.050 -0.034 0.000 1.019 198 N CB 1.096 39.602 38.487 0.031 0.000 1.380 198 N HN 0.076 nan 8.380 nan 0.000 0.505 199 V N -1.286 118.606 119.914 -0.037 0.000 3.077 199 V HA 0.318 4.438 4.120 -0.000 0.000 0.299 199 V C 0.258 176.340 176.094 -0.021 0.000 1.276 199 V CA -0.977 61.303 62.300 -0.034 0.000 0.993 199 V CB 1.941 33.735 31.823 -0.048 0.000 1.076 199 V HN 0.234 nan 8.190 nan 0.000 0.434 200 S N 0.773 116.464 115.700 -0.015 0.000 2.572 200 S HA 0.165 4.635 4.470 -0.000 0.000 0.228 200 S C 0.257 174.849 174.600 -0.013 0.000 0.963 200 S CA 0.096 58.289 58.200 -0.012 0.000 0.939 200 S CB -0.085 63.111 63.200 -0.007 0.000 0.804 200 S HN 0.851 nan 8.310 nan 0.000 0.480 201 Q N 1.546 121.336 119.800 -0.016 0.000 2.357 201 Q HA 0.412 4.752 4.340 -0.000 0.000 0.266 201 Q C -2.473 173.517 176.000 -0.017 0.000 1.021 201 Q CA -2.116 53.678 55.803 -0.015 0.000 0.784 201 Q CB 1.553 30.282 28.738 -0.016 0.000 1.243 201 Q HN -0.103 nan 8.270 nan 0.000 0.465 202 P HA -0.149 nan 4.420 nan 0.000 0.216 202 P C 0.117 177.408 177.300 -0.014 0.000 1.150 202 P CA 1.193 64.284 63.100 -0.015 0.000 0.843 202 P CB 0.389 32.082 31.700 -0.012 0.000 0.787 203 D N -0.743 119.650 120.400 -0.012 0.000 2.178 203 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 203 D C 1.938 178.231 176.300 -0.012 0.000 0.980 203 D CA 1.381 55.374 54.000 -0.010 0.000 0.842 203 D CB -0.594 40.201 40.800 -0.008 0.000 0.948 203 D HN 0.098 nan 8.370 nan 0.000 0.472 204 A N 0.240 123.050 122.820 -0.017 0.000 2.067 204 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 204 A C 2.293 179.863 177.584 -0.024 0.000 1.158 204 A CA 0.687 52.711 52.037 -0.022 0.000 0.661 204 A CB -0.380 18.602 19.000 -0.031 0.000 0.801 204 A HN 0.198 nan 8.150 nan 0.000 0.452 205 L N -1.666 119.544 121.223 -0.022 0.000 2.145 205 L HA -0.026 4.314 4.340 -0.000 0.000 0.201 205 L C 2.742 179.605 176.870 -0.011 0.000 1.075 205 L CA 0.722 55.550 54.840 -0.021 0.000 0.773 205 L CB -0.471 41.574 42.059 -0.023 0.000 0.936 205 L HN 0.284 nan 8.230 nan 0.000 0.451 206 R N 0.430 120.925 120.500 -0.009 0.000 2.105 206 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 206 R C 2.121 178.422 176.300 0.001 0.000 1.135 206 R CA 1.555 57.653 56.100 -0.003 0.000 0.967 206 R CB -0.314 29.984 30.300 -0.004 0.000 0.861 206 R HN 0.450 nan 8.270 nan 0.000 0.442 207 E N 0.659 120.859 120.200 0.001 0.000 2.058 207 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 207 E C 2.163 178.770 176.600 0.012 0.000 0.997 207 E CA 1.248 57.652 56.400 0.007 0.000 0.801 207 E CB -0.056 29.648 29.700 0.007 0.000 0.746 207 E HN 0.436 nan 8.360 nan 0.000 0.450 208 Q N 0.291 120.097 119.800 0.010 0.000 2.084 208 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 208 Q C 2.407 178.420 176.000 0.021 0.000 0.978 208 Q CA 1.355 57.168 55.803 0.017 0.000 0.844 208 Q CB -0.004 28.738 28.738 0.007 0.000 0.898 208 Q HN 0.169 nan 8.270 nan 0.000 0.426 209 V N 0.783 120.706 119.914 0.015 0.000 2.427 209 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 209 V C 2.175 178.282 176.094 0.021 0.000 1.051 209 V CA 1.737 64.049 62.300 0.020 0.000 1.048 209 V CB -0.831 31.000 31.823 0.013 0.000 0.666 209 V HN 0.361 nan 8.190 nan 0.000 0.456 210 A N -0.170 122.659 122.820 0.016 0.000 2.066 210 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 210 A C 2.314 179.907 177.584 0.015 0.000 1.157 210 A CA 1.439 53.484 52.037 0.014 0.000 0.670 210 A CB -0.453 18.553 19.000 0.010 0.000 0.804 210 A HN 0.535 nan 8.150 nan 0.000 0.453 211 A N -1.811 121.020 122.820 0.018 0.000 2.066 211 A HA 0.376 4.696 4.320 -0.000 0.000 0.218 211 A C 1.792 179.386 177.584 0.016 0.000 1.157 211 A CA 1.762 53.809 52.037 0.016 0.000 0.670 211 A CB -0.416 18.599 19.000 0.025 0.000 0.804 211 A HN 1.573 nan 8.150 nan 0.000 0.453 212 G N -1.916 106.900 108.800 0.027 0.000 2.672 212 G HA2 0.016 3.976 3.960 -0.000 0.000 0.197 212 G HA3 0.016 3.976 3.960 -0.000 0.000 0.197 212 G C 0.336 175.270 174.900 0.058 0.000 0.995 212 G CA 0.067 45.188 45.100 0.036 0.000 0.754 212 G HN 1.387 nan 8.290 nan 0.000 0.505 213 V N 1.188 121.137 119.914 0.058 0.000 2.872 213 V HA 0.530 4.650 4.120 -0.000 0.000 0.307 213 V C 1.683 177.826 176.094 0.083 0.000 1.072 213 V CA 0.316 62.661 62.300 0.075 0.000 1.148 213 V CB 1.007 32.869 31.823 0.065 0.000 0.954 213 V HN 0.847 nan 8.190 nan 0.000 0.490 214 I N 0.407 121.041 120.570 0.107 0.000 3.904 214 I HA 0.764 4.934 4.170 -0.000 0.000 0.333 214 I C 0.651 176.835 176.117 0.112 0.000 1.361 214 I CA 0.352 61.720 61.300 0.113 0.000 1.116 214 I CB -0.262 37.822 38.000 0.139 0.000 1.028 214 I HN 0.932 nan 8.210 nan 0.000 0.398 215 G N 0.800 109.657 108.800 0.094 0.000 2.466 215 G HA2 0.555 4.515 3.960 -0.000 0.000 0.291 215 G HA3 0.555 4.515 3.960 -0.000 0.000 0.291 215 G C -1.643 173.283 174.900 0.044 0.000 1.460 215 G CA -0.738 44.409 45.100 0.079 0.000 0.791 215 G HN 0.088 nan 8.290 nan 0.000 0.505 219 A N 4.368 127.303 122.820 0.193 0.000 2.337 219 A HA 0.734 5.054 4.320 -0.000 0.000 0.329 219 A C 1.034 178.640 177.584 0.036 0.000 1.146 219 A CA -0.311 51.798 52.037 0.121 0.000 0.800 219 A CB 0.907 20.013 19.000 0.177 0.000 1.220 219 A HN 0.844 nan 8.150 nan 0.000 0.472 220 E N 0.959 121.060 120.200 -0.165 0.000 2.268 220 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 220 E C -0.003 176.543 176.600 -0.090 0.000 0.995 220 E CA 1.662 58.011 56.400 -0.085 0.000 0.836 220 E CB -0.277 29.388 29.700 -0.058 0.000 0.763 220 E HN 0.674 nan 8.360 nan 0.000 0.491 221 D N 0.257 120.548 120.400 -0.182 0.000 2.263 221 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 221 D C 0.433 176.610 176.300 -0.206 0.000 0.971 221 D CA 1.092 54.957 54.000 -0.224 0.000 0.867 221 D CB -0.138 40.459 40.800 -0.337 0.000 0.929 221 D HN 0.477 nan 8.370 nan 0.000 0.492 222 W N 0.252 121.552 121.300 0.001 0.000 3.132 222 W HA 0.421 5.081 4.660 -0.000 0.000 0.364 222 W C 0.528 177.043 176.519 -0.007 0.000 1.129 222 W CA -0.293 57.057 57.345 0.007 0.000 1.815 222 W CB 0.779 30.247 29.460 0.014 0.000 1.099 222 W HN -0.082 nan 8.180 nan 0.000 0.605 223 G N 1.600 110.496 108.800 0.161 0.000 3.110 223 G HA2 0.073 4.033 3.960 -0.000 0.000 0.506 223 G HA3 0.073 4.033 3.960 -0.000 0.000 0.506 223 G C -0.319 174.626 174.900 0.076 0.000 1.077 223 G CA -0.534 44.617 45.100 0.085 0.000 0.960 223 G HN 0.458 nan 8.290 nan 0.000 0.434 224 A N 2.784 125.632 122.820 0.046 0.000 3.157 224 A HA 0.743 5.063 4.320 -0.000 0.000 0.276 224 A C 1.108 178.712 177.584 0.034 0.000 1.524 224 A CA 0.738 52.805 52.037 0.050 0.000 1.236 224 A CB -0.288 18.751 19.000 0.065 0.000 1.173 224 A HN 2.072 nan 8.150 nan 0.000 0.595 225 T N -2.019 112.551 114.554 0.027 0.000 2.918 225 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 225 T C -1.845 172.866 174.700 0.019 0.000 1.001 225 T CA -1.692 60.418 62.100 0.017 0.000 1.041 225 T CB 1.134 70.006 68.868 0.007 0.000 1.028 225 T HN 0.077 nan 8.240 nan 0.000 0.511 226 P HA -0.087 nan 4.420 nan 0.000 0.216 226 P C 1.643 178.945 177.300 0.002 0.000 1.150 226 P CA 1.577 64.683 63.100 0.009 0.000 0.843 226 P CB -0.255 31.446 31.700 0.002 0.000 0.787 227 A N -0.241 122.579 122.820 0.000 0.000 1.902 227 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 227 A C 2.306 179.888 177.584 -0.002 0.000 1.181 227 A CA 2.067 54.103 52.037 -0.002 0.000 0.623 227 A CB -1.570 17.428 19.000 -0.003 0.000 0.818 227 A HN 0.196 nan 8.150 nan 0.000 0.443 228 A N 0.013 122.835 122.820 0.003 0.000 1.873 228 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 228 A C 2.131 179.714 177.584 -0.002 0.000 1.186 228 A CA 1.484 53.522 52.037 0.002 0.000 0.616 228 A CB -0.640 18.369 19.000 0.015 0.000 0.823 228 A HN 0.482 nan 8.150 nan 0.000 0.442 229 I N -0.114 120.458 120.570 0.002 0.000 2.127 229 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 229 I C 2.354 178.462 176.117 -0.014 0.000 1.075 229 I CA 2.073 63.370 61.300 -0.005 0.000 1.334 229 I CB -0.443 37.558 38.000 0.003 0.000 1.040 229 I HN 0.438 nan 8.210 nan 0.000 0.405 230 D N 0.047 120.440 120.400 -0.012 0.000 2.144 230 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 230 D C 2.271 178.561 176.300 -0.016 0.000 0.984 230 D CA 1.153 55.144 54.000 -0.015 0.000 0.834 230 D CB -0.139 40.654 40.800 -0.012 0.000 0.955 230 D HN 0.400 nan 8.370 nan 0.000 0.465 231 C N -0.149 119.142 119.300 -0.015 0.000 2.453 231 C HA 0.141 4.601 4.460 -0.000 0.000 0.277 231 C C 2.884 177.862 174.990 -0.020 0.000 1.262 231 C CA 1.366 60.375 59.018 -0.016 0.000 1.718 231 C CB -1.439 26.292 27.740 -0.015 0.000 2.031 231 C HN 0.442 nan 8.230 nan 0.000 0.480 232 A N 0.244 123.050 122.820 -0.023 0.000 1.902 232 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 232 A C 2.185 179.750 177.584 -0.031 0.000 1.181 232 A CA 1.800 53.820 52.037 -0.028 0.000 0.623 232 A CB -0.751 18.230 19.000 -0.032 0.000 0.818 232 A HN 0.672 nan 8.150 nan 0.000 0.443 233 L N -0.800 120.404 121.223 -0.032 0.000 2.131 233 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 233 L C 2.749 179.601 176.870 -0.029 0.000 1.092 233 L CA 1.616 56.436 54.840 -0.034 0.000 0.759 233 L CB -0.755 41.283 42.059 -0.035 0.000 0.903 233 L HN 0.357 nan 8.230 nan 0.000 0.435 234 T N -0.616 113.924 114.554 -0.024 0.000 2.708 234 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 234 T C 1.976 176.664 174.700 -0.019 0.000 1.037 234 T CA 1.365 63.453 62.100 -0.020 0.000 1.146 234 T CB -0.119 68.739 68.868 -0.017 0.000 0.865 234 T HN 0.068 nan 8.240 nan 0.000 0.435 235 V N 1.667 121.570 119.914 -0.019 0.000 2.358 235 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 235 V C 2.881 178.964 176.094 -0.018 0.000 1.047 235 V CA 1.504 63.794 62.300 -0.017 0.000 1.035 235 V CB -1.231 30.582 31.823 -0.016 0.000 0.658 235 V HN 0.505 nan 8.190 nan 0.000 0.452 236 A N 0.029 122.834 122.820 -0.024 0.000 1.908 236 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 236 A C 2.003 179.570 177.584 -0.028 0.000 1.181 236 A CA 2.237 54.257 52.037 -0.028 0.000 0.627 236 A CB -0.715 18.261 19.000 -0.040 0.000 0.818 236 A HN 0.514 nan 8.150 nan 0.000 0.445 237 D N -0.379 120.004 120.400 -0.028 0.000 2.178 237 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 237 D C 1.966 178.253 176.300 -0.021 0.000 0.980 237 D CA 1.579 55.564 54.000 -0.026 0.000 0.842 237 D CB -0.215 40.570 40.800 -0.024 0.000 0.948 237 D HN 0.888 nan 8.370 nan 0.000 0.472 238 E N -0.899 119.290 120.200 -0.017 0.000 2.474 238 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 238 E C 1.407 178.000 176.600 -0.011 0.000 1.041 238 E CA 0.170 56.562 56.400 -0.014 0.000 0.874 238 E CB 0.106 29.799 29.700 -0.012 0.000 0.914 238 E HN 0.209 nan 8.360 nan 0.000 0.498 239 M N 0.625 120.218 119.600 -0.011 0.000 2.306 239 M HA 0.152 4.632 4.480 -0.000 0.000 0.292 239 M C -0.395 175.901 176.300 -0.006 0.000 1.018 239 M CA -0.110 55.187 55.300 -0.006 0.000 1.007 239 M CB 0.635 33.234 32.600 -0.002 0.000 1.510 239 M HN -0.110 nan 8.290 nan 0.000 0.537 240 D N 2.786 123.178 120.400 -0.014 0.000 2.718 240 D HA -0.142 4.498 4.640 -0.000 0.000 0.242 240 D C -1.050 175.242 176.300 -0.013 0.000 1.123 240 D CA 0.595 54.585 54.000 -0.018 0.000 0.690 240 D CB -0.802 39.988 40.800 -0.016 0.000 1.059 240 D HN 0.512 nan 8.370 nan 0.000 0.429 241 I N -2.620 117.939 120.570 -0.017 0.000 3.002 241 I HA 0.727 4.897 4.170 -0.000 0.000 0.310 241 I C -0.027 176.063 176.117 -0.044 0.000 1.087 241 I CA -1.135 60.159 61.300 -0.010 0.000 1.017 241 I CB 1.571 39.577 38.000 0.010 0.000 1.226 241 I HN -0.136 nan 8.210 nan 0.000 0.443 242 Q N 1.854 121.618 119.800 -0.059 0.000 2.227 242 Q HA 0.700 5.040 4.340 -0.000 0.000 0.245 242 Q C -1.363 174.577 176.000 -0.100 0.000 0.926 242 Q CA -0.531 55.185 55.803 -0.145 0.000 0.895 242 Q CB 1.797 30.302 28.738 -0.389 0.000 1.230 242 Q HN 0.654 nan 8.270 nan 0.000 0.450 243 V N 2.208 122.044 119.914 -0.131 0.000 2.459 243 V HA 0.843 4.963 4.120 -0.000 0.000 0.295 243 V C -0.639 175.323 176.094 -0.221 0.000 1.029 243 V CA -0.702 61.519 62.300 -0.132 0.000 0.874 243 V CB 1.441 33.199 31.823 -0.108 0.000 0.985 243 V HN 0.857 nan 8.190 nan 0.000 0.438 244 A N 4.969 127.587 122.820 -0.338 0.000 2.318 244 A HA 0.875 5.195 4.320 -0.000 0.000 0.324 244 A C -1.143 176.080 177.584 -0.601 0.000 1.170 244 A CA -0.475 51.098 52.037 -0.773 0.000 0.810 244 A CB 1.192 19.456 19.000 -1.227 0.000 1.198 244 A HN 0.789 nan 8.150 nan 0.000 0.484 245 L N 1.974 122.858 121.223 -0.565 0.000 2.346 245 L HA 0.578 4.918 4.340 -0.000 0.000 0.276 245 L C -0.528 176.297 176.870 -0.075 0.000 1.006 245 L CA -0.203 54.501 54.840 -0.227 0.000 0.817 245 L CB 1.672 43.661 42.059 -0.117 0.000 1.272 245 L HN 0.802 nan 8.230 nan 0.000 0.421 246 H N 3.133 122.209 119.070 0.011 0.000 2.866 246 H HA 0.522 5.078 4.556 -0.000 0.000 0.287 246 H C -0.284 175.127 175.328 0.139 0.000 1.106 246 H CA -0.384 55.785 56.048 0.202 0.000 1.396 246 H CB 0.885 30.852 29.762 0.340 0.000 1.469 246 H HN 0.835 nan 8.280 nan 0.000 0.500 247 S N 2.554 118.433 115.700 0.297 0.000 2.617 247 S HA -0.061 4.409 4.470 -0.000 0.000 0.255 247 S C 0.471 175.113 174.600 0.071 0.000 1.318 247 S CA -0.776 57.534 58.200 0.182 0.000 0.978 247 S CB 0.866 64.206 63.200 0.233 0.000 0.961 247 S HN 0.746 nan 8.310 nan 0.000 0.582 248 D N 0.464 120.726 120.400 -0.229 0.000 2.455 248 D HA 0.188 4.828 4.640 -0.000 0.000 0.234 248 D C 1.038 177.012 176.300 -0.543 0.000 1.224 248 D CA 0.021 53.806 54.000 -0.359 0.000 0.999 248 D CB -0.217 40.399 40.800 -0.308 0.000 1.072 248 D HN 0.550 nan 8.370 nan 0.000 0.514 249 T N 3.360 117.802 114.554 -0.188 0.000 2.759 249 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 249 T C 1.941 176.581 174.700 -0.099 0.000 1.042 249 T CA 0.815 62.882 62.100 -0.054 0.000 1.140 249 T CB -0.017 69.009 68.868 0.262 0.000 0.864 249 T HN 0.436 nan 8.240 nan 0.000 0.455 250 L N 0.963 122.041 121.223 -0.241 0.000 2.549 250 L HA 0.046 4.386 4.340 -0.000 0.000 0.229 250 L C 0.692 177.494 176.870 -0.114 0.000 1.158 250 L CA 0.163 54.858 54.840 -0.243 0.000 0.842 250 L CB -0.801 41.032 42.059 -0.376 0.000 0.952 250 L HN 0.265 nan 8.230 nan 0.000 0.452 251 N N 0.166 118.812 118.700 -0.090 0.000 2.714 251 N HA -0.277 4.463 4.740 -0.000 0.000 0.250 251 N C 1.174 176.595 175.510 -0.148 0.000 1.117 251 N CA 1.312 54.352 53.050 -0.017 0.000 0.719 251 N CB -1.004 37.559 38.487 0.128 0.000 1.081 251 N HN 0.590 nan 8.380 nan 0.000 0.557 252 E N 0.539 120.656 120.200 -0.138 0.000 2.085 252 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 252 E C 1.429 177.956 176.600 -0.122 0.000 0.994 252 E CA 1.796 58.117 56.400 -0.132 0.000 0.801 252 E CB 0.105 29.727 29.700 -0.130 0.000 0.743 252 E HN 0.559 nan 8.360 nan 0.000 0.453 253 S N -1.275 114.367 115.700 -0.097 0.000 2.524 253 S HA 0.405 4.875 4.470 -0.000 0.000 0.215 253 S C 0.550 175.093 174.600 -0.094 0.000 0.986 253 S CA 0.002 58.157 58.200 -0.074 0.000 0.911 253 S CB 1.327 64.507 63.200 -0.032 0.000 0.805 253 S HN 0.421 nan 8.310 nan 0.000 0.501 254 G N 0.209 108.923 108.800 -0.143 0.000 2.336 254 G HA2 0.383 4.343 3.960 -0.000 0.000 0.300 254 G HA3 0.383 4.343 3.960 -0.000 0.000 0.300 254 G C -1.135 173.648 174.900 -0.195 0.000 1.375 254 G CA -1.080 43.878 45.100 -0.236 0.000 0.885 254 G HN 0.071 nan 8.290 nan 0.000 0.599 255 F N -0.854 119.112 119.950 0.026 0.000 2.251 255 F HA 0.552 5.079 4.527 -0.000 0.000 0.302 255 F C 1.995 177.471 175.800 -0.540 0.000 1.143 255 F CA 0.229 58.188 58.000 -0.069 0.000 1.104 255 F CB 0.513 39.488 39.000 -0.042 0.000 1.516 255 F HN 0.330 nan 8.300 nan 0.000 0.511 256 V N 1.295 120.931 119.914 -0.463 0.000 2.332 256 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 256 V C 2.223 178.151 176.094 -0.277 0.000 1.055 256 V CA 2.366 64.277 62.300 -0.650 0.000 1.038 256 V CB -0.663 31.009 31.823 -0.251 0.000 0.651 256 V HN 0.808 nan 8.190 nan 0.000 0.450 257 E N -1.024 119.115 120.200 -0.101 0.000 2.204 257 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 257 E C 1.628 178.201 176.600 -0.044 0.000 0.990 257 E CA 1.719 58.093 56.400 -0.043 0.000 0.821 257 E CB -0.601 29.111 29.700 0.019 0.000 0.750 257 E HN 0.673 nan 8.360 nan 0.000 0.477 258 D N 0.904 121.277 120.400 -0.045 0.000 2.137 258 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 258 D C 1.766 178.042 176.300 -0.040 0.000 0.970 258 D CA 1.547 55.529 54.000 -0.030 0.000 0.837 258 D CB -0.036 40.750 40.800 -0.023 0.000 0.981 258 D HN 0.190 nan 8.370 nan 0.000 0.475 259 T N 1.706 116.220 114.554 -0.067 0.000 2.708 259 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 259 T C 2.268 176.934 174.700 -0.056 0.000 1.037 259 T CA 0.612 62.703 62.100 -0.015 0.000 1.146 259 T CB -0.272 68.625 68.868 0.047 0.000 0.865 259 T HN 0.092 nan 8.240 nan 0.000 0.435 260 L N 0.651 121.809 121.223 -0.108 0.000 2.131 260 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 260 L C 2.942 179.756 176.870 -0.093 0.000 1.092 260 L CA 1.124 55.874 54.840 -0.150 0.000 0.759 260 L CB -0.586 41.333 42.059 -0.233 0.000 0.903 260 L HN 0.241 nan 8.230 nan 0.000 0.435 261 A N -0.074 122.712 122.820 -0.057 0.000 1.898 261 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 261 A C 2.557 180.125 177.584 -0.027 0.000 1.181 261 A CA 1.502 53.521 52.037 -0.030 0.000 0.620 261 A CB -0.691 18.300 19.000 -0.016 0.000 0.819 261 A HN 0.371 nan 8.150 nan 0.000 0.442 262 A N 0.154 122.959 122.820 -0.025 0.000 1.940 262 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 262 A C 2.082 179.651 177.584 -0.025 0.000 1.176 262 A CA 1.604 53.630 52.037 -0.018 0.000 0.631 262 A CB -0.676 18.319 19.000 -0.008 0.000 0.814 262 A HN 0.521 nan 8.150 nan 0.000 0.446 263 I N -0.557 119.991 120.570 -0.038 0.000 2.286 263 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 263 I C 1.769 177.864 176.117 -0.037 0.000 1.115 263 I CA 0.891 62.165 61.300 -0.044 0.000 1.392 263 I CB -0.774 37.185 38.000 -0.067 0.000 1.065 263 I HN 0.484 nan 8.210 nan 0.000 0.418 264 G N 1.159 109.939 108.800 -0.034 0.000 2.356 264 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.296 264 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.296 264 G C 0.987 175.877 174.900 -0.017 0.000 1.022 264 G CA 0.444 45.531 45.100 -0.021 0.000 0.961 264 G HN 0.947 nan 8.290 nan 0.000 0.510 265 G N -1.671 107.118 108.800 -0.017 0.000 2.168 265 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 265 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 265 G C 0.554 175.444 174.900 -0.017 0.000 0.977 265 G CA 1.085 46.181 45.100 -0.006 0.000 0.659 265 G HN 1.052 nan 8.290 nan 0.000 0.533 266 R N 0.508 120.991 120.500 -0.028 0.000 2.459 266 R HA 0.478 4.818 4.340 -0.000 0.000 0.281 266 R C 0.464 176.738 176.300 -0.043 0.000 1.050 266 R CA -0.137 55.943 56.100 -0.034 0.000 1.055 266 R CB 0.536 30.815 30.300 -0.035 0.000 1.045 266 R HN 0.142 nan 8.270 nan 0.000 0.495 267 T N 3.151 117.676 114.554 -0.048 0.000 2.908 267 T HA 0.146 4.496 4.350 -0.000 0.000 0.301 267 T C 0.167 174.823 174.700 -0.074 0.000 1.019 267 T CA 0.569 62.632 62.100 -0.061 0.000 1.152 267 T CB 0.006 68.833 68.868 -0.068 0.000 0.966 267 T HN 0.397 nan 8.240 nan 0.000 0.540 268 I N 1.718 122.242 120.570 -0.077 0.000 2.787 268 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 268 I C -0.858 175.226 176.117 -0.054 0.000 1.365 268 I CA -0.856 60.394 61.300 -0.083 0.000 1.029 268 I CB 2.130 40.080 38.000 -0.083 0.000 1.313 268 I HN 0.738 nan 8.210 nan 0.000 0.431 269 H N 5.419 124.359 119.070 -0.216 0.000 2.594 269 H HA 0.415 4.971 4.556 -0.000 0.000 0.304 269 H C -0.778 174.397 175.328 -0.256 0.000 1.068 269 H CA -0.554 55.365 56.048 -0.215 0.000 1.308 269 H CB 0.950 30.572 29.762 -0.233 0.000 1.409 269 H HN 0.593 nan 8.280 nan 0.000 0.460 270 T N 3.504 118.105 114.554 0.079 0.000 2.728 270 T HA 0.195 4.545 4.350 -0.000 0.000 0.296 270 T C -0.103 174.586 174.700 -0.019 0.000 0.940 270 T CA -0.780 61.276 62.100 -0.072 0.000 1.013 270 T CB 0.234 69.068 68.868 -0.057 0.000 0.912 270 T HN 0.193 nan 8.240 nan 0.000 0.484 271 F N 3.722 123.439 119.950 -0.387 0.000 2.410 271 F HA 0.256 4.783 4.527 -0.000 0.000 0.334 271 F C 1.492 176.891 175.800 -0.668 0.000 1.134 271 F CA -1.008 56.664 58.000 -0.547 0.000 1.227 271 F CB -0.105 38.437 39.000 -0.764 0.000 1.194 271 F HN 0.953 nan 8.300 nan 0.000 0.571 272 H N -0.849 118.394 119.070 0.287 0.000 2.166 272 H HA -0.205 4.351 4.556 -0.000 0.000 0.323 272 H C 0.764 176.178 175.328 0.144 0.000 0.936 272 H CA 0.476 56.634 56.048 0.183 0.000 1.073 272 H CB -2.440 27.387 29.762 0.107 0.000 1.592 272 H HN 0.529 nan 8.280 nan 0.000 0.346 273 T N -0.862 113.796 114.554 0.173 0.000 2.946 273 T HA -0.228 4.122 4.350 -0.000 0.000 0.271 273 T C 1.764 176.628 174.700 0.274 0.000 1.104 273 T CA 1.329 63.478 62.100 0.081 0.000 1.114 273 T CB 0.028 68.686 68.868 -0.350 0.000 0.867 273 T HN 0.707 nan 8.240 nan 0.000 0.513 274 E N 0.709 121.153 120.200 0.407 0.000 2.152 274 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 274 E C 1.886 178.571 176.600 0.141 0.000 0.983 274 E CA 1.115 57.689 56.400 0.289 0.000 0.818 274 E CB -0.214 29.602 29.700 0.193 0.000 0.758 274 E HN 0.578 nan 8.360 nan 0.000 0.467 275 G N -0.044 108.838 108.800 0.137 0.000 2.307 275 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.210 275 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.210 275 G C 1.360 176.230 174.900 -0.050 0.000 1.005 275 G CA 0.619 45.747 45.100 0.047 0.000 0.634 275 G HN 0.544 nan 8.290 nan 0.000 0.496 276 A N 0.775 123.563 122.820 -0.054 0.000 1.908 276 A HA 0.291 4.611 4.320 -0.000 0.000 0.218 276 A C 2.641 180.154 177.584 -0.118 0.000 1.181 276 A CA 2.555 54.544 52.037 -0.081 0.000 0.627 276 A CB -0.970 17.977 19.000 -0.089 0.000 0.818 276 A HN 1.670 nan 8.150 nan 0.000 0.445 277 G N -1.642 107.022 108.800 -0.227 0.000 2.848 277 G HA2 0.442 4.402 3.960 -0.000 0.000 0.208 277 G HA3 0.442 4.402 3.960 -0.000 0.000 0.208 277 G C 0.652 174.992 174.900 -0.932 0.000 1.152 277 G CA 0.780 45.587 45.100 -0.487 0.000 0.789 277 G HN 1.648 nan 8.290 nan 0.000 0.531 278 G N -2.180 106.201 108.800 -0.698 0.000 2.351 278 G HA2 0.576 4.536 3.960 -0.000 0.000 0.472 278 G HA3 0.576 4.536 3.960 -0.000 0.000 0.472 278 G C -0.288 174.453 174.900 -0.265 0.000 1.570 278 G CA -0.067 44.660 45.100 -0.623 0.000 0.921 278 G HN 1.806 nan 8.290 nan 0.000 0.674 279 G N 0.564 109.345 108.800 -0.031 0.000 2.317 279 G HA2 0.471 4.431 3.960 -0.000 0.000 0.445 279 G HA3 0.471 4.431 3.960 -0.000 0.000 0.445 279 G C -0.456 174.492 174.900 0.080 0.000 1.486 279 G CA -0.391 44.754 45.100 0.076 0.000 0.991 279 G HN 1.379 nan 8.290 nan 0.000 0.660 280 H N -0.018 119.114 119.070 0.102 0.000 3.209 280 H HA 0.248 4.804 4.556 -0.000 0.000 0.297 280 H C 1.048 176.422 175.328 0.078 0.000 0.936 280 H CA 1.552 57.661 56.048 0.102 0.000 1.392 280 H CB 0.671 30.500 29.762 0.112 0.000 1.349 280 H HN 0.967 nan 8.280 nan 0.000 0.568 281 A N 6.599 129.518 122.820 0.166 0.000 2.301 281 A HA 0.283 4.603 4.320 -0.000 0.000 0.298 281 A C -1.577 176.061 177.584 0.090 0.000 1.185 281 A CA -1.271 50.811 52.037 0.074 0.000 0.830 281 A CB 0.732 19.759 19.000 0.045 0.000 1.112 281 A HN 0.551 nan 8.150 nan 0.000 0.508 282 P HA 0.160 nan 4.420 nan 0.000 0.290 282 P C -0.613 176.683 177.300 -0.008 0.000 1.447 282 P CA 0.175 63.215 63.100 -0.099 0.000 1.127 282 P CB 0.504 32.025 31.700 -0.299 0.000 1.555 283 D N -0.649 119.786 120.400 0.058 0.000 2.643 283 D HA 0.037 4.677 4.640 -0.000 0.000 0.244 283 D C 1.232 177.585 176.300 0.089 0.000 1.257 283 D CA -0.674 53.366 54.000 0.067 0.000 0.831 283 D CB -0.479 40.349 40.800 0.048 0.000 1.043 283 D HN -0.023 nan 8.370 nan 0.000 0.488 284 I N 0.440 121.082 120.570 0.119 0.000 2.454 284 I HA -0.059 4.111 4.170 -0.000 0.000 0.254 284 I C 1.687 177.869 176.117 0.109 0.000 1.156 284 I CA 0.727 62.106 61.300 0.132 0.000 1.433 284 I CB -0.151 37.948 38.000 0.165 0.000 1.082 284 I HN 0.197 nan 8.210 nan 0.000 0.432 285 I N 0.471 121.116 120.570 0.125 0.000 2.530 285 I HA -0.317 3.853 4.170 -0.000 0.000 0.257 285 I C 2.082 178.286 176.117 0.145 0.000 1.179 285 I CA 1.799 63.202 61.300 0.172 0.000 1.440 285 I CB -0.310 37.802 38.000 0.187 0.000 1.087 285 I HN 0.504 nan 8.210 nan 0.000 0.440 286 T N -1.696 112.924 114.554 0.109 0.000 3.098 286 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 286 T C 1.789 176.575 174.700 0.144 0.000 1.145 286 T CA 0.662 62.829 62.100 0.112 0.000 1.092 286 T CB -0.355 68.570 68.868 0.095 0.000 0.908 286 T HN 0.381 nan 8.240 nan 0.000 0.526 287 A N 1.324 124.201 122.820 0.095 0.000 2.019 287 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 287 A C 2.666 180.324 177.584 0.122 0.000 1.164 287 A CA 1.284 53.365 52.037 0.074 0.000 0.644 287 A CB -1.537 17.450 19.000 -0.022 0.000 0.805 287 A HN 0.997 nan 8.150 nan 0.000 0.449 288 C N -1.583 117.747 119.300 0.049 0.000 2.443 288 C HA 0.329 4.789 4.460 -0.000 0.000 0.290 288 C C 2.401 177.421 174.990 0.050 0.000 1.476 288 C CA 0.158 59.178 59.018 0.004 0.000 1.772 288 C CB -1.785 25.953 27.740 -0.003 0.000 1.714 288 C HN 0.645 nan 8.230 nan 0.000 0.562 289 A N -0.620 122.253 122.820 0.088 0.000 2.169 289 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 289 A C 0.921 178.402 177.584 -0.171 0.000 1.153 289 A CA 0.168 52.176 52.037 -0.048 0.000 0.756 289 A CB -0.589 18.341 19.000 -0.117 0.000 0.813 289 A HN 0.869 nan 8.150 nan 0.000 0.471 290 H N -0.214 118.842 119.070 -0.023 0.000 2.481 290 H HA 0.177 4.733 4.556 -0.000 0.000 0.339 290 H C -1.653 173.656 175.328 -0.032 0.000 1.131 290 H CA -1.592 54.441 56.048 -0.026 0.000 1.301 290 H CB 1.253 30.999 29.762 -0.027 0.000 1.476 290 H HN 0.134 nan 8.280 nan 0.000 0.529 291 P HA -0.131 nan 4.420 nan 0.000 0.221 291 P C 0.752 178.059 177.300 0.013 0.000 1.150 291 P CA 1.058 64.170 63.100 0.020 0.000 0.800 291 P CB 0.382 32.086 31.700 0.007 0.000 0.787 292 N N -0.403 118.315 118.700 0.029 0.000 2.336 292 N HA 0.021 4.761 4.740 -0.000 0.000 0.189 292 N C 0.347 175.842 175.510 -0.025 0.000 1.113 292 N CA 0.098 53.145 53.050 -0.006 0.000 0.858 292 N CB -0.099 38.384 38.487 -0.008 0.000 0.970 292 N HN 0.100 nan 8.380 nan 0.000 0.471 293 I N 1.865 122.429 120.570 -0.010 0.000 2.331 293 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 293 I C -0.037 176.042 176.117 -0.062 0.000 0.998 293 I CA -0.769 60.508 61.300 -0.037 0.000 1.267 293 I CB 1.448 39.434 38.000 -0.025 0.000 1.386 293 I HN -0.061 nan 8.210 nan 0.000 0.476 294 L N 8.456 129.630 121.223 -0.083 0.000 2.313 294 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 294 L C -2.297 174.506 176.870 -0.112 0.000 1.028 294 L CA -1.582 53.179 54.840 -0.132 0.000 0.871 294 L CB 1.116 43.053 42.059 -0.205 0.000 1.242 294 L HN 0.321 nan 8.230 nan 0.000 0.434 295 P HA 0.243 nan 4.420 nan 0.000 0.285 295 P C -0.793 176.381 177.300 -0.209 0.000 1.259 295 P CA -0.244 62.701 63.100 -0.257 0.000 0.794 295 P CB 1.851 33.227 31.700 -0.540 0.000 0.940 296 S N 1.482 117.154 115.700 -0.045 0.000 2.595 296 S HA 0.684 5.154 4.470 -0.000 0.000 0.281 296 S C -0.546 174.201 174.600 0.245 0.000 1.117 296 S CA -0.678 57.622 58.200 0.166 0.000 0.873 296 S CB 1.240 64.677 63.200 0.396 0.000 1.108 296 S HN 0.306 nan 8.310 nan 0.000 0.477 297 S N 1.434 117.381 115.700 0.412 0.000 2.578 297 S HA 0.789 5.259 4.470 -0.000 0.000 0.301 297 S C 0.030 174.780 174.600 0.249 0.000 1.091 297 S CA -0.749 57.712 58.200 0.434 0.000 1.032 297 S CB 1.553 65.110 63.200 0.594 0.000 1.064 297 S HN 0.987 nan 8.310 nan 0.000 0.508 298 T N 0.008 114.674 114.554 0.187 0.000 2.902 298 T HA 0.294 4.644 4.350 -0.000 0.000 0.280 298 T C 0.992 175.717 174.700 0.040 0.000 0.992 298 T CA -0.833 61.292 62.100 0.042 0.000 1.015 298 T CB 0.491 69.345 68.868 -0.023 0.000 1.044 298 T HN 0.589 nan 8.240 nan 0.000 0.520 299 N N 0.438 119.124 118.700 -0.025 0.000 2.446 299 N HA 0.025 4.765 4.740 -0.000 0.000 0.179 299 N C -0.970 174.540 175.510 0.001 0.000 1.054 299 N CA -0.139 52.899 53.050 -0.020 0.000 0.905 299 N CB -1.360 37.091 38.487 -0.060 0.000 0.973 299 N HN 0.425 nan 8.380 nan 0.000 0.448 300 P HA -0.086 nan 4.420 nan 0.000 0.220 300 P C 0.762 178.159 177.300 0.161 0.000 1.148 300 P CA 1.478 64.615 63.100 0.063 0.000 0.803 300 P CB -0.306 31.396 31.700 0.003 0.000 0.782 301 T N -3.315 111.320 114.554 0.135 0.000 3.129 301 T HA 0.198 4.548 4.350 -0.000 0.000 0.251 301 T C 0.681 175.424 174.700 0.071 0.000 1.117 301 T CA -0.055 62.089 62.100 0.074 0.000 1.034 301 T CB -0.683 68.183 68.868 -0.002 0.000 0.968 301 T HN -0.013 nan 8.240 nan 0.000 0.526 302 L N 3.084 124.344 121.223 0.062 0.000 2.298 302 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 302 L C -2.419 174.473 176.870 0.037 0.000 1.013 302 L CA -2.361 52.504 54.840 0.041 0.000 0.824 302 L CB 1.894 43.951 42.059 -0.002 0.000 1.221 302 L HN -0.007 nan 8.230 nan 0.000 0.418 303 P HA 0.119 nan 4.420 nan 0.000 0.289 303 P C -1.315 176.075 177.300 0.150 0.000 1.300 303 P CA -0.717 62.439 63.100 0.095 0.000 0.828 303 P CB 1.067 32.822 31.700 0.090 0.000 1.235 304 Y N 1.539 121.846 120.300 0.011 0.000 2.605 304 Y HA 0.282 4.831 4.550 -0.000 0.000 0.336 304 Y C 0.385 176.293 175.900 0.013 0.000 1.111 304 Y CA 0.236 58.338 58.100 0.003 0.000 1.422 304 Y CB -0.755 37.703 38.460 -0.002 0.000 1.193 304 Y HN 0.385 nan 8.280 nan 0.000 0.526 305 T N 2.545 117.060 114.554 -0.065 0.000 2.858 305 T HA 0.414 4.763 4.350 -0.000 0.000 0.285 305 T C 0.988 175.551 174.700 -0.230 0.000 1.052 305 T CA -0.841 61.155 62.100 -0.173 0.000 1.009 305 T CB 0.815 69.659 68.868 -0.040 0.000 1.241 305 T HN 0.544 nan 8.240 nan 0.000 0.542 306 L N 0.419 121.547 121.223 -0.158 0.000 2.141 306 L HA 0.033 4.373 4.340 -0.000 0.000 0.209 306 L C 2.074 178.922 176.870 -0.036 0.000 1.094 306 L CA 0.990 55.762 54.840 -0.113 0.000 0.763 306 L CB -0.461 41.552 42.059 -0.076 0.000 0.908 306 L HN 0.647 nan 8.230 nan 0.000 0.437 307 N N -1.150 117.544 118.700 -0.009 0.000 2.280 307 N HA -0.001 4.739 4.740 -0.000 0.000 0.192 307 N C 1.545 177.093 175.510 0.064 0.000 1.109 307 N CA 0.400 53.463 53.050 0.022 0.000 0.855 307 N CB 0.375 38.869 38.487 0.011 0.000 0.974 307 N HN 0.225 nan 8.380 nan 0.000 0.482 308 T N 2.117 116.726 114.554 0.093 0.000 2.607 308 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 308 T C 2.011 176.827 174.700 0.193 0.000 1.049 308 T CA 0.808 63.006 62.100 0.163 0.000 1.162 308 T CB 0.067 69.046 68.868 0.185 0.000 0.863 308 T HN 0.103 nan 8.240 nan 0.000 0.424 309 I N 2.104 122.749 120.570 0.124 0.000 2.142 309 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 309 I C 2.297 178.476 176.117 0.104 0.000 1.078 309 I CA 1.440 62.792 61.300 0.086 0.000 1.343 309 I CB -1.350 36.696 38.000 0.076 0.000 1.046 309 I HN 0.300 nan 8.210 nan 0.000 0.405 310 D N 0.620 121.067 120.400 0.078 0.000 2.172 310 D HA -0.267 4.373 4.640 -0.000 0.000 0.196 310 D C 1.994 178.321 176.300 0.045 0.000 0.999 310 D CA 1.573 55.603 54.000 0.051 0.000 0.856 310 D CB -0.168 40.652 40.800 0.033 0.000 0.934 310 D HN 0.565 nan 8.370 nan 0.000 0.453 311 E N 0.200 120.437 120.200 0.062 0.000 2.285 311 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 311 E C 1.638 178.215 176.600 -0.039 0.000 0.997 311 E CA 0.606 57.011 56.400 0.008 0.000 0.845 311 E CB 0.056 29.756 29.700 -0.001 0.000 0.782 311 E HN 0.352 nan 8.360 nan 0.000 0.491 312 H N 0.112 119.158 119.070 -0.040 0.000 2.389 312 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 312 H C 1.876 177.161 175.328 -0.072 0.000 1.081 312 H CA 1.415 57.428 56.048 -0.058 0.000 1.345 312 H CB -0.002 29.730 29.762 -0.050 0.000 1.393 312 H HN 0.143 nan 8.280 nan 0.000 0.520 313 L N 0.715 121.960 121.223 0.037 0.000 1.970 313 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 313 L C 1.531 178.365 176.870 -0.060 0.000 1.071 313 L CA 1.988 56.819 54.840 -0.014 0.000 0.751 313 L CB -0.522 41.533 42.059 -0.006 0.000 0.889 313 L HN 0.263 nan 8.230 nan 0.000 0.432 314 D N -0.971 119.389 120.400 -0.066 0.000 2.178 314 D HA -0.213 4.427 4.640 -0.000 0.000 0.202 314 D C 2.177 178.399 176.300 -0.129 0.000 0.974 314 D CA 1.424 55.372 54.000 -0.087 0.000 0.841 314 D CB -0.045 40.711 40.800 -0.074 0.000 0.953 314 D HN 0.473 nan 8.370 nan 0.000 0.478 315 M N 0.575 120.080 119.600 -0.159 0.000 2.086 315 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 315 M C 2.062 178.229 176.300 -0.222 0.000 1.067 315 M CA 1.166 56.335 55.300 -0.218 0.000 1.116 315 M CB -0.003 32.416 32.600 -0.301 0.000 1.348 315 M HN 0.015 nan 8.290 nan 0.000 0.407 316 L N 1.079 122.196 121.223 -0.177 0.000 2.083 316 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 316 L C 2.162 178.942 176.870 -0.149 0.000 1.083 316 L CA 1.859 56.613 54.840 -0.143 0.000 0.752 316 L CB -0.912 41.083 42.059 -0.106 0.000 0.899 316 L HN 0.367 nan 8.230 nan 0.000 0.433 317 M N -1.095 118.420 119.600 -0.141 0.000 2.067 317 M HA -0.159 4.321 4.480 -0.000 0.000 0.260 317 M C 2.288 178.494 176.300 -0.158 0.000 1.069 317 M CA 1.693 56.920 55.300 -0.121 0.000 1.117 317 M CB -1.267 31.280 32.600 -0.088 0.000 1.334 317 M HN 0.175 nan 8.290 nan 0.000 0.407 318 V N -0.072 119.729 119.914 -0.189 0.000 2.343 318 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 318 V C 2.710 178.567 176.094 -0.394 0.000 1.051 318 V CA 1.832 63.990 62.300 -0.235 0.000 1.036 318 V CB -0.978 30.716 31.823 -0.214 0.000 0.654 318 V HN 0.668 nan 8.190 nan 0.000 0.451 319 C N 0.465 119.501 119.300 -0.440 0.000 2.413 319 C HA -0.211 4.249 4.460 -0.000 0.000 0.278 319 C C 2.573 177.067 174.990 -0.826 0.000 1.224 319 C CA 1.263 59.902 59.018 -0.632 0.000 1.732 319 C CB -1.287 26.038 27.740 -0.693 0.000 2.050 319 C HN 0.679 nan 8.230 nan 0.000 0.463 320 H N -0.135 118.687 119.070 -0.413 0.000 2.536 320 H HA 0.120 4.676 4.556 -0.000 0.000 0.276 320 H C 0.227 175.399 175.328 -0.260 0.000 1.019 320 H CA 0.867 56.712 56.048 -0.340 0.000 1.159 320 H CB -0.666 28.977 29.762 -0.200 0.000 1.373 320 H HN 0.689 nan 8.280 nan 0.000 0.584 321 H N -0.861 118.205 119.070 -0.007 0.000 2.770 321 H HA -0.157 4.399 4.556 -0.000 0.000 0.309 321 H C 0.128 175.465 175.328 0.015 0.000 1.206 321 H CA 0.367 56.411 56.048 -0.007 0.000 1.147 321 H CB -2.287 27.471 29.762 -0.006 0.000 1.422 321 H HN 0.331 nan 8.280 nan 0.000 0.420 322 L N 0.369 121.626 121.223 0.058 0.000 2.416 322 L HA 0.380 4.719 4.340 -0.000 0.000 0.262 322 L C 0.978 177.871 176.870 0.039 0.000 1.093 322 L CA -0.357 54.520 54.840 0.060 0.000 0.801 322 L CB 0.960 43.035 42.059 0.027 0.000 1.191 322 L HN 0.025 nan 8.230 nan 0.000 0.459 323 D N 1.690 122.117 120.400 0.045 0.000 2.381 323 D HA 0.235 4.875 4.640 -0.000 0.000 0.235 323 D C -1.828 174.487 176.300 0.024 0.000 1.068 323 D CA -1.899 52.119 54.000 0.031 0.000 0.832 323 D CB 2.217 43.038 40.800 0.034 0.000 1.101 323 D HN 0.184 nan 8.370 nan 0.000 0.515 324 P HA -0.020 nan 4.420 nan 0.000 0.230 324 P C 0.230 177.538 177.300 0.013 0.000 1.158 324 P CA 0.527 63.633 63.100 0.009 0.000 0.769 324 P CB 0.679 32.378 31.700 -0.002 0.000 0.807 325 D N -0.265 120.144 120.400 0.015 0.000 2.339 325 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 325 D C 0.740 177.051 176.300 0.019 0.000 1.050 325 D CA 0.272 54.281 54.000 0.015 0.000 0.856 325 D CB 0.553 41.360 40.800 0.012 0.000 0.922 325 D HN 0.313 nan 8.370 nan 0.000 0.518 326 I N 1.145 121.731 120.570 0.026 0.000 2.359 326 I HA 0.194 4.364 4.170 -0.000 0.000 0.284 326 I C 1.412 177.552 176.117 0.037 0.000 1.018 326 I CA -0.610 60.708 61.300 0.031 0.000 1.173 326 I CB 1.944 39.965 38.000 0.036 0.000 1.326 326 I HN -0.211 nan 8.210 nan 0.000 0.462 327 A N 4.913 127.753 122.820 0.033 0.000 1.903 327 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 327 A C 1.966 179.580 177.584 0.051 0.000 1.191 327 A CA 1.955 54.014 52.037 0.037 0.000 0.638 327 A CB -0.331 18.687 19.000 0.030 0.000 0.823 327 A HN 0.748 nan 8.150 nan 0.000 0.451 328 E N -0.034 120.195 120.200 0.049 0.000 2.204 328 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 328 E C 1.438 178.104 176.600 0.111 0.000 0.990 328 E CA 1.199 57.634 56.400 0.059 0.000 0.821 328 E CB -0.206 29.512 29.700 0.029 0.000 0.750 328 E HN 0.612 nan 8.360 nan 0.000 0.477 329 D N -0.913 119.554 120.400 0.111 0.000 2.162 329 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 329 D C 2.015 178.392 176.300 0.130 0.000 0.967 329 D CA 1.193 55.289 54.000 0.160 0.000 0.840 329 D CB -0.037 40.828 40.800 0.108 0.000 0.972 329 D HN 0.233 nan 8.370 nan 0.000 0.482 330 V N -0.869 119.092 119.914 0.079 0.000 2.548 330 V HA 0.031 4.151 4.120 -0.000 0.000 0.249 330 V C 2.166 178.300 176.094 0.067 0.000 1.055 330 V CA 1.518 63.848 62.300 0.049 0.000 1.065 330 V CB -0.865 30.978 31.823 0.033 0.000 0.681 330 V HN 0.086 nan 8.190 nan 0.000 0.462 331 A N -0.091 122.787 122.820 0.096 0.000 1.969 331 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 331 A C 2.063 179.747 177.584 0.166 0.000 1.169 331 A CA 1.671 53.771 52.037 0.105 0.000 0.635 331 A CB -0.785 18.270 19.000 0.090 0.000 0.810 331 A HN 0.635 nan 8.150 nan 0.000 0.445 332 F N 1.396 121.344 119.950 -0.003 0.000 2.113 332 F HA -0.044 4.482 4.527 -0.000 0.000 0.297 332 F C 2.454 178.241 175.800 -0.022 0.000 1.103 332 F CA 0.890 58.880 58.000 -0.017 0.000 1.248 332 F CB -1.065 37.919 39.000 -0.026 0.000 0.999 332 F HN 0.257 nan 8.300 nan 0.000 0.475 333 A N 0.332 123.095 122.820 -0.096 0.000 1.877 333 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 333 A C 2.168 179.703 177.584 -0.082 0.000 1.186 333 A CA 1.810 53.720 52.037 -0.213 0.000 0.620 333 A CB -0.997 17.913 19.000 -0.150 0.000 0.822 333 A HN 0.543 nan 8.150 nan 0.000 0.443 334 E N 0.185 120.379 120.200 -0.010 0.000 2.153 334 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 334 E C 2.237 178.841 176.600 0.007 0.000 0.988 334 E CA 1.314 57.719 56.400 0.009 0.000 0.811 334 E CB -0.185 29.536 29.700 0.035 0.000 0.746 334 E HN 0.797 nan 8.360 nan 0.000 0.466 335 S N 0.507 116.227 115.700 0.035 0.000 2.474 335 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 335 S C 1.798 176.364 174.600 -0.058 0.000 0.997 335 S CA 0.528 58.734 58.200 0.011 0.000 0.949 335 S CB -0.005 63.245 63.200 0.084 0.000 0.766 335 S HN 0.133 nan 8.310 nan 0.000 0.517 336 R N 0.037 120.508 120.500 -0.048 0.000 2.210 336 R HA 0.384 4.724 4.340 -0.000 0.000 0.203 336 R C -0.107 176.128 176.300 -0.108 0.000 1.010 336 R CA 0.396 56.448 56.100 -0.081 0.000 1.008 336 R CB 0.013 30.250 30.300 -0.105 0.000 0.923 336 R HN 0.439 nan 8.270 nan 0.000 0.469 337 I N 1.898 122.409 120.570 -0.098 0.000 2.307 337 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 337 I C -0.551 175.502 176.117 -0.106 0.000 1.054 337 I CA -0.214 61.021 61.300 -0.108 0.000 1.218 337 I CB 1.076 39.039 38.000 -0.061 0.000 1.398 337 I HN -0.131 nan 8.210 nan 0.000 0.475 338 R N 4.872 125.289 120.500 -0.139 0.000 2.476 338 R HA 0.368 4.708 4.340 -0.000 0.000 0.305 338 R C 0.884 177.115 176.300 -0.115 0.000 0.965 338 R CA -0.803 55.237 56.100 -0.101 0.000 0.867 338 R CB 2.097 32.289 30.300 -0.179 0.000 1.176 338 R HN 0.478 nan 8.270 nan 0.000 0.447 339 R N 1.807 122.263 120.500 -0.074 0.000 2.105 339 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 339 R C 0.558 176.727 176.300 -0.219 0.000 1.135 339 R CA 1.919 57.927 56.100 -0.153 0.000 0.967 339 R CB 0.279 30.571 30.300 -0.014 0.000 0.861 339 R HN 0.563 nan 8.270 nan 0.000 0.442 340 E N -0.447 119.709 120.200 -0.074 0.000 2.058 340 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 340 E C 2.028 178.571 176.600 -0.095 0.000 0.997 340 E CA 2.255 58.626 56.400 -0.048 0.000 0.801 340 E CB -0.337 29.403 29.700 0.067 0.000 0.746 340 E HN 0.585 nan 8.360 nan 0.000 0.450 341 T N -1.284 113.214 114.554 -0.094 0.000 2.942 341 T HA 0.026 4.376 4.350 -0.000 0.000 0.265 341 T C 2.013 176.612 174.700 -0.168 0.000 1.062 341 T CA 0.514 62.556 62.100 -0.097 0.000 1.139 341 T CB -0.312 68.520 68.868 -0.060 0.000 0.883 341 T HN 0.037 nan 8.240 nan 0.000 0.468 342 I N 1.888 122.307 120.570 -0.252 0.000 2.226 342 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 342 I C 3.187 179.062 176.117 -0.404 0.000 1.100 342 I CA 1.333 62.436 61.300 -0.328 0.000 1.374 342 I CB -0.567 37.177 38.000 -0.428 0.000 1.057 342 I HN 0.355 nan 8.210 nan 0.000 0.413 343 A N 0.614 123.102 122.820 -0.552 0.000 1.930 343 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 343 A C 2.523 180.018 177.584 -0.148 0.000 1.175 343 A CA 1.642 53.446 52.037 -0.389 0.000 0.627 343 A CB -0.700 18.110 19.000 -0.316 0.000 0.815 343 A HN 0.429 nan 8.150 nan 0.000 0.443 344 A N -0.313 122.419 122.820 -0.147 0.000 1.930 344 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 344 A C 1.980 179.460 177.584 -0.173 0.000 1.175 344 A CA 1.685 53.656 52.037 -0.110 0.000 0.627 344 A CB -0.539 18.411 19.000 -0.084 0.000 0.815 344 A HN 0.668 nan 8.150 nan 0.000 0.443 345 E N -0.035 120.020 120.200 -0.243 0.000 2.097 345 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 345 E C 1.213 177.660 176.600 -0.254 0.000 1.000 345 E CA 1.627 57.772 56.400 -0.425 0.000 0.804 345 E CB -0.160 29.355 29.700 -0.309 0.000 0.740 345 E HN 0.552 nan 8.360 nan 0.000 0.454 346 D N -0.197 120.163 120.400 -0.067 0.000 2.117 346 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 346 D C 2.047 178.390 176.300 0.070 0.000 0.987 346 D CA 1.137 55.172 54.000 0.058 0.000 0.829 346 D CB -0.209 40.645 40.800 0.089 0.000 0.961 346 D HN 0.119 nan 8.370 nan 0.000 0.460 347 V N 0.896 120.817 119.914 0.013 0.000 2.358 347 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 347 V C 2.599 178.695 176.094 0.002 0.000 1.047 347 V CA 1.012 63.330 62.300 0.029 0.000 1.035 347 V CB -0.457 31.374 31.823 0.014 0.000 0.658 347 V HN 0.200 nan 8.190 nan 0.000 0.452 348 L N -0.869 120.290 121.223 -0.106 0.000 2.191 348 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 348 L C 2.446 179.243 176.870 -0.121 0.000 1.103 348 L CA 1.604 56.361 54.840 -0.139 0.000 0.769 348 L CB -0.628 41.254 42.059 -0.295 0.000 0.908 348 L HN 0.426 nan 8.230 nan 0.000 0.438 349 H N -1.149 117.849 119.070 -0.120 0.000 2.363 349 H HA -0.171 4.385 4.556 -0.000 0.000 0.301 349 H C 1.932 177.189 175.328 -0.119 0.000 1.074 349 H CA 1.537 57.530 56.048 -0.092 0.000 1.354 349 H CB 0.218 29.929 29.762 -0.085 0.000 1.397 349 H HN 0.185 nan 8.280 nan 0.000 0.516 350 D N -0.009 120.492 120.400 0.168 0.000 2.178 350 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 350 D C 1.716 178.101 176.300 0.142 0.000 0.980 350 D CA 0.776 54.914 54.000 0.229 0.000 0.842 350 D CB -0.002 40.950 40.800 0.254 0.000 0.948 350 D HN 0.323 nan 8.370 nan 0.000 0.472 351 L N -1.448 119.831 121.223 0.093 0.000 2.418 351 L HA 0.201 4.541 4.340 -0.000 0.000 0.218 351 L C 1.644 178.564 176.870 0.083 0.000 1.125 351 L CA 0.604 55.497 54.840 0.089 0.000 0.835 351 L CB -0.070 42.027 42.059 0.064 0.000 0.953 351 L HN 0.258 nan 8.230 nan 0.000 0.454 352 G N -0.651 108.179 108.800 0.051 0.000 2.131 352 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.223 352 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.223 352 G C 0.855 175.784 174.900 0.048 0.000 0.990 352 G CA 0.314 45.441 45.100 0.046 0.000 0.671 352 G HN 0.383 nan 8.290 nan 0.000 0.521 353 A N -0.891 121.968 122.820 0.065 0.000 1.975 353 A HA 0.640 4.960 4.320 -0.000 0.000 0.215 353 A C 0.629 178.302 177.584 0.147 0.000 1.170 353 A CA 0.789 52.889 52.037 0.104 0.000 0.656 353 A CB 0.051 19.135 19.000 0.140 0.000 0.821 353 A HN 0.607 nan 8.150 nan 0.000 0.449 354 F N -0.091 119.717 119.950 -0.238 0.000 2.404 354 F HA 0.417 4.944 4.527 -0.000 0.000 0.354 354 F C 1.166 176.825 175.800 -0.235 0.000 1.122 354 F CA -0.763 57.022 58.000 -0.359 0.000 1.080 354 F CB 1.973 40.413 39.000 -0.933 0.000 1.131 354 F HN -0.037 nan 8.300 nan 0.000 0.471 355 S N 2.858 118.543 115.700 -0.024 0.000 2.517 355 S HA 0.316 4.786 4.470 -0.000 0.000 0.214 355 S C -0.158 174.471 174.600 0.048 0.000 0.991 355 S CA 0.128 58.328 58.200 -0.001 0.000 0.906 355 S CB 0.166 63.332 63.200 -0.056 0.000 0.789 355 S HN 0.264 nan 8.310 nan 0.000 0.513 356 L N 0.988 122.288 121.223 0.129 0.000 2.376 356 L HA 0.573 4.913 4.340 -0.000 0.000 0.258 356 L C -0.272 176.776 176.870 0.296 0.000 1.013 356 L CA -0.437 54.501 54.840 0.164 0.000 0.822 356 L CB 1.916 44.036 42.059 0.100 0.000 1.388 356 L HN -0.010 nan 8.230 nan 0.000 0.413 357 T N -2.106 112.572 114.554 0.207 0.000 2.893 357 T HA 0.924 5.274 4.350 -0.000 0.000 0.293 357 T C -0.456 174.318 174.700 0.123 0.000 1.027 357 T CA -0.546 61.648 62.100 0.157 0.000 0.988 357 T CB 1.818 70.703 68.868 0.028 0.000 1.043 357 T HN 0.779 nan 8.240 nan 0.000 0.461 358 S N 0.808 116.558 115.700 0.084 0.000 2.776 358 S HA 0.714 5.184 4.470 -0.000 0.000 0.292 358 S C 0.946 175.516 174.600 -0.050 0.000 1.187 358 S CA -0.082 58.138 58.200 0.033 0.000 0.834 358 S CB 1.198 64.440 63.200 0.071 0.000 1.199 358 S HN 1.114 nan 8.310 nan 0.000 0.514 359 S N 0.061 115.696 115.700 -0.107 0.000 2.431 359 S HA 0.247 4.717 4.470 -0.000 0.000 0.210 359 S C 0.312 174.752 174.600 -0.267 0.000 1.013 359 S CA 1.169 59.275 58.200 -0.158 0.000 0.920 359 S CB -0.759 62.355 63.200 -0.142 0.000 0.882 359 S HN 1.206 nan 8.310 nan 0.000 0.567 360 D N 1.424 121.597 120.400 -0.378 0.000 2.865 360 D HA -0.128 4.512 4.640 -0.000 0.000 0.231 360 D C -0.415 175.737 176.300 -0.247 0.000 1.069 360 D CA 0.726 54.399 54.000 -0.544 0.000 0.761 360 D CB -1.968 38.444 40.800 -0.646 0.000 1.081 360 D HN 0.675 nan 8.370 nan 0.000 0.440 361 S N 0.788 116.396 115.700 -0.154 0.000 3.225 361 S HA -0.062 4.408 4.470 -0.000 0.000 0.378 361 S C 1.048 175.550 174.600 -0.164 0.000 1.190 361 S CA 1.200 59.315 58.200 -0.143 0.000 1.104 361 S CB 0.589 63.707 63.200 -0.136 0.000 0.795 361 S HN 0.459 nan 8.310 nan 0.000 0.517 362 Q N 0.050 119.739 119.800 -0.185 0.000 2.468 362 Q HA -0.282 4.058 4.340 -0.000 0.000 0.256 362 Q C 0.325 176.140 176.000 -0.309 0.000 0.984 362 Q CA 1.055 56.739 55.803 -0.200 0.000 1.110 362 Q CB -2.071 26.597 28.738 -0.117 0.000 1.527 362 Q HN 1.270 nan 8.270 nan 0.000 0.535 363 A N 0.121 122.690 122.820 -0.419 0.000 3.292 363 A HA 0.580 4.900 4.320 -0.000 0.000 0.231 363 A C 0.450 177.774 177.584 -0.433 0.000 0.952 363 A CA 0.148 51.844 52.037 -0.568 0.000 1.044 363 A CB 0.439 18.754 19.000 -1.142 0.000 1.236 363 A HN 0.345 nan 8.150 nan 0.000 0.525 364 M N -1.383 118.011 119.600 -0.343 0.000 2.857 364 M HA -0.146 4.334 4.480 -0.000 0.000 0.228 364 M C 0.240 176.397 176.300 -0.238 0.000 0.474 364 M CA 0.889 56.021 55.300 -0.280 0.000 0.767 364 M CB -1.540 30.920 32.600 -0.233 0.000 2.826 364 M HN 1.163 nan 8.290 nan 0.000 0.633 365 G N 0.463 109.120 108.800 -0.238 0.000 2.632 365 G HA2 0.724 4.684 3.960 -0.000 0.000 0.292 365 G HA3 0.724 4.684 3.960 -0.000 0.000 0.292 365 G C -1.372 173.421 174.900 -0.178 0.000 1.465 365 G CA -1.090 43.889 45.100 -0.201 0.000 0.824 365 G HN 0.232 nan 8.290 nan 0.000 0.509 366 R N 1.423 121.833 120.500 -0.150 0.000 2.275 366 R HA 0.372 4.712 4.340 -0.000 0.000 0.326 366 R C 0.995 177.220 176.300 -0.125 0.000 0.973 366 R CA -0.719 55.299 56.100 -0.137 0.000 0.854 366 R CB 2.010 32.230 30.300 -0.133 0.000 1.156 366 R HN 0.314 nan 8.270 nan 0.000 0.487 367 V N 2.761 122.604 119.914 -0.118 0.000 2.546 367 V HA -0.170 3.950 4.120 -0.000 0.000 0.254 367 V C 1.419 177.458 176.094 -0.090 0.000 1.076 367 V CA 2.557 64.793 62.300 -0.106 0.000 1.087 367 V CB -0.068 31.698 31.823 -0.094 0.000 0.674 367 V HN 0.993 nan 8.190 nan 0.000 0.470 368 G N -1.437 107.309 108.800 -0.090 0.000 3.337 368 G HA2 0.147 4.107 3.960 -0.000 0.000 0.246 368 G HA3 0.147 4.107 3.960 -0.000 0.000 0.246 368 G C 0.724 175.575 174.900 -0.082 0.000 1.131 368 G CA 0.056 45.110 45.100 -0.076 0.000 0.773 368 G HN 0.600 nan 8.290 nan 0.000 0.544 369 E N 0.065 120.203 120.200 -0.102 0.000 2.734 369 E HA 0.151 4.501 4.350 -0.000 0.000 0.211 369 E C 1.423 177.950 176.600 -0.120 0.000 0.991 369 E CA -0.221 56.116 56.400 -0.106 0.000 1.065 369 E CB 1.161 30.790 29.700 -0.118 0.000 1.047 369 E HN 0.185 nan 8.360 nan 0.000 0.470 370 V N 0.750 120.579 119.914 -0.142 0.000 2.379 370 V HA -0.224 3.895 4.120 -0.000 0.000 0.245 370 V C 2.096 178.008 176.094 -0.302 0.000 1.044 370 V CA 1.469 63.662 62.300 -0.179 0.000 1.036 370 V CB -0.227 31.501 31.823 -0.158 0.000 0.664 370 V HN 0.370 nan 8.190 nan 0.000 0.453 371 I N -0.310 120.028 120.570 -0.387 0.000 2.193 371 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 371 I C 2.442 178.424 176.117 -0.225 0.000 1.084 371 I CA 1.512 62.473 61.300 -0.565 0.000 1.365 371 I CB -0.357 37.386 38.000 -0.429 0.000 1.064 371 I HN 0.284 nan 8.210 nan 0.000 0.410 372 L N 1.091 122.252 121.223 -0.103 0.000 2.013 372 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 372 L C 2.810 179.673 176.870 -0.012 0.000 1.073 372 L CA 1.763 56.595 54.840 -0.013 0.000 0.753 372 L CB -0.270 41.784 42.059 -0.008 0.000 0.890 372 L HN 0.161 nan 8.230 nan 0.000 0.432 373 R N -1.029 119.429 120.500 -0.069 0.000 2.115 373 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 373 R C 2.132 178.384 176.300 -0.080 0.000 1.100 373 R CA 1.661 57.727 56.100 -0.056 0.000 0.980 373 R CB -0.453 29.811 30.300 -0.061 0.000 0.875 373 R HN 0.412 nan 8.270 nan 0.000 0.445 374 T N -0.123 114.326 114.554 -0.174 0.000 2.720 374 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 374 T C 1.223 175.767 174.700 -0.260 0.000 1.037 374 T CA 1.351 63.310 62.100 -0.235 0.000 1.144 374 T CB -0.210 68.462 68.868 -0.326 0.000 0.864 374 T HN 0.447 nan 8.240 nan 0.000 0.444 375 W N 1.445 122.749 121.300 0.007 0.000 2.467 375 W HA 0.034 4.694 4.660 -0.000 0.000 0.275 375 W C 2.628 179.109 176.519 -0.064 0.000 1.239 375 W CA -0.059 57.259 57.345 -0.045 0.000 1.266 375 W CB -0.197 29.235 29.460 -0.046 0.000 1.112 375 W HN 0.301 nan 8.180 nan 0.000 0.576 376 Q N 0.003 119.883 119.800 0.132 0.000 2.119 376 Q HA -0.168 4.172 4.340 -0.000 0.000 0.201 376 Q C 2.131 178.187 176.000 0.095 0.000 0.972 376 Q CA 1.604 57.463 55.803 0.093 0.000 0.847 376 Q CB -0.452 28.314 28.738 0.048 0.000 0.903 376 Q HN 0.195 nan 8.270 nan 0.000 0.433 377 V N 0.902 120.838 119.914 0.037 0.000 2.358 377 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 377 V C 2.288 178.348 176.094 -0.057 0.000 1.047 377 V CA 1.768 64.093 62.300 0.043 0.000 1.035 377 V CB -1.014 30.863 31.823 0.090 0.000 0.658 377 V HN 0.382 nan 8.190 nan 0.000 0.452 378 A N -0.138 122.480 122.820 -0.336 0.000 1.908 378 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 378 A C 2.116 179.617 177.584 -0.138 0.000 1.181 378 A CA 2.543 54.210 52.037 -0.617 0.000 0.627 378 A CB -0.895 17.698 19.000 -0.679 0.000 0.818 378 A HN 0.794 nan 8.150 nan 0.000 0.445 379 H N -0.664 118.363 119.070 -0.070 0.000 2.293 379 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 379 H C 2.245 177.573 175.328 -0.000 0.000 1.082 379 H CA 1.960 58.000 56.048 -0.012 0.000 1.308 379 H CB -0.031 29.739 29.762 0.012 0.000 1.375 379 H HN 0.230 nan 8.280 nan 0.000 0.495 380 R N -0.214 120.310 120.500 0.039 0.000 2.120 380 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 380 R C 2.197 178.477 176.300 -0.032 0.000 1.123 380 R CA 1.207 57.304 56.100 -0.005 0.000 0.975 380 R CB -0.312 30.044 30.300 0.093 0.000 0.866 380 R HN 0.484 nan 8.270 nan 0.000 0.446 381 M N 0.269 119.866 119.600 -0.005 0.000 2.236 381 M HA -0.071 4.409 4.480 -0.000 0.000 0.266 381 M C 2.113 178.413 176.300 0.000 0.000 1.070 381 M CA 1.185 56.503 55.300 0.029 0.000 1.137 381 M CB -0.649 32.009 32.600 0.096 0.000 1.378 381 M HN 0.048 nan 8.290 nan 0.000 0.426 382 K N 0.481 120.855 120.400 -0.043 0.000 2.025 382 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 382 K C 1.836 178.398 176.600 -0.064 0.000 1.049 382 K CA 1.219 57.485 56.287 -0.035 0.000 0.933 382 K CB 0.044 32.521 32.500 -0.039 0.000 0.714 382 K HN 0.073 nan 8.250 nan 0.000 0.438 383 V N 1.610 121.435 119.914 -0.149 0.000 2.392 383 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 383 V C 2.232 178.291 176.094 -0.059 0.000 1.059 383 V CA 1.968 64.184 62.300 -0.139 0.000 1.051 383 V CB -0.407 31.271 31.823 -0.241 0.000 0.658 383 V HN 0.450 nan 8.190 nan 0.000 0.455 384 Q N -0.806 118.973 119.800 -0.036 0.000 2.259 384 Q HA 0.074 4.414 4.340 -0.000 0.000 0.201 384 Q C 2.018 178.025 176.000 0.011 0.000 0.938 384 Q CA 0.662 56.463 55.803 -0.003 0.000 0.872 384 Q CB 0.141 28.888 28.738 0.014 0.000 0.971 384 Q HN 0.579 nan 8.270 nan 0.000 0.494 385 R N -0.112 120.399 120.500 0.018 0.000 2.437 385 R HA 0.282 4.622 4.340 -0.000 0.000 0.257 385 R C 0.679 176.997 176.300 0.031 0.000 0.927 385 R CA 0.394 56.513 56.100 0.031 0.000 1.078 385 R CB 1.157 31.487 30.300 0.049 0.000 1.161 385 R HN 0.188 nan 8.270 nan 0.000 0.529 386 G N 1.840 110.653 108.800 0.022 0.000 2.569 386 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.259 386 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.259 386 G C -0.152 174.775 174.900 0.045 0.000 1.263 386 G CA -0.305 44.810 45.100 0.025 0.000 0.928 386 G HN 0.447 nan 8.290 nan 0.000 0.572 387 A N -0.550 122.297 122.820 0.045 0.000 2.407 387 A HA 0.626 4.946 4.320 -0.000 0.000 0.248 387 A C 0.828 178.457 177.584 0.076 0.000 1.082 387 A CA 0.159 52.234 52.037 0.064 0.000 0.785 387 A CB 0.127 19.155 19.000 0.047 0.000 1.020 387 A HN 1.167 nan 8.150 nan 0.000 0.489 388 L N 1.415 122.706 121.223 0.112 0.000 2.418 388 L HA 0.302 4.642 4.340 -0.000 0.000 0.265 388 L C 1.789 178.691 176.870 0.053 0.000 1.143 388 L CA -0.087 54.824 54.840 0.119 0.000 0.809 388 L CB 0.882 43.077 42.059 0.227 0.000 1.124 388 L HN 0.892 nan 8.230 nan 0.000 0.456 389 A N 1.349 124.183 122.820 0.023 0.000 2.131 389 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 389 A C 1.731 179.261 177.584 -0.091 0.000 1.158 389 A CA 1.480 53.504 52.037 -0.023 0.000 0.665 389 A CB -0.418 18.571 19.000 -0.019 0.000 0.795 389 A HN 0.874 nan 8.150 nan 0.000 0.460 390 E N 0.285 120.381 120.200 -0.173 0.000 2.474 390 E HA 0.065 4.415 4.350 -0.000 0.000 0.194 390 E C 0.185 176.610 176.600 -0.292 0.000 1.041 390 E CA -0.106 56.045 56.400 -0.414 0.000 0.874 390 E CB 0.168 29.203 29.700 -1.107 0.000 0.914 390 E HN 0.455 nan 8.360 nan 0.000 0.498 391 E N 0.672 120.828 120.200 -0.073 0.000 2.418 391 E HA 0.113 4.463 4.350 -0.000 0.000 0.261 391 E C -0.228 176.366 176.600 -0.010 0.000 1.070 391 E CA 0.463 56.877 56.400 0.024 0.000 0.931 391 E CB 1.224 30.968 29.700 0.072 0.000 0.954 391 E HN -0.111 nan 8.360 nan 0.000 0.439 392 T N 0.312 114.876 114.554 0.017 0.000 2.933 392 T HA 0.579 4.929 4.350 -0.000 0.000 0.305 392 T C -0.339 174.375 174.700 0.022 0.000 1.092 392 T CA 0.373 62.478 62.100 0.007 0.000 1.008 392 T CB 1.197 70.067 68.868 0.003 0.000 1.102 392 T HN 0.718 nan 8.240 nan 0.000 0.469 393 G N 3.068 111.875 108.800 0.011 0.000 2.828 393 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.463 393 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.463 393 G C -0.559 174.345 174.900 0.006 0.000 1.394 393 G CA -0.088 45.018 45.100 0.010 0.000 0.862 393 G HN 0.834 nan 8.290 nan 0.000 0.540 394 D N 1.264 121.660 120.400 -0.008 0.000 2.781 394 D HA 0.421 5.061 4.640 -0.000 0.000 0.254 394 D C 0.795 177.083 176.300 -0.020 0.000 1.213 394 D CA 0.303 54.287 54.000 -0.026 0.000 0.994 394 D CB -0.594 40.172 40.800 -0.057 0.000 1.019 394 D HN 0.715 nan 8.370 nan 0.000 0.514 395 N N -0.819 117.895 118.700 0.023 0.000 3.243 395 N HA 0.214 4.954 4.740 -0.000 0.000 0.280 395 N C -0.839 174.725 175.510 0.091 0.000 1.545 395 N CA -0.729 52.359 53.050 0.063 0.000 0.854 395 N CB 1.104 39.632 38.487 0.069 0.000 1.612 395 N HN -0.149 nan 8.380 nan 0.000 0.577 396 D N -0.551 119.917 120.400 0.113 0.000 2.538 396 D HA 0.127 4.767 4.640 -0.000 0.000 0.231 396 D C 0.159 176.520 176.300 0.102 0.000 1.229 396 D CA -0.208 53.861 54.000 0.115 0.000 0.828 396 D CB 0.076 40.945 40.800 0.114 0.000 1.035 396 D HN 0.348 nan 8.370 nan 0.000 0.495 397 N N 0.907 119.662 118.700 0.090 0.000 2.091 397 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 397 N C 1.384 176.937 175.510 0.071 0.000 1.021 397 N CA 0.867 53.955 53.050 0.064 0.000 0.862 397 N CB -0.394 38.133 38.487 0.067 0.000 1.018 397 N HN 0.259 nan 8.380 nan 0.000 0.429 398 F N 1.586 121.545 119.950 0.015 0.000 2.113 398 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 398 F C 2.495 178.320 175.800 0.041 0.000 1.103 398 F CA 1.133 59.123 58.000 -0.018 0.000 1.248 398 F CB -0.215 38.765 39.000 -0.032 0.000 0.999 398 F HN -0.087 nan 8.300 nan 0.000 0.475 399 R N -0.054 120.488 120.500 0.070 0.000 2.105 399 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 399 R C 2.000 178.403 176.300 0.173 0.000 1.135 399 R CA 1.785 57.963 56.100 0.130 0.000 0.967 399 R CB -0.571 29.845 30.300 0.194 0.000 0.861 399 R HN 0.295 nan 8.270 nan 0.000 0.442 400 V N 1.237 121.234 119.914 0.137 0.000 2.358 400 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 400 V C 2.125 178.348 176.094 0.214 0.000 1.047 400 V CA 1.977 64.443 62.300 0.277 0.000 1.035 400 V CB -0.355 31.524 31.823 0.094 0.000 0.658 400 V HN 0.380 nan 8.190 nan 0.000 0.452 401 K N -0.071 120.301 120.400 -0.046 0.000 2.057 401 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 401 K C 2.352 178.913 176.600 -0.066 0.000 1.050 401 K CA 1.548 57.784 56.287 -0.085 0.000 0.935 401 K CB -0.262 32.078 32.500 -0.266 0.000 0.715 401 K HN 0.355 nan 8.250 nan 0.000 0.439 402 R N 0.205 120.504 120.500 -0.335 0.000 2.081 402 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 402 R C 1.763 177.989 176.300 -0.123 0.000 1.131 402 R CA 1.581 57.545 56.100 -0.225 0.000 0.960 402 R CB -0.259 29.839 30.300 -0.337 0.000 0.856 402 R HN 0.186 nan 8.270 nan 0.000 0.436 403 Y N 0.247 120.471 120.300 -0.126 0.000 2.286 403 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 403 Y C 2.135 177.799 175.900 -0.393 0.000 1.124 403 Y CA 1.150 59.097 58.100 -0.256 0.000 1.178 403 Y CB -0.090 38.129 38.460 -0.400 0.000 1.010 403 Y HN 0.091 nan 8.280 nan 0.000 0.536 404 I N -0.476 120.039 120.570 -0.092 0.000 2.493 404 I HA -0.250 3.920 4.170 -0.000 0.000 0.254 404 I C 2.275 178.140 176.117 -0.419 0.000 1.160 404 I CA 1.127 62.259 61.300 -0.280 0.000 1.445 404 I CB -0.111 37.989 38.000 0.166 0.000 1.086 404 I HN 0.186 nan 8.210 nan 0.000 0.433 405 A N 0.579 123.303 122.820 -0.161 0.000 2.019 405 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 405 A C 2.193 179.682 177.584 -0.158 0.000 1.164 405 A CA 1.404 53.367 52.037 -0.123 0.000 0.644 405 A CB -0.439 18.526 19.000 -0.058 0.000 0.805 405 A HN 0.416 nan 8.150 nan 0.000 0.449 406 K N -1.318 118.979 120.400 -0.171 0.000 2.209 406 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 406 K C 1.017 177.639 176.600 0.038 0.000 1.048 406 K CA 1.721 57.971 56.287 -0.062 0.000 0.940 406 K CB -0.257 32.213 32.500 -0.050 0.000 0.729 406 K HN 0.925 nan 8.250 nan 0.000 0.451 407 Y N -1.797 118.499 120.300 -0.007 0.000 2.641 407 Y HA 0.283 4.833 4.550 -0.000 0.000 0.248 407 Y C 1.072 177.011 175.900 0.065 0.000 1.170 407 Y CA -0.247 57.866 58.100 0.021 0.000 1.201 407 Y CB -0.268 38.191 38.460 -0.001 0.000 1.232 407 Y HN -0.064 nan 8.280 nan 0.000 0.537 408 T N -2.815 111.722 114.554 -0.027 0.000 3.364 408 T HA 0.129 4.478 4.350 -0.000 0.000 0.179 408 T C 1.303 176.030 174.700 0.044 0.000 0.939 408 T CA 0.636 62.764 62.100 0.046 0.000 1.094 408 T CB -0.765 68.111 68.868 0.012 0.000 1.532 408 T HN 0.087 nan 8.240 nan 0.000 0.346 409 I N 3.029 123.603 120.570 0.007 0.000 2.252 409 I HA -0.007 4.163 4.170 -0.000 0.000 0.245 409 I C 1.899 177.980 176.117 -0.060 0.000 1.102 409 I CA 1.380 62.663 61.300 -0.030 0.000 1.385 409 I CB -0.804 37.104 38.000 -0.153 0.000 1.064 409 I HN 0.253 nan 8.210 nan 0.000 0.414 410 N N 0.781 119.435 118.700 -0.077 0.000 2.120 410 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 410 N C -0.795 174.691 175.510 -0.041 0.000 1.024 410 N CA 1.701 54.706 53.050 -0.074 0.000 0.852 410 N CB -1.805 36.636 38.487 -0.077 0.000 1.003 410 N HN 0.324 nan 8.380 nan 0.000 0.424 411 P HA 0.013 nan 4.420 nan 0.000 0.219 411 P C 0.961 178.294 177.300 0.055 0.000 1.150 411 P CA 1.212 64.342 63.100 0.050 0.000 0.814 411 P CB 0.019 31.773 31.700 0.089 0.000 0.787 412 A N -0.684 122.154 122.820 0.029 0.000 1.898 412 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 412 A C 2.151 179.740 177.584 0.009 0.000 1.181 412 A CA 1.251 53.298 52.037 0.017 0.000 0.620 412 A CB -1.567 17.450 19.000 0.028 0.000 0.819 412 A HN 0.099 nan 8.150 nan 0.000 0.442 413 L N -0.767 120.448 121.223 -0.014 0.000 2.056 413 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 413 L C 2.781 179.617 176.870 -0.058 0.000 1.078 413 L CA 1.731 56.551 54.840 -0.032 0.000 0.749 413 L CB -0.892 41.131 42.059 -0.059 0.000 0.901 413 L HN 0.329 nan 8.230 nan 0.000 0.433 414 T N -2.042 112.463 114.554 -0.081 0.000 2.720 414 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 414 T C 1.490 176.044 174.700 -0.243 0.000 1.037 414 T CA 1.220 63.218 62.100 -0.170 0.000 1.144 414 T CB -0.253 68.478 68.868 -0.229 0.000 0.864 414 T HN 0.371 nan 8.240 nan 0.000 0.444 415 H N -0.276 118.756 119.070 -0.064 0.000 2.520 415 H HA 0.336 4.892 4.556 -0.000 0.000 0.284 415 H C 1.603 176.892 175.328 -0.066 0.000 1.037 415 H CA 0.331 56.347 56.048 -0.053 0.000 1.168 415 H CB 0.082 29.815 29.762 -0.048 0.000 1.497 415 H HN 0.506 nan 8.280 nan 0.000 0.547 416 G N 2.362 111.163 108.800 0.001 0.000 2.246 416 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 416 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 416 G C 0.860 175.828 174.900 0.114 0.000 1.055 416 G CA 0.731 45.853 45.100 0.036 0.000 0.851 416 G HN 0.641 nan 8.290 nan 0.000 0.500 417 I N -4.223 116.367 120.570 0.034 0.000 4.240 417 I HA 0.647 4.817 4.170 -0.000 0.000 0.331 417 I C 1.860 177.968 176.117 -0.016 0.000 1.381 417 I CA 0.419 61.672 61.300 -0.077 0.000 1.136 417 I CB 0.238 37.892 38.000 -0.575 0.000 1.137 417 I HN 0.135 nan 8.210 nan 0.000 0.411 418 A N 2.008 124.881 122.820 0.089 0.000 2.178 418 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 418 A C 2.016 179.676 177.584 0.127 0.000 1.157 418 A CA 1.909 53.996 52.037 0.085 0.000 0.689 418 A CB -1.357 17.684 19.000 0.068 0.000 0.787 418 A HN 0.867 nan 8.150 nan 0.000 0.465 419 H N -2.969 116.139 119.070 0.064 0.000 2.547 419 H HA 0.202 4.758 4.556 -0.000 0.000 0.272 419 H C 1.438 176.828 175.328 0.104 0.000 0.989 419 H CA 0.975 57.067 56.048 0.074 0.000 1.214 419 H CB 0.204 30.005 29.762 0.064 0.000 1.389 419 H HN 0.409 nan 8.280 nan 0.000 0.577 420 E N 0.913 120.976 120.200 -0.229 0.000 2.332 420 E HA 0.139 4.489 4.350 -0.000 0.000 0.202 420 E C 0.801 177.429 176.600 0.046 0.000 0.877 420 E CA 0.857 57.197 56.400 -0.100 0.000 0.979 420 E CB 1.241 30.883 29.700 -0.096 0.000 0.969 420 E HN 0.393 nan 8.360 nan 0.000 0.495 421 V N -4.531 115.427 119.914 0.073 0.000 3.084 421 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 421 V C 0.889 177.052 176.094 0.115 0.000 1.311 421 V CA -0.150 62.221 62.300 0.120 0.000 1.062 421 V CB 1.151 33.076 31.823 0.170 0.000 1.113 421 V HN 0.276 nan 8.190 nan 0.000 0.468 422 G N -0.062 108.821 108.800 0.138 0.000 2.259 422 G HA2 0.048 4.008 3.960 -0.000 0.000 0.217 422 G HA3 0.048 4.008 3.960 -0.000 0.000 0.217 422 G C 0.288 175.301 174.900 0.189 0.000 1.001 422 G CA 0.676 45.859 45.100 0.138 0.000 0.627 422 G HN 2.436 nan 8.290 nan 0.000 0.501 423 S N -1.087 114.746 115.700 0.221 0.000 2.611 423 S HA 0.671 5.141 4.470 -0.000 0.000 0.268 423 S C -0.734 174.033 174.600 0.278 0.000 1.156 423 S CA -0.702 57.677 58.200 0.298 0.000 0.817 423 S CB 1.325 64.789 63.200 0.440 0.000 1.122 423 S HN 0.765 nan 8.310 nan 0.000 0.466 424 I N 1.621 122.401 120.570 0.350 0.000 2.241 424 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 424 I C -0.146 176.142 176.117 0.286 0.000 1.145 424 I CA 0.231 61.725 61.300 0.324 0.000 1.261 424 I CB -0.215 38.008 38.000 0.371 0.000 1.475 424 I HN 0.576 nan 8.210 nan 0.000 0.533 425 E N 4.271 124.557 120.200 0.143 0.000 2.331 425 E HA 0.328 4.678 4.350 -0.000 0.000 0.275 425 E C -0.667 175.937 176.600 0.007 0.000 0.895 425 E CA -1.022 55.380 56.400 0.003 0.000 0.753 425 E CB 3.107 32.805 29.700 -0.003 0.000 1.216 425 E HN 0.291 nan 8.360 nan 0.000 0.434 426 V N 0.130 120.012 119.914 -0.054 0.000 2.814 426 V HA 0.299 4.419 4.120 -0.000 0.000 0.307 426 V C 1.131 177.222 176.094 -0.006 0.000 1.089 426 V CA 1.038 63.312 62.300 -0.044 0.000 1.212 426 V CB 0.041 31.790 31.823 -0.122 0.000 0.912 426 V HN 1.053 nan 8.190 nan 0.000 0.497 427 G N 2.624 111.438 108.800 0.024 0.000 2.225 427 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 427 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 427 G C 0.312 175.250 174.900 0.063 0.000 0.988 427 G CA 0.495 45.623 45.100 0.045 0.000 0.625 427 G HN 0.913 nan 8.290 nan 0.000 0.527 428 K N 0.023 120.465 120.400 0.069 0.000 2.118 428 K HA 0.562 4.882 4.320 -0.000 0.000 0.264 428 K C 0.343 176.994 176.600 0.085 0.000 1.000 428 K CA -0.938 55.397 56.287 0.080 0.000 0.929 428 K CB 1.557 34.116 32.500 0.098 0.000 1.021 428 K HN 0.148 nan 8.250 nan 0.000 0.463 429 L N 1.974 123.243 121.223 0.078 0.000 2.525 429 L HA -0.047 4.293 4.340 -0.000 0.000 0.278 429 L C 0.078 177.003 176.870 0.092 0.000 1.218 429 L CA 0.769 55.653 54.840 0.075 0.000 0.878 429 L CB 0.422 42.519 42.059 0.062 0.000 1.127 429 L HN 0.760 nan 8.230 nan 0.000 0.492 430 A N 3.898 126.771 122.820 0.089 0.000 3.052 430 A HA 0.142 4.462 4.320 -0.000 0.000 0.266 430 A C -0.322 177.317 177.584 0.091 0.000 1.855 430 A CA -0.335 51.760 52.037 0.095 0.000 1.473 430 A CB -1.187 17.866 19.000 0.089 0.000 1.038 430 A HN 0.690 nan 8.150 nan 0.000 0.619 431 D N 1.466 121.927 120.400 0.103 0.000 2.456 431 D HA 0.502 5.142 4.640 -0.000 0.000 0.219 431 D C -0.248 176.119 176.300 0.111 0.000 1.126 431 D CA 0.437 54.497 54.000 0.101 0.000 0.890 431 D CB 0.769 41.638 40.800 0.115 0.000 1.025 431 D HN 0.410 nan 8.370 nan 0.000 0.511 432 L N 0.837 122.113 121.223 0.088 0.000 2.341 432 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 432 L C -0.427 176.460 176.870 0.029 0.000 1.009 432 L CA -1.255 53.640 54.840 0.091 0.000 0.819 432 L CB 2.309 44.425 42.059 0.096 0.000 1.323 432 L HN -0.123 nan 8.230 nan 0.000 0.425 433 V N 1.924 121.843 119.914 0.009 0.000 2.531 433 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 433 V C -0.325 175.612 176.094 -0.261 0.000 1.034 433 V CA -0.672 61.502 62.300 -0.210 0.000 0.865 433 V CB 2.254 33.879 31.823 -0.330 0.000 0.995 433 V HN 0.419 nan 8.190 nan 0.000 0.424 434 V N 3.944 123.676 119.914 -0.303 0.000 2.394 434 V HA 0.531 4.651 4.120 -0.000 0.000 0.282 434 V C -0.846 175.147 176.094 -0.169 0.000 1.031 434 V CA -0.480 61.750 62.300 -0.118 0.000 0.881 434 V CB 1.338 33.147 31.823 -0.024 0.000 0.982 434 V HN 0.915 nan 8.190 nan 0.000 0.451 435 W N 1.872 123.261 121.300 0.148 0.000 2.864 435 W HA 0.663 5.322 4.660 -0.000 0.000 0.343 435 W C 0.214 176.832 176.519 0.164 0.000 1.109 435 W CA -0.709 56.740 57.345 0.173 0.000 1.192 435 W CB 1.736 31.363 29.460 0.278 0.000 1.426 435 W HN 0.439 nan 8.180 nan 0.000 0.529 436 S N 1.791 117.758 115.700 0.445 0.000 2.480 436 S HA 0.330 4.800 4.470 -0.000 0.000 0.286 436 S C -1.563 173.229 174.600 0.320 0.000 1.180 436 S CA -1.454 56.939 58.200 0.321 0.000 1.075 436 S CB 1.099 64.494 63.200 0.325 0.000 0.996 436 S HN 0.199 nan 8.310 nan 0.000 0.487 437 P HA -0.136 nan 4.420 nan 0.000 0.217 437 P C 1.048 178.358 177.300 0.017 0.000 1.148 437 P CA 1.587 64.715 63.100 0.047 0.000 0.834 437 P CB 0.074 31.759 31.700 -0.025 0.000 0.783 438 A N -2.570 120.285 122.820 0.058 0.000 2.119 438 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 438 A C 1.202 178.590 177.584 -0.326 0.000 1.153 438 A CA 1.043 53.005 52.037 -0.125 0.000 0.692 438 A CB -1.115 17.794 19.000 -0.153 0.000 0.799 438 A HN 0.173 nan 8.150 nan 0.000 0.458 439 F N -2.354 117.662 119.950 0.109 0.000 2.735 439 F HA 0.327 4.854 4.527 -0.000 0.000 0.308 439 F C 0.197 175.973 175.800 -0.040 0.000 1.112 439 F CA -1.311 56.702 58.000 0.021 0.000 1.235 439 F CB 0.053 39.133 39.000 0.133 0.000 1.027 439 F HN 0.153 nan 8.300 nan 0.000 0.528 440 F N 1.605 121.467 119.950 -0.147 0.000 2.612 440 F HA 0.361 4.887 4.527 -0.000 0.000 0.389 440 F C 1.338 176.680 175.800 -0.763 0.000 1.055 440 F CA 1.014 58.695 58.000 -0.531 0.000 1.232 440 F CB 0.400 39.039 39.000 -0.602 0.000 1.044 440 F HN 0.336 nan 8.300 nan 0.000 0.560 441 G N 3.395 110.886 108.800 -2.183 0.000 2.184 441 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 441 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 441 G C 0.487 175.125 174.900 -0.437 0.000 0.975 441 G CA 0.425 44.703 45.100 -1.370 0.000 0.642 441 G HN 0.771 nan 8.290 nan 0.000 0.536 442 V N -0.762 119.023 119.914 -0.216 0.000 2.950 442 V HA 0.385 4.505 4.120 -0.000 0.000 0.231 442 V C 0.945 177.160 176.094 0.201 0.000 1.205 442 V CA 1.716 64.000 62.300 -0.027 0.000 1.239 442 V CB 0.512 32.094 31.823 -0.401 0.000 1.050 442 V HN 0.262 nan 8.190 nan 0.000 0.498 443 K N 1.160 121.758 120.400 0.330 0.000 2.613 443 K HA 0.454 4.774 4.320 -0.000 0.000 0.248 443 K C -2.938 173.892 176.600 0.384 0.000 0.959 443 K CA -1.609 54.872 56.287 0.324 0.000 0.855 443 K CB 2.644 35.294 32.500 0.250 0.000 1.143 443 K HN 0.142 nan 8.250 nan 0.000 0.437 444 P HA 0.092 nan 4.420 nan 0.000 0.274 444 P C -0.115 177.191 177.300 0.009 0.000 1.231 444 P CA -0.150 62.858 63.100 -0.155 0.000 0.790 444 P CB 1.198 32.592 31.700 -0.509 0.000 0.951 445 A N 1.707 124.489 122.820 -0.064 0.000 1.984 445 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 445 A C 0.510 178.041 177.584 -0.089 0.000 1.173 445 A CA 1.456 53.453 52.037 -0.066 0.000 0.673 445 A CB -0.353 18.639 19.000 -0.014 0.000 0.830 445 A HN 0.545 nan 8.150 nan 0.000 0.453 446 T N -0.751 113.735 114.554 -0.114 0.000 3.041 446 T HA 0.487 4.837 4.350 -0.000 0.000 0.321 446 T C -1.408 173.217 174.700 -0.125 0.000 1.184 446 T CA -0.363 61.684 62.100 -0.088 0.000 1.050 446 T CB 1.933 70.766 68.868 -0.058 0.000 1.159 446 T HN -0.011 nan 8.240 nan 0.000 0.469 447 V N 4.297 124.168 119.914 -0.073 0.000 2.349 447 V HA 0.491 4.611 4.120 -0.000 0.000 0.284 447 V C -0.300 175.781 176.094 -0.022 0.000 1.014 447 V CA -0.713 61.543 62.300 -0.074 0.000 0.826 447 V CB 1.003 32.790 31.823 -0.060 0.000 1.009 447 V HN 0.769 nan 8.190 nan 0.000 0.431 448 I N 5.007 125.570 120.570 -0.011 0.000 2.331 448 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 448 I C 0.227 176.367 176.117 0.038 0.000 0.998 448 I CA -0.396 60.915 61.300 0.019 0.000 1.267 448 I CB 1.141 39.156 38.000 0.026 0.000 1.386 448 I HN 0.370 nan 8.210 nan 0.000 0.476 449 K N 4.562 124.989 120.400 0.045 0.000 2.394 449 K HA 0.332 4.652 4.320 -0.000 0.000 0.260 449 K C 0.446 177.083 176.600 0.061 0.000 0.967 449 K CA -0.310 56.010 56.287 0.055 0.000 0.855 449 K CB 1.790 34.322 32.500 0.053 0.000 1.101 449 K HN 0.920 nan 8.250 nan 0.000 0.433 450 G N 2.060 110.899 108.800 0.065 0.000 2.283 450 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 450 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 450 G C 0.711 175.657 174.900 0.077 0.000 1.029 450 G CA 0.918 46.061 45.100 0.070 0.000 0.840 450 G HN 1.074 nan 8.290 nan 0.000 0.505 451 G N -2.087 106.752 108.800 0.065 0.000 2.176 451 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 451 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 451 G C 0.193 175.117 174.900 0.039 0.000 0.979 451 G CA 0.888 46.020 45.100 0.053 0.000 0.641 451 G HN 1.169 nan 8.290 nan 0.000 0.530 452 M N 0.337 119.965 119.600 0.046 0.000 2.393 452 M HA 0.498 4.978 4.480 -0.000 0.000 0.299 452 M C 0.221 176.549 176.300 0.046 0.000 1.103 452 M CA -0.847 54.479 55.300 0.043 0.000 0.910 452 M CB 2.218 34.849 32.600 0.052 0.000 1.659 452 M HN 0.066 nan 8.290 nan 0.000 0.445 453 I N 2.113 122.710 120.570 0.045 0.000 2.668 453 I HA -0.011 4.159 4.170 -0.000 0.000 0.285 453 I C 0.961 177.102 176.117 0.040 0.000 1.168 453 I CA 0.231 61.552 61.300 0.034 0.000 1.424 453 I CB 0.895 38.914 38.000 0.030 0.000 1.377 453 I HN 0.891 nan 8.210 nan 0.000 0.560 454 A N 7.209 130.044 122.820 0.026 0.000 2.085 454 A HA 0.433 4.753 4.320 -0.000 0.000 0.208 454 A C 0.616 178.204 177.584 0.007 0.000 1.191 454 A CA 0.473 52.522 52.037 0.020 0.000 0.799 454 A CB 0.460 19.477 19.000 0.027 0.000 0.877 454 A HN 0.651 nan 8.150 nan 0.000 0.473 455 I N -1.733 118.847 120.570 0.016 0.000 2.787 455 I HA 0.599 4.769 4.170 -0.000 0.000 0.294 455 I C -1.382 174.770 176.117 0.058 0.000 1.365 455 I CA -0.466 60.858 61.300 0.041 0.000 1.029 455 I CB 2.181 40.226 38.000 0.075 0.000 1.313 455 I HN 0.244 nan 8.210 nan 0.000 0.431 456 A N 5.980 128.821 122.820 0.036 0.000 2.601 456 A HA 0.844 5.164 4.320 -0.000 0.000 0.291 456 A C -3.099 174.303 177.584 -0.303 0.000 1.075 456 A CA -1.234 50.762 52.037 -0.069 0.000 0.671 456 A CB 1.685 20.629 19.000 -0.093 0.000 1.277 456 A HN 0.311 nan 8.150 nan 0.000 0.417 457 P HA 0.515 nan 4.420 nan 0.000 0.276 457 P C -0.784 176.278 177.300 -0.398 0.000 1.230 457 P CA 0.091 62.746 63.100 -0.741 0.000 0.776 457 P CB 0.602 31.887 31.700 -0.693 0.000 0.888 458 M N 2.956 122.333 119.600 -0.371 0.000 2.324 458 M HA 0.604 5.083 4.480 -0.000 0.000 0.288 458 M C -0.243 175.891 176.300 -0.276 0.000 1.097 458 M CA -0.370 54.764 55.300 -0.277 0.000 0.928 458 M CB 1.576 34.028 32.600 -0.248 0.000 1.648 458 M HN 0.409 nan 8.290 nan 0.000 0.460 459 G N 1.225 109.916 108.800 -0.181 0.000 2.510 459 G HA2 0.271 4.231 3.960 -0.000 0.000 0.280 459 G HA3 0.271 4.231 3.960 -0.000 0.000 0.280 459 G C -0.881 173.958 174.900 -0.102 0.000 1.386 459 G CA -0.580 44.443 45.100 -0.129 0.000 1.047 459 G HN 0.740 nan 8.290 nan 0.000 0.527 460 D N -0.174 120.194 120.400 -0.055 0.000 2.772 460 D HA -0.108 4.532 4.640 -0.000 0.000 0.227 460 D C 1.686 177.962 176.300 -0.039 0.000 1.114 460 D CA -0.200 53.782 54.000 -0.031 0.000 0.832 460 D CB 0.302 41.092 40.800 -0.016 0.000 1.154 460 D HN 0.040 nan 8.370 nan 0.000 0.514 461 I N 3.647 124.195 120.570 -0.036 0.000 2.493 461 I HA -0.194 3.976 4.170 -0.000 0.000 0.254 461 I C 1.827 177.932 176.117 -0.020 0.000 1.160 461 I CA 0.898 62.177 61.300 -0.035 0.000 1.445 461 I CB -1.102 36.878 38.000 -0.033 0.000 1.086 461 I HN 0.441 nan 8.210 nan 0.000 0.433 462 N N 0.959 119.651 118.700 -0.013 0.000 2.336 462 N HA 0.142 4.882 4.740 -0.000 0.000 0.189 462 N C 0.623 176.128 175.510 -0.008 0.000 1.113 462 N CA 0.083 53.129 53.050 -0.007 0.000 0.858 462 N CB 0.267 38.752 38.487 -0.003 0.000 0.970 462 N HN 0.254 nan 8.380 nan 0.000 0.471 463 A N -0.494 122.318 122.820 -0.012 0.000 2.386 463 A HA 0.252 4.572 4.320 -0.000 0.000 0.246 463 A C 1.326 178.904 177.584 -0.010 0.000 1.089 463 A CA 0.163 52.193 52.037 -0.012 0.000 0.790 463 A CB 0.089 19.078 19.000 -0.018 0.000 1.042 463 A HN 0.465 nan 8.150 nan 0.000 0.497 464 S N -0.409 115.286 115.700 -0.009 0.000 2.561 464 S HA 0.233 4.703 4.470 -0.000 0.000 0.225 464 S C 0.490 175.086 174.600 -0.007 0.000 0.977 464 S CA 0.862 59.058 58.200 -0.007 0.000 0.926 464 S CB -1.045 62.152 63.200 -0.006 0.000 0.769 464 S HN 0.862 nan 8.310 nan 0.000 0.533 465 I N -3.667 116.896 120.570 -0.012 0.000 3.093 465 I HA 0.426 4.596 4.170 -0.000 0.000 0.308 465 I C -2.661 173.442 176.117 -0.023 0.000 1.303 465 I CA -2.555 58.738 61.300 -0.013 0.000 0.975 465 I CB 1.670 39.662 38.000 -0.013 0.000 1.286 465 I HN -0.370 nan 8.210 nan 0.000 0.459 466 P HA -0.019 nan 4.420 nan 0.000 0.245 466 P C 1.024 178.286 177.300 -0.063 0.000 1.212 466 P CA 0.946 64.018 63.100 -0.047 0.000 0.774 466 P CB 0.070 31.743 31.700 -0.046 0.000 0.999 467 T N -4.192 110.331 114.554 -0.051 0.000 3.035 467 T HA 0.182 4.532 4.350 -0.000 0.000 0.259 467 T C -1.482 173.188 174.700 -0.051 0.000 1.078 467 T CA -0.320 61.747 62.100 -0.056 0.000 1.132 467 T CB -1.990 66.852 68.868 -0.043 0.000 0.900 467 T HN 0.125 nan 8.240 nan 0.000 0.480 468 P HA 0.177 nan 4.420 nan 0.000 0.268 468 P C 0.121 177.403 177.300 -0.030 0.000 1.208 468 P CA -0.164 62.918 63.100 -0.029 0.000 0.777 468 P CB 0.357 32.045 31.700 -0.021 0.000 0.875 469 Q N 2.583 122.373 119.800 -0.017 0.000 2.417 469 Q HA 0.202 4.542 4.340 -0.000 0.000 0.241 469 Q C -1.908 174.099 176.000 0.012 0.000 1.008 469 Q CA -1.181 54.620 55.803 -0.004 0.000 0.901 469 Q CB -0.447 28.292 28.738 0.002 0.000 1.259 469 Q HN 0.397 nan 8.270 nan 0.000 0.489 470 P HA 0.194 nan 4.420 nan 0.000 0.292 470 P C -0.818 176.531 177.300 0.082 0.000 1.287 470 P CA -0.334 62.814 63.100 0.081 0.000 0.800 470 P CB 0.882 32.660 31.700 0.130 0.000 0.945 471 V N 5.658 125.588 119.914 0.028 0.000 2.348 471 V HA 0.295 4.415 4.120 -0.000 0.000 0.270 471 V C 0.285 176.370 176.094 -0.015 0.000 1.037 471 V CA -0.087 62.169 62.300 -0.073 0.000 0.872 471 V CB -0.291 31.458 31.823 -0.122 0.000 1.002 471 V HN 0.826 nan 8.190 nan 0.000 0.464 472 H N 2.141 121.145 119.070 -0.110 0.000 2.985 472 H HA 0.650 5.206 4.556 -0.000 0.000 0.360 472 H C -1.454 173.808 175.328 -0.111 0.000 1.221 472 H CA -1.176 54.839 56.048 -0.056 0.000 1.121 472 H CB 0.813 30.601 29.762 0.042 0.000 1.854 472 H HN 0.349 nan 8.280 nan 0.000 0.551 473 Y N 1.205 121.541 120.300 0.060 0.000 2.544 473 Y HA 0.256 4.806 4.550 -0.000 0.000 0.330 473 Y C 0.586 176.477 175.900 -0.015 0.000 1.136 473 Y CA 0.265 58.359 58.100 -0.010 0.000 1.417 473 Y CB 0.473 38.944 38.460 0.019 0.000 1.229 473 Y HN 0.377 nan 8.280 nan 0.000 0.532 474 R N 4.279 124.780 120.500 0.002 0.000 2.744 474 R HA 0.439 4.779 4.340 -0.000 0.000 0.279 474 R C -2.953 173.326 176.300 -0.034 0.000 0.977 474 R CA -2.340 53.742 56.100 -0.031 0.000 0.906 474 R CB 1.550 31.763 30.300 -0.146 0.000 1.197 474 R HN 0.323 nan 8.270 nan 0.000 0.463 475 P HA 0.067 nan 4.420 nan 0.000 0.271 475 P C -0.464 176.750 177.300 -0.145 0.000 1.216 475 P CA 0.149 63.213 63.100 -0.061 0.000 0.771 475 P CB 0.637 32.305 31.700 -0.054 0.000 0.864 476 M N 1.677 121.194 119.600 -0.138 0.000 2.872 476 M HA 0.334 4.814 4.480 -0.000 0.000 0.290 476 M C 1.309 177.472 176.300 -0.229 0.000 1.180 476 M CA -0.742 54.416 55.300 -0.236 0.000 0.839 476 M CB -0.315 32.226 32.600 -0.098 0.000 1.667 476 M HN 0.208 nan 8.290 nan 0.000 0.512 477 F N 0.809 120.741 119.950 -0.030 0.000 2.192 477 F HA -0.093 4.434 4.527 -0.000 0.000 0.301 477 F C 2.254 178.034 175.800 -0.034 0.000 1.079 477 F CA 1.725 59.705 58.000 -0.034 0.000 1.303 477 F CB -1.190 37.787 39.000 -0.038 0.000 1.024 477 F HN 0.755 nan 8.300 nan 0.000 0.494 478 G N -0.892 107.986 108.800 0.130 0.000 2.625 478 G HA2 0.072 4.032 3.960 -0.000 0.000 0.214 478 G HA3 0.072 4.032 3.960 -0.000 0.000 0.214 478 G C 1.431 176.352 174.900 0.035 0.000 1.132 478 G CA 0.606 45.752 45.100 0.075 0.000 0.782 478 G HN 0.445 nan 8.290 nan 0.000 0.538 479 A N -0.275 122.551 122.820 0.009 0.000 2.470 479 A HA 0.601 4.921 4.320 -0.000 0.000 0.251 479 A C 0.564 178.124 177.584 -0.039 0.000 1.245 479 A CA -0.352 51.677 52.037 -0.013 0.000 0.932 479 A CB 0.209 19.199 19.000 -0.017 0.000 1.037 479 A HN 0.233 nan 8.150 nan 0.000 0.522 480 L N -0.367 120.836 121.223 -0.034 0.000 2.325 480 L HA 0.468 4.808 4.340 -0.000 0.000 0.279 480 L C 1.730 178.535 176.870 -0.109 0.000 1.054 480 L CA -0.181 54.629 54.840 -0.050 0.000 0.804 480 L CB 1.067 43.129 42.059 0.004 0.000 1.200 480 L HN 0.502 nan 8.230 nan 0.000 0.436 481 G N 2.068 110.780 108.800 -0.146 0.000 2.808 481 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.470 481 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.470 481 G C 1.161 175.760 174.900 -0.503 0.000 1.041 481 G CA 1.142 46.089 45.100 -0.256 0.000 0.839 481 G HN 0.648 nan 8.290 nan 0.000 0.825 482 S N 0.714 116.254 115.700 -0.267 0.000 2.423 482 S HA 0.120 4.590 4.470 -0.000 0.000 0.231 482 S C 2.718 177.287 174.600 -0.053 0.000 1.014 482 S CA 1.633 59.749 58.200 -0.141 0.000 0.965 482 S CB -0.440 62.776 63.200 0.027 0.000 0.785 482 S HN 1.074 nan 8.310 nan 0.000 0.495 483 A N 1.994 124.780 122.820 -0.055 0.000 1.902 483 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 483 A C 2.097 179.700 177.584 0.032 0.000 1.181 483 A CA 1.278 53.315 52.037 0.000 0.000 0.623 483 A CB -0.494 18.515 19.000 0.014 0.000 0.818 483 A HN 0.395 nan 8.150 nan 0.000 0.443 484 R N -0.774 119.698 120.500 -0.047 0.000 2.073 484 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 484 R C 1.967 178.303 176.300 0.060 0.000 1.134 484 R CA 1.927 58.015 56.100 -0.021 0.000 0.952 484 R CB -0.586 29.662 30.300 -0.087 0.000 0.850 484 R HN 0.797 nan 8.270 nan 0.000 0.433 485 H N -2.021 117.076 119.070 0.044 0.000 2.390 485 H HA -0.194 4.362 4.556 -0.000 0.000 0.298 485 H C 2.005 177.349 175.328 0.027 0.000 1.106 485 H CA 1.708 57.769 56.048 0.022 0.000 1.297 485 H CB -0.131 29.644 29.762 0.021 0.000 1.375 485 H HN 0.452 nan 8.280 nan 0.000 0.509 486 H N -0.752 118.380 119.070 0.105 0.000 2.502 486 H HA -0.002 4.554 4.556 -0.000 0.000 0.283 486 H C 1.324 176.667 175.328 0.026 0.000 1.015 486 H CA 1.072 57.149 56.048 0.049 0.000 1.298 486 H CB 0.220 30.001 29.762 0.032 0.000 1.411 486 H HN 0.301 nan 8.280 nan 0.000 0.556 487 C N 1.470 120.860 119.300 0.150 0.000 2.906 487 C HA 0.264 4.724 4.460 -0.000 0.000 0.274 487 C C 0.667 175.681 174.990 0.040 0.000 1.257 487 C CA -0.321 58.755 59.018 0.098 0.000 1.695 487 C CB -1.251 26.551 27.740 0.104 0.000 1.958 487 C HN 0.514 nan 8.230 nan 0.000 0.619 488 R N 0.101 120.610 120.500 0.015 0.000 2.892 488 R HA 0.829 5.169 4.340 -0.000 0.000 0.265 488 R C -1.534 174.708 176.300 -0.097 0.000 1.025 488 R CA -0.661 55.429 56.100 -0.017 0.000 0.982 488 R CB 0.961 31.271 30.300 0.016 0.000 1.185 488 R HN 0.092 nan 8.270 nan 0.000 0.484 489 L N 0.802 121.917 121.223 -0.180 0.000 2.362 489 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 489 L C -0.606 176.014 176.870 -0.417 0.000 1.002 489 L CA -0.950 53.673 54.840 -0.361 0.000 0.818 489 L CB 2.680 44.368 42.059 -0.619 0.000 1.298 489 L HN 0.735 nan 8.230 nan 0.000 0.420 490 T N 2.323 116.667 114.554 -0.349 0.000 2.772 490 T HA 0.485 4.835 4.350 -0.000 0.000 0.288 490 T C -0.500 174.059 174.700 -0.236 0.000 0.994 490 T CA -0.269 61.702 62.100 -0.214 0.000 0.951 490 T CB 0.177 68.979 68.868 -0.110 0.000 0.933 490 T HN 0.078 nan 8.240 nan 0.000 0.447 491 F N 3.830 123.802 119.950 0.037 0.000 2.445 491 F HA 0.432 4.959 4.527 -0.000 0.000 0.359 491 F C 0.534 176.365 175.800 0.051 0.000 1.101 491 F CA -0.708 57.323 58.000 0.052 0.000 1.177 491 F CB 0.334 39.377 39.000 0.072 0.000 1.110 491 F HN 0.228 nan 8.300 nan 0.000 0.522 492 L N 1.933 123.284 121.223 0.212 0.000 2.298 492 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 492 L C 0.183 177.136 176.870 0.139 0.000 1.010 492 L CA -1.065 53.856 54.840 0.135 0.000 0.812 492 L CB 2.030 44.133 42.059 0.073 0.000 1.331 492 L HN 0.608 nan 8.230 nan 0.000 0.450 493 S N -0.925 114.832 115.700 0.095 0.000 2.632 493 S HA 0.203 4.673 4.470 -0.000 0.000 0.271 493 S C 0.451 175.087 174.600 0.061 0.000 1.260 493 S CA -0.674 57.572 58.200 0.077 0.000 1.010 493 S CB 1.548 64.782 63.200 0.056 0.000 0.965 493 S HN 0.650 nan 8.310 nan 0.000 0.534 494 Q N 1.003 120.832 119.800 0.049 0.000 2.135 494 Q HA -0.142 4.197 4.340 -0.000 0.000 0.204 494 Q C 2.402 178.417 176.000 0.025 0.000 0.981 494 Q CA 1.693 57.517 55.803 0.035 0.000 0.856 494 Q CB -0.591 28.159 28.738 0.021 0.000 0.902 494 Q HN 0.925 nan 8.270 nan 0.000 0.425 495 A N 1.020 123.853 122.820 0.022 0.000 1.873 495 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 495 A C 2.311 179.905 177.584 0.016 0.000 1.186 495 A CA 1.460 53.507 52.037 0.016 0.000 0.616 495 A CB -0.808 18.200 19.000 0.013 0.000 0.823 495 A HN 0.392 nan 8.150 nan 0.000 0.442 496 A N -0.125 122.708 122.820 0.022 0.000 1.933 496 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 496 A C 2.480 180.073 177.584 0.015 0.000 1.175 496 A CA 2.050 54.098 52.037 0.018 0.000 0.628 496 A CB -0.956 18.059 19.000 0.025 0.000 0.814 496 A HN 1.002 nan 8.150 nan 0.000 0.444 497 A N 0.001 122.834 122.820 0.022 0.000 1.858 497 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 497 A C 2.542 180.132 177.584 0.010 0.000 1.190 497 A CA 2.192 54.239 52.037 0.018 0.000 0.617 497 A CB -1.152 17.865 19.000 0.029 0.000 0.827 497 A HN 1.094 nan 8.150 nan 0.000 0.443 498 A N 0.294 123.121 122.820 0.011 0.000 1.908 498 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 498 A C 1.765 179.351 177.584 0.003 0.000 1.181 498 A CA 1.916 53.957 52.037 0.007 0.000 0.627 498 A CB -0.708 18.296 19.000 0.007 0.000 0.818 498 A HN 0.536 nan 8.150 nan 0.000 0.445 499 N N -0.532 118.170 118.700 0.004 0.000 2.573 499 N HA 0.063 4.803 4.740 -0.000 0.000 0.187 499 N C 1.123 176.632 175.510 -0.003 0.000 1.107 499 N CA 1.184 54.235 53.050 0.001 0.000 0.918 499 N CB -0.252 38.236 38.487 0.002 0.000 0.966 499 N HN 0.753 nan 8.380 nan 0.000 0.448 500 G N -0.329 108.469 108.800 -0.004 0.000 2.182 500 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 500 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 500 G C 0.946 175.838 174.900 -0.014 0.000 1.042 500 G CA 0.356 45.450 45.100 -0.009 0.000 0.775 500 G HN 0.201 nan 8.290 nan 0.000 0.501 501 V N 0.127 120.033 119.914 -0.013 0.000 2.332 501 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 501 V C 3.228 179.303 176.094 -0.031 0.000 1.055 501 V CA 3.142 65.430 62.300 -0.019 0.000 1.038 501 V CB -0.941 30.875 31.823 -0.013 0.000 0.651 501 V HN 1.035 nan 8.190 nan 0.000 0.450 502 A N -0.171 122.630 122.820 -0.031 0.000 1.908 502 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 502 A C 2.108 179.664 177.584 -0.047 0.000 1.181 502 A CA 2.065 54.075 52.037 -0.044 0.000 0.627 502 A CB -0.448 18.527 19.000 -0.042 0.000 0.818 502 A HN 0.567 nan 8.150 nan 0.000 0.445 503 E N -0.665 119.513 120.200 -0.036 0.000 2.072 503 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 503 E C 2.160 178.739 176.600 -0.035 0.000 0.982 503 E CA 1.205 57.585 56.400 -0.033 0.000 0.803 503 E CB -0.267 29.419 29.700 -0.024 0.000 0.755 503 E HN 0.631 nan 8.360 nan 0.000 0.453 504 R N 0.339 120.819 120.500 -0.033 0.000 2.075 504 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 504 R C 1.879 178.151 176.300 -0.046 0.000 1.126 504 R CA 1.062 57.142 56.100 -0.033 0.000 0.963 504 R CB -0.162 30.121 30.300 -0.028 0.000 0.858 504 R HN 0.194 nan 8.270 nan 0.000 0.435 505 L N 0.474 121.662 121.223 -0.057 0.000 2.492 505 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 505 L C 0.646 177.469 176.870 -0.079 0.000 1.132 505 L CA 0.310 55.104 54.840 -0.076 0.000 0.850 505 L CB -0.388 41.619 42.059 -0.087 0.000 0.966 505 L HN 0.472 nan 8.230 nan 0.000 0.454 506 N N 1.121 119.779 118.700 -0.069 0.000 2.756 506 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 506 N C -0.419 175.032 175.510 -0.099 0.000 1.062 506 N CA -0.215 52.792 53.050 -0.073 0.000 0.696 506 N CB -0.406 38.044 38.487 -0.063 0.000 0.946 506 N HN 0.026 nan 8.380 nan 0.000 0.548 507 L N 1.341 122.500 121.223 -0.105 0.000 2.453 507 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 507 L C 1.830 178.599 176.870 -0.168 0.000 1.182 507 L CA 0.851 55.608 54.840 -0.138 0.000 0.858 507 L CB 0.803 42.793 42.059 -0.116 0.000 1.120 507 L HN 0.197 nan 8.230 nan 0.000 0.474 508 R N 0.237 120.573 120.500 -0.273 0.000 2.237 508 R HA 0.179 4.519 4.340 -0.000 0.000 0.195 508 R C 0.560 176.707 176.300 -0.254 0.000 0.956 508 R CA 0.127 56.029 56.100 -0.330 0.000 1.029 508 R CB 0.094 30.002 30.300 -0.653 0.000 0.972 508 R HN 0.625 nan 8.270 nan 0.000 0.493 509 S N 0.287 115.852 115.700 -0.225 0.000 2.624 509 S HA 0.538 5.008 4.470 -0.000 0.000 0.263 509 S C 0.095 174.627 174.600 -0.113 0.000 1.287 509 S CA -0.539 57.597 58.200 -0.107 0.000 0.990 509 S CB 1.158 64.310 63.200 -0.080 0.000 0.950 509 S HN 0.363 nan 8.310 nan 0.000 0.561 510 A N 1.377 124.124 122.820 -0.122 0.000 2.425 510 A HA 0.456 4.776 4.320 -0.000 0.000 0.249 510 A C -0.153 177.337 177.584 -0.157 0.000 1.084 510 A CA -0.220 51.729 52.037 -0.147 0.000 0.781 510 A CB -0.208 18.684 19.000 -0.180 0.000 1.019 510 A HN 0.587 nan 8.150 nan 0.000 0.490 511 I N 1.168 121.662 120.570 -0.126 0.000 2.412 511 I HA 0.571 4.741 4.170 -0.000 0.000 0.296 511 I C 0.568 176.626 176.117 -0.100 0.000 0.987 511 I CA -0.061 61.170 61.300 -0.114 0.000 1.180 511 I CB 1.064 39.028 38.000 -0.060 0.000 1.340 511 I HN 0.734 nan 8.210 nan 0.000 0.455 512 A N 6.186 128.936 122.820 -0.117 0.000 2.413 512 A HA 0.828 5.148 4.320 -0.000 0.000 0.307 512 A C -1.031 176.670 177.584 0.195 0.000 1.087 512 A CA -0.523 51.518 52.037 0.007 0.000 0.750 512 A CB 1.807 20.711 19.000 -0.160 0.000 1.296 512 A HN 0.387 nan 8.150 nan 0.000 0.423 513 V N 1.813 121.905 119.914 0.297 0.000 2.555 513 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 513 V C 0.197 176.508 176.094 0.360 0.000 1.038 513 V CA -0.576 61.886 62.300 0.270 0.000 0.887 513 V CB 1.643 33.558 31.823 0.154 0.000 0.991 513 V HN 1.052 nan 8.190 nan 0.000 0.434 514 V N 2.877 122.952 119.914 0.268 0.000 2.649 514 V HA 0.780 4.900 4.120 -0.000 0.000 0.292 514 V C -0.337 175.807 176.094 0.084 0.000 1.055 514 V CA -0.398 62.029 62.300 0.210 0.000 1.023 514 V CB 0.909 32.805 31.823 0.122 0.000 0.992 514 V HN 1.064 nan 8.190 nan 0.000 0.480 515 K N 2.345 122.755 120.400 0.016 0.000 2.568 515 K HA 0.706 5.026 4.320 -0.000 0.000 0.273 515 K C 0.104 176.666 176.600 -0.063 0.000 0.951 515 K CA -0.523 55.727 56.287 -0.061 0.000 0.854 515 K CB 1.553 33.968 32.500 -0.142 0.000 1.424 515 K HN 1.943 nan 8.250 nan 0.000 0.427 516 G N 0.811 109.578 108.800 -0.055 0.000 2.142 516 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.225 516 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.225 516 G C 0.545 175.414 174.900 -0.050 0.000 1.015 516 G CA 0.093 45.163 45.100 -0.050 0.000 0.716 516 G HN 0.660 nan 8.290 nan 0.000 0.508 517 C N -0.230 119.038 119.300 -0.054 0.000 2.485 517 C HA 0.141 4.601 4.460 -0.000 0.000 0.277 517 C C 2.589 177.530 174.990 -0.082 0.000 1.376 517 C CA 1.055 60.025 59.018 -0.080 0.000 1.759 517 C CB -0.455 27.236 27.740 -0.082 0.000 1.970 517 C HN 0.582 nan 8.230 nan 0.000 0.509 518 R N 1.267 121.730 120.500 -0.061 0.000 2.200 518 R HA -0.011 4.329 4.340 -0.000 0.000 0.208 518 R C 1.915 178.185 176.300 -0.050 0.000 1.033 518 R CA 1.565 57.632 56.100 -0.055 0.000 1.000 518 R CB -1.316 28.959 30.300 -0.043 0.000 0.906 518 R HN 0.694 nan 8.270 nan 0.000 0.462 519 T N -0.974 113.551 114.554 -0.048 0.000 3.065 519 T HA 0.104 4.454 4.350 -0.000 0.000 0.252 519 T C 1.148 175.821 174.700 -0.046 0.000 1.099 519 T CA -0.173 61.901 62.100 -0.042 0.000 1.063 519 T CB -0.322 68.525 68.868 -0.036 0.000 0.948 519 T HN -0.016 nan 8.240 nan 0.000 0.506 520 V N 1.583 121.463 119.914 -0.058 0.000 2.686 520 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 520 V C -0.326 175.730 176.094 -0.062 0.000 1.055 520 V CA -1.040 61.223 62.300 -0.062 0.000 1.050 520 V CB 0.553 32.328 31.823 -0.080 0.000 0.984 520 V HN 0.664 nan 8.190 nan 0.000 0.482 521 Q N 1.762 121.528 119.800 -0.055 0.000 2.683 521 Q HA 0.547 4.887 4.340 -0.000 0.000 0.302 521 Q C 0.395 176.365 176.000 -0.050 0.000 1.042 521 Q CA -1.128 54.646 55.803 -0.048 0.000 0.773 521 Q CB 1.529 30.248 28.738 -0.032 0.000 1.508 521 Q HN 0.354 nan 8.270 nan 0.000 0.459 522 K N 0.846 121.221 120.400 -0.041 0.000 2.074 522 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 522 K C 1.847 178.427 176.600 -0.033 0.000 1.048 522 K CA 2.479 58.742 56.287 -0.040 0.000 0.926 522 K CB -0.928 31.556 32.500 -0.026 0.000 0.713 522 K HN 0.691 nan 8.250 nan 0.000 0.444 523 A N 0.693 123.498 122.820 -0.024 0.000 2.076 523 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 523 A C 1.355 178.924 177.584 -0.025 0.000 1.160 523 A CA 2.043 54.069 52.037 -0.017 0.000 0.653 523 A CB -0.503 18.490 19.000 -0.012 0.000 0.801 523 A HN 0.427 nan 8.150 nan 0.000 0.455 524 D N -0.549 119.828 120.400 -0.039 0.000 2.355 524 D HA 0.034 4.674 4.640 -0.000 0.000 0.218 524 D C 0.312 176.568 176.300 -0.074 0.000 1.004 524 D CA 0.265 54.235 54.000 -0.051 0.000 0.880 524 D CB -0.114 40.654 40.800 -0.053 0.000 0.911 524 D HN 0.299 nan 8.370 nan 0.000 0.528 525 M N 1.780 121.338 119.600 -0.070 0.000 2.292 525 M HA 0.070 4.549 4.480 -0.000 0.000 0.342 525 M C -0.037 176.203 176.300 -0.100 0.000 1.538 525 M CA -0.271 54.977 55.300 -0.087 0.000 1.163 525 M CB 0.572 33.130 32.600 -0.070 0.000 1.823 525 M HN -0.320 nan 8.290 nan 0.000 0.462 526 V N 6.420 126.228 119.914 -0.178 0.000 2.506 526 V HA -0.120 4.000 4.120 -0.000 0.000 0.296 526 V C 1.165 177.127 176.094 -0.220 0.000 1.004 526 V CA 0.494 62.608 62.300 -0.309 0.000 1.150 526 V CB -0.996 30.525 31.823 -0.503 0.000 0.911 526 V HN 0.899 nan 8.190 nan 0.000 0.476 527 H N 2.553 121.646 119.070 0.038 0.000 3.366 527 H HA -0.161 4.395 4.556 -0.000 0.000 0.233 527 H C 0.583 175.939 175.328 0.046 0.000 1.102 527 H CA 1.374 57.471 56.048 0.082 0.000 1.184 527 H CB -1.339 28.405 29.762 -0.030 0.000 1.216 527 H HN 0.859 nan 8.280 nan 0.000 0.317 528 N N 0.059 118.813 118.700 0.089 0.000 2.687 528 N HA 0.145 4.885 4.740 -0.000 0.000 0.275 528 N C 0.133 175.656 175.510 0.022 0.000 1.789 528 N CA 0.654 53.731 53.050 0.045 0.000 0.806 528 N CB 1.068 39.555 38.487 0.000 0.000 1.256 528 N HN 0.299 nan 8.380 nan 0.000 0.500 529 S N -0.736 114.989 115.700 0.042 0.000 2.650 529 S HA 0.153 4.623 4.470 -0.000 0.000 0.240 529 S C 0.350 174.965 174.600 0.024 0.000 1.007 529 S CA -0.415 57.797 58.200 0.020 0.000 0.984 529 S CB 0.259 63.472 63.200 0.021 0.000 0.910 529 S HN 0.243 nan 8.310 nan 0.000 0.509 530 L N 2.683 123.928 121.223 0.037 0.000 2.455 530 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 530 L C -0.135 176.747 176.870 0.020 0.000 1.174 530 L CA 0.952 55.813 54.840 0.034 0.000 0.869 530 L CB 0.449 42.536 42.059 0.048 0.000 1.130 530 L HN 0.318 nan 8.230 nan 0.000 0.474 531 Q N 6.987 126.791 119.800 0.007 0.000 2.571 531 Q HA 0.396 4.736 4.340 -0.000 0.000 0.243 531 Q C -2.246 173.746 176.000 -0.012 0.000 1.055 531 Q CA -1.703 54.093 55.803 -0.010 0.000 0.815 531 Q CB 1.093 29.813 28.738 -0.030 0.000 1.151 531 Q HN 0.550 nan 8.270 nan 0.000 0.519 532 P HA 0.092 nan 4.420 nan 0.000 0.281 532 P C -0.684 176.610 177.300 -0.011 0.000 1.249 532 P CA -0.532 62.572 63.100 0.005 0.000 0.810 532 P CB 0.943 32.659 31.700 0.027 0.000 1.008 533 N N 2.102 120.795 118.700 -0.012 0.000 2.807 533 N HA 0.174 4.914 4.740 -0.000 0.000 0.259 533 N C -0.528 174.982 175.510 -0.001 0.000 1.149 533 N CA -0.287 52.751 53.050 -0.019 0.000 1.042 533 N CB -0.936 37.540 38.487 -0.018 0.000 1.367 533 N HN 0.412 nan 8.380 nan 0.000 0.516 534 I N 2.197 122.772 120.570 0.008 0.000 2.437 534 I HA 0.486 4.656 4.170 -0.000 0.000 0.298 534 I C -0.382 175.752 176.117 0.029 0.000 0.984 534 I CA -0.306 61.010 61.300 0.026 0.000 1.214 534 I CB 1.109 39.139 38.000 0.050 0.000 1.365 534 I HN 0.461 nan 8.210 nan 0.000 0.469 535 T N 3.875 118.446 114.554 0.028 0.000 2.906 535 T HA 0.694 5.044 4.350 -0.000 0.000 0.295 535 T C -0.907 173.814 174.700 0.034 0.000 1.061 535 T CA -0.745 61.371 62.100 0.027 0.000 1.000 535 T CB 1.839 70.716 68.868 0.015 0.000 1.103 535 T HN 0.305 nan 8.240 nan 0.000 0.486 536 V N 1.840 121.777 119.914 0.038 0.000 2.525 536 V HA 0.379 4.499 4.120 -0.000 0.000 0.299 536 V C -0.393 175.732 176.094 0.052 0.000 1.034 536 V CA -0.908 61.424 62.300 0.054 0.000 0.863 536 V CB 1.701 33.565 31.823 0.068 0.000 0.999 536 V HN 1.074 nan 8.190 nan 0.000 0.423 537 D N 3.608 124.040 120.400 0.054 0.000 2.371 537 D HA 0.212 4.852 4.640 -0.000 0.000 0.256 537 D C 1.084 177.424 176.300 0.066 0.000 1.193 537 D CA 0.429 54.447 54.000 0.030 0.000 0.881 537 D CB 2.141 42.940 40.800 -0.002 0.000 1.143 537 D HN 0.664 nan 8.370 nan 0.000 0.473 538 A N 4.169 127.010 122.820 0.034 0.000 1.972 538 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 538 A C 1.912 179.526 177.584 0.050 0.000 1.169 538 A CA 1.482 53.556 52.037 0.062 0.000 0.635 538 A CB -0.091 18.898 19.000 -0.019 0.000 0.810 538 A HN 0.699 nan 8.150 nan 0.000 0.446 539 Q N -1.174 118.582 119.800 -0.073 0.000 2.226 539 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 539 Q C 2.057 177.775 176.000 -0.469 0.000 0.945 539 Q CA 1.568 57.257 55.803 -0.191 0.000 0.861 539 Q CB -0.199 28.464 28.738 -0.125 0.000 0.953 539 Q HN 0.744 nan 8.270 nan 0.000 0.490 540 T N -3.593 110.744 114.554 -0.361 0.000 3.044 540 T HA 0.027 4.377 4.350 -0.000 0.000 0.250 540 T C -0.125 174.365 174.700 -0.350 0.000 1.081 540 T CA -0.024 61.837 62.100 -0.398 0.000 1.040 540 T CB 0.061 68.829 68.868 -0.167 0.000 0.962 540 T HN 0.267 nan 8.240 nan 0.000 0.506 541 Y N 0.520 120.814 120.300 -0.011 0.000 4.881 541 Y HA -0.190 4.360 4.550 -0.000 0.000 0.241 541 Y C 0.230 176.121 175.900 -0.016 0.000 0.985 541 Y CA -0.350 57.744 58.100 -0.011 0.000 1.976 541 Y CB -2.942 35.511 38.460 -0.013 0.000 1.528 541 Y HN 0.498 nan 8.280 nan 0.000 0.581 542 E N 0.542 120.795 120.200 0.088 0.000 2.414 542 E HA 0.344 4.694 4.350 -0.000 0.000 0.263 542 E C 0.048 176.676 176.600 0.046 0.000 1.000 542 E CA -0.072 56.357 56.400 0.048 0.000 0.914 542 E CB 1.113 30.821 29.700 0.014 0.000 0.948 542 E HN 0.045 nan 8.360 nan 0.000 0.444 543 V N 4.370 124.303 119.914 0.032 0.000 2.439 543 V HA 0.376 4.495 4.120 -0.000 0.000 0.282 543 V C 0.168 176.273 176.094 0.019 0.000 1.039 543 V CA -0.404 61.912 62.300 0.027 0.000 0.913 543 V CB 1.171 33.003 31.823 0.015 0.000 0.983 543 V HN 0.612 nan 8.190 nan 0.000 0.460 544 R N 2.749 123.261 120.500 0.020 0.000 2.621 544 R HA 0.745 5.085 4.340 -0.000 0.000 0.284 544 R C -1.779 174.530 176.300 0.016 0.000 0.998 544 R CA -0.691 55.419 56.100 0.015 0.000 0.895 544 R CB 2.633 32.940 30.300 0.012 0.000 1.195 544 R HN 0.499 nan 8.270 nan 0.000 0.450 545 V N 3.385 123.307 119.914 0.014 0.000 2.376 545 V HA 0.177 4.297 4.120 -0.000 0.000 0.287 545 V C -0.367 175.733 176.094 0.010 0.000 1.015 545 V CA -0.526 61.783 62.300 0.014 0.000 0.834 545 V CB 1.465 33.299 31.823 0.018 0.000 1.001 545 V HN 0.876 nan 8.190 nan 0.000 0.428 546 D N 4.333 124.736 120.400 0.006 0.000 2.870 546 D HA -0.202 4.438 4.640 -0.000 0.000 0.228 546 D C 1.361 177.663 176.300 0.003 0.000 1.147 546 D CA 1.811 55.813 54.000 0.003 0.000 0.757 546 D CB -1.124 39.678 40.800 0.003 0.000 1.091 546 D HN 1.346 nan 8.370 nan 0.000 0.429 547 G N -0.090 108.712 108.800 0.004 0.000 2.284 547 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.247 547 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.247 547 G C 0.188 175.091 174.900 0.005 0.000 1.012 547 G CA 0.814 45.916 45.100 0.004 0.000 0.618 547 G HN 0.733 nan 8.290 nan 0.000 0.521 548 E N 0.936 121.140 120.200 0.007 0.000 2.366 548 E HA 0.566 4.915 4.350 -0.000 0.000 0.266 548 E C 0.036 176.642 176.600 0.009 0.000 1.051 548 E CA -0.939 55.466 56.400 0.008 0.000 0.884 548 E CB 1.447 31.153 29.700 0.010 0.000 1.006 548 E HN 0.415 nan 8.360 nan 0.000 0.417 549 L N 3.798 125.027 121.223 0.010 0.000 2.319 549 L HA 0.231 4.571 4.340 -0.000 0.000 0.280 549 L C -0.885 175.992 176.870 0.012 0.000 1.099 549 L CA -0.333 54.514 54.840 0.010 0.000 0.828 549 L CB 0.692 42.757 42.059 0.010 0.000 1.150 549 L HN 0.568 nan 8.230 nan 0.000 0.442 550 I N 5.012 125.587 120.570 0.009 0.000 2.331 550 I HA 0.509 4.679 4.170 -0.000 0.000 0.292 550 I C 0.362 176.481 176.117 0.003 0.000 0.998 550 I CA -0.031 61.273 61.300 0.007 0.000 1.267 550 I CB 0.761 38.761 38.000 -0.000 0.000 1.386 550 I HN 0.699 nan 8.210 nan 0.000 0.476 551 T N 4.066 118.627 114.554 0.012 0.000 2.700 551 T HA 0.651 5.001 4.350 -0.000 0.000 0.307 551 T C -1.179 173.549 174.700 0.047 0.000 1.580 551 T CA -0.319 61.792 62.100 0.019 0.000 0.992 551 T CB 1.375 70.260 68.868 0.028 0.000 1.577 551 T HN 0.805 nan 8.240 nan 0.000 0.496 552 S N 0.932 116.685 115.700 0.088 0.000 2.643 552 S HA 0.773 5.243 4.470 -0.000 0.000 0.270 552 S C -1.817 172.906 174.600 0.207 0.000 1.166 552 S CA -0.988 57.289 58.200 0.128 0.000 0.815 552 S CB 1.923 65.204 63.200 0.136 0.000 1.139 552 S HN 0.642 nan 8.310 nan 0.000 0.472 553 E N 1.818 122.102 120.200 0.141 0.000 2.204 553 E HA 0.503 4.853 4.350 -0.000 0.000 0.276 553 E C -2.636 173.916 176.600 -0.080 0.000 0.974 553 E CA -2.284 54.157 56.400 0.069 0.000 0.815 553 E CB 1.518 31.229 29.700 0.017 0.000 1.119 553 E HN 0.492 nan 8.360 nan 0.000 0.393 554 P HA 0.129 nan 4.420 nan 0.000 0.276 554 P C -0.799 176.313 177.300 -0.314 0.000 1.243 554 P CA -0.198 62.442 63.100 -0.768 0.000 0.768 554 P CB 0.767 31.850 31.700 -1.028 0.000 0.856 555 A N 3.745 126.440 122.820 -0.209 0.000 2.388 555 A HA 0.207 4.527 4.320 -0.000 0.000 0.257 555 A C 1.225 178.761 177.584 -0.080 0.000 1.095 555 A CA -0.357 51.628 52.037 -0.086 0.000 0.791 555 A CB 0.113 19.103 19.000 -0.017 0.000 1.029 555 A HN 0.647 nan 8.150 nan 0.000 0.489 556 D N 0.532 120.905 120.400 -0.044 0.000 2.355 556 D HA 0.132 4.772 4.640 -0.000 0.000 0.206 556 D C 0.064 176.356 176.300 -0.013 0.000 1.010 556 D CA 0.496 54.476 54.000 -0.033 0.000 0.875 556 D CB 0.083 40.867 40.800 -0.027 0.000 0.966 556 D HN 0.203 nan 8.370 nan 0.000 0.512 557 V N 0.611 120.526 119.914 0.001 0.000 3.012 557 V HA 0.431 4.550 4.120 -0.000 0.000 0.307 557 V C -0.836 175.268 176.094 0.018 0.000 1.166 557 V CA -0.892 61.413 62.300 0.009 0.000 0.974 557 V CB 2.786 34.615 31.823 0.010 0.000 1.040 557 V HN 0.034 nan 8.190 nan 0.000 0.428 558 L N 3.431 124.657 121.223 0.005 0.000 2.350 558 L HA 0.679 5.019 4.340 -0.000 0.000 0.260 558 L C -2.561 174.272 176.870 -0.062 0.000 1.015 558 L CA -1.745 53.082 54.840 -0.022 0.000 0.821 558 L CB 2.907 44.966 42.059 0.000 0.000 1.370 558 L HN 0.459 nan 8.230 nan 0.000 0.416 559 P HA 0.383 nan 4.420 nan 0.000 0.282 559 P C -0.447 176.851 177.300 -0.004 0.000 1.287 559 P CA -0.590 62.429 63.100 -0.135 0.000 0.792 559 P CB 0.397 31.893 31.700 -0.339 0.000 1.163 560 M N -2.557 117.106 119.600 0.106 0.000 2.302 560 M HA -0.272 4.208 4.480 -0.000 0.000 0.200 560 M C 0.217 176.680 176.300 0.272 0.000 0.366 560 M CA 0.759 56.118 55.300 0.098 0.000 0.440 560 M CB -2.265 30.297 32.600 -0.063 0.000 1.475 560 M HN 0.482 nan 8.290 nan 0.000 0.905 561 A N -0.168 122.850 122.820 0.331 0.000 2.446 561 A HA 0.306 4.626 4.320 -0.000 0.000 0.199 561 A C 1.051 178.846 177.584 0.351 0.000 1.677 561 A CA 0.186 52.405 52.037 0.304 0.000 1.600 561 A CB 0.077 19.158 19.000 0.136 0.000 1.583 561 A HN 0.459 nan 8.150 nan 0.000 0.551 562 Q N -0.216 119.692 119.800 0.180 0.000 2.439 562 Q HA -0.073 4.267 4.340 -0.000 0.000 0.211 562 Q C 1.869 177.893 176.000 0.039 0.000 0.978 562 Q CA 1.127 57.003 55.803 0.123 0.000 0.897 562 Q CB -0.062 28.709 28.738 0.055 0.000 0.956 562 Q HN 0.533 nan 8.270 nan 0.000 0.483 563 R N -0.600 119.877 120.500 -0.038 0.000 2.240 563 R HA -0.075 4.265 4.340 -0.000 0.000 0.203 563 R C 0.663 176.688 176.300 -0.458 0.000 1.011 563 R CA 0.818 56.743 56.100 -0.292 0.000 1.007 563 R CB 0.338 30.354 30.300 -0.472 0.000 0.911 563 R HN 0.272 nan 8.270 nan 0.000 0.468 564 Y N -1.800 118.441 120.300 -0.099 0.000 2.498 564 Y HA 0.257 4.807 4.550 -0.000 0.000 0.259 564 Y C -0.117 175.515 175.900 -0.447 0.000 1.086 564 Y CA -0.424 57.511 58.100 -0.275 0.000 1.287 564 Y CB 0.543 38.728 38.460 -0.458 0.000 1.146 564 Y HN -0.165 nan 8.280 nan 0.000 0.523 565 F N 0.004 120.065 119.950 0.186 0.000 2.421 565 F HA 0.280 4.806 4.527 -0.000 0.000 0.337 565 F C 0.780 176.605 175.800 0.042 0.000 1.105 565 F CA -0.986 57.094 58.000 0.132 0.000 1.049 565 F CB 1.417 40.496 39.000 0.132 0.000 1.139 565 F HN -0.213 nan 8.300 nan 0.000 0.479 566 L N 2.134 123.466 121.223 0.181 0.000 2.291 566 L HA 0.191 4.531 4.340 -0.000 0.000 0.214 566 L C -0.613 176.059 176.870 -0.330 0.000 1.120 566 L CA 1.707 56.496 54.840 -0.084 0.000 0.799 566 L CB -0.458 41.562 42.059 -0.065 0.000 0.925 566 L HN 0.438 nan 8.230 nan 0.000 0.446 567 F N 0.000 120.043 119.950 0.155 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.053 58.000 0.088 0.000 1.383 567 F CB 0.000 39.032 39.000 0.054 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574