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 1z4u_1_A DATA FIRST_RESID 0 DATA SEQUENCE MSMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNLVYS TTSRSASLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR SLSSRAVNHI RSVWKDLLED TDTPIQTTIM AKNEVFCVQP DATA SEQUENCE EKGGRKPARL IVFPDLGVRV CEKMALYDVV STLPQAVMGS SYGFQYSPKQ DATA SEQUENCE RVEFLVNTWK AKKCPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIRSLTER LYVGGPMTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE AAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT VPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA KLLSQGGRAA ICGKYLFNWA VRTKLKLTPI PAASRLLLSG DATA SEQUENCE WFVAGYSGGD IYHS 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.295 176.300 -0.008 0.000 1.140 0 M CA 0.000 55.300 55.300 0.000 0.000 0.988 0 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 1 S N 0.180 115.873 115.700 -0.012 0.000 2.571 1 S HA 0.831 5.301 4.470 -0.000 0.000 0.284 1 S C -0.195 174.380 174.600 -0.040 0.000 1.128 1 S CA -0.909 57.272 58.200 -0.031 0.000 0.970 1 S CB 2.282 65.454 63.200 -0.046 0.000 1.039 1 S HN 0.339 nan 8.310 nan 0.000 0.485 2 M N 3.255 122.826 119.600 -0.048 0.000 2.245 2 M HA 0.176 4.656 4.480 -0.000 0.000 0.344 2 M C 1.760 177.960 176.300 -0.166 0.000 1.170 2 M CA -0.110 55.151 55.300 -0.064 0.000 1.135 2 M CB 0.644 33.225 32.600 -0.032 0.000 1.574 2 M HN 1.049 nan 8.290 nan 0.000 0.452 3 S N 2.051 117.591 115.700 -0.267 0.000 2.428 3 S HA -0.025 4.445 4.470 -0.000 0.000 0.230 3 S C 0.094 174.258 174.600 -0.726 0.000 1.014 3 S CA 0.703 58.599 58.200 -0.506 0.000 0.957 3 S CB -0.068 62.726 63.200 -0.677 0.000 0.784 3 S HN 0.663 nan 8.310 nan 0.000 0.499 4 Y N 0.502 120.681 120.300 -0.200 0.000 2.581 4 Y HA 0.506 5.056 4.550 -0.000 0.000 0.337 4 Y C -0.353 175.288 175.900 -0.430 0.000 1.108 4 Y CA -0.987 56.881 58.100 -0.388 0.000 1.033 4 Y CB 1.939 40.080 38.460 -0.531 0.000 1.318 4 Y HN 0.086 nan 8.280 nan 0.000 0.459 5 T N -2.299 112.002 114.554 -0.421 0.000 2.893 5 T HA 0.694 5.044 4.350 -0.000 0.000 0.291 5 T C -1.328 173.043 174.700 -0.549 0.000 1.028 5 T CA -0.854 61.072 62.100 -0.290 0.000 0.995 5 T CB 1.440 70.246 68.868 -0.105 0.000 1.051 5 T HN 0.525 nan 8.240 nan 0.000 0.470 6 W N 0.560 121.911 121.300 0.085 0.000 2.864 6 W HA 0.504 5.163 4.660 -0.001 0.000 0.343 6 W C 1.379 177.925 176.519 0.044 0.000 1.109 6 W CA -0.731 56.648 57.345 0.056 0.000 1.192 6 W CB 2.081 31.560 29.460 0.031 0.000 1.426 6 W HN 0.917 nan 8.180 nan 0.000 0.529 7 T N -2.648 112.078 114.554 0.287 0.000 3.031 7 T HA 0.365 4.715 4.350 -0.000 0.000 0.254 7 T C 1.328 176.112 174.700 0.140 0.000 1.060 7 T CA 1.104 63.304 62.100 0.165 0.000 1.135 7 T CB 0.093 69.035 68.868 0.122 0.000 0.896 7 T HN 1.109 nan 8.240 nan 0.000 0.472 8 G N 1.142 110.033 108.800 0.151 0.000 2.624 8 G HA2 0.176 4.136 3.960 -0.000 0.000 0.190 8 G HA3 0.176 4.136 3.960 -0.000 0.000 0.190 8 G C 0.356 175.291 174.900 0.059 0.000 1.008 8 G CA -0.145 45.005 45.100 0.084 0.000 0.731 8 G HN 0.965 nan 8.290 nan 0.000 0.478 9 A N 1.627 124.496 122.820 0.081 0.000 2.546 9 A HA 0.579 4.899 4.320 -0.000 0.000 0.243 9 A C 0.879 178.485 177.584 0.036 0.000 1.063 9 A CA 0.272 52.344 52.037 0.058 0.000 0.757 9 A CB -0.026 19.017 19.000 0.073 0.000 0.991 9 A HN 0.808 nan 8.150 nan 0.000 0.503 10 L N 2.261 123.489 121.223 0.007 0.000 2.464 10 L HA 0.221 4.561 4.340 -0.000 0.000 0.264 10 L C 0.330 177.193 176.870 -0.012 0.000 1.199 10 L CA -0.160 54.667 54.840 -0.023 0.000 0.818 10 L CB 0.358 42.406 42.059 -0.019 0.000 1.102 10 L HN 0.551 nan 8.230 nan 0.000 0.473 11 I N 1.387 121.934 120.570 -0.038 0.000 2.337 11 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 11 I C 0.429 176.545 176.117 -0.001 0.000 1.046 11 I CA -0.112 61.179 61.300 -0.014 0.000 1.324 11 I CB 1.113 39.089 38.000 -0.040 0.000 1.409 11 I HN 0.685 nan 8.210 nan 0.000 0.494 12 T N 5.103 119.666 114.554 0.016 0.000 2.943 12 T HA 0.605 4.955 4.350 -0.000 0.000 0.284 12 T C -2.542 172.178 174.700 0.033 0.000 1.015 12 T CA -1.951 60.162 62.100 0.020 0.000 1.042 12 T CB 1.827 70.706 68.868 0.019 0.000 1.055 12 T HN 0.294 nan 8.240 nan 0.000 0.500 13 P HA 0.319 nan 4.420 nan 0.000 0.285 13 P C 0.609 177.933 177.300 0.040 0.000 1.269 13 P CA -0.812 62.313 63.100 0.042 0.000 0.844 13 P CB 1.303 33.027 31.700 0.040 0.000 1.094 14 C N -0.215 119.111 119.300 0.044 0.000 2.700 14 C HA 0.646 5.106 4.460 -0.000 0.000 0.297 14 C C 1.351 176.360 174.990 0.032 0.000 1.293 14 C CA 0.606 59.646 59.018 0.037 0.000 1.756 14 C CB -0.790 26.975 27.740 0.042 0.000 2.210 14 C HN 0.602 nan 8.230 nan 0.000 0.553 15 A N 1.309 124.151 122.820 0.037 0.000 3.444 15 A HA 0.869 5.189 4.320 -0.000 0.000 0.189 15 A C 0.085 177.694 177.584 0.042 0.000 1.542 15 A CA 0.150 52.209 52.037 0.037 0.000 0.867 15 A CB -0.387 18.637 19.000 0.040 0.000 1.712 15 A HN 1.130 nan 8.150 nan 0.000 0.556 16 A N -0.206 122.642 122.820 0.048 0.000 2.305 16 A HA 0.612 4.931 4.320 -0.000 0.000 0.322 16 A C -0.689 176.937 177.584 0.071 0.000 1.187 16 A CA -0.401 51.667 52.037 0.053 0.000 0.825 16 A CB 0.216 19.245 19.000 0.048 0.000 1.164 16 A HN 0.614 nan 8.150 nan 0.000 0.498 17 E N 2.183 122.430 120.200 0.078 0.000 2.114 17 E HA 0.278 4.628 4.350 -0.000 0.000 0.266 17 E C -0.979 175.703 176.600 0.136 0.000 0.896 17 E CA -0.648 55.815 56.400 0.104 0.000 0.750 17 E CB 1.373 31.125 29.700 0.087 0.000 1.121 17 E HN 0.550 nan 8.360 nan 0.000 0.413 18 E N 1.711 122.030 120.200 0.198 0.000 2.194 18 E HA 0.055 4.405 4.350 -0.000 0.000 0.284 18 E C 0.540 177.378 176.600 0.397 0.000 1.035 18 E CA -0.063 56.484 56.400 0.245 0.000 0.836 18 E CB 1.576 31.410 29.700 0.224 0.000 1.070 18 E HN 0.572 nan 8.360 nan 0.000 0.401 19 S N 2.623 118.519 115.700 0.326 0.000 2.483 19 S HA 0.112 4.582 4.470 -0.000 0.000 0.221 19 S C 0.673 175.586 174.600 0.521 0.000 1.030 19 S CA 0.214 58.635 58.200 0.368 0.000 0.925 19 S CB 0.479 63.822 63.200 0.239 0.000 0.795 19 S HN 0.202 nan 8.310 nan 0.000 0.511 20 K N 0.660 121.280 120.400 0.368 0.000 2.156 20 K HA 0.496 4.816 4.320 -0.000 0.000 0.250 20 K C -1.293 175.279 176.600 -0.048 0.000 0.955 20 K CA -0.990 55.461 56.287 0.274 0.000 0.855 20 K CB 1.342 33.922 32.500 0.133 0.000 1.101 20 K HN 0.090 nan 8.250 nan 0.000 0.434 21 L N 4.984 126.172 121.223 -0.057 0.000 2.462 21 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 21 L C -1.310 175.346 176.870 -0.357 0.000 1.166 21 L CA -1.193 53.412 54.840 -0.391 0.000 0.880 21 L CB 0.343 42.382 42.059 -0.033 0.000 1.142 21 L HN 0.590 nan 8.230 nan 0.000 0.473 22 P HA -0.207 nan 4.420 nan 0.000 0.214 22 P C 0.805 177.956 177.300 -0.248 0.000 1.169 22 P CA 1.489 64.419 63.100 -0.284 0.000 0.908 22 P CB 0.626 32.166 31.700 -0.267 0.000 0.791 23 I N -3.571 116.850 120.570 -0.249 0.000 5.424 23 I HA -0.112 4.058 4.170 -0.000 0.000 0.276 23 I C -0.322 175.739 176.117 -0.095 0.000 1.812 23 I CA -0.344 60.820 61.300 -0.228 0.000 2.014 23 I CB -1.459 36.396 38.000 -0.242 0.000 3.340 23 I HN -0.011 nan 8.210 nan 0.000 0.176 24 N N 1.666 120.322 118.700 -0.073 0.000 2.353 24 N HA 0.118 4.857 4.740 -0.000 0.000 0.248 24 N C 1.176 176.693 175.510 0.012 0.000 1.240 24 N CA 1.254 54.289 53.050 -0.025 0.000 0.862 24 N CB 1.515 39.997 38.487 -0.009 0.000 1.086 24 N HN 0.452 nan 8.380 nan 0.000 0.453 25 A N 4.456 127.286 122.820 0.017 0.000 2.119 25 A HA -0.053 4.266 4.320 -0.000 0.000 0.217 25 A C 2.249 179.863 177.584 0.050 0.000 1.153 25 A CA 0.649 52.704 52.037 0.031 0.000 0.692 25 A CB -0.200 18.812 19.000 0.019 0.000 0.799 25 A HN 0.765 nan 8.150 nan 0.000 0.458 26 L N -0.015 121.244 121.223 0.059 0.000 2.209 26 L HA -0.108 4.231 4.340 -0.000 0.000 0.207 26 L C 2.977 179.934 176.870 0.144 0.000 1.094 26 L CA 1.327 56.224 54.840 0.095 0.000 0.790 26 L CB -0.206 41.904 42.059 0.083 0.000 0.932 26 L HN 0.622 nan 8.230 nan 0.000 0.447 27 S N -0.346 115.421 115.700 0.111 0.000 2.370 27 S HA -0.212 4.257 4.470 -0.000 0.000 0.226 27 S C 1.504 176.176 174.600 0.119 0.000 1.033 27 S CA 1.741 60.012 58.200 0.117 0.000 1.011 27 S CB -0.647 62.601 63.200 0.080 0.000 0.852 27 S HN 0.444 nan 8.310 nan 0.000 0.457 28 N N 1.935 120.702 118.700 0.113 0.000 2.550 28 N HA 0.045 4.785 4.740 -0.000 0.000 0.186 28 N C 1.639 177.201 175.510 0.086 0.000 1.110 28 N CA 0.916 54.027 53.050 0.102 0.000 0.912 28 N CB -0.256 38.284 38.487 0.089 0.000 0.968 28 N HN 0.747 nan 8.380 nan 0.000 0.448 29 S N -0.939 114.827 115.700 0.111 0.000 2.561 29 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 29 S C 1.384 176.083 174.600 0.165 0.000 0.977 29 S CA 0.218 58.487 58.200 0.115 0.000 0.926 29 S CB 0.015 63.310 63.200 0.159 0.000 0.769 29 S HN 0.225 nan 8.310 nan 0.000 0.533 30 L N -0.174 121.119 121.223 0.118 0.000 2.777 30 L HA 0.612 4.951 4.340 -0.000 0.000 0.172 30 L C 0.059 177.008 176.870 0.131 0.000 1.179 30 L CA 0.387 55.272 54.840 0.075 0.000 0.859 30 L CB 0.135 42.003 42.059 -0.319 0.000 1.269 30 L HN 0.461 nan 8.230 nan 0.000 0.511 31 L N -0.362 120.919 121.223 0.096 0.000 2.346 31 L HA 0.417 4.757 4.340 -0.000 0.000 0.274 31 L C 0.733 177.672 176.870 0.115 0.000 1.007 31 L CA -0.389 54.526 54.840 0.126 0.000 0.818 31 L CB 1.723 43.860 42.059 0.130 0.000 1.284 31 L HN 0.260 nan 8.230 nan 0.000 0.424 32 R N 0.517 121.076 120.500 0.098 0.000 2.191 32 R HA 0.135 4.475 4.340 -0.000 0.000 0.196 32 R C 0.077 176.233 176.300 -0.239 0.000 0.991 32 R CA 0.039 56.105 56.100 -0.057 0.000 1.075 32 R CB 0.212 30.436 30.300 -0.125 0.000 1.040 32 R HN 0.725 nan 8.270 nan 0.000 0.526 33 H N 2.031 121.046 119.070 -0.093 0.000 2.768 33 H HA 0.074 4.630 4.556 -0.000 0.000 0.219 33 H C 0.244 175.538 175.328 -0.058 0.000 1.898 33 H CA 0.046 56.015 56.048 -0.133 0.000 1.313 33 H CB -0.417 29.320 29.762 -0.041 0.000 1.701 33 H HN 0.370 nan 8.280 nan 0.000 0.534 34 H N -0.836 118.316 119.070 0.138 0.000 2.567 34 H HA -0.011 4.545 4.556 -0.000 0.000 0.281 34 H C 0.021 175.442 175.328 0.154 0.000 1.055 34 H CA 0.207 56.337 56.048 0.138 0.000 1.185 34 H CB 0.149 29.964 29.762 0.087 0.000 1.325 34 H HN 0.432 nan 8.280 nan 0.000 0.622 35 N N 0.602 119.467 118.700 0.276 0.000 2.205 35 N HA 0.108 4.848 4.740 -0.000 0.000 0.201 35 N C 1.263 176.898 175.510 0.208 0.000 1.128 35 N CA -0.019 53.184 53.050 0.255 0.000 0.867 35 N CB 0.777 39.376 38.487 0.186 0.000 0.996 35 N HN 0.434 nan 8.380 nan 0.000 0.503 36 L N 0.290 121.644 121.223 0.218 0.000 2.463 36 L HA 0.213 4.553 4.340 -0.000 0.000 0.219 36 L C 0.450 177.501 176.870 0.302 0.000 1.088 36 L CA 0.271 55.230 54.840 0.197 0.000 0.849 36 L CB 0.253 42.396 42.059 0.141 0.000 1.012 36 L HN -0.172 nan 8.230 nan 0.000 0.468 37 V N 0.648 120.757 119.914 0.326 0.000 2.583 37 V HA 0.173 4.292 4.120 -0.000 0.000 0.287 37 V C -0.473 175.917 176.094 0.493 0.000 1.051 37 V CA -0.322 62.198 62.300 0.367 0.000 1.010 37 V CB 0.335 32.374 31.823 0.360 0.000 0.988 37 V HN 0.284 nan 8.190 nan 0.000 0.478 38 Y N 1.465 121.891 120.300 0.209 0.000 2.641 38 Y HA 0.729 5.279 4.550 -0.000 0.000 0.333 38 Y C -0.775 175.091 175.900 -0.056 0.000 1.174 38 Y CA -0.926 57.289 58.100 0.191 0.000 1.057 38 Y CB 1.616 40.178 38.460 0.170 0.000 1.322 38 Y HN 0.461 nan 8.280 nan 0.000 0.457 39 S N 1.440 117.035 115.700 -0.175 0.000 2.513 39 S HA 0.592 5.061 4.470 -0.000 0.000 0.299 39 S C -0.599 173.968 174.600 -0.054 0.000 1.087 39 S CA -0.150 57.773 58.200 -0.462 0.000 1.012 39 S CB 1.055 63.802 63.200 -0.755 0.000 1.044 39 S HN 1.124 nan 8.310 nan 0.000 0.485 40 T N 1.699 116.221 114.554 -0.054 0.000 2.907 40 T HA 0.600 4.950 4.350 -0.000 0.000 0.298 40 T C 0.284 175.024 174.700 0.067 0.000 1.017 40 T CA -0.280 61.888 62.100 0.113 0.000 1.118 40 T CB 0.737 69.704 68.868 0.165 0.000 0.948 40 T HN 0.772 nan 8.240 nan 0.000 0.531 41 T N -1.241 113.368 114.554 0.092 0.000 2.887 41 T HA 0.473 4.823 4.350 -0.000 0.000 0.292 41 T C 1.220 175.954 174.700 0.057 0.000 1.087 41 T CA -0.322 61.821 62.100 0.071 0.000 1.009 41 T CB 1.240 70.158 68.868 0.085 0.000 1.203 41 T HN 0.733 nan 8.240 nan 0.000 0.518 42 S N -0.398 115.329 115.700 0.045 0.000 2.584 42 S HA -0.046 4.424 4.470 -0.000 0.000 0.240 42 S C 1.583 176.194 174.600 0.018 0.000 0.975 42 S CA 0.051 58.268 58.200 0.028 0.000 0.949 42 S CB -0.625 62.591 63.200 0.027 0.000 0.761 42 S HN 0.696 nan 8.310 nan 0.000 0.536 43 R N 1.308 121.826 120.500 0.031 0.000 2.189 43 R HA 0.012 4.351 4.340 -0.000 0.000 0.218 43 R C 2.125 178.433 176.300 0.012 0.000 1.074 43 R CA 1.322 57.437 56.100 0.024 0.000 0.991 43 R CB -0.177 30.147 30.300 0.040 0.000 0.883 43 R HN 0.690 nan 8.270 nan 0.000 0.457 44 S N -1.014 114.698 115.700 0.020 0.000 2.523 44 S HA 0.198 4.668 4.470 -0.000 0.000 0.217 44 S C 1.910 176.499 174.600 -0.019 0.000 0.996 44 S CA 0.220 58.425 58.200 0.008 0.000 0.921 44 S CB 0.827 64.049 63.200 0.036 0.000 0.829 44 S HN 0.231 nan 8.310 nan 0.000 0.495 45 A N 2.920 125.723 122.820 -0.027 0.000 1.971 45 A HA -0.191 4.129 4.320 -0.000 0.000 0.222 45 A C 2.472 179.977 177.584 -0.131 0.000 1.182 45 A CA 2.411 54.409 52.037 -0.065 0.000 0.649 45 A CB -1.552 17.408 19.000 -0.067 0.000 0.818 45 A HN 1.010 nan 8.150 nan 0.000 0.458 46 S N -0.435 115.184 115.700 -0.135 0.000 2.442 46 S HA -0.047 4.423 4.470 -0.000 0.000 0.236 46 S C 1.780 176.291 174.600 -0.149 0.000 1.007 46 S CA 1.367 59.455 58.200 -0.187 0.000 0.965 46 S CB -0.608 62.504 63.200 -0.146 0.000 0.773 46 S HN 0.498 nan 8.310 nan 0.000 0.504 47 L N 0.564 121.734 121.223 -0.087 0.000 2.095 47 L HA 0.113 4.453 4.340 -0.000 0.000 0.204 47 L C 3.003 179.847 176.870 -0.043 0.000 1.080 47 L CA 1.261 56.069 54.840 -0.053 0.000 0.759 47 L CB -0.448 41.595 42.059 -0.028 0.000 0.914 47 L HN 0.291 nan 8.230 nan 0.000 0.439 48 R N 0.565 121.039 120.500 -0.044 0.000 2.120 48 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 48 R C 2.166 178.444 176.300 -0.038 0.000 1.123 48 R CA 1.481 57.572 56.100 -0.015 0.000 0.975 48 R CB -0.325 29.971 30.300 -0.007 0.000 0.866 48 R HN 0.399 nan 8.270 nan 0.000 0.446 49 Q N 0.004 119.712 119.800 -0.153 0.000 2.050 49 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 49 Q C 1.986 177.930 176.000 -0.092 0.000 0.980 49 Q CA 2.070 57.709 55.803 -0.274 0.000 0.840 49 Q CB -0.114 28.228 28.738 -0.660 0.000 0.898 49 Q HN 0.270 nan 8.270 nan 0.000 0.424 50 K N 1.018 121.378 120.400 -0.067 0.000 2.009 50 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 50 K C 1.997 178.675 176.600 0.130 0.000 1.049 50 K CA 1.324 57.630 56.287 0.032 0.000 0.929 50 K CB -0.023 32.483 32.500 0.011 0.000 0.714 50 K HN 0.059 nan 8.250 nan 0.000 0.440 51 K N 0.378 120.847 120.400 0.116 0.000 2.044 51 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 51 K C 2.067 178.867 176.600 0.334 0.000 1.049 51 K CA 1.959 58.356 56.287 0.183 0.000 0.927 51 K CB -0.386 32.191 32.500 0.128 0.000 0.713 51 K HN 0.208 nan 8.250 nan 0.000 0.443 52 V N -1.234 118.846 119.914 0.277 0.000 3.306 52 V HA 0.001 4.121 4.120 -0.000 0.000 0.264 52 V C 0.606 176.801 176.094 0.169 0.000 1.149 52 V CA 0.629 63.103 62.300 0.291 0.000 1.143 52 V CB -0.200 31.797 31.823 0.290 0.000 0.767 52 V HN 0.014 nan 8.190 nan 0.000 0.476 53 T N 4.550 119.281 114.554 0.296 0.000 2.747 53 T HA 0.656 5.005 4.350 -0.000 0.000 0.301 53 T C -0.703 174.146 174.700 0.249 0.000 0.952 53 T CA 0.001 62.269 62.100 0.281 0.000 0.983 53 T CB -0.172 68.988 68.868 0.486 0.000 0.930 53 T HN 0.631 nan 8.240 nan 0.000 0.494 54 F N -0.270 119.777 119.950 0.162 0.000 2.711 54 F HA 0.681 5.208 4.527 -0.001 0.000 0.313 54 F C -0.922 174.909 175.800 0.052 0.000 1.141 54 F CA -1.748 56.308 58.000 0.094 0.000 0.941 54 F CB 0.732 39.777 39.000 0.076 0.000 1.349 54 F HN 0.105 nan 8.300 nan 0.000 0.464 55 D N 0.674 121.281 120.400 0.345 0.000 2.304 55 D HA 0.431 5.070 4.640 -0.000 0.000 0.247 55 D C -0.916 175.538 176.300 0.256 0.000 1.089 55 D CA -0.126 53.992 54.000 0.197 0.000 0.910 55 D CB 1.144 42.016 40.800 0.120 0.000 1.199 55 D HN 0.550 nan 8.370 nan 0.000 0.426 56 R N 1.597 122.181 120.500 0.140 0.000 2.437 56 R HA 0.496 4.836 4.340 -0.000 0.000 0.310 56 R C -0.740 175.591 176.300 0.052 0.000 0.955 56 R CA -0.667 55.507 56.100 0.123 0.000 0.851 56 R CB 1.522 31.871 30.300 0.082 0.000 1.161 56 R HN 0.365 nan 8.270 nan 0.000 0.446 57 L N 2.072 123.319 121.223 0.039 0.000 2.322 57 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 57 L C -1.152 175.717 176.870 -0.001 0.000 1.014 57 L CA -0.314 54.532 54.840 0.011 0.000 0.815 57 L CB 1.483 43.546 42.059 0.005 0.000 1.247 57 L HN 0.679 nan 8.230 nan 0.000 0.421 58 Q N 4.298 124.090 119.800 -0.015 0.000 2.275 58 Q HA 0.498 4.838 4.340 -0.000 0.000 0.258 58 Q C -2.142 173.835 176.000 -0.038 0.000 0.960 58 Q CA -0.716 55.071 55.803 -0.027 0.000 0.801 58 Q CB 2.310 31.019 28.738 -0.048 0.000 1.302 58 Q HN 0.621 nan 8.270 nan 0.000 0.433 59 V N 5.402 125.305 119.914 -0.019 0.000 2.357 59 V HA 0.427 4.547 4.120 -0.000 0.000 0.284 59 V C 0.131 176.223 176.094 -0.003 0.000 1.018 59 V CA -0.682 61.607 62.300 -0.017 0.000 0.841 59 V CB 1.010 32.830 31.823 -0.004 0.000 0.991 59 V HN 0.760 nan 8.190 nan 0.000 0.437 60 L N 4.541 125.710 121.223 -0.091 0.000 2.456 60 L HA 0.703 5.042 4.340 -0.000 0.000 0.257 60 L C 0.016 176.904 176.870 0.030 0.000 1.162 60 L CA -0.222 54.507 54.840 -0.185 0.000 0.808 60 L CB 1.186 43.068 42.059 -0.294 0.000 1.136 60 L HN 0.867 nan 8.230 nan 0.000 0.466 61 D N -2.221 118.260 120.400 0.135 0.000 2.759 61 D HA 0.105 4.745 4.640 -0.000 0.000 0.321 61 D C -0.041 176.359 176.300 0.166 0.000 1.267 61 D CA -0.580 53.517 54.000 0.161 0.000 0.933 61 D CB 0.516 41.434 40.800 0.198 0.000 1.431 61 D HN 0.337 nan 8.370 nan 0.000 0.504 62 D N -0.822 119.617 120.400 0.065 0.000 2.116 62 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 62 D C 1.627 177.912 176.300 -0.025 0.000 0.998 62 D CA 1.411 55.396 54.000 -0.025 0.000 0.836 62 D CB -0.184 40.533 40.800 -0.137 0.000 0.951 62 D HN 0.422 nan 8.370 nan 0.000 0.449 63 H N -0.496 118.644 119.070 0.117 0.000 2.353 63 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 63 H C 2.088 177.467 175.328 0.086 0.000 1.090 63 H CA 1.033 57.144 56.048 0.106 0.000 1.327 63 H CB -0.569 29.282 29.762 0.149 0.000 1.383 63 H HN 0.279 nan 8.280 nan 0.000 0.508 64 Y N 2.292 122.658 120.300 0.109 0.000 2.030 64 Y HA -0.280 4.270 4.550 -0.000 0.000 0.274 64 Y C 2.669 178.529 175.900 -0.067 0.000 1.153 64 Y CA 1.818 59.854 58.100 -0.106 0.000 1.115 64 Y CB -0.260 38.036 38.460 -0.274 0.000 0.969 64 Y HN -0.019 nan 8.280 nan 0.000 0.488 65 R N 0.031 120.510 120.500 -0.035 0.000 2.139 65 R HA -0.183 4.157 4.340 -0.000 0.000 0.243 65 R C 1.712 177.941 176.300 -0.118 0.000 1.145 65 R CA 1.489 57.526 56.100 -0.106 0.000 0.976 65 R CB -0.471 29.836 30.300 0.011 0.000 0.866 65 R HN 0.450 nan 8.270 nan 0.000 0.449 66 D N 0.175 120.536 120.400 -0.065 0.000 2.123 66 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 66 D C 2.054 178.324 176.300 -0.050 0.000 0.976 66 D CA 0.975 54.950 54.000 -0.040 0.000 0.831 66 D CB -0.156 40.643 40.800 -0.003 0.000 0.974 66 D HN 0.010 nan 8.370 nan 0.000 0.469 67 V N 1.357 121.230 119.914 -0.069 0.000 2.307 67 V HA -0.192 3.927 4.120 -0.000 0.000 0.245 67 V C 2.477 178.508 176.094 -0.106 0.000 1.045 67 V CA 0.941 63.205 62.300 -0.060 0.000 1.024 67 V CB -0.513 31.268 31.823 -0.070 0.000 0.651 67 V HN 0.126 nan 8.190 nan 0.000 0.449 68 L N 0.881 121.953 121.223 -0.253 0.000 1.990 68 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 68 L C 2.429 179.217 176.870 -0.137 0.000 1.072 68 L CA 2.456 57.141 54.840 -0.258 0.000 0.755 68 L CB -0.952 40.857 42.059 -0.416 0.000 0.889 68 L HN 0.311 nan 8.230 nan 0.000 0.432 69 K N -0.605 119.727 120.400 -0.114 0.000 2.103 69 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 69 K C 1.898 178.472 176.600 -0.043 0.000 1.048 69 K CA 1.930 58.177 56.287 -0.067 0.000 0.930 69 K CB -0.121 32.347 32.500 -0.052 0.000 0.716 69 K HN 0.587 nan 8.250 nan 0.000 0.444 70 E N -0.002 120.180 120.200 -0.030 0.000 2.106 70 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 70 E C 2.068 178.663 176.600 -0.008 0.000 0.984 70 E CA 1.270 57.667 56.400 -0.005 0.000 0.806 70 E CB -0.053 29.660 29.700 0.021 0.000 0.750 70 E HN 0.376 nan 8.360 nan 0.000 0.458 71 M N 0.816 120.406 119.600 -0.016 0.000 2.077 71 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 71 M C 2.179 178.446 176.300 -0.055 0.000 1.070 71 M CA 1.458 56.736 55.300 -0.036 0.000 1.125 71 M CB -0.212 32.364 32.600 -0.040 0.000 1.339 71 M HN -0.068 nan 8.290 nan 0.000 0.409 72 K N 0.561 120.927 120.400 -0.058 0.000 2.074 72 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 72 K C 2.126 178.704 176.600 -0.036 0.000 1.048 72 K CA 1.571 57.827 56.287 -0.052 0.000 0.926 72 K CB -0.438 32.031 32.500 -0.052 0.000 0.713 72 K HN 0.329 nan 8.250 nan 0.000 0.444 73 A N 2.078 124.880 122.820 -0.030 0.000 1.883 73 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 73 A C 1.964 179.535 177.584 -0.021 0.000 1.186 73 A CA 1.801 53.826 52.037 -0.020 0.000 0.624 73 A CB -0.352 18.640 19.000 -0.014 0.000 0.822 73 A HN 0.245 nan 8.150 nan 0.000 0.444 74 K N -0.492 119.891 120.400 -0.028 0.000 2.155 74 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 74 K C 2.290 178.865 176.600 -0.040 0.000 1.052 74 K CA 0.870 57.136 56.287 -0.034 0.000 0.948 74 K CB -0.280 32.193 32.500 -0.045 0.000 0.728 74 K HN 0.440 nan 8.250 nan 0.000 0.448 75 A N 1.700 124.492 122.820 -0.046 0.000 1.902 75 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 75 A C 2.030 179.602 177.584 -0.019 0.000 1.181 75 A CA 2.008 54.022 52.037 -0.039 0.000 0.623 75 A CB -0.736 18.240 19.000 -0.040 0.000 0.818 75 A HN 0.374 nan 8.150 nan 0.000 0.443 76 S N -0.198 115.492 115.700 -0.016 0.000 2.711 76 S HA -0.028 4.442 4.470 -0.000 0.000 0.237 76 S C 1.020 175.617 174.600 -0.006 0.000 0.971 76 S CA 1.401 59.597 58.200 -0.007 0.000 0.964 76 S CB -1.123 62.072 63.200 -0.008 0.000 0.775 76 S HN 0.851 nan 8.310 nan 0.000 0.540 77 T N -2.173 112.375 114.554 -0.010 0.000 3.200 77 T HA 0.478 4.828 4.350 -0.000 0.000 0.284 77 T C -0.059 174.636 174.700 -0.009 0.000 1.009 77 T CA -0.417 61.678 62.100 -0.008 0.000 0.907 77 T CB 0.085 68.947 68.868 -0.010 0.000 1.120 77 T HN 0.138 nan 8.240 nan 0.000 0.534 78 V N 1.459 121.369 119.914 -0.008 0.000 2.513 78 V HA 0.583 4.703 4.120 -0.000 0.000 0.299 78 V C -0.308 175.788 176.094 0.004 0.000 1.035 78 V CA -1.002 61.293 62.300 -0.008 0.000 0.889 78 V CB 1.989 33.802 31.823 -0.016 0.000 0.988 78 V HN 0.327 nan 8.190 nan 0.000 0.440 79 K N 2.797 123.201 120.400 0.006 0.000 2.413 79 K HA 0.798 5.117 4.320 -0.000 0.000 0.257 79 K C -0.862 175.748 176.600 0.016 0.000 0.946 79 K CA -0.421 55.874 56.287 0.013 0.000 0.823 79 K CB 1.735 34.242 32.500 0.012 0.000 1.109 79 K HN 0.877 nan 8.250 nan 0.000 0.427 80 A N 4.166 127.000 122.820 0.024 0.000 2.355 80 A HA 0.482 4.802 4.320 -0.000 0.000 0.317 80 A C -0.860 176.747 177.584 0.038 0.000 1.094 80 A CA -0.892 51.163 52.037 0.030 0.000 0.764 80 A CB 0.860 19.876 19.000 0.027 0.000 1.230 80 A HN 0.852 nan 8.150 nan 0.000 0.448 81 K N 1.957 122.381 120.400 0.041 0.000 2.240 81 K HA 0.798 5.118 4.320 -0.000 0.000 0.237 81 K C -0.584 176.043 176.600 0.045 0.000 1.027 81 K CA -0.740 55.569 56.287 0.036 0.000 0.937 81 K CB 0.700 33.214 32.500 0.024 0.000 1.171 81 K HN 0.495 nan 8.250 nan 0.000 0.479 82 L N -0.042 121.196 121.223 0.025 0.000 2.657 82 L HA 0.458 4.798 4.340 -0.000 0.000 0.240 82 L C -0.302 176.551 176.870 -0.029 0.000 1.151 82 L CA -1.184 53.662 54.840 0.010 0.000 0.831 82 L CB 0.622 42.666 42.059 -0.025 0.000 1.539 82 L HN 0.470 nan 8.230 nan 0.000 0.511 83 L N 0.150 121.319 121.223 -0.090 0.000 2.438 83 L HA 0.292 4.632 4.340 -0.000 0.000 0.270 83 L C -0.356 176.402 176.870 -0.186 0.000 0.972 83 L CA -0.595 54.178 54.840 -0.112 0.000 0.831 83 L CB 2.130 44.132 42.059 -0.096 0.000 1.273 83 L HN 0.643 nan 8.230 nan 0.000 0.405 84 S N 1.355 116.957 115.700 -0.163 0.000 2.560 84 S HA 0.112 4.582 4.470 -0.000 0.000 0.284 84 S C 1.348 175.836 174.600 -0.186 0.000 1.327 84 S CA -0.796 57.295 58.200 -0.182 0.000 1.055 84 S CB 1.474 64.594 63.200 -0.133 0.000 0.868 84 S HN 0.365 nan 8.310 nan 0.000 0.506 85 V N 2.514 122.302 119.914 -0.210 0.000 2.311 85 V HA -0.298 3.822 4.120 -0.000 0.000 0.256 85 V C 2.712 178.728 176.094 -0.130 0.000 1.077 85 V CA 2.620 64.816 62.300 -0.173 0.000 1.067 85 V CB -1.317 30.411 31.823 -0.159 0.000 0.659 85 V HN 1.077 nan 8.190 nan 0.000 0.451 86 E N -0.075 120.053 120.200 -0.120 0.000 2.023 86 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 86 E C 2.274 178.810 176.600 -0.107 0.000 1.003 86 E CA 1.792 58.132 56.400 -0.100 0.000 0.809 86 E CB -0.235 29.412 29.700 -0.088 0.000 0.755 86 E HN 0.695 nan 8.360 nan 0.000 0.449 87 E N -0.309 119.820 120.200 -0.118 0.000 2.114 87 E HA -0.274 4.075 4.350 -0.000 0.000 0.199 87 E C 1.936 178.434 176.600 -0.170 0.000 1.008 87 E CA 1.212 57.531 56.400 -0.134 0.000 0.810 87 E CB -0.170 29.451 29.700 -0.133 0.000 0.739 87 E HN 0.409 nan 8.360 nan 0.000 0.456 88 A N 0.189 122.911 122.820 -0.163 0.000 1.929 88 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 88 A C 2.391 179.898 177.584 -0.128 0.000 1.176 88 A CA 1.003 52.940 52.037 -0.165 0.000 0.628 88 A CB -0.643 18.286 19.000 -0.119 0.000 0.816 88 A HN 0.400 nan 8.150 nan 0.000 0.444 89 C N -0.355 118.884 119.300 -0.101 0.000 2.411 89 C HA -0.102 4.358 4.460 -0.000 0.000 0.279 89 C C 2.599 177.535 174.990 -0.090 0.000 1.288 89 C CA 1.400 60.371 59.018 -0.079 0.000 1.764 89 C CB -1.095 26.602 27.740 -0.071 0.000 1.974 89 C HN 0.588 nan 8.230 nan 0.000 0.498 90 K N 0.259 120.599 120.400 -0.099 0.000 2.288 90 K HA 0.035 4.355 4.320 -0.000 0.000 0.201 90 K C 1.440 178.001 176.600 -0.065 0.000 1.048 90 K CA 0.813 57.050 56.287 -0.082 0.000 0.956 90 K CB -0.107 32.351 32.500 -0.071 0.000 0.746 90 K HN 0.518 nan 8.250 nan 0.000 0.461 91 L N 0.742 121.897 121.223 -0.113 0.000 2.599 91 L HA -0.003 4.337 4.340 -0.000 0.000 0.230 91 L C 0.291 177.117 176.870 -0.074 0.000 1.141 91 L CA 0.281 55.055 54.840 -0.111 0.000 0.877 91 L CB -0.008 41.889 42.059 -0.271 0.000 1.009 91 L HN -0.039 nan 8.230 nan 0.000 0.447 92 T N 1.491 115.987 114.554 -0.097 0.000 2.749 92 T HA 0.234 4.584 4.350 -0.000 0.000 0.295 92 T C -2.332 172.235 174.700 -0.221 0.000 0.936 92 T CA -1.205 60.822 62.100 -0.122 0.000 1.060 92 T CB 1.081 69.892 68.868 -0.095 0.000 0.904 92 T HN -0.168 nan 8.240 nan 0.000 0.500 93 P HA 0.132 nan 4.420 nan 0.000 0.267 93 P C -1.866 175.167 177.300 -0.445 0.000 1.205 93 P CA -1.274 61.569 63.100 -0.429 0.000 0.765 93 P CB 0.304 31.715 31.700 -0.482 0.000 0.828 94 P HA -0.222 nan 4.420 nan 0.000 0.217 94 P C 0.929 178.200 177.300 -0.049 0.000 1.151 94 P CA 1.675 64.654 63.100 -0.200 0.000 0.849 94 P CB -0.384 31.228 31.700 -0.147 0.000 0.787 95 H N -3.121 115.875 119.070 -0.123 0.000 2.526 95 H HA 0.286 4.842 4.556 -0.000 0.000 0.274 95 H C 0.567 175.846 175.328 -0.082 0.000 0.999 95 H CA -0.143 55.858 56.048 -0.077 0.000 1.157 95 H CB -0.713 29.019 29.762 -0.051 0.000 1.407 95 H HN -0.035 nan 8.280 nan 0.000 0.568 96 S N 0.815 116.349 115.700 -0.276 0.000 2.559 96 S HA 0.291 4.761 4.470 -0.000 0.000 0.282 96 S C 0.616 175.133 174.600 -0.138 0.000 1.336 96 S CA -0.097 57.965 58.200 -0.231 0.000 1.037 96 S CB 0.131 63.210 63.200 -0.201 0.000 0.853 96 S HN 0.686 nan 8.310 nan 0.000 0.523 97 A N 3.927 126.656 122.820 -0.151 0.000 2.488 97 A HA 0.323 4.643 4.320 -0.000 0.000 0.249 97 A C 0.447 177.979 177.584 -0.087 0.000 1.083 97 A CA -0.387 51.581 52.037 -0.115 0.000 0.768 97 A CB -0.166 18.740 19.000 -0.156 0.000 1.017 97 A HN 0.865 nan 8.150 nan 0.000 0.496 98 K N 2.188 122.537 120.400 -0.085 0.000 2.319 98 K HA 0.333 4.653 4.320 -0.000 0.000 0.265 98 K C 0.378 176.872 176.600 -0.176 0.000 1.000 98 K CA 0.066 56.274 56.287 -0.131 0.000 0.943 98 K CB 0.492 32.922 32.500 -0.116 0.000 0.950 98 K HN 0.468 nan 8.250 nan 0.000 0.485 99 S N 0.729 116.221 115.700 -0.346 0.000 2.593 99 S HA 0.058 4.528 4.470 -0.000 0.000 0.269 99 S C 0.481 174.861 174.600 -0.367 0.000 1.334 99 S CA -0.516 57.447 58.200 -0.396 0.000 1.015 99 S CB 0.624 63.293 63.200 -0.884 0.000 0.912 99 S HN 0.702 nan 8.310 nan 0.000 0.541 100 K N 1.601 121.757 120.400 -0.406 0.000 2.487 100 K HA 0.105 4.425 4.320 -0.000 0.000 0.192 100 K C -0.421 175.715 176.600 -0.773 0.000 1.027 100 K CA 0.579 56.515 56.287 -0.585 0.000 1.054 100 K CB -0.042 32.005 32.500 -0.754 0.000 0.824 100 K HN 0.578 nan 8.250 nan 0.000 0.510 101 F N 0.457 120.233 119.950 -0.290 0.000 2.883 101 F HA 0.258 4.785 4.527 -0.000 0.000 0.312 101 F C 1.369 177.104 175.800 -0.108 0.000 1.246 101 F CA -0.421 57.442 58.000 -0.229 0.000 1.238 101 F CB 0.591 39.318 39.000 -0.456 0.000 1.195 101 F HN 0.125 nan 8.300 nan 0.000 0.526 102 G N 0.285 109.075 108.800 -0.016 0.000 2.708 102 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.229 102 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.229 102 G C 0.349 175.301 174.900 0.085 0.000 1.236 102 G CA 0.444 45.583 45.100 0.065 0.000 0.749 102 G HN 0.537 nan 8.290 nan 0.000 0.515 103 Y N -0.005 120.284 120.300 -0.019 0.000 2.418 103 Y HA 0.742 5.292 4.550 -0.000 0.000 0.327 103 Y C 0.929 176.818 175.900 -0.018 0.000 1.309 103 Y CA -0.575 57.516 58.100 -0.015 0.000 1.423 103 Y CB 0.680 39.135 38.460 -0.009 0.000 1.423 103 Y HN 0.601 nan 8.280 nan 0.000 0.532 104 G N -1.292 107.558 108.800 0.083 0.000 3.022 104 G HA2 0.472 4.432 3.960 -0.000 0.000 0.284 104 G HA3 0.472 4.432 3.960 -0.000 0.000 0.284 104 G C 0.113 175.042 174.900 0.048 0.000 1.375 104 G CA -0.762 44.328 45.100 -0.016 0.000 0.902 104 G HN 0.952 nan 8.290 nan 0.000 0.538 105 A N -0.176 122.639 122.820 -0.008 0.000 1.865 105 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 105 A C 2.129 179.704 177.584 -0.016 0.000 1.191 105 A CA 2.427 54.450 52.037 -0.023 0.000 0.623 105 A CB -0.604 18.356 19.000 -0.066 0.000 0.826 105 A HN 0.616 nan 8.150 nan 0.000 0.444 106 K N -0.527 119.865 120.400 -0.015 0.000 2.147 106 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 106 K C 1.218 177.818 176.600 -0.000 0.000 1.049 106 K CA 1.687 57.961 56.287 -0.021 0.000 0.936 106 K CB -0.178 32.313 32.500 -0.016 0.000 0.722 106 K HN 0.423 nan 8.250 nan 0.000 0.446 107 D N 0.112 120.535 120.400 0.039 0.000 2.144 107 D HA -0.136 4.503 4.640 -0.000 0.000 0.199 107 D C 1.904 178.226 176.300 0.036 0.000 0.984 107 D CA 1.028 55.060 54.000 0.053 0.000 0.834 107 D CB -0.172 40.703 40.800 0.125 0.000 0.955 107 D HN 0.059 nan 8.370 nan 0.000 0.465 108 V N 1.000 120.960 119.914 0.076 0.000 2.358 108 V HA -0.173 3.946 4.120 -0.000 0.000 0.246 108 V C 2.458 178.540 176.094 -0.019 0.000 1.047 108 V CA 1.407 63.734 62.300 0.044 0.000 1.035 108 V CB -0.334 31.549 31.823 0.100 0.000 0.658 108 V HN 0.121 nan 8.190 nan 0.000 0.452 109 R N 0.875 121.353 120.500 -0.037 0.000 2.092 109 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 109 R C 2.167 178.433 176.300 -0.055 0.000 1.119 109 R CA 1.599 57.658 56.100 -0.068 0.000 0.970 109 R CB -0.413 29.824 30.300 -0.104 0.000 0.864 109 R HN 0.648 nan 8.270 nan 0.000 0.440 110 S N 0.726 116.402 115.700 -0.041 0.000 2.710 110 S HA 0.118 4.588 4.470 -0.000 0.000 0.224 110 S C 0.948 175.524 174.600 -0.039 0.000 0.948 110 S CA -0.210 57.968 58.200 -0.036 0.000 0.949 110 S CB -0.400 62.785 63.200 -0.026 0.000 0.778 110 S HN 0.333 nan 8.310 nan 0.000 0.498 111 L N 1.372 122.566 121.223 -0.047 0.000 3.991 111 L HA -0.235 4.105 4.340 -0.000 0.000 0.437 111 L C 0.987 177.821 176.870 -0.060 0.000 1.138 111 L CA 0.424 55.229 54.840 -0.058 0.000 0.964 111 L CB -2.875 39.150 42.059 -0.057 0.000 1.867 111 L HN 0.767 nan 8.230 nan 0.000 1.028 112 S N -1.410 114.258 115.700 -0.053 0.000 2.549 112 S HA 0.062 4.532 4.470 -0.000 0.000 0.278 112 S C 1.411 175.965 174.600 -0.076 0.000 1.344 112 S CA 0.274 58.444 58.200 -0.051 0.000 1.025 112 S CB 1.468 64.648 63.200 -0.033 0.000 0.851 112 S HN 0.290 nan 8.310 nan 0.000 0.530 113 S N 2.143 117.806 115.700 -0.062 0.000 2.344 113 S HA -0.117 4.353 4.470 -0.000 0.000 0.217 113 S C 1.944 176.486 174.600 -0.096 0.000 1.033 113 S CA 1.143 59.302 58.200 -0.068 0.000 1.017 113 S CB -0.701 62.473 63.200 -0.043 0.000 0.941 113 S HN 0.808 nan 8.310 nan 0.000 0.430 114 R N 1.222 121.675 120.500 -0.079 0.000 2.140 114 R HA -0.241 4.099 4.340 -0.000 0.000 0.250 114 R C 2.243 178.389 176.300 -0.257 0.000 1.150 114 R CA 1.669 57.715 56.100 -0.090 0.000 0.966 114 R CB -0.563 29.724 30.300 -0.022 0.000 0.869 114 R HN 0.407 nan 8.270 nan 0.000 0.445 115 A N 0.402 122.980 122.820 -0.404 0.000 1.832 115 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 115 A C 2.266 179.556 177.584 -0.492 0.000 1.200 115 A CA 1.836 53.354 52.037 -0.866 0.000 0.610 115 A CB -1.081 17.587 19.000 -0.554 0.000 0.842 115 A HN 0.380 nan 8.150 nan 0.000 0.444 116 V N -1.052 118.709 119.914 -0.255 0.000 2.828 116 V HA -0.229 3.891 4.120 -0.000 0.000 0.260 116 V C 1.574 177.595 176.094 -0.121 0.000 1.101 116 V CA 2.371 64.577 62.300 -0.156 0.000 1.123 116 V CB -1.137 30.617 31.823 -0.115 0.000 0.704 116 V HN 0.502 nan 8.190 nan 0.000 0.493 117 N N -0.075 118.552 118.700 -0.121 0.000 2.250 117 N HA -0.113 4.626 4.740 -0.000 0.000 0.181 117 N C 1.885 177.363 175.510 -0.053 0.000 1.017 117 N CA 1.687 54.694 53.050 -0.071 0.000 0.866 117 N CB -0.591 37.866 38.487 -0.049 0.000 0.985 117 N HN 0.746 nan 8.380 nan 0.000 0.429 118 H N 1.352 120.321 119.070 -0.168 0.000 2.363 118 H HA 0.128 4.683 4.556 -0.000 0.000 0.301 118 H C 2.074 177.359 175.328 -0.072 0.000 1.074 118 H CA 0.760 56.738 56.048 -0.116 0.000 1.354 118 H CB 0.118 29.840 29.762 -0.067 0.000 1.397 118 H HN 0.078 nan 8.280 nan 0.000 0.516 119 I N 0.621 121.197 120.570 0.011 0.000 2.208 119 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 119 I C 2.750 178.872 176.117 0.008 0.000 1.097 119 I CA 1.262 62.583 61.300 0.035 0.000 1.363 119 I CB -0.195 37.814 38.000 0.014 0.000 1.051 119 I HN 0.206 nan 8.210 nan 0.000 0.413 120 R N 0.400 120.882 120.500 -0.030 0.000 2.090 120 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 120 R C 2.571 178.878 176.300 0.012 0.000 1.110 120 R CA 1.609 57.712 56.100 0.004 0.000 0.973 120 R CB -0.304 29.975 30.300 -0.035 0.000 0.869 120 R HN 0.461 nan 8.270 nan 0.000 0.440 121 S N 0.211 115.856 115.700 -0.091 0.000 2.402 121 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 121 S C 2.106 176.610 174.600 -0.160 0.000 1.021 121 S CA 0.993 59.113 58.200 -0.133 0.000 0.974 121 S CB -0.404 62.668 63.200 -0.212 0.000 0.800 121 S HN 0.029 nan 8.310 nan 0.000 0.484 122 V N 0.952 120.738 119.914 -0.214 0.000 2.358 122 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 122 V C 2.250 178.321 176.094 -0.039 0.000 1.047 122 V CA 1.745 63.941 62.300 -0.174 0.000 1.035 122 V CB -1.009 30.722 31.823 -0.152 0.000 0.658 122 V HN 0.717 nan 8.190 nan 0.000 0.452 123 W N 1.465 122.696 121.300 -0.115 0.000 2.335 123 W HA -0.240 4.420 4.660 0.000 0.000 0.311 123 W C 2.503 178.977 176.519 -0.075 0.000 1.213 123 W CA 2.364 59.662 57.345 -0.077 0.000 1.274 123 W CB -0.201 29.221 29.460 -0.062 0.000 1.148 123 W HN 0.237 nan 8.180 nan 0.000 0.498 124 K N 0.512 120.966 120.400 0.090 0.000 2.103 124 K HA -0.270 4.050 4.320 -0.000 0.000 0.207 124 K C 1.729 178.263 176.600 -0.110 0.000 1.048 124 K CA 2.223 58.511 56.287 0.001 0.000 0.930 124 K CB -0.576 31.942 32.500 0.030 0.000 0.716 124 K HN -0.002 nan 8.250 nan 0.000 0.444 125 D N 0.264 120.589 120.400 -0.124 0.000 2.219 125 D HA -0.120 4.520 4.640 -0.000 0.000 0.205 125 D C 1.843 178.037 176.300 -0.178 0.000 0.970 125 D CA 0.798 54.717 54.000 -0.136 0.000 0.851 125 D CB 0.095 40.813 40.800 -0.137 0.000 0.943 125 D HN 0.239 nan 8.370 nan 0.000 0.488 126 L N -0.247 120.818 121.223 -0.262 0.000 2.156 126 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 126 L C 2.235 178.912 176.870 -0.322 0.000 1.095 126 L CA 0.499 55.145 54.840 -0.323 0.000 0.770 126 L CB -0.153 41.620 42.059 -0.477 0.000 0.914 126 L HN 0.183 nan 8.230 nan 0.000 0.439 127 L N -1.079 119.942 121.223 -0.337 0.000 2.240 127 L HA -0.089 4.250 4.340 -0.000 0.000 0.211 127 L C 2.131 178.915 176.870 -0.143 0.000 1.106 127 L CA 0.893 55.587 54.840 -0.243 0.000 0.793 127 L CB -0.266 41.669 42.059 -0.207 0.000 0.927 127 L HN 0.265 nan 8.230 nan 0.000 0.446 128 E N -0.835 119.289 120.200 -0.126 0.000 2.216 128 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 128 E C 0.182 176.734 176.600 -0.080 0.000 0.973 128 E CA 0.176 56.525 56.400 -0.085 0.000 0.851 128 E CB 0.373 30.032 29.700 -0.068 0.000 0.804 128 E HN 0.155 nan 8.360 nan 0.000 0.477 129 D N 0.693 121.036 120.400 -0.095 0.000 2.381 129 D HA 0.061 4.701 4.640 -0.000 0.000 0.235 129 D C -0.267 175.978 176.300 -0.093 0.000 1.068 129 D CA -0.350 53.602 54.000 -0.080 0.000 0.832 129 D CB 1.343 42.100 40.800 -0.073 0.000 1.101 129 D HN -0.030 nan 8.370 nan 0.000 0.515 130 T N 0.182 114.690 114.554 -0.076 0.000 3.266 130 T HA 0.327 4.677 4.350 -0.000 0.000 0.278 130 T C 0.081 174.746 174.700 -0.058 0.000 1.010 130 T CA -0.436 61.617 62.100 -0.078 0.000 0.909 130 T CB 0.277 69.103 68.868 -0.070 0.000 1.122 130 T HN 0.250 nan 8.240 nan 0.000 0.536 131 D N 0.608 120.978 120.400 -0.050 0.000 2.212 131 D HA 0.074 4.714 4.640 -0.000 0.000 0.311 131 D C -0.026 176.259 176.300 -0.025 0.000 1.091 131 D CA 0.277 54.257 54.000 -0.033 0.000 0.910 131 D CB 0.575 41.359 40.800 -0.026 0.000 1.707 131 D HN 0.307 nan 8.370 nan 0.000 0.522 132 T N 4.340 118.876 114.554 -0.029 0.000 2.817 132 T HA 0.201 4.550 4.350 -0.000 0.000 0.295 132 T C -2.531 172.158 174.700 -0.019 0.000 0.958 132 T CA -0.794 61.297 62.100 -0.016 0.000 1.157 132 T CB 1.166 70.023 68.868 -0.018 0.000 0.898 132 T HN -0.114 nan 8.240 nan 0.000 0.536 133 P HA 0.129 nan 4.420 nan 0.000 0.263 133 P C 0.011 177.294 177.300 -0.028 0.000 1.195 133 P CA -0.045 63.052 63.100 -0.004 0.000 0.762 133 P CB 0.218 31.950 31.700 0.055 0.000 0.799 134 I N 2.536 123.074 120.570 -0.054 0.000 2.638 134 I HA 0.080 4.249 4.170 -0.000 0.000 0.286 134 I C 1.124 177.209 176.117 -0.053 0.000 1.088 134 I CA -0.290 60.984 61.300 -0.044 0.000 1.397 134 I CB 0.622 38.589 38.000 -0.057 0.000 1.414 134 I HN 0.360 nan 8.210 nan 0.000 0.566 135 Q N 3.792 123.577 119.800 -0.025 0.000 2.354 135 Q HA 0.344 4.684 4.340 -0.000 0.000 0.244 135 Q C -0.514 175.440 176.000 -0.077 0.000 0.969 135 Q CA -0.139 55.635 55.803 -0.049 0.000 0.885 135 Q CB 1.161 29.894 28.738 -0.009 0.000 1.241 135 Q HN 0.769 nan 8.270 nan 0.000 0.461 136 T N -1.252 113.222 114.554 -0.134 0.000 2.864 136 T HA 0.658 5.008 4.350 -0.000 0.000 0.299 136 T C -0.788 173.732 174.700 -0.300 0.000 1.166 136 T CA -0.954 61.019 62.100 -0.212 0.000 1.007 136 T CB 1.646 70.400 68.868 -0.189 0.000 1.219 136 T HN 0.449 nan 8.240 nan 0.000 0.506 137 T N 1.783 115.990 114.554 -0.578 0.000 2.823 137 T HA 0.639 4.989 4.350 -0.000 0.000 0.279 137 T C -0.666 173.696 174.700 -0.563 0.000 0.998 137 T CA -0.667 61.075 62.100 -0.597 0.000 0.994 137 T CB 1.065 69.476 68.868 -0.762 0.000 0.960 137 T HN 0.760 nan 8.240 nan 0.000 0.448 138 I N 4.231 124.679 120.570 -0.202 0.000 2.382 138 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 138 I C -0.984 175.171 176.117 0.062 0.000 1.007 138 I CA -0.803 60.478 61.300 -0.032 0.000 1.142 138 I CB 0.528 38.552 38.000 0.040 0.000 1.289 138 I HN 0.403 nan 8.210 nan 0.000 0.453 139 M N 5.993 125.694 119.600 0.167 0.000 2.664 139 M HA 0.560 5.040 4.480 -0.000 0.000 0.314 139 M C -0.237 176.136 176.300 0.121 0.000 1.200 139 M CA -0.642 54.758 55.300 0.166 0.000 0.916 139 M CB 1.757 34.508 32.600 0.253 0.000 1.717 139 M HN 0.567 nan 8.290 nan 0.000 0.470 140 A N 1.931 124.799 122.820 0.081 0.000 2.290 140 A HA 0.521 4.841 4.320 -0.000 0.000 0.310 140 A C -0.076 177.545 177.584 0.062 0.000 1.202 140 A CA -0.612 51.462 52.037 0.060 0.000 0.837 140 A CB 0.430 19.453 19.000 0.038 0.000 1.139 140 A HN 0.771 nan 8.150 nan 0.000 0.509 141 K N 1.510 121.946 120.400 0.060 0.000 2.168 141 K HA 0.181 4.500 4.320 -0.000 0.000 0.258 141 K C -0.556 176.052 176.600 0.015 0.000 1.010 141 K CA -0.019 56.291 56.287 0.038 0.000 0.929 141 K CB 0.666 33.191 32.500 0.043 0.000 0.998 141 K HN 0.769 nan 8.250 nan 0.000 0.479 142 N N 2.259 120.941 118.700 -0.031 0.000 2.623 142 N HA 0.109 4.849 4.740 -0.000 0.000 0.256 142 N C -1.436 173.951 175.510 -0.205 0.000 1.045 142 N CA -0.287 52.714 53.050 -0.083 0.000 0.863 142 N CB 1.171 39.627 38.487 -0.052 0.000 1.182 142 N HN 0.441 nan 8.380 nan 0.000 0.523 143 E N 0.810 120.838 120.200 -0.287 0.000 2.244 143 E HA 0.446 4.795 4.350 -0.000 0.000 0.266 143 E C -0.627 175.428 176.600 -0.908 0.000 0.914 143 E CA -0.929 55.144 56.400 -0.545 0.000 0.794 143 E CB 2.555 31.946 29.700 -0.514 0.000 1.210 143 E HN 0.042 nan 8.360 nan 0.000 0.414 144 V N 2.707 121.997 119.914 -1.041 0.000 2.567 144 V HA 0.434 4.554 4.120 -0.000 0.000 0.289 144 V C -0.562 174.815 176.094 -1.194 0.000 1.049 144 V CA -0.105 61.550 62.300 -1.075 0.000 0.969 144 V CB 0.094 31.371 31.823 -0.909 0.000 0.995 144 V HN 0.544 nan 8.190 nan 0.000 0.471 145 F N 1.554 121.122 119.950 -0.636 0.000 2.849 145 F HA 0.684 5.210 4.527 -0.000 0.000 0.341 145 F C 0.004 175.696 175.800 -0.180 0.000 1.185 145 F CA -0.679 57.065 58.000 -0.426 0.000 1.007 145 F CB 1.478 40.194 39.000 -0.473 0.000 1.454 145 F HN 0.561 nan 8.300 nan 0.000 0.518 146 C N 1.147 120.640 119.300 0.321 0.000 2.561 146 C HA 0.832 5.292 4.460 -0.000 0.000 0.319 146 C C -0.725 174.505 174.990 0.400 0.000 1.198 146 C CA -0.565 58.647 59.018 0.323 0.000 1.665 146 C CB 1.014 28.852 27.740 0.163 0.000 2.258 146 C HN 0.507 nan 8.230 nan 0.000 0.493 147 V N 6.182 126.266 119.914 0.284 0.000 2.488 147 V HA 0.285 4.405 4.120 -0.000 0.000 0.277 147 V C 0.202 176.329 176.094 0.055 0.000 1.046 147 V CA 0.345 62.709 62.300 0.107 0.000 0.986 147 V CB 0.950 32.769 31.823 -0.008 0.000 0.989 147 V HN 0.893 nan 8.190 nan 0.000 0.475 148 Q N 5.107 124.922 119.800 0.026 0.000 2.394 148 Q HA 0.413 4.753 4.340 -0.000 0.000 0.261 148 Q C -2.636 173.352 176.000 -0.020 0.000 1.023 148 Q CA -1.876 53.928 55.803 0.002 0.000 0.720 148 Q CB 1.917 30.657 28.738 0.004 0.000 1.241 148 Q HN 0.354 nan 8.270 nan 0.000 0.483 149 P HA -0.186 nan 4.420 nan 0.000 0.221 149 P C 0.126 177.411 177.300 -0.026 0.000 1.145 149 P CA 1.246 64.330 63.100 -0.028 0.000 0.795 149 P CB 0.313 32.000 31.700 -0.023 0.000 0.775 150 E N -0.657 119.529 120.200 -0.023 0.000 2.409 150 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 150 E C 1.217 177.802 176.600 -0.025 0.000 1.024 150 E CA 0.977 57.364 56.400 -0.022 0.000 0.861 150 E CB -0.425 29.263 29.700 -0.021 0.000 0.788 150 E HN 0.184 nan 8.360 nan 0.000 0.521 151 K N -0.788 119.595 120.400 -0.029 0.000 2.374 151 K HA 0.320 4.639 4.320 -0.000 0.000 0.202 151 K C 0.511 177.090 176.600 -0.036 0.000 1.040 151 K CA 0.447 56.714 56.287 -0.033 0.000 1.085 151 K CB 1.259 33.735 32.500 -0.040 0.000 0.873 151 K HN 0.138 nan 8.250 nan 0.000 0.539 152 G N -0.081 108.698 108.800 -0.036 0.000 2.215 152 G HA2 0.067 4.027 3.960 -0.000 0.000 0.198 152 G HA3 0.067 4.027 3.960 -0.000 0.000 0.198 152 G C 0.589 175.459 174.900 -0.050 0.000 1.047 152 G CA 0.085 45.163 45.100 -0.037 0.000 0.747 152 G HN 0.609 nan 8.290 nan 0.000 0.495 153 G N -0.232 108.533 108.800 -0.058 0.000 2.527 153 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.262 153 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.262 153 G C 0.287 175.117 174.900 -0.116 0.000 1.153 153 G CA 0.589 45.635 45.100 -0.089 0.000 0.954 153 G HN 1.195 nan 8.290 nan 0.000 0.552 154 R N 1.017 121.420 120.500 -0.161 0.000 2.573 154 R HA 0.570 4.910 4.340 -0.000 0.000 0.272 154 R C 0.030 176.301 176.300 -0.048 0.000 1.009 154 R CA -0.361 55.638 56.100 -0.169 0.000 1.059 154 R CB 1.090 31.159 30.300 -0.386 0.000 1.112 154 R HN 0.768 nan 8.270 nan 0.000 0.517 155 K N 0.852 121.262 120.400 0.017 0.000 2.182 155 K HA 0.466 4.786 4.320 -0.000 0.000 0.262 155 K C -2.637 173.976 176.600 0.023 0.000 0.957 155 K CA -2.039 54.217 56.287 -0.051 0.000 0.842 155 K CB 1.140 33.504 32.500 -0.227 0.000 1.099 155 K HN 0.163 nan 8.250 nan 0.000 0.438 156 P HA -0.048 nan 4.420 nan 0.000 0.268 156 P C -0.707 176.630 177.300 0.062 0.000 1.208 156 P CA -0.132 62.990 63.100 0.038 0.000 0.777 156 P CB 0.567 32.274 31.700 0.012 0.000 0.875 157 A N 3.176 126.042 122.820 0.077 0.000 2.425 157 A HA 0.178 4.498 4.320 -0.000 0.000 0.242 157 A C 0.447 178.076 177.584 0.075 0.000 1.077 157 A CA -0.046 52.047 52.037 0.093 0.000 0.781 157 A CB 0.032 19.075 19.000 0.072 0.000 1.020 157 A HN 0.462 nan 8.150 nan 0.000 0.494 158 R N 0.326 120.884 120.500 0.096 0.000 2.528 158 R HA 0.513 4.853 4.340 -0.000 0.000 0.271 158 R C -0.696 175.653 176.300 0.081 0.000 1.056 158 R CA -0.419 55.736 56.100 0.092 0.000 1.117 158 R CB 0.607 30.975 30.300 0.114 0.000 1.085 158 R HN 0.661 nan 8.270 nan 0.000 0.530 159 L N 2.034 123.308 121.223 0.085 0.000 2.360 159 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 159 L C -0.369 176.578 176.870 0.129 0.000 1.057 159 L CA -0.999 53.894 54.840 0.088 0.000 0.803 159 L CB 1.193 43.287 42.059 0.058 0.000 1.207 159 L HN 0.432 nan 8.230 nan 0.000 0.445 160 I N 2.041 122.708 120.570 0.161 0.000 2.478 160 I HA 0.436 4.605 4.170 -0.000 0.000 0.287 160 I C -0.984 175.312 176.117 0.298 0.000 1.042 160 I CA -0.362 61.074 61.300 0.225 0.000 1.067 160 I CB 1.865 39.993 38.000 0.213 0.000 1.233 160 I HN 0.158 nan 8.210 nan 0.000 0.431 161 V N 9.161 129.232 119.914 0.263 0.000 2.378 161 V HA 0.609 4.729 4.120 -0.000 0.000 0.288 161 V C -0.537 175.681 176.094 0.206 0.000 1.016 161 V CA -0.427 61.959 62.300 0.142 0.000 0.840 161 V CB 0.923 32.812 31.823 0.110 0.000 0.994 161 V HN 0.597 nan 8.190 nan 0.000 0.431 162 F N 4.958 124.944 119.950 0.059 0.000 2.643 162 F HA 0.978 5.505 4.527 -0.000 0.000 0.314 162 F C -3.060 172.770 175.800 0.049 0.000 1.096 162 F CA -2.734 55.302 58.000 0.059 0.000 0.953 162 F CB 1.931 40.960 39.000 0.048 0.000 1.345 162 F HN 0.268 nan 8.300 nan 0.000 0.468 163 P HA 0.151 nan 4.420 nan 0.000 0.287 163 P C -1.129 176.302 177.300 0.219 0.000 1.279 163 P CA -0.254 62.911 63.100 0.108 0.000 0.867 163 P CB 1.878 33.641 31.700 0.104 0.000 1.127 164 D N 0.844 121.347 120.400 0.172 0.000 2.419 164 D HA -0.085 4.555 4.640 -0.000 0.000 0.236 164 D C 1.332 177.752 176.300 0.200 0.000 1.165 164 D CA -0.249 53.871 54.000 0.200 0.000 0.882 164 D CB 0.814 41.761 40.800 0.245 0.000 1.201 164 D HN 0.126 nan 8.370 nan 0.000 0.443 165 L N 4.590 125.898 121.223 0.142 0.000 2.089 165 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 165 L C 2.203 179.206 176.870 0.220 0.000 1.079 165 L CA 2.665 57.579 54.840 0.124 0.000 0.758 165 L CB -1.098 40.971 42.059 0.017 0.000 0.891 165 L HN 0.718 nan 8.230 nan 0.000 0.433 166 G N -1.180 107.813 108.800 0.321 0.000 2.587 166 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 166 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 166 G C 1.577 176.625 174.900 0.248 0.000 1.240 166 G CA 1.538 46.886 45.100 0.414 0.000 0.794 166 G HN 0.332 nan 8.290 nan 0.000 0.580 167 V N 1.139 121.173 119.914 0.200 0.000 2.250 167 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 167 V C 2.977 179.159 176.094 0.147 0.000 1.060 167 V CA 2.425 64.807 62.300 0.136 0.000 1.030 167 V CB -0.594 31.291 31.823 0.103 0.000 0.643 167 V HN 0.364 nan 8.190 nan 0.000 0.445 168 R N -0.449 120.144 120.500 0.155 0.000 2.117 168 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 168 R C 2.149 178.526 176.300 0.129 0.000 1.143 168 R CA 1.732 57.917 56.100 0.141 0.000 0.968 168 R CB -0.684 29.689 30.300 0.122 0.000 0.863 168 R HN 0.475 nan 8.270 nan 0.000 0.444 169 V N 0.010 120.003 119.914 0.132 0.000 2.548 169 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 169 V C 2.447 178.617 176.094 0.127 0.000 1.055 169 V CA 1.266 63.627 62.300 0.102 0.000 1.065 169 V CB -0.346 31.535 31.823 0.096 0.000 0.681 169 V HN 0.429 nan 8.190 nan 0.000 0.462 170 C N -0.202 119.213 119.300 0.192 0.000 2.453 170 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 170 C C 2.687 177.861 174.990 0.308 0.000 1.262 170 C CA 0.821 60.034 59.018 0.325 0.000 1.718 170 C CB -0.816 27.122 27.740 0.330 0.000 2.031 170 C HN 0.598 nan 8.230 nan 0.000 0.480 171 E N 0.765 121.093 120.200 0.213 0.000 2.114 171 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 171 E C 2.176 178.900 176.600 0.207 0.000 1.008 171 E CA 1.444 57.968 56.400 0.207 0.000 0.810 171 E CB -0.139 29.683 29.700 0.205 0.000 0.739 171 E HN 0.621 nan 8.360 nan 0.000 0.456 172 K N 0.073 120.577 120.400 0.173 0.000 2.026 172 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 172 K C 2.225 178.911 176.600 0.143 0.000 1.048 172 K CA 1.539 57.923 56.287 0.161 0.000 0.929 172 K CB -0.171 32.357 32.500 0.047 0.000 0.713 172 K HN 0.170 nan 8.250 nan 0.000 0.439 173 M N 0.222 119.881 119.600 0.097 0.000 2.149 173 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 173 M C 2.395 178.777 176.300 0.137 0.000 1.064 173 M CA 1.699 57.008 55.300 0.015 0.000 1.102 173 M CB -0.336 32.144 32.600 -0.201 0.000 1.369 173 M HN 0.218 nan 8.290 nan 0.000 0.408 174 A N 0.002 123.007 122.820 0.307 0.000 1.887 174 A HA 0.100 4.419 4.320 -0.000 0.000 0.212 174 A C 1.900 179.582 177.584 0.163 0.000 1.198 174 A CA 0.881 53.105 52.037 0.311 0.000 0.628 174 A CB -0.294 18.904 19.000 0.329 0.000 0.847 174 A HN 0.455 nan 8.150 nan 0.000 0.449 175 L N -2.599 118.704 121.223 0.134 0.000 2.638 175 L HA 0.159 4.499 4.340 -0.000 0.000 0.232 175 L C 2.115 179.016 176.870 0.051 0.000 1.099 175 L CA 0.178 55.036 54.840 0.030 0.000 0.883 175 L CB -0.317 41.712 42.059 -0.051 0.000 1.136 175 L HN 0.491 nan 8.230 nan 0.000 0.492 176 Y N 1.857 122.175 120.300 0.031 0.000 2.102 176 Y HA -0.399 4.151 4.550 -0.000 0.000 0.280 176 Y C 2.297 178.232 175.900 0.059 0.000 1.178 176 Y CA 2.351 60.481 58.100 0.050 0.000 1.146 176 Y CB -0.018 38.459 38.460 0.028 0.000 0.968 176 Y HN 0.240 nan 8.280 nan 0.000 0.504 177 D N -0.830 119.673 120.400 0.171 0.000 2.178 177 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 177 D C 2.037 178.317 176.300 -0.033 0.000 0.974 177 D CA 1.337 55.387 54.000 0.082 0.000 0.841 177 D CB -0.106 40.769 40.800 0.125 0.000 0.953 177 D HN 0.293 nan 8.370 nan 0.000 0.478 178 V N 0.543 120.426 119.914 -0.050 0.000 2.283 178 V HA -0.168 3.952 4.120 -0.000 0.000 0.243 178 V C 2.638 178.650 176.094 -0.136 0.000 1.039 178 V CA 1.571 63.819 62.300 -0.086 0.000 1.016 178 V CB -0.786 30.963 31.823 -0.124 0.000 0.650 178 V HN 0.309 nan 8.190 nan 0.000 0.449 179 V N -1.923 117.883 119.914 -0.180 0.000 3.383 179 V HA -0.015 4.104 4.120 -0.000 0.000 0.272 179 V C 1.553 177.513 176.094 -0.223 0.000 1.181 179 V CA 1.897 64.082 62.300 -0.193 0.000 1.171 179 V CB -0.469 31.249 31.823 -0.175 0.000 0.800 179 V HN 0.448 nan 8.190 nan 0.000 0.515 180 S N -0.626 114.952 115.700 -0.202 0.000 2.559 180 S HA 0.233 4.703 4.470 -0.000 0.000 0.226 180 S C 1.336 175.871 174.600 -0.108 0.000 1.000 180 S CA 0.586 58.690 58.200 -0.160 0.000 0.948 180 S CB 0.622 63.712 63.200 -0.184 0.000 0.870 180 S HN 0.766 nan 8.310 nan 0.000 0.497 181 T N 0.670 115.146 114.554 -0.130 0.000 3.236 181 T HA 0.178 4.528 4.350 -0.000 0.000 0.265 181 T C 1.323 175.931 174.700 -0.153 0.000 0.912 181 T CA -0.221 61.813 62.100 -0.110 0.000 0.946 181 T CB -0.243 68.591 68.868 -0.056 0.000 1.241 181 T HN 0.140 nan 8.240 nan 0.000 0.513 182 L N 2.866 124.006 121.223 -0.139 0.000 2.012 182 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 182 L C -1.180 175.542 176.870 -0.247 0.000 1.073 182 L CA 2.215 56.978 54.840 -0.128 0.000 0.748 182 L CB -1.148 40.895 42.059 -0.028 0.000 0.891 182 L HN 0.082 nan 8.230 nan 0.000 0.431 183 P HA -0.257 nan 4.420 nan 0.000 0.212 183 P C 1.446 178.254 177.300 -0.820 0.000 1.178 183 P CA 1.749 64.425 63.100 -0.708 0.000 0.915 183 P CB -0.133 30.911 31.700 -1.093 0.000 0.788 184 Q N 0.332 119.639 119.800 -0.822 0.000 2.112 184 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 184 Q C 1.953 177.810 176.000 -0.239 0.000 0.987 184 Q CA 2.551 58.104 55.803 -0.416 0.000 0.858 184 Q CB -1.492 27.143 28.738 -0.170 0.000 0.905 184 Q HN 0.141 nan 8.270 nan 0.000 0.420 185 A N -0.612 122.082 122.820 -0.210 0.000 2.015 185 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 185 A C 2.174 179.674 177.584 -0.141 0.000 1.163 185 A CA 1.473 53.429 52.037 -0.135 0.000 0.646 185 A CB -0.340 18.598 19.000 -0.103 0.000 0.806 185 A HN 0.288 nan 8.150 nan 0.000 0.448 186 V N -0.208 119.581 119.914 -0.207 0.000 2.599 186 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 186 V C 1.941 177.871 176.094 -0.274 0.000 1.046 186 V CA 1.682 63.854 62.300 -0.214 0.000 1.065 186 V CB -0.417 31.258 31.823 -0.248 0.000 0.703 186 V HN 0.782 nan 8.190 nan 0.000 0.464 187 M N -0.762 118.625 119.600 -0.354 0.000 2.685 187 M HA 0.542 5.022 4.480 -0.000 0.000 0.355 187 M C 1.183 177.424 176.300 -0.098 0.000 1.197 187 M CA 0.324 55.409 55.300 -0.358 0.000 0.947 187 M CB 0.119 32.239 32.600 -0.800 0.000 1.346 187 M HN 0.128 nan 8.290 nan 0.000 0.516 188 G N 2.735 111.494 108.800 -0.068 0.000 2.667 188 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.379 188 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.379 188 G C 1.089 175.993 174.900 0.006 0.000 1.236 188 G CA 2.364 47.459 45.100 -0.009 0.000 0.946 188 G HN 0.806 nan 8.290 nan 0.000 0.573 189 S N -0.999 114.735 115.700 0.056 0.000 2.469 189 S HA 0.031 4.500 4.470 -0.000 0.000 0.238 189 S C 2.273 176.821 174.600 -0.086 0.000 0.998 189 S CA 1.888 60.109 58.200 0.035 0.000 0.957 189 S CB -0.127 63.202 63.200 0.216 0.000 0.764 189 S HN 0.635 nan 8.310 nan 0.000 0.514 190 S N 0.242 115.977 115.700 0.058 0.000 2.453 190 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 190 S C 0.293 174.908 174.600 0.026 0.000 1.005 190 S CA 0.048 58.311 58.200 0.106 0.000 0.949 190 S CB -0.433 62.943 63.200 0.293 0.000 0.774 190 S HN 0.694 nan 8.310 nan 0.000 0.510 191 Y N 2.901 123.090 120.300 -0.185 0.000 2.637 191 Y HA 0.402 4.952 4.550 -0.000 0.000 0.350 191 Y C 1.227 176.892 175.900 -0.393 0.000 1.069 191 Y CA -1.390 56.569 58.100 -0.235 0.000 1.397 191 Y CB -0.008 38.320 38.460 -0.220 0.000 1.163 191 Y HN 0.051 nan 8.280 nan 0.000 0.527 192 G N 4.463 112.855 108.800 -0.680 0.000 2.744 192 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.211 192 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.211 192 G C 1.023 175.401 174.900 -0.870 0.000 1.143 192 G CA -0.001 44.688 45.100 -0.685 0.000 0.788 192 G HN 0.695 nan 8.290 nan 0.000 0.534 193 F N 0.763 120.037 119.950 -1.126 0.000 2.780 193 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 193 F C 2.736 178.379 175.800 -0.261 0.000 1.146 193 F CA 0.643 58.180 58.000 -0.772 0.000 1.428 193 F CB 0.316 38.755 39.000 -0.934 0.000 1.115 193 F HN 0.290 nan 8.300 nan 0.000 0.583 194 Q N -0.506 119.075 119.800 -0.365 0.000 2.403 194 Q HA 0.022 4.362 4.340 -0.000 0.000 0.203 194 Q C -0.715 175.189 176.000 -0.160 0.000 0.932 194 Q CA 0.438 56.118 55.803 -0.204 0.000 0.945 194 Q CB -0.287 28.238 28.738 -0.356 0.000 1.045 194 Q HN 0.413 nan 8.270 nan 0.000 0.511 195 Y N 1.137 121.476 120.300 0.065 0.000 2.429 195 Y HA 0.393 4.943 4.550 -0.000 0.000 0.342 195 Y C 0.409 176.199 175.900 -0.183 0.000 1.004 195 Y CA -1.334 56.740 58.100 -0.044 0.000 1.075 195 Y CB 1.666 40.047 38.460 -0.132 0.000 1.214 195 Y HN 0.063 nan 8.280 nan 0.000 0.455 196 S N 1.638 117.164 115.700 -0.290 0.000 2.669 196 S HA 0.331 4.801 4.470 -0.000 0.000 0.270 196 S C -2.173 172.064 174.600 -0.605 0.000 1.225 196 S CA -1.276 56.246 58.200 -1.129 0.000 0.991 196 S CB 1.617 64.280 63.200 -0.896 0.000 0.987 196 S HN 0.391 nan 8.310 nan 0.000 0.552 197 P HA -0.170 nan 4.420 nan 0.000 0.215 197 P C 1.386 178.572 177.300 -0.190 0.000 1.163 197 P CA 1.549 64.462 63.100 -0.311 0.000 0.894 197 P CB 0.005 31.533 31.700 -0.286 0.000 0.791 198 K N -0.527 119.739 120.400 -0.223 0.000 2.160 198 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 198 K C 2.123 178.660 176.600 -0.105 0.000 1.047 198 K CA 1.547 57.766 56.287 -0.113 0.000 0.930 198 K CB -0.168 32.261 32.500 -0.120 0.000 0.720 198 K HN 0.202 nan 8.250 nan 0.000 0.450 199 Q N -0.761 118.955 119.800 -0.139 0.000 2.163 199 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 199 Q C 2.111 177.940 176.000 -0.284 0.000 0.954 199 Q CA 0.718 56.432 55.803 -0.148 0.000 0.851 199 Q CB 0.035 28.752 28.738 -0.034 0.000 0.928 199 Q HN 0.216 nan 8.270 nan 0.000 0.459 200 R N 0.457 120.832 120.500 -0.209 0.000 2.066 200 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 200 R C 2.164 178.388 176.300 -0.127 0.000 1.131 200 R CA 1.128 57.108 56.100 -0.200 0.000 0.955 200 R CB -0.216 30.039 30.300 -0.075 0.000 0.851 200 R HN 0.091 nan 8.270 nan 0.000 0.432 201 V N 1.517 121.375 119.914 -0.094 0.000 2.255 201 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 201 V C 2.379 178.423 176.094 -0.083 0.000 1.051 201 V CA 2.359 64.614 62.300 -0.074 0.000 1.018 201 V CB -0.577 31.234 31.823 -0.020 0.000 0.641 201 V HN 0.523 nan 8.190 nan 0.000 0.445 202 E N -0.650 119.508 120.200 -0.070 0.000 2.118 202 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 202 E C 2.093 178.648 176.600 -0.076 0.000 0.992 202 E CA 1.855 58.221 56.400 -0.057 0.000 0.804 202 E CB -0.274 29.400 29.700 -0.043 0.000 0.741 202 E HN 0.630 nan 8.360 nan 0.000 0.458 203 F N 0.783 120.560 119.950 -0.289 0.000 2.206 203 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 203 F C 1.777 177.467 175.800 -0.185 0.000 1.090 203 F CA 0.924 58.745 58.000 -0.298 0.000 1.323 203 F CB 0.081 38.738 39.000 -0.572 0.000 1.028 203 F HN -0.006 nan 8.300 nan 0.000 0.492 204 L N -0.686 120.454 121.223 -0.137 0.000 1.973 204 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 204 L C 2.421 179.166 176.870 -0.208 0.000 1.073 204 L CA 1.166 55.896 54.840 -0.183 0.000 0.746 204 L CB -1.058 40.919 42.059 -0.136 0.000 0.891 204 L HN -0.057 nan 8.230 nan 0.000 0.433 205 V N 0.526 120.303 119.914 -0.228 0.000 2.231 205 V HA -0.384 3.736 4.120 -0.000 0.000 0.250 205 V C 2.123 178.140 176.094 -0.129 0.000 1.058 205 V CA 2.501 64.651 62.300 -0.250 0.000 1.022 205 V CB -0.962 30.660 31.823 -0.334 0.000 0.640 205 V HN 0.516 nan 8.190 nan 0.000 0.445 206 N N -0.440 118.175 118.700 -0.142 0.000 2.094 206 N HA -0.193 4.546 4.740 -0.000 0.000 0.191 206 N C 1.792 177.209 175.510 -0.156 0.000 1.023 206 N CA 1.824 54.801 53.050 -0.122 0.000 0.857 206 N CB -0.264 38.150 38.487 -0.122 0.000 1.013 206 N HN 0.494 nan 8.380 nan 0.000 0.426 207 T N 0.300 114.690 114.554 -0.274 0.000 2.821 207 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 207 T C 1.323 175.950 174.700 -0.123 0.000 1.046 207 T CA 0.615 62.543 62.100 -0.286 0.000 1.139 207 T CB -0.209 68.344 68.868 -0.527 0.000 0.871 207 T HN 0.445 nan 8.240 nan 0.000 0.454 208 W N 2.337 123.488 121.300 -0.247 0.000 2.379 208 W HA -0.041 4.618 4.660 -0.000 0.000 0.307 208 W C 1.680 178.114 176.519 -0.142 0.000 1.200 208 W CA 1.035 58.269 57.345 -0.186 0.000 1.297 208 W CB -0.194 29.145 29.460 -0.201 0.000 1.140 208 W HN 0.206 nan 8.180 nan 0.000 0.507 209 K N 0.192 120.643 120.400 0.086 0.000 2.362 209 K HA -0.054 4.265 4.320 -0.000 0.000 0.200 209 K C 1.872 178.433 176.600 -0.065 0.000 1.046 209 K CA 0.913 57.209 56.287 0.015 0.000 0.952 209 K CB -0.240 32.286 32.500 0.044 0.000 0.753 209 K HN 0.048 nan 8.250 nan 0.000 0.466 210 A N 1.036 123.799 122.820 -0.094 0.000 2.238 210 A HA 0.026 4.346 4.320 -0.000 0.000 0.208 210 A C 0.292 177.802 177.584 -0.123 0.000 1.177 210 A CA 0.463 52.442 52.037 -0.097 0.000 0.804 210 A CB 0.079 19.020 19.000 -0.097 0.000 0.823 210 A HN -0.031 nan 8.150 nan 0.000 0.482 211 K N 0.137 120.426 120.400 -0.186 0.000 2.123 211 K HA 0.441 4.761 4.320 -0.000 0.000 0.259 211 K C 0.769 177.258 176.600 -0.185 0.000 0.960 211 K CA -0.335 55.827 56.287 -0.209 0.000 0.872 211 K CB 1.253 33.558 32.500 -0.325 0.000 1.079 211 K HN 0.170 nan 8.250 nan 0.000 0.440 212 K N 0.235 120.552 120.400 -0.139 0.000 1.985 212 K HA -0.070 4.250 4.320 -0.000 0.000 0.210 212 K C 0.464 176.990 176.600 -0.123 0.000 1.047 212 K CA 1.111 57.334 56.287 -0.106 0.000 0.932 212 K CB -0.028 32.426 32.500 -0.077 0.000 0.716 212 K HN 0.410 nan 8.250 nan 0.000 0.439 213 C N 3.285 122.499 119.300 -0.144 0.000 3.002 213 C HA 0.356 4.816 4.460 -0.000 0.000 0.248 213 C C -2.643 172.213 174.990 -0.223 0.000 1.153 213 C CA -2.671 56.265 59.018 -0.136 0.000 1.502 213 C CB 0.043 27.742 27.740 -0.068 0.000 1.805 213 C HN 0.249 nan 8.230 nan 0.000 0.450 214 P HA 0.130 nan 4.420 nan 0.000 0.266 214 P C -0.669 176.228 177.300 -0.672 0.000 1.193 214 P CA 0.588 63.176 63.100 -0.853 0.000 0.770 214 P CB 0.717 31.269 31.700 -1.913 0.000 0.836 215 M N 2.299 121.561 119.600 -0.563 0.000 2.255 215 M HA 0.521 5.000 4.480 -0.000 0.000 0.275 215 M C -1.337 174.879 176.300 -0.139 0.000 1.050 215 M CA -0.138 54.949 55.300 -0.356 0.000 0.978 215 M CB 1.951 34.414 32.600 -0.228 0.000 1.761 215 M HN 0.591 nan 8.290 nan 0.000 0.479 216 G N 3.991 112.835 108.800 0.072 0.000 2.642 216 G HA2 0.884 4.844 3.960 -0.000 0.000 0.293 216 G HA3 0.884 4.844 3.960 -0.000 0.000 0.293 216 G C -1.837 173.202 174.900 0.231 0.000 1.341 216 G CA -0.581 44.635 45.100 0.194 0.000 0.916 216 G HN 0.777 nan 8.290 nan 0.000 0.474 217 F N -0.865 119.045 119.950 -0.067 0.000 2.686 217 F HA 0.835 5.361 4.527 -0.000 0.000 0.311 217 F C -0.337 175.442 175.800 -0.035 0.000 1.128 217 F CA -1.678 56.281 58.000 -0.069 0.000 0.946 217 F CB 1.435 40.374 39.000 -0.102 0.000 1.336 217 F HN 0.680 nan 8.300 nan 0.000 0.457 218 S N 0.573 116.299 115.700 0.043 0.000 2.501 218 S HA 0.663 5.133 4.470 -0.000 0.000 0.301 218 S C -1.787 172.926 174.600 0.188 0.000 1.096 218 S CA -0.546 57.651 58.200 -0.006 0.000 1.063 218 S CB 1.609 64.816 63.200 0.011 0.000 1.042 218 S HN 0.908 nan 8.310 nan 0.000 0.494 219 Y N 2.031 122.369 120.300 0.063 0.000 2.388 219 Y HA 0.428 4.978 4.550 -0.000 0.000 0.328 219 Y C -0.690 175.312 175.900 0.172 0.000 0.963 219 Y CA -0.916 57.312 58.100 0.214 0.000 1.240 219 Y CB 0.967 39.651 38.460 0.373 0.000 1.118 219 Y HN 0.888 nan 8.280 nan 0.000 0.484 220 D N 4.119 124.347 120.400 -0.286 0.000 2.316 220 D HA 0.203 4.843 4.640 -0.000 0.000 0.245 220 D C -0.712 175.379 176.300 -0.349 0.000 1.171 220 D CA 0.062 53.940 54.000 -0.204 0.000 0.856 220 D CB 0.935 41.663 40.800 -0.121 0.000 1.090 220 D HN 0.461 nan 8.370 nan 0.000 0.476 221 T N 4.131 118.644 114.554 -0.068 0.000 2.806 221 T HA 0.213 4.563 4.350 -0.000 0.000 0.290 221 T C 0.403 175.156 174.700 0.088 0.000 0.966 221 T CA -0.704 61.432 62.100 0.061 0.000 1.060 221 T CB 0.922 70.032 68.868 0.405 0.000 0.927 221 T HN 0.321 nan 8.240 nan 0.000 0.485 222 R N 2.119 122.641 120.500 0.035 0.000 2.421 222 R HA 0.109 4.448 4.340 -0.000 0.000 0.305 222 R C 0.220 176.614 176.300 0.157 0.000 1.039 222 R CA -0.201 55.929 56.100 0.049 0.000 1.003 222 R CB -0.495 29.782 30.300 -0.039 0.000 0.959 222 R HN 0.937 nan 8.270 nan 0.000 0.427 223 C N 6.889 126.312 119.300 0.205 0.000 2.977 223 C HA -0.198 4.262 4.460 -0.000 0.000 0.252 223 C C 1.390 176.576 174.990 0.326 0.000 1.310 223 C CA 0.210 59.398 59.018 0.284 0.000 2.393 223 C CB -2.380 25.575 27.740 0.357 0.000 1.512 223 C HN 1.058 nan 8.230 nan 0.000 0.453 224 F N 2.261 122.317 119.950 0.177 0.000 2.045 224 F HA -0.189 4.338 4.527 0.000 0.000 0.297 224 F C 1.875 177.773 175.800 0.164 0.000 1.114 224 F CA 2.659 60.762 58.000 0.172 0.000 1.207 224 F CB -0.178 38.911 39.000 0.148 0.000 0.964 224 F HN 0.597 nan 8.300 nan 0.000 0.486 225 D N -0.281 120.387 120.400 0.447 0.000 2.149 225 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 225 D C 2.413 178.775 176.300 0.104 0.000 1.001 225 D CA 1.870 56.046 54.000 0.292 0.000 0.849 225 D CB -0.747 40.211 40.800 0.264 0.000 0.939 225 D HN 0.287 nan 8.370 nan 0.000 0.449 226 S N -0.496 115.266 115.700 0.102 0.000 2.474 226 S HA -0.110 4.360 4.470 -0.000 0.000 0.235 226 S C 2.038 176.548 174.600 -0.150 0.000 0.997 226 S CA 1.427 59.566 58.200 -0.102 0.000 0.949 226 S CB -0.223 62.871 63.200 -0.177 0.000 0.766 226 S HN 0.558 nan 8.310 nan 0.000 0.517 227 T N -0.747 113.820 114.554 0.021 0.000 3.067 227 T HA 0.145 4.495 4.350 -0.000 0.000 0.257 227 T C 0.617 175.244 174.700 -0.121 0.000 1.105 227 T CA -0.046 62.072 62.100 0.030 0.000 1.104 227 T CB -0.396 68.467 68.868 -0.009 0.000 0.925 227 T HN 0.037 nan 8.240 nan 0.000 0.498 228 V N 4.437 124.243 119.914 -0.180 0.000 2.434 228 V HA 0.239 4.359 4.120 -0.000 0.000 0.281 228 V C 1.258 177.304 176.094 -0.081 0.000 1.005 228 V CA 0.044 62.268 62.300 -0.128 0.000 1.089 228 V CB -0.539 31.267 31.823 -0.028 0.000 0.978 228 V HN 0.740 nan 8.190 nan 0.000 0.474 229 T N 1.127 115.643 114.554 -0.064 0.000 2.847 229 T HA 0.304 4.654 4.350 -0.000 0.000 0.279 229 T C 0.990 175.670 174.700 -0.033 0.000 0.984 229 T CA -0.539 61.528 62.100 -0.055 0.000 0.988 229 T CB 1.237 70.076 68.868 -0.048 0.000 1.040 229 T HN 0.634 nan 8.240 nan 0.000 0.528 230 E N 0.191 120.373 120.200 -0.030 0.000 2.110 230 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 230 E C 2.136 178.736 176.600 0.001 0.000 0.988 230 E CA 0.858 57.253 56.400 -0.009 0.000 0.804 230 E CB -0.097 29.597 29.700 -0.010 0.000 0.745 230 E HN 0.675 nan 8.360 nan 0.000 0.458 231 N N 0.898 119.591 118.700 -0.011 0.000 2.244 231 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 231 N C 1.037 176.552 175.510 0.008 0.000 1.016 231 N CA 1.037 54.085 53.050 -0.004 0.000 0.866 231 N CB 0.099 38.574 38.487 -0.019 0.000 0.980 231 N HN 0.082 nan 8.380 nan 0.000 0.430 232 D N 0.918 121.320 120.400 0.003 0.000 2.117 232 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 232 D C 1.998 178.312 176.300 0.024 0.000 0.987 232 D CA 0.784 54.798 54.000 0.023 0.000 0.829 232 D CB -0.154 40.655 40.800 0.014 0.000 0.961 232 D HN 0.421 nan 8.370 nan 0.000 0.460 233 I N 0.411 120.998 120.570 0.028 0.000 2.439 233 I HA -0.124 4.045 4.170 -0.000 0.000 0.251 233 I C 2.341 178.482 176.117 0.040 0.000 1.139 233 I CA 0.611 61.938 61.300 0.046 0.000 1.438 233 I CB -0.060 37.991 38.000 0.084 0.000 1.085 233 I HN -0.112 nan 8.210 nan 0.000 0.427 234 R N 0.313 120.832 120.500 0.031 0.000 2.148 234 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 234 R C 2.265 178.555 176.300 -0.016 0.000 1.088 234 R CA 0.925 57.039 56.100 0.023 0.000 0.985 234 R CB -0.309 30.004 30.300 0.021 0.000 0.880 234 R HN 0.260 nan 8.270 nan 0.000 0.451 235 V N 1.369 121.269 119.914 -0.024 0.000 2.453 235 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 235 V C 1.989 177.993 176.094 -0.151 0.000 1.048 235 V CA 1.621 63.891 62.300 -0.049 0.000 1.049 235 V CB -0.346 31.483 31.823 0.011 0.000 0.672 235 V HN 0.325 nan 8.190 nan 0.000 0.457 236 E N -0.086 119.997 120.200 -0.194 0.000 2.031 236 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 236 E C 2.313 178.432 176.600 -0.803 0.000 0.994 236 E CA 1.367 57.487 56.400 -0.467 0.000 0.800 236 E CB -0.210 29.290 29.700 -0.333 0.000 0.752 236 E HN 0.582 nan 8.360 nan 0.000 0.447 237 E N 0.784 120.764 120.200 -0.367 0.000 2.070 237 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 237 E C 2.217 178.756 176.600 -0.102 0.000 1.004 237 E CA 1.804 58.148 56.400 -0.093 0.000 0.805 237 E CB -0.048 29.716 29.700 0.107 0.000 0.744 237 E HN 0.234 nan 8.360 nan 0.000 0.451 238 S N 0.218 115.853 115.700 -0.108 0.000 2.419 238 S HA -0.145 4.324 4.470 -0.000 0.000 0.235 238 S C 2.106 176.651 174.600 -0.091 0.000 1.019 238 S CA 1.086 59.246 58.200 -0.066 0.000 0.982 238 S CB -0.530 62.637 63.200 -0.055 0.000 0.789 238 S HN 0.291 nan 8.310 nan 0.000 0.490 239 I N 0.024 120.476 120.570 -0.198 0.000 2.193 239 I HA -0.107 4.063 4.170 -0.000 0.000 0.240 239 I C 2.394 178.471 176.117 -0.067 0.000 1.084 239 I CA 1.286 62.483 61.300 -0.173 0.000 1.365 239 I CB -0.637 37.209 38.000 -0.257 0.000 1.064 239 I HN 0.208 nan 8.210 nan 0.000 0.410 240 Y N 1.417 121.708 120.300 -0.014 0.000 2.053 240 Y HA -0.291 4.259 4.550 -0.000 0.000 0.277 240 Y C 2.716 178.616 175.900 0.001 0.000 1.159 240 Y CA 0.846 58.941 58.100 -0.008 0.000 1.125 240 Y CB -1.388 37.080 38.460 0.014 0.000 0.969 240 Y HN 0.209 nan 8.280 nan 0.000 0.492 241 Q N -0.799 119.106 119.800 0.174 0.000 2.389 241 Q HA -0.207 4.133 4.340 -0.000 0.000 0.213 241 Q C 2.354 178.388 176.000 0.057 0.000 0.989 241 Q CA 1.325 57.186 55.803 0.098 0.000 0.891 241 Q CB -1.083 27.695 28.738 0.066 0.000 0.923 241 Q HN 0.567 nan 8.270 nan 0.000 0.455 242 C N -0.264 119.061 119.300 0.043 0.000 2.446 242 C HA -0.033 4.426 4.460 -0.000 0.000 0.279 242 C C 1.697 176.703 174.990 0.026 0.000 1.366 242 C CA -0.746 58.284 59.018 0.020 0.000 1.763 242 C CB -0.604 27.135 27.740 -0.001 0.000 1.929 242 C HN 0.446 nan 8.230 nan 0.000 0.509 243 C N 1.407 120.733 119.300 0.043 0.000 2.801 243 C HA 0.074 4.534 4.460 -0.000 0.000 0.376 243 C C 0.567 175.576 174.990 0.033 0.000 1.323 243 C CA 0.060 59.100 59.018 0.035 0.000 2.170 243 C CB -0.431 27.337 27.740 0.047 0.000 2.650 243 C HN 0.513 nan 8.230 nan 0.000 0.736 244 D N 1.159 121.574 120.400 0.026 0.000 2.453 244 D HA 0.451 5.091 4.640 -0.000 0.000 0.223 244 D C -0.508 175.811 176.300 0.032 0.000 1.183 244 D CA 0.170 54.185 54.000 0.025 0.000 0.933 244 D CB -0.176 40.635 40.800 0.018 0.000 1.038 244 D HN 0.332 nan 8.370 nan 0.000 0.513 245 L N 1.839 123.085 121.223 0.039 0.000 2.334 245 L HA 0.682 5.022 4.340 -0.000 0.000 0.270 245 L C 0.592 177.491 176.870 0.048 0.000 1.018 245 L CA -1.539 53.330 54.840 0.048 0.000 0.811 245 L CB 1.602 43.697 42.059 0.059 0.000 1.271 245 L HN 0.274 nan 8.230 nan 0.000 0.443 246 A N 1.989 124.844 122.820 0.058 0.000 2.488 246 A HA 0.316 4.636 4.320 -0.000 0.000 0.249 246 A C -1.696 175.927 177.584 0.066 0.000 1.083 246 A CA -1.041 51.032 52.037 0.060 0.000 0.768 246 A CB -0.061 18.981 19.000 0.071 0.000 1.017 246 A HN 0.626 nan 8.150 nan 0.000 0.496 247 P HA -0.223 nan 4.420 nan 0.000 0.218 247 P C 1.186 178.520 177.300 0.057 0.000 1.147 247 P CA 1.855 64.982 63.100 0.045 0.000 0.827 247 P CB 0.336 32.057 31.700 0.036 0.000 0.778 248 E N -0.851 119.405 120.200 0.093 0.000 2.086 248 E HA -0.061 4.288 4.350 -0.000 0.000 0.190 248 E C 1.991 178.689 176.600 0.163 0.000 0.975 248 E CA 0.767 57.252 56.400 0.142 0.000 0.813 248 E CB -0.433 29.404 29.700 0.229 0.000 0.768 248 E HN 0.069 nan 8.360 nan 0.000 0.457 249 A N 1.088 124.019 122.820 0.185 0.000 2.015 249 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 249 A C 2.059 179.694 177.584 0.086 0.000 1.163 249 A CA 1.027 53.177 52.037 0.188 0.000 0.646 249 A CB -0.339 18.761 19.000 0.166 0.000 0.806 249 A HN 0.141 nan 8.150 nan 0.000 0.448 250 R N -1.172 119.365 120.500 0.061 0.000 2.075 250 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 250 R C 2.464 178.763 176.300 -0.000 0.000 1.126 250 R CA 1.575 57.698 56.100 0.038 0.000 0.963 250 R CB -0.265 30.057 30.300 0.036 0.000 0.858 250 R HN 0.612 nan 8.270 nan 0.000 0.435 251 Q N 0.800 120.583 119.800 -0.028 0.000 2.124 251 Q HA -0.091 4.248 4.340 -0.000 0.000 0.202 251 Q C 1.855 177.762 176.000 -0.155 0.000 0.977 251 Q CA 1.941 57.696 55.803 -0.080 0.000 0.850 251 Q CB -0.150 28.535 28.738 -0.088 0.000 0.901 251 Q HN 0.334 nan 8.270 nan 0.000 0.429 252 A N 0.234 122.921 122.820 -0.222 0.000 1.873 252 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 252 A C 2.127 179.602 177.584 -0.182 0.000 1.186 252 A CA 1.432 53.252 52.037 -0.363 0.000 0.616 252 A CB -0.734 17.906 19.000 -0.601 0.000 0.823 252 A HN 0.472 nan 8.150 nan 0.000 0.442 253 I N -0.876 119.656 120.570 -0.062 0.000 2.208 253 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 253 I C 2.710 178.847 176.117 0.034 0.000 1.097 253 I CA 1.738 63.053 61.300 0.025 0.000 1.363 253 I CB -0.299 37.749 38.000 0.079 0.000 1.051 253 I HN 0.287 nan 8.210 nan 0.000 0.413 254 R N 0.971 121.474 120.500 0.005 0.000 2.066 254 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 254 R C 2.401 178.676 176.300 -0.042 0.000 1.131 254 R CA 2.083 58.187 56.100 0.006 0.000 0.955 254 R CB -1.049 29.248 30.300 -0.006 0.000 0.851 254 R HN 0.173 nan 8.270 nan 0.000 0.432 255 S N -0.247 115.395 115.700 -0.097 0.000 2.368 255 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 255 S C 1.867 176.363 174.600 -0.173 0.000 1.030 255 S CA 1.242 59.362 58.200 -0.134 0.000 0.999 255 S CB -0.240 62.851 63.200 -0.182 0.000 0.844 255 S HN 0.400 nan 8.310 nan 0.000 0.459 256 L N 0.513 121.601 121.223 -0.225 0.000 2.201 256 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 256 L C 2.602 179.166 176.870 -0.510 0.000 1.105 256 L CA 1.159 55.759 54.840 -0.400 0.000 0.775 256 L CB -0.607 41.184 42.059 -0.448 0.000 0.913 256 L HN 0.342 nan 8.230 nan 0.000 0.440 257 T N -1.216 113.230 114.554 -0.179 0.000 2.732 257 T HA -0.120 4.230 4.350 -0.000 0.000 0.261 257 T C 1.794 176.496 174.700 0.002 0.000 1.040 257 T CA 0.894 63.020 62.100 0.044 0.000 1.145 257 T CB 0.016 68.996 68.868 0.187 0.000 0.866 257 T HN 0.192 nan 8.240 nan 0.000 0.427 258 E N 1.059 121.244 120.200 -0.025 0.000 2.150 258 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 258 E C 2.310 178.887 176.600 -0.039 0.000 0.985 258 E CA 0.958 57.347 56.400 -0.019 0.000 0.814 258 E CB -0.032 29.654 29.700 -0.024 0.000 0.752 258 E HN 0.430 nan 8.360 nan 0.000 0.466 259 R N -0.804 119.641 120.500 -0.091 0.000 2.206 259 R HA 0.101 4.441 4.340 -0.000 0.000 0.198 259 R C 1.876 178.103 176.300 -0.122 0.000 0.986 259 R CA 0.222 56.264 56.100 -0.096 0.000 1.029 259 R CB 0.251 30.484 30.300 -0.112 0.000 0.966 259 R HN 0.028 nan 8.270 nan 0.000 0.487 260 L N -1.644 119.456 121.223 -0.205 0.000 2.675 260 L HA 0.181 4.521 4.340 -0.000 0.000 0.178 260 L C 1.449 178.292 176.870 -0.045 0.000 1.135 260 L CA 0.927 55.646 54.840 -0.202 0.000 0.855 260 L CB -0.509 41.325 42.059 -0.375 0.000 1.235 260 L HN -0.117 nan 8.230 nan 0.000 0.499 261 Y N 0.817 121.130 120.300 0.021 0.000 2.128 261 Y HA -0.150 4.400 4.550 -0.000 0.000 0.284 261 Y C 2.603 178.515 175.900 0.020 0.000 1.154 261 Y CA 1.697 59.820 58.100 0.038 0.000 1.149 261 Y CB -1.690 36.814 38.460 0.074 0.000 0.976 261 Y HN 0.210 nan 8.280 nan 0.000 0.505 262 V N -1.690 118.324 119.914 0.167 0.000 3.383 262 V HA 0.416 4.535 4.120 -0.000 0.000 0.272 262 V C 0.892 177.013 176.094 0.045 0.000 1.181 262 V CA 0.577 62.931 62.300 0.090 0.000 1.171 262 V CB -1.190 30.673 31.823 0.066 0.000 0.800 262 V HN 0.575 nan 8.190 nan 0.000 0.515 263 G N -2.099 106.714 108.800 0.022 0.000 2.371 263 G HA2 0.522 4.482 3.960 -0.000 0.000 0.663 263 G HA3 0.522 4.482 3.960 -0.000 0.000 0.663 263 G C -0.306 174.504 174.900 -0.150 0.000 1.311 263 G CA -0.395 44.671 45.100 -0.056 0.000 0.985 263 G HN 1.969 nan 8.290 nan 0.000 0.566 264 G N -0.817 107.700 108.800 -0.471 0.000 2.313 264 G HA2 0.803 4.763 3.960 -0.000 0.000 0.296 264 G HA3 0.803 4.763 3.960 -0.000 0.000 0.296 264 G C -3.435 170.787 174.900 -1.130 0.000 1.356 264 G CA 0.370 45.053 45.100 -0.695 0.000 0.833 264 G HN 0.979 nan 8.290 nan 0.000 0.552 265 P HA 0.548 nan 4.420 nan 0.000 0.276 265 P C -0.674 176.461 177.300 -0.274 0.000 1.252 265 P CA -0.208 62.599 63.100 -0.488 0.000 0.802 265 P CB 1.181 32.797 31.700 -0.140 0.000 1.035 266 M N 0.533 120.027 119.600 -0.177 0.000 2.518 266 M HA 0.471 4.950 4.480 -0.000 0.000 0.300 266 M C -0.086 176.180 176.300 -0.057 0.000 1.175 266 M CA -0.394 54.833 55.300 -0.122 0.000 0.890 266 M CB 2.742 35.283 32.600 -0.099 0.000 1.710 266 M HN 0.338 nan 8.290 nan 0.000 0.453 267 T N -1.609 112.906 114.554 -0.065 0.000 2.906 267 T HA 0.632 4.982 4.350 -0.000 0.000 0.295 267 T C -0.608 174.074 174.700 -0.030 0.000 1.061 267 T CA -1.083 60.998 62.100 -0.031 0.000 1.000 267 T CB 1.256 70.099 68.868 -0.042 0.000 1.103 267 T HN 0.749 nan 8.240 nan 0.000 0.486 268 N N 0.522 119.223 118.700 0.002 0.000 2.374 268 N HA 0.235 4.974 4.740 -0.000 0.000 0.284 268 N C 1.531 177.041 175.510 -0.000 0.000 1.280 268 N CA -0.202 52.854 53.050 0.010 0.000 0.963 268 N CB -0.123 38.378 38.487 0.023 0.000 1.141 268 N HN 0.697 nan 8.380 nan 0.000 0.565 269 S N -1.230 114.481 115.700 0.018 0.000 2.419 269 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 269 S C 0.992 175.595 174.600 0.005 0.000 1.016 269 S CA 0.809 59.022 58.200 0.021 0.000 0.974 269 S CB -0.520 62.703 63.200 0.038 0.000 0.786 269 S HN 0.579 nan 8.310 nan 0.000 0.492 270 K N 1.176 121.579 120.400 0.005 0.000 2.546 270 K HA 0.242 4.561 4.320 -0.000 0.000 0.198 270 K C 1.152 177.748 176.600 -0.007 0.000 1.028 270 K CA 0.311 56.598 56.287 -0.000 0.000 1.150 270 K CB -0.494 32.009 32.500 0.005 0.000 0.876 270 K HN 0.553 nan 8.250 nan 0.000 0.508 271 G N 1.867 110.658 108.800 -0.015 0.000 2.168 271 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.257 271 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.257 271 G C -0.210 174.684 174.900 -0.009 0.000 0.997 271 G CA 0.240 45.327 45.100 -0.022 0.000 0.708 271 G HN 0.420 nan 8.290 nan 0.000 0.520 272 Q N -0.285 119.516 119.800 0.002 0.000 2.259 272 Q HA 0.287 4.627 4.340 -0.000 0.000 0.246 272 Q C 0.521 176.534 176.000 0.021 0.000 0.920 272 Q CA -0.538 55.274 55.803 0.014 0.000 0.895 272 Q CB 0.862 29.613 28.738 0.021 0.000 1.220 272 Q HN 0.425 nan 8.270 nan 0.000 0.439 273 N N 1.213 119.930 118.700 0.029 0.000 2.427 273 N HA -0.032 4.708 4.740 -0.000 0.000 0.269 273 N C 0.013 175.564 175.510 0.067 0.000 1.235 273 N CA -0.375 52.698 53.050 0.039 0.000 0.934 273 N CB 0.483 38.995 38.487 0.043 0.000 1.121 273 N HN 0.595 nan 8.380 nan 0.000 0.480 274 C N 2.967 122.313 119.300 0.078 0.000 2.520 274 C HA 0.509 4.969 4.460 -0.000 0.000 0.291 274 C C 1.060 176.179 174.990 0.215 0.000 1.364 274 C CA 0.878 59.993 59.018 0.160 0.000 1.781 274 C CB -0.749 27.095 27.740 0.174 0.000 2.171 274 C HN 0.887 nan 8.230 nan 0.000 0.516 275 G N -2.048 106.787 108.800 0.059 0.000 2.427 275 G HA2 0.422 4.382 3.960 -0.000 0.000 0.306 275 G HA3 0.422 4.382 3.960 -0.000 0.000 0.306 275 G C -2.327 172.503 174.900 -0.118 0.000 1.280 275 G CA -0.280 44.761 45.100 -0.098 0.000 0.837 275 G HN 0.187 nan 8.290 nan 0.000 0.482 276 Y N 0.583 120.704 120.300 -0.299 0.000 2.373 276 Y HA 0.705 5.255 4.550 0.000 0.000 0.336 276 Y C 0.246 176.026 175.900 -0.201 0.000 0.979 276 Y CA -0.883 57.101 58.100 -0.194 0.000 1.080 276 Y CB 1.860 40.228 38.460 -0.152 0.000 1.190 276 Y HN 0.652 nan 8.280 nan 0.000 0.446 277 R N 4.880 125.215 120.500 -0.276 0.000 2.428 277 R HA 0.537 4.877 4.340 -0.000 0.000 0.294 277 R C -0.451 175.746 176.300 -0.172 0.000 1.000 277 R CA -0.456 55.507 56.100 -0.229 0.000 0.960 277 R CB 0.847 31.074 30.300 -0.121 0.000 1.076 277 R HN 0.906 nan 8.270 nan 0.000 0.475 278 R N 2.856 123.192 120.500 -0.273 0.000 2.592 278 R HA 0.182 4.522 4.340 -0.000 0.000 0.439 278 R C -0.527 175.652 176.300 -0.202 0.000 0.995 278 R CA -0.223 55.791 56.100 -0.143 0.000 1.141 278 R CB 0.598 30.842 30.300 -0.094 0.000 1.495 278 R HN 0.791 nan 8.270 nan 0.000 0.579 279 C N -1.071 118.056 119.300 -0.289 0.000 3.235 279 C HA 0.664 5.124 4.460 -0.000 0.000 0.351 279 C C 0.057 174.987 174.990 -0.099 0.000 1.520 279 C CA -1.486 57.401 59.018 -0.218 0.000 1.474 279 C CB 1.403 28.938 27.740 -0.342 0.000 2.019 279 C HN 0.384 nan 8.230 nan 0.000 0.446 280 R N 1.293 121.783 120.500 -0.016 0.000 2.583 280 R HA 0.428 4.768 4.340 -0.000 0.000 0.274 280 R C -0.036 176.325 176.300 0.101 0.000 0.998 280 R CA 1.099 57.240 56.100 0.069 0.000 1.081 280 R CB -0.189 30.190 30.300 0.132 0.000 0.940 280 R HN 1.263 nan 8.270 nan 0.000 0.413 281 A N 3.708 126.601 122.820 0.122 0.000 2.320 281 A HA 0.276 4.596 4.320 -0.000 0.000 0.287 281 A C 0.942 178.621 177.584 0.158 0.000 1.181 281 A CA -0.085 52.042 52.037 0.150 0.000 0.831 281 A CB 0.612 19.708 19.000 0.161 0.000 1.102 281 A HN 1.014 nan 8.150 nan 0.000 0.513 282 S N 2.239 118.046 115.700 0.178 0.000 2.428 282 S HA 0.017 4.487 4.470 -0.000 0.000 0.230 282 S C 1.117 175.810 174.600 0.156 0.000 1.014 282 S CA 0.893 59.193 58.200 0.167 0.000 0.957 282 S CB 0.011 63.317 63.200 0.176 0.000 0.784 282 S HN 1.241 nan 8.310 nan 0.000 0.499 283 G N 2.077 110.993 108.800 0.193 0.000 4.804 283 G HA2 0.531 4.491 3.960 -0.000 0.000 0.310 283 G HA3 0.531 4.491 3.960 -0.000 0.000 0.310 283 G C -0.121 174.902 174.900 0.205 0.000 1.389 283 G CA -0.156 45.064 45.100 0.200 0.000 1.106 283 G HN 0.513 nan 8.290 nan 0.000 0.595 284 V N -2.036 117.979 119.914 0.168 0.000 3.181 284 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 284 V C 1.279 177.447 176.094 0.123 0.000 1.173 284 V CA -0.888 61.527 62.300 0.193 0.000 1.052 284 V CB 1.547 33.534 31.823 0.273 0.000 1.123 284 V HN 0.085 nan 8.190 nan 0.000 0.454 285 L N 1.456 122.760 121.223 0.135 0.000 2.109 285 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 285 L C 2.374 179.242 176.870 -0.005 0.000 1.086 285 L CA 2.949 57.844 54.840 0.091 0.000 0.760 285 L CB -0.775 41.365 42.059 0.134 0.000 0.910 285 L HN 1.076 nan 8.230 nan 0.000 0.437 286 T N -5.315 109.159 114.554 -0.132 0.000 3.160 286 T HA -0.050 4.300 4.350 -0.000 0.000 0.257 286 T C 1.651 176.274 174.700 -0.128 0.000 1.147 286 T CA 0.888 62.858 62.100 -0.217 0.000 1.064 286 T CB -0.841 67.735 68.868 -0.487 0.000 0.949 286 T HN 0.256 nan 8.240 nan 0.000 0.526 287 T N 2.067 116.579 114.554 -0.069 0.000 2.635 287 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 287 T C 2.211 176.905 174.700 -0.010 0.000 1.040 287 T CA 1.973 64.069 62.100 -0.007 0.000 1.156 287 T CB -0.718 68.173 68.868 0.039 0.000 0.863 287 T HN 0.583 nan 8.240 nan 0.000 0.430 288 S N -0.481 115.187 115.700 -0.053 0.000 2.368 288 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 288 S C 2.453 177.019 174.600 -0.056 0.000 1.029 288 S CA 1.439 59.584 58.200 -0.092 0.000 0.988 288 S CB -0.900 62.140 63.200 -0.267 0.000 0.838 288 S HN 0.688 nan 8.310 nan 0.000 0.462 289 C N 1.259 120.511 119.300 -0.081 0.000 2.446 289 C HA 0.139 4.599 4.460 -0.000 0.000 0.277 289 C C 2.798 177.815 174.990 0.045 0.000 1.275 289 C CA 1.053 60.052 59.018 -0.031 0.000 1.727 289 C CB -1.784 25.920 27.740 -0.061 0.000 2.010 289 C HN 0.698 nan 8.230 nan 0.000 0.486 290 G N 0.580 109.412 108.800 0.053 0.000 2.421 290 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 290 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 290 G C 1.521 176.492 174.900 0.117 0.000 1.171 290 G CA 1.041 46.194 45.100 0.088 0.000 0.775 290 G HN 0.577 nan 8.290 nan 0.000 0.543 291 N N 0.465 119.224 118.700 0.098 0.000 2.084 291 N HA -0.085 4.655 4.740 -0.000 0.000 0.190 291 N C 2.419 177.930 175.510 0.002 0.000 1.030 291 N CA 1.654 54.738 53.050 0.055 0.000 0.849 291 N CB -0.881 37.515 38.487 -0.152 0.000 1.012 291 N HN 0.231 nan 8.380 nan 0.000 0.423 292 T N 1.941 116.521 114.554 0.044 0.000 2.652 292 T HA -0.067 4.282 4.350 -0.000 0.000 0.267 292 T C 2.146 176.933 174.700 0.144 0.000 1.039 292 T CA 0.808 62.977 62.100 0.114 0.000 1.153 292 T CB -0.410 68.605 68.868 0.246 0.000 0.863 292 T HN 0.127 nan 8.240 nan 0.000 0.428 293 L N 0.422 121.703 121.223 0.096 0.000 2.012 293 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 293 L C 2.961 179.933 176.870 0.169 0.000 1.073 293 L CA 1.393 56.274 54.840 0.068 0.000 0.748 293 L CB -0.856 41.199 42.059 -0.007 0.000 0.891 293 L HN 0.287 nan 8.230 nan 0.000 0.431 294 T N -1.607 113.065 114.554 0.198 0.000 2.821 294 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 294 T C 1.950 176.876 174.700 0.376 0.000 1.046 294 T CA 1.365 63.627 62.100 0.270 0.000 1.139 294 T CB -0.344 68.701 68.868 0.295 0.000 0.871 294 T HN 0.508 nan 8.240 nan 0.000 0.454 295 C N 0.652 120.206 119.300 0.423 0.000 2.440 295 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 295 C C 2.372 177.549 174.990 0.310 0.000 1.295 295 C CA 0.370 59.641 59.018 0.421 0.000 1.738 295 C CB -1.396 26.439 27.740 0.158 0.000 1.987 295 C HN 0.686 nan 8.230 nan 0.000 0.492 296 Y N 0.913 121.299 120.300 0.143 0.000 2.200 296 Y HA -0.045 4.505 4.550 -0.000 0.000 0.290 296 Y C 2.142 178.101 175.900 0.098 0.000 1.137 296 Y CA 1.862 60.028 58.100 0.109 0.000 1.163 296 Y CB -0.504 38.002 38.460 0.078 0.000 0.988 296 Y HN 0.312 nan 8.280 nan 0.000 0.518 297 L N 1.359 122.767 121.223 0.308 0.000 1.955 297 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 297 L C 2.186 179.074 176.870 0.031 0.000 1.072 297 L CA 2.142 57.060 54.840 0.130 0.000 0.755 297 L CB -0.968 41.149 42.059 0.096 0.000 0.888 297 L HN 0.172 nan 8.230 nan 0.000 0.432 298 K N -0.439 120.038 120.400 0.129 0.000 2.009 298 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 298 K C 2.090 178.799 176.600 0.181 0.000 1.049 298 K CA 1.582 57.980 56.287 0.185 0.000 0.929 298 K CB -0.594 32.065 32.500 0.266 0.000 0.714 298 K HN 0.522 nan 8.250 nan 0.000 0.440 299 A N 1.693 124.566 122.820 0.088 0.000 1.865 299 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 299 A C 2.438 180.060 177.584 0.062 0.000 1.191 299 A CA 2.165 54.242 52.037 0.066 0.000 0.623 299 A CB -0.956 18.131 19.000 0.146 0.000 0.826 299 A HN 0.373 nan 8.150 nan 0.000 0.444 300 A N -0.487 122.261 122.820 -0.121 0.000 1.978 300 A HA 0.144 4.464 4.320 -0.000 0.000 0.220 300 A C 2.446 180.014 177.584 -0.026 0.000 1.170 300 A CA 2.169 54.106 52.037 -0.166 0.000 0.636 300 A CB -0.869 17.849 19.000 -0.471 0.000 0.810 300 A HN 1.104 nan 8.150 nan 0.000 0.448 301 A N -0.437 122.409 122.820 0.044 0.000 1.929 301 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 301 A C 2.432 180.089 177.584 0.122 0.000 1.176 301 A CA 1.609 53.737 52.037 0.152 0.000 0.628 301 A CB -0.800 18.363 19.000 0.272 0.000 0.816 301 A HN 0.973 nan 8.150 nan 0.000 0.444 302 A N -1.004 121.868 122.820 0.087 0.000 1.969 302 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 302 A C 2.204 179.794 177.584 0.009 0.000 1.169 302 A CA 1.514 53.449 52.037 -0.170 0.000 0.635 302 A CB -1.226 17.353 19.000 -0.702 0.000 0.810 302 A HN 0.564 nan 8.150 nan 0.000 0.445 303 C N -0.697 118.710 119.300 0.179 0.000 2.411 303 C HA -0.095 4.365 4.460 -0.000 0.000 0.279 303 C C 2.795 177.793 174.990 0.014 0.000 1.288 303 C CA 1.164 60.302 59.018 0.201 0.000 1.764 303 C CB -1.316 26.510 27.740 0.142 0.000 1.974 303 C HN 0.586 nan 8.230 nan 0.000 0.498 304 R N 0.489 120.918 120.500 -0.118 0.000 2.193 304 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 304 R C 2.171 178.151 176.300 -0.533 0.000 1.055 304 R CA 1.168 57.080 56.100 -0.314 0.000 0.995 304 R CB -0.226 29.837 30.300 -0.394 0.000 0.893 304 R HN 0.532 nan 8.270 nan 0.000 0.459 305 A N 0.785 123.350 122.820 -0.426 0.000 1.984 305 A HA 0.170 4.489 4.320 -0.000 0.000 0.214 305 A C 2.122 179.640 177.584 -0.110 0.000 1.173 305 A CA 0.939 52.812 52.037 -0.272 0.000 0.673 305 A CB -0.031 18.860 19.000 -0.181 0.000 0.830 305 A HN 0.292 nan 8.150 nan 0.000 0.453 306 A N -1.248 121.536 122.820 -0.059 0.000 2.123 306 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 306 A C 0.931 178.511 177.584 -0.008 0.000 1.152 306 A CA 0.911 52.948 52.037 -0.000 0.000 0.728 306 A CB -0.054 19.003 19.000 0.095 0.000 0.814 306 A HN 0.252 nan 8.150 nan 0.000 0.464 307 K N -1.089 119.299 120.400 -0.019 0.000 3.167 307 K HA -0.145 4.175 4.320 -0.000 0.000 0.272 307 K C -0.458 176.140 176.600 -0.003 0.000 1.137 307 K CA 0.469 56.748 56.287 -0.012 0.000 0.800 307 K CB -2.675 29.820 32.500 -0.008 0.000 1.253 307 K HN 0.553 nan 8.250 nan 0.000 0.497 308 L N 1.272 122.500 121.223 0.009 0.000 2.514 308 L HA -0.042 4.298 4.340 -0.000 0.000 0.280 308 L C 1.289 178.160 176.870 0.000 0.000 1.223 308 L CA 0.598 55.441 54.840 0.006 0.000 0.864 308 L CB 0.163 42.242 42.059 0.034 0.000 1.118 308 L HN 0.106 nan 8.230 nan 0.000 0.494 309 Q N 1.844 121.637 119.800 -0.010 0.000 2.274 309 Q HA 0.108 4.448 4.340 -0.000 0.000 0.256 309 Q C -0.321 175.666 176.000 -0.021 0.000 0.927 309 Q CA -0.594 55.200 55.803 -0.015 0.000 0.939 309 Q CB 0.988 29.713 28.738 -0.022 0.000 1.201 309 Q HN 0.532 nan 8.270 nan 0.000 0.426 310 D N 1.502 121.893 120.400 -0.015 0.000 3.060 310 D HA -0.204 4.436 4.640 -0.000 0.000 0.209 310 D C -0.974 175.310 176.300 -0.026 0.000 1.232 310 D CA 0.328 54.317 54.000 -0.018 0.000 0.841 310 D CB -0.628 40.154 40.800 -0.030 0.000 0.863 310 D HN 0.595 nan 8.370 nan 0.000 0.389 311 C N 0.963 120.256 119.300 -0.011 0.000 2.399 311 C HA 0.923 5.383 4.460 -0.000 0.000 0.348 311 C C 0.376 175.364 174.990 -0.003 0.000 1.183 311 C CA -0.622 58.387 59.018 -0.016 0.000 2.023 311 C CB 1.737 29.476 27.740 -0.002 0.000 2.361 311 C HN 0.523 nan 8.230 nan 0.000 0.521 312 T N 2.965 117.512 114.554 -0.012 0.000 2.876 312 T HA 0.628 4.978 4.350 -0.000 0.000 0.289 312 T C -0.467 174.258 174.700 0.042 0.000 1.014 312 T CA -0.266 61.856 62.100 0.038 0.000 0.986 312 T CB 1.322 70.191 68.868 0.001 0.000 1.021 312 T HN 0.761 nan 8.240 nan 0.000 0.458 313 M N 2.754 122.422 119.600 0.113 0.000 2.602 313 M HA 0.646 5.126 4.480 -0.000 0.000 0.312 313 M C -1.470 174.942 176.300 0.187 0.000 1.181 313 M CA -1.118 54.232 55.300 0.084 0.000 0.910 313 M CB 2.247 34.877 32.600 0.050 0.000 1.723 313 M HN 0.303 nan 8.290 nan 0.000 0.459 314 L N 2.859 124.157 121.223 0.124 0.000 2.406 314 L HA 0.644 4.984 4.340 -0.000 0.000 0.270 314 L C -1.417 175.458 176.870 0.009 0.000 0.982 314 L CA -0.450 54.454 54.840 0.107 0.000 0.843 314 L CB 1.681 43.833 42.059 0.156 0.000 1.225 314 L HN 0.511 nan 8.230 nan 0.000 0.412 315 V N 4.028 123.936 119.914 -0.009 0.000 2.581 315 V HA 0.598 4.718 4.120 -0.000 0.000 0.303 315 V C -0.491 175.458 176.094 -0.242 0.000 1.041 315 V CA -0.650 61.624 62.300 -0.043 0.000 0.907 315 V CB 1.971 33.861 31.823 0.111 0.000 0.994 315 V HN 0.779 nan 8.190 nan 0.000 0.442 316 N N 2.866 121.389 118.700 -0.296 0.000 2.675 316 N HA 0.571 5.311 4.740 -0.000 0.000 0.254 316 N C 0.435 175.842 175.510 -0.172 0.000 1.224 316 N CA 0.635 53.335 53.050 -0.582 0.000 0.777 316 N CB 1.587 39.571 38.487 -0.839 0.000 1.256 316 N HN 1.144 nan 8.380 nan 0.000 0.531 317 G N 1.998 110.827 108.800 0.049 0.000 2.559 317 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.282 317 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.282 317 G C 0.386 175.124 174.900 -0.270 0.000 1.177 317 G CA 0.594 45.679 45.100 -0.024 0.000 0.960 317 G HN 0.562 nan 8.290 nan 0.000 0.540 318 D N 1.417 121.595 120.400 -0.371 0.000 2.349 318 D HA 0.221 4.861 4.640 -0.000 0.000 0.214 318 D C 0.279 176.485 176.300 -0.157 0.000 1.063 318 D CA 0.596 54.250 54.000 -0.577 0.000 0.847 318 D CB 0.070 40.495 40.800 -0.625 0.000 0.933 318 D HN 0.352 nan 8.370 nan 0.000 0.513 319 D N 0.468 120.805 120.400 -0.106 0.000 2.295 319 D HA 0.365 5.005 4.640 -0.000 0.000 0.248 319 D C -1.119 175.163 176.300 -0.030 0.000 1.154 319 D CA -0.372 53.599 54.000 -0.048 0.000 0.857 319 D CB 0.860 41.613 40.800 -0.078 0.000 1.117 319 D HN 0.040 nan 8.370 nan 0.000 0.468 320 L N 4.731 125.974 121.223 0.034 0.000 2.409 320 L HA 0.642 4.982 4.340 -0.000 0.000 0.272 320 L C -1.785 175.068 176.870 -0.028 0.000 0.980 320 L CA -0.823 54.042 54.840 0.041 0.000 0.826 320 L CB 1.891 44.045 42.059 0.159 0.000 1.268 320 L HN 0.206 nan 8.230 nan 0.000 0.407 321 V N 6.026 125.884 119.914 -0.094 0.000 2.588 321 V HA 0.767 4.886 4.120 -0.000 0.000 0.304 321 V C -1.276 174.653 176.094 -0.275 0.000 1.042 321 V CA -0.369 61.819 62.300 -0.186 0.000 0.877 321 V CB 2.335 34.094 31.823 -0.107 0.000 0.996 321 V HN 0.571 nan 8.190 nan 0.000 0.425 322 V N 7.757 127.333 119.914 -0.562 0.000 2.540 322 V HA 0.586 4.706 4.120 -0.000 0.000 0.302 322 V C -0.375 175.515 176.094 -0.339 0.000 1.035 322 V CA -0.467 61.500 62.300 -0.556 0.000 0.873 322 V CB 1.812 33.017 31.823 -1.030 0.000 0.992 322 V HN 0.727 nan 8.190 nan 0.000 0.428 323 I N 4.984 125.472 120.570 -0.136 0.000 2.436 323 I HA 0.668 4.838 4.170 -0.000 0.000 0.289 323 I C -0.029 176.044 176.117 -0.073 0.000 1.010 323 I CA -0.305 60.967 61.300 -0.046 0.000 1.098 323 I CB 1.701 39.713 38.000 0.020 0.000 1.266 323 I HN 0.903 nan 8.210 nan 0.000 0.434 324 C N 2.366 121.618 119.300 -0.082 0.000 3.321 324 C HA 0.701 5.161 4.460 -0.000 0.000 0.363 324 C C -0.284 174.625 174.990 -0.136 0.000 1.705 324 C CA -0.855 58.113 59.018 -0.083 0.000 1.298 324 C CB 1.354 29.081 27.740 -0.021 0.000 2.086 324 C HN 0.710 nan 8.230 nan 0.000 0.438 325 E N 1.222 121.362 120.200 -0.100 0.000 2.259 325 E HA 0.491 4.841 4.350 -0.000 0.000 0.281 325 E C 0.057 176.616 176.600 -0.068 0.000 1.027 325 E CA 0.365 56.703 56.400 -0.103 0.000 0.838 325 E CB 1.261 30.916 29.700 -0.075 0.000 1.066 325 E HN 0.798 nan 8.360 nan 0.000 0.401 326 S N 2.654 118.321 115.700 -0.055 0.000 2.585 326 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 326 S C 0.172 174.774 174.600 0.002 0.000 1.339 326 S CA 0.222 58.430 58.200 0.014 0.000 1.028 326 S CB 0.735 63.999 63.200 0.106 0.000 0.906 326 S HN 0.600 nan 8.310 nan 0.000 0.528 327 A N 2.375 125.203 122.820 0.015 0.000 2.609 327 A HA 0.659 4.979 4.320 -0.000 0.000 0.286 327 A C 0.659 178.242 177.584 -0.001 0.000 1.138 327 A CA 0.229 52.265 52.037 -0.002 0.000 0.960 327 A CB -0.491 18.504 19.000 -0.008 0.000 1.208 327 A HN 1.846 nan 8.150 nan 0.000 0.541 328 G N -0.836 107.969 108.800 0.008 0.000 2.885 328 G HA2 0.156 4.116 3.960 -0.000 0.000 0.685 328 G HA3 0.156 4.116 3.960 -0.000 0.000 0.685 328 G C 0.540 175.446 174.900 0.011 0.000 1.216 328 G CA 0.169 45.262 45.100 -0.013 0.000 0.790 328 G HN 1.221 nan 8.290 nan 0.000 0.631 329 T N -1.179 113.361 114.554 -0.023 0.000 2.737 329 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 329 T C 1.975 176.698 174.700 0.039 0.000 1.040 329 T CA 2.465 64.581 62.100 0.027 0.000 1.142 329 T CB -0.269 68.563 68.868 -0.060 0.000 0.861 329 T HN 0.719 nan 8.240 nan 0.000 0.456 330 Q N 0.575 120.378 119.800 0.005 0.000 2.049 330 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 330 Q C 2.502 178.501 176.000 -0.002 0.000 0.971 330 Q CA 1.542 57.345 55.803 0.000 0.000 0.833 330 Q CB -0.182 28.551 28.738 -0.009 0.000 0.896 330 Q HN 0.581 nan 8.270 nan 0.000 0.434 331 E N 0.931 121.128 120.200 -0.003 0.000 2.153 331 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 331 E C 1.423 178.013 176.600 -0.017 0.000 0.988 331 E CA 1.115 57.508 56.400 -0.010 0.000 0.811 331 E CB 0.006 29.701 29.700 -0.009 0.000 0.746 331 E HN 0.271 nan 8.360 nan 0.000 0.466 332 D N -0.163 120.237 120.400 -0.000 0.000 2.097 332 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 332 D C 1.853 178.113 176.300 -0.067 0.000 0.984 332 D CA 1.432 55.420 54.000 -0.020 0.000 0.826 332 D CB -0.369 40.470 40.800 0.065 0.000 0.973 332 D HN 0.200 nan 8.370 nan 0.000 0.460 333 A N 0.902 123.705 122.820 -0.029 0.000 1.933 333 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 333 A C 2.265 179.813 177.584 -0.060 0.000 1.175 333 A CA 2.250 54.260 52.037 -0.045 0.000 0.628 333 A CB -0.664 18.330 19.000 -0.011 0.000 0.814 333 A HN 0.239 nan 8.150 nan 0.000 0.444 334 A N 0.186 122.980 122.820 -0.043 0.000 1.968 334 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 334 A C 2.432 179.987 177.584 -0.049 0.000 1.169 334 A CA 1.971 53.986 52.037 -0.038 0.000 0.638 334 A CB -0.833 18.152 19.000 -0.025 0.000 0.812 334 A HN 0.946 nan 8.150 nan 0.000 0.446 335 S N -0.708 114.952 115.700 -0.068 0.000 2.447 335 S HA -0.046 4.423 4.470 -0.000 0.000 0.233 335 S C 1.623 176.162 174.600 -0.102 0.000 1.006 335 S CA 1.276 59.434 58.200 -0.071 0.000 0.957 335 S CB -0.339 62.813 63.200 -0.079 0.000 0.773 335 S HN 0.229 nan 8.310 nan 0.000 0.507 336 L N 1.516 122.629 121.223 -0.183 0.000 2.131 336 L HA 0.268 4.608 4.340 -0.000 0.000 0.206 336 L C 2.724 179.571 176.870 -0.039 0.000 1.087 336 L CA 1.256 55.942 54.840 -0.256 0.000 0.767 336 L CB -0.552 41.275 42.059 -0.386 0.000 0.917 336 L HN 0.224 nan 8.230 nan 0.000 0.441 337 R N -1.580 118.900 120.500 -0.033 0.000 2.115 337 R HA -0.055 4.284 4.340 -0.000 0.000 0.230 337 R C 2.063 178.366 176.300 0.005 0.000 1.111 337 R CA 1.060 57.161 56.100 0.001 0.000 0.976 337 R CB -0.254 30.038 30.300 -0.013 0.000 0.870 337 R HN 0.201 nan 8.270 nan 0.000 0.445 338 V N 0.405 120.318 119.914 -0.002 0.000 2.488 338 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 338 V C 1.793 177.868 176.094 -0.031 0.000 1.046 338 V CA 1.274 63.560 62.300 -0.024 0.000 1.053 338 V CB -0.478 31.330 31.823 -0.025 0.000 0.679 338 V HN 0.194 nan 8.190 nan 0.000 0.458 339 F N 1.732 121.604 119.950 -0.131 0.000 2.095 339 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 339 F C 2.416 178.117 175.800 -0.165 0.000 1.104 339 F CA 2.364 60.275 58.000 -0.147 0.000 1.232 339 F CB -0.539 38.379 39.000 -0.137 0.000 0.987 339 F HN 0.115 nan 8.300 nan 0.000 0.475 340 T N -0.182 114.408 114.554 0.061 0.000 2.788 340 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 340 T C 1.733 176.377 174.700 -0.094 0.000 1.044 340 T CA 1.688 63.821 62.100 0.055 0.000 1.139 340 T CB -0.327 68.673 68.868 0.221 0.000 0.867 340 T HN 0.388 nan 8.240 nan 0.000 0.454 341 E N 0.721 120.854 120.200 -0.111 0.000 2.106 341 E HA -0.019 4.330 4.350 -0.000 0.000 0.192 341 E C 2.492 178.936 176.600 -0.261 0.000 0.984 341 E CA 0.884 57.200 56.400 -0.140 0.000 0.806 341 E CB -0.146 29.493 29.700 -0.102 0.000 0.750 341 E HN 0.482 nan 8.360 nan 0.000 0.458 342 A N 0.898 123.490 122.820 -0.380 0.000 1.872 342 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 342 A C 2.115 179.177 177.584 -0.869 0.000 1.187 342 A CA 1.047 52.708 52.037 -0.626 0.000 0.614 342 A CB -0.259 18.384 19.000 -0.595 0.000 0.826 342 A HN 0.113 nan 8.150 nan 0.000 0.442 343 M N -0.218 118.962 119.600 -0.700 0.000 2.065 343 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 343 M C 2.231 178.383 176.300 -0.247 0.000 1.069 343 M CA 2.195 57.196 55.300 -0.498 0.000 1.110 343 M CB -2.044 30.207 32.600 -0.581 0.000 1.328 343 M HN 0.437 nan 8.290 nan 0.000 0.405 344 T N 0.209 114.657 114.554 -0.176 0.000 2.737 344 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 344 T C 1.965 176.600 174.700 -0.108 0.000 1.040 344 T CA 1.264 63.312 62.100 -0.086 0.000 1.142 344 T CB -0.243 68.586 68.868 -0.065 0.000 0.861 344 T HN 0.364 nan 8.240 nan 0.000 0.456 345 R N -0.195 120.183 120.500 -0.204 0.000 2.115 345 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 345 R C 1.561 177.843 176.300 -0.030 0.000 1.100 345 R CA 0.937 56.943 56.100 -0.156 0.000 0.980 345 R CB -0.208 29.947 30.300 -0.241 0.000 0.875 345 R HN 0.567 nan 8.270 nan 0.000 0.445 346 Y N 0.394 120.617 120.300 -0.128 0.000 2.465 346 Y HA -0.011 4.539 4.550 -0.000 0.000 0.311 346 Y C 0.756 176.581 175.900 -0.125 0.000 1.204 346 Y CA -0.410 57.594 58.100 -0.159 0.000 1.272 346 Y CB 0.270 38.647 38.460 -0.138 0.000 1.083 346 Y HN 0.026 nan 8.280 nan 0.000 0.508 347 S N 0.943 116.668 115.700 0.042 0.000 3.791 347 S HA -0.183 4.287 4.470 -0.000 0.000 0.393 347 S C -0.154 174.447 174.600 0.001 0.000 0.936 347 S CA 0.382 58.590 58.200 0.014 0.000 1.234 347 S CB -1.283 61.915 63.200 -0.002 0.000 0.891 347 S HN 0.680 nan 8.310 nan 0.000 0.519 348 A N 1.810 124.643 122.820 0.021 0.000 3.367 348 A HA 0.524 4.844 4.320 -0.000 0.000 0.208 348 A C -2.106 175.564 177.584 0.144 0.000 1.043 348 A CA -0.262 51.807 52.037 0.052 0.000 1.079 348 A CB 0.754 19.804 19.000 0.083 0.000 1.314 348 A HN 0.511 nan 8.150 nan 0.000 0.668 349 P HA 0.336 nan 4.420 nan 0.000 0.271 349 P C -2.872 174.472 177.300 0.072 0.000 1.244 349 P CA -0.662 62.482 63.100 0.072 0.000 0.793 349 P CB 0.734 32.412 31.700 -0.037 0.000 0.984 350 P HA 0.225 nan 4.420 nan 0.000 0.286 350 P C 0.320 177.551 177.300 -0.116 0.000 1.292 350 P CA -0.249 62.745 63.100 -0.177 0.000 0.842 350 P CB 1.431 32.931 31.700 -0.333 0.000 1.207 351 G N -0.094 108.629 108.800 -0.129 0.000 2.682 351 G HA2 0.065 4.025 3.960 -0.000 0.000 0.221 351 G HA3 0.065 4.025 3.960 -0.000 0.000 0.221 351 G C -0.352 174.505 174.900 -0.072 0.000 1.386 351 G CA 0.145 45.200 45.100 -0.076 0.000 0.909 351 G HN 0.438 nan 8.290 nan 0.000 0.558 352 D N 2.289 122.645 120.400 -0.073 0.000 2.312 352 D HA 0.396 5.036 4.640 -0.000 0.000 0.252 352 D C -2.269 173.998 176.300 -0.055 0.000 1.150 352 D CA -1.157 52.813 54.000 -0.050 0.000 0.870 352 D CB 1.305 42.082 40.800 -0.037 0.000 1.153 352 D HN 0.005 nan 8.370 nan 0.000 0.457 353 P HA 0.116 nan 4.420 nan 0.000 0.268 353 P C -2.305 175.021 177.300 0.044 0.000 1.204 353 P CA -0.914 62.196 63.100 0.016 0.000 0.768 353 P CB -0.163 31.550 31.700 0.022 0.000 0.842 354 P HA 0.022 nan 4.420 nan 0.000 0.267 354 P C -0.835 176.495 177.300 0.050 0.000 1.200 354 P CA 0.302 63.498 63.100 0.161 0.000 0.772 354 P CB 0.667 32.575 31.700 0.346 0.000 0.855 355 Q N 2.164 121.995 119.800 0.051 0.000 2.285 355 Q HA 0.360 4.700 4.340 -0.000 0.000 0.269 355 Q C -2.350 173.647 176.000 -0.005 0.000 1.030 355 Q CA -1.896 53.911 55.803 0.006 0.000 0.788 355 Q CB 2.402 31.155 28.738 0.024 0.000 1.266 355 Q HN 0.423 nan 8.270 nan 0.000 0.438 356 P HA 0.140 nan 4.420 nan 0.000 0.268 356 P C -0.475 176.721 177.300 -0.172 0.000 1.205 356 P CA -0.000 63.009 63.100 -0.151 0.000 0.771 356 P CB 1.098 32.703 31.700 -0.159 0.000 0.858 357 E N 1.387 121.415 120.200 -0.288 0.000 2.288 357 E HA 0.384 4.734 4.350 -0.000 0.000 0.268 357 E C -1.005 175.372 176.600 -0.371 0.000 0.885 357 E CA -0.601 55.693 56.400 -0.177 0.000 0.767 357 E CB 1.088 30.778 29.700 -0.016 0.000 1.220 357 E HN 0.345 nan 8.360 nan 0.000 0.427 358 Y N 0.089 120.527 120.300 0.231 0.000 2.527 358 Y HA 0.371 4.920 4.550 -0.000 0.000 0.247 358 Y C -0.214 175.960 175.900 0.456 0.000 1.138 358 Y CA -0.442 57.849 58.100 0.318 0.000 1.228 358 Y CB 1.210 39.756 38.460 0.144 0.000 1.252 358 Y HN 0.309 nan 8.280 nan 0.000 0.531 359 D N 0.892 121.475 120.400 0.306 0.000 2.425 359 D HA 0.131 4.771 4.640 -0.000 0.000 0.240 359 D C 0.689 176.770 176.300 -0.363 0.000 1.080 359 D CA -0.126 53.911 54.000 0.061 0.000 0.836 359 D CB 2.572 43.389 40.800 0.030 0.000 1.125 359 D HN 0.102 nan 8.370 nan 0.000 0.525 360 L N 3.880 124.527 121.223 -0.959 0.000 2.013 360 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 360 L C 1.707 178.192 176.870 -0.642 0.000 1.073 360 L CA 1.969 56.015 54.840 -1.324 0.000 0.753 360 L CB -0.330 40.736 42.059 -1.655 0.000 0.890 360 L HN 0.421 nan 8.230 nan 0.000 0.432 361 E N -0.649 119.280 120.200 -0.452 0.000 2.510 361 E HA -0.155 4.195 4.350 -0.000 0.000 0.202 361 E C 1.582 178.058 176.600 -0.207 0.000 1.072 361 E CA 0.488 56.713 56.400 -0.292 0.000 0.883 361 E CB -0.226 29.346 29.700 -0.213 0.000 0.818 361 E HN 0.550 nan 8.360 nan 0.000 0.548 362 L N 0.748 121.849 121.223 -0.203 0.000 2.728 362 L HA 0.281 4.620 4.340 -0.000 0.000 0.238 362 L C 0.441 177.241 176.870 -0.117 0.000 1.143 362 L CA -0.206 54.561 54.840 -0.122 0.000 0.937 362 L CB 0.455 42.473 42.059 -0.069 0.000 1.225 362 L HN 0.033 nan 8.230 nan 0.000 0.507 363 I N -0.242 120.226 120.570 -0.172 0.000 2.385 363 I HA 0.214 4.384 4.170 -0.000 0.000 0.294 363 I C -0.112 175.939 176.117 -0.111 0.000 0.988 363 I CA 0.005 61.224 61.300 -0.134 0.000 1.265 363 I CB 1.835 39.728 38.000 -0.179 0.000 1.388 363 I HN -0.107 nan 8.210 nan 0.000 0.480 364 T N 4.278 118.791 114.554 -0.069 0.000 2.833 364 T HA 0.422 4.772 4.350 -0.000 0.000 0.297 364 T C -0.456 174.222 174.700 -0.038 0.000 1.015 364 T CA -0.652 61.418 62.100 -0.050 0.000 0.963 364 T CB 0.980 69.827 68.868 -0.035 0.000 0.955 364 T HN 0.709 nan 8.240 nan 0.000 0.449 365 S N 0.916 116.593 115.700 -0.038 0.000 2.547 365 S HA 0.469 4.939 4.470 -0.000 0.000 0.281 365 S C 0.235 174.822 174.600 -0.020 0.000 1.118 365 S CA -0.706 57.472 58.200 -0.036 0.000 0.947 365 S CB 0.747 63.914 63.200 -0.056 0.000 1.053 365 S HN 0.904 nan 8.310 nan 0.000 0.482 366 C N 2.203 121.492 119.300 -0.019 0.000 4.350 366 C HA -0.161 4.298 4.460 -0.000 0.000 0.302 366 C C 1.337 176.364 174.990 0.062 0.000 1.390 366 C CA 0.655 59.672 59.018 -0.002 0.000 2.016 366 C CB -3.296 24.418 27.740 -0.042 0.000 1.271 366 C HN 1.665 nan 8.230 nan 0.000 0.760 367 S N -1.590 114.142 115.700 0.053 0.000 3.358 367 S HA -0.198 4.272 4.470 -0.000 0.000 0.309 367 S C 0.308 174.964 174.600 0.094 0.000 1.247 367 S CA 1.312 59.555 58.200 0.071 0.000 0.961 367 S CB -0.869 62.394 63.200 0.104 0.000 1.074 367 S HN 1.092 nan 8.310 nan 0.000 0.625 368 S N 1.364 117.116 115.700 0.086 0.000 2.661 368 S HA 0.770 5.240 4.470 -0.000 0.000 0.285 368 S C -0.528 174.079 174.600 0.012 0.000 1.138 368 S CA -0.959 57.306 58.200 0.108 0.000 0.855 368 S CB 1.850 65.185 63.200 0.225 0.000 1.136 368 S HN 0.581 nan 8.310 nan 0.000 0.484 369 N N -0.834 117.856 118.700 -0.017 0.000 2.416 369 N HA 0.464 5.204 4.740 -0.000 0.000 0.276 369 N C -1.529 173.881 175.510 -0.167 0.000 1.261 369 N CA -0.613 52.375 53.050 -0.105 0.000 0.790 369 N CB 1.256 39.673 38.487 -0.116 0.000 1.554 369 N HN 0.343 nan 8.380 nan 0.000 0.481 370 V N 0.577 120.348 119.914 -0.238 0.000 2.686 370 V HA 0.378 4.498 4.120 -0.000 0.000 0.295 370 V C 0.553 176.438 176.094 -0.349 0.000 1.055 370 V CA 0.035 62.152 62.300 -0.305 0.000 1.050 370 V CB 0.936 32.549 31.823 -0.350 0.000 0.984 370 V HN 0.851 nan 8.190 nan 0.000 0.482 371 S N 2.926 118.324 115.700 -0.505 0.000 2.732 371 S HA 0.874 5.344 4.470 -0.000 0.000 0.293 371 S C -1.083 173.292 174.600 -0.375 0.000 1.159 371 S CA -0.501 57.406 58.200 -0.488 0.000 0.847 371 S CB 2.081 64.882 63.200 -0.664 0.000 1.169 371 S HN 0.454 nan 8.310 nan 0.000 0.501 372 V N 0.614 120.430 119.914 -0.162 0.000 3.040 372 V HA 1.040 5.160 4.120 -0.000 0.000 0.312 372 V C 0.091 176.090 176.094 -0.159 0.000 1.115 372 V CA -0.225 62.016 62.300 -0.098 0.000 0.998 372 V CB 1.262 33.015 31.823 -0.117 0.000 1.042 372 V HN 1.257 nan 8.190 nan 0.000 0.433 373 A N 1.056 123.605 122.820 -0.450 0.000 2.493 373 A HA 0.904 5.224 4.320 -0.000 0.000 0.300 373 A C -1.811 175.174 177.584 -0.998 0.000 1.152 373 A CA -0.573 51.060 52.037 -0.673 0.000 0.643 373 A CB 1.621 20.100 19.000 -0.868 0.000 1.316 373 A HN 1.008 nan 8.150 nan 0.000 0.469 374 H N 0.217 119.047 119.070 -0.399 0.000 2.637 374 H HA 0.529 5.085 4.556 -0.000 0.000 0.363 374 H C -0.784 174.342 175.328 -0.337 0.000 1.131 374 H CA -0.261 55.535 56.048 -0.420 0.000 1.183 374 H CB 1.335 30.779 29.762 -0.530 0.000 1.637 374 H HN 0.832 nan 8.280 nan 0.000 0.531 375 D N 0.913 121.300 120.400 -0.023 0.000 2.447 375 D HA 0.297 4.937 4.640 -0.000 0.000 0.265 375 D C 1.414 177.878 176.300 0.273 0.000 1.250 375 D CA -0.239 53.819 54.000 0.097 0.000 1.046 375 D CB 0.404 41.228 40.800 0.039 0.000 1.095 375 D HN 0.522 nan 8.370 nan 0.000 0.555 376 A N 0.208 123.147 122.820 0.198 0.000 1.869 376 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 376 A C 1.877 179.543 177.584 0.136 0.000 1.203 376 A CA 2.787 54.913 52.037 0.148 0.000 0.638 376 A CB -1.521 17.532 19.000 0.089 0.000 0.831 376 A HN 0.766 nan 8.150 nan 0.000 0.450 377 S N -0.882 114.884 115.700 0.109 0.000 2.942 377 S HA 0.392 4.862 4.470 -0.000 0.000 0.244 377 S C 1.207 175.873 174.600 0.110 0.000 1.011 377 S CA 0.793 59.044 58.200 0.085 0.000 1.102 377 S CB -0.966 62.267 63.200 0.056 0.000 0.812 377 S HN 1.983 nan 8.310 nan 0.000 0.486 378 G N 1.166 110.087 108.800 0.202 0.000 2.212 378 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.267 378 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.267 378 G C 0.020 174.999 174.900 0.131 0.000 1.002 378 G CA 0.785 46.008 45.100 0.205 0.000 0.729 378 G HN 0.745 nan 8.290 nan 0.000 0.517 379 K N -0.059 120.397 120.400 0.093 0.000 2.202 379 K HA 0.381 4.701 4.320 -0.000 0.000 0.264 379 K C 0.871 177.463 176.600 -0.013 0.000 1.010 379 K CA -0.860 55.451 56.287 0.040 0.000 0.940 379 K CB 0.360 32.863 32.500 0.005 0.000 0.983 379 K HN 0.203 nan 8.250 nan 0.000 0.475 380 R N 2.826 123.280 120.500 -0.077 0.000 2.351 380 R HA 0.135 4.475 4.340 -0.000 0.000 0.318 380 R C -1.231 174.786 176.300 -0.472 0.000 1.055 380 R CA -0.265 55.649 56.100 -0.310 0.000 0.968 380 R CB 0.349 30.487 30.300 -0.270 0.000 0.974 380 R HN 0.291 nan 8.270 nan 0.000 0.439 381 V N 6.392 125.982 119.914 -0.540 0.000 2.487 381 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 381 V C -0.754 175.102 176.094 -0.397 0.000 1.028 381 V CA -0.779 61.268 62.300 -0.421 0.000 0.860 381 V CB 1.474 33.145 31.823 -0.254 0.000 0.991 381 V HN 0.644 nan 8.190 nan 0.000 0.427 382 Y N 4.856 125.114 120.300 -0.071 0.000 2.320 382 Y HA 0.686 5.236 4.550 -0.000 0.000 0.324 382 Y C -0.050 175.873 175.900 0.039 0.000 1.190 382 Y CA -0.411 57.650 58.100 -0.065 0.000 1.215 382 Y CB 1.492 39.884 38.460 -0.113 0.000 1.221 382 Y HN 0.747 nan 8.280 nan 0.000 0.486 383 Y N -0.844 119.459 120.300 0.005 0.000 2.624 383 Y HA 0.659 5.209 4.550 -0.000 0.000 0.334 383 Y C -2.227 173.665 175.900 -0.013 0.000 1.155 383 Y CA -1.988 56.087 58.100 -0.042 0.000 1.046 383 Y CB 0.620 39.001 38.460 -0.131 0.000 1.316 383 Y HN 0.427 nan 8.280 nan 0.000 0.457 384 L N 2.536 123.789 121.223 0.049 0.000 2.357 384 L HA 0.803 5.143 4.340 -0.000 0.000 0.273 384 L C 0.265 177.299 176.870 0.273 0.000 1.080 384 L CA -0.390 54.473 54.840 0.038 0.000 0.803 384 L CB 1.792 43.898 42.059 0.078 0.000 1.174 384 L HN 1.007 nan 8.230 nan 0.000 0.443 385 T N 1.783 116.483 114.554 0.243 0.000 2.665 385 T HA 0.732 5.082 4.350 -0.000 0.000 0.303 385 T C -1.549 173.269 174.700 0.197 0.000 1.334 385 T CA -0.671 61.671 62.100 0.404 0.000 1.011 385 T CB 1.699 70.808 68.868 0.402 0.000 1.573 385 T HN 0.845 nan 8.240 nan 0.000 0.492 386 R N 0.435 120.952 120.500 0.029 0.000 2.756 386 R HA 0.550 4.890 4.340 -0.000 0.000 0.273 386 R C -1.793 174.294 176.300 -0.355 0.000 1.030 386 R CA -0.949 55.060 56.100 -0.151 0.000 0.887 386 R CB 0.064 30.256 30.300 -0.179 0.000 1.274 386 R HN 0.522 nan 8.270 nan 0.000 0.461 387 D N 1.865 122.081 120.400 -0.308 0.000 2.450 387 D HA 0.094 4.734 4.640 -0.000 0.000 0.247 387 D C -1.468 174.476 176.300 -0.594 0.000 1.162 387 D CA -1.893 51.894 54.000 -0.355 0.000 0.879 387 D CB 1.166 41.839 40.800 -0.212 0.000 1.163 387 D HN 0.360 nan 8.370 nan 0.000 0.472 388 P HA 0.016 nan 4.420 nan 0.000 0.255 388 P C 0.889 177.896 177.300 -0.487 0.000 1.301 388 P CA 0.013 62.492 63.100 -1.036 0.000 0.817 388 P CB 0.314 31.218 31.700 -1.327 0.000 1.259 389 T N 0.568 114.933 114.554 -0.314 0.000 2.555 389 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 389 T C 1.938 176.574 174.700 -0.105 0.000 1.083 389 T CA 1.909 63.915 62.100 -0.158 0.000 1.179 389 T CB -0.916 67.894 68.868 -0.096 0.000 0.863 389 T HN -0.100 nan 8.240 nan 0.000 0.412 390 V N 2.559 122.420 119.914 -0.089 0.000 2.255 390 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 390 V C -0.383 175.677 176.094 -0.055 0.000 1.051 390 V CA 1.987 64.262 62.300 -0.041 0.000 1.018 390 V CB -1.780 30.044 31.823 0.002 0.000 0.641 390 V HN 0.370 nan 8.190 nan 0.000 0.445 391 P HA -0.201 nan 4.420 nan 0.000 0.217 391 P C 1.930 179.277 177.300 0.079 0.000 1.158 391 P CA 1.726 64.828 63.100 0.004 0.000 0.887 391 P CB -0.081 31.548 31.700 -0.119 0.000 0.792 392 L N -1.421 119.804 121.223 0.002 0.000 2.005 392 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 392 L C 2.497 179.410 176.870 0.071 0.000 1.072 392 L CA 1.569 56.432 54.840 0.039 0.000 0.744 392 L CB -1.321 40.719 42.059 -0.031 0.000 0.895 392 L HN -0.065 nan 8.230 nan 0.000 0.433 393 A N -0.026 122.824 122.820 0.051 0.000 2.032 393 A HA -0.223 4.096 4.320 -0.000 0.000 0.221 393 A C 2.360 180.017 177.584 0.121 0.000 1.165 393 A CA 1.665 53.757 52.037 0.092 0.000 0.645 393 A CB -0.461 18.580 19.000 0.069 0.000 0.807 393 A HN 0.369 nan 8.150 nan 0.000 0.453 394 R N -1.176 119.375 120.500 0.085 0.000 2.090 394 R HA 0.154 4.494 4.340 -0.000 0.000 0.219 394 R C 2.444 178.897 176.300 0.255 0.000 1.100 394 R CA 0.857 57.017 56.100 0.100 0.000 0.991 394 R CB -0.354 29.948 30.300 0.005 0.000 0.893 394 R HN 0.440 nan 8.270 nan 0.000 0.443 395 A N 1.057 124.054 122.820 0.294 0.000 2.131 395 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 395 A C 2.138 179.964 177.584 0.403 0.000 1.158 395 A CA 1.757 54.074 52.037 0.466 0.000 0.665 395 A CB -0.397 18.889 19.000 0.476 0.000 0.795 395 A HN 0.410 nan 8.150 nan 0.000 0.460 396 A N -1.595 121.387 122.820 0.269 0.000 1.887 396 A HA -0.007 4.313 4.320 -0.000 0.000 0.212 396 A C 2.021 179.784 177.584 0.298 0.000 1.198 396 A CA 0.964 53.134 52.037 0.221 0.000 0.628 396 A CB -0.740 18.363 19.000 0.171 0.000 0.847 396 A HN 0.805 nan 8.150 nan 0.000 0.449 397 W N 1.523 122.894 121.300 0.119 0.000 2.402 397 W HA -0.082 4.578 4.660 -0.000 0.000 0.286 397 W C 0.977 177.566 176.519 0.118 0.000 1.221 397 W CA 1.686 59.088 57.345 0.095 0.000 1.257 397 W CB -0.132 29.356 29.460 0.047 0.000 1.120 397 W HN 0.513 nan 8.180 nan 0.000 0.551 398 E N -0.709 119.778 120.200 0.478 0.000 2.511 398 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 398 E C 1.601 178.398 176.600 0.328 0.000 1.066 398 E CA 0.802 57.438 56.400 0.393 0.000 0.871 398 E CB 0.177 30.124 29.700 0.411 0.000 0.863 398 E HN 0.051 nan 8.360 nan 0.000 0.520 399 T N -0.381 114.357 114.554 0.308 0.000 3.023 399 T HA 0.132 4.482 4.350 -0.000 0.000 0.249 399 T C 1.603 176.395 174.700 0.153 0.000 1.050 399 T CA 0.560 62.829 62.100 0.281 0.000 1.088 399 T CB 0.429 69.511 68.868 0.357 0.000 0.946 399 T HN 0.149 nan 8.240 nan 0.000 0.480 400 A N 1.092 123.958 122.820 0.076 0.000 2.308 400 A HA 0.434 4.754 4.320 -0.000 0.000 0.217 400 A C 0.726 178.243 177.584 -0.111 0.000 1.216 400 A CA -0.023 51.990 52.037 -0.041 0.000 0.864 400 A CB 0.209 19.137 19.000 -0.120 0.000 0.902 400 A HN 0.273 nan 8.150 nan 0.000 0.499 401 R N -0.244 120.226 120.500 -0.050 0.000 2.536 401 R HA 0.191 4.531 4.340 -0.000 0.000 0.269 401 R C -1.141 175.233 176.300 0.124 0.000 1.113 401 R CA -0.659 55.429 56.100 -0.020 0.000 0.948 401 R CB 1.002 31.204 30.300 -0.163 0.000 1.237 401 R HN 0.547 nan 8.270 nan 0.000 0.441 402 H N 2.654 121.760 119.070 0.059 0.000 2.886 402 H HA 0.097 4.653 4.556 -0.000 0.000 0.329 402 H C -0.870 174.519 175.328 0.102 0.000 1.044 402 H CA 0.797 56.893 56.048 0.080 0.000 1.456 402 H CB 0.883 30.675 29.762 0.050 0.000 1.464 402 H HN 0.660 nan 8.280 nan 0.000 0.573 403 T N 2.972 117.245 114.554 -0.467 0.000 2.848 403 T HA 0.234 4.584 4.350 -0.000 0.000 0.285 403 T C -2.017 172.387 174.700 -0.494 0.000 0.995 403 T CA -1.854 60.034 62.100 -0.353 0.000 0.970 403 T CB 1.993 70.827 68.868 -0.057 0.000 0.976 403 T HN 0.355 nan 8.240 nan 0.000 0.441 404 P HA -0.049 nan 4.420 nan 0.000 0.215 404 P C -0.013 177.125 177.300 -0.269 0.000 1.163 404 P CA 0.694 63.617 63.100 -0.295 0.000 0.894 404 P CB 0.125 31.697 31.700 -0.212 0.000 0.791 405 V N -0.055 119.739 119.914 -0.199 0.000 2.495 405 V HA 0.300 4.420 4.120 -0.000 0.000 0.298 405 V C -0.383 175.625 176.094 -0.144 0.000 1.031 405 V CA -0.842 61.360 62.300 -0.162 0.000 0.871 405 V CB 1.474 33.241 31.823 -0.094 0.000 0.988 405 V HN 0.118 nan 8.190 nan 0.000 0.432 406 N N 1.895 120.473 118.700 -0.202 0.000 2.392 406 N HA 0.324 5.064 4.740 -0.000 0.000 0.283 406 N C 0.702 176.026 175.510 -0.310 0.000 1.003 406 N CA -0.252 52.667 53.050 -0.217 0.000 0.892 406 N CB 1.811 40.129 38.487 -0.282 0.000 1.193 406 N HN 0.496 nan 8.380 nan 0.000 0.487 407 S N 1.716 117.347 115.700 -0.116 0.000 2.406 407 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 407 S C 1.472 176.071 174.600 -0.001 0.000 1.020 407 S CA 0.145 58.317 58.200 -0.046 0.000 0.965 407 S CB -0.838 62.389 63.200 0.044 0.000 0.798 407 S HN 0.834 nan 8.310 nan 0.000 0.488 408 W N 1.653 122.976 121.300 0.039 0.000 2.313 408 W HA -0.139 4.521 4.660 -0.000 0.000 0.293 408 W C 1.570 178.124 176.519 0.059 0.000 1.216 408 W CA 0.672 58.065 57.345 0.081 0.000 1.223 408 W CB -0.881 28.524 29.460 -0.092 0.000 1.138 408 W HN 0.381 nan 8.180 nan 0.000 0.535 409 L N 2.571 123.275 121.223 -0.865 0.000 2.240 409 L HA 0.261 4.601 4.340 -0.000 0.000 0.211 409 L C 2.558 179.286 176.870 -0.237 0.000 1.106 409 L CA 2.417 56.783 54.840 -0.791 0.000 0.793 409 L CB -1.040 40.227 42.059 -1.320 0.000 0.927 409 L HN 0.009 nan 8.230 nan 0.000 0.446 410 G N -0.718 107.976 108.800 -0.176 0.000 2.394 410 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 410 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 410 G C 1.406 176.378 174.900 0.120 0.000 1.165 410 G CA 0.539 45.620 45.100 -0.031 0.000 0.784 410 G HN 0.393 nan 8.290 nan 0.000 0.535 411 N N 0.847 119.680 118.700 0.222 0.000 2.084 411 N HA -0.054 4.685 4.740 -0.000 0.000 0.190 411 N C 2.267 177.954 175.510 0.295 0.000 1.030 411 N CA 0.815 54.112 53.050 0.412 0.000 0.849 411 N CB -0.258 38.523 38.487 0.490 0.000 1.012 411 N HN 0.309 nan 8.380 nan 0.000 0.423 412 I N 1.140 121.858 120.570 0.247 0.000 2.208 412 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 412 I C 2.088 178.299 176.117 0.158 0.000 1.097 412 I CA 1.028 62.450 61.300 0.202 0.000 1.363 412 I CB -0.195 38.013 38.000 0.347 0.000 1.051 412 I HN 0.080 nan 8.210 nan 0.000 0.413 413 I N -0.226 120.449 120.570 0.174 0.000 2.162 413 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 413 I C 2.556 178.831 176.117 0.262 0.000 1.076 413 I CA 1.169 62.595 61.300 0.209 0.000 1.353 413 I CB -0.274 37.845 38.000 0.198 0.000 1.063 413 I HN 0.188 nan 8.210 nan 0.000 0.408 414 M N -0.350 119.345 119.600 0.158 0.000 2.229 414 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 414 M C 1.197 177.433 176.300 -0.106 0.000 1.063 414 M CA 1.801 57.114 55.300 0.021 0.000 1.114 414 M CB -0.889 31.613 32.600 -0.164 0.000 1.387 414 M HN 0.230 nan 8.290 nan 0.000 0.420 415 Y N -0.789 119.541 120.300 0.048 0.000 2.751 415 Y HA 0.436 4.985 4.550 -0.000 0.000 0.289 415 Y C 1.766 177.417 175.900 -0.415 0.000 1.110 415 Y CA -0.268 57.743 58.100 -0.147 0.000 1.251 415 Y CB -0.556 37.817 38.460 -0.145 0.000 1.178 415 Y HN 0.157 nan 8.280 nan 0.000 0.540 416 A N 1.719 124.347 122.820 -0.320 0.000 1.892 416 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 416 A C -0.169 177.111 177.584 -0.507 0.000 1.188 416 A CA 1.515 53.322 52.037 -0.382 0.000 0.631 416 A CB -1.512 17.320 19.000 -0.281 0.000 0.822 416 A HN 0.269 nan 8.150 nan 0.000 0.447 417 P HA -0.023 nan 4.420 nan 0.000 0.234 417 P C 0.670 177.619 177.300 -0.585 0.000 1.167 417 P CA 1.352 64.100 63.100 -0.587 0.000 0.763 417 P CB -0.793 30.553 31.700 -0.591 0.000 0.835 418 T N -2.075 112.216 114.554 -0.439 0.000 2.766 418 T HA 0.160 4.510 4.350 -0.000 0.000 0.295 418 T C 1.266 175.762 174.700 -0.340 0.000 1.024 418 T CA -0.667 61.255 62.100 -0.295 0.000 1.018 418 T CB 0.802 69.416 68.868 -0.423 0.000 1.002 418 T HN 0.009 nan 8.240 nan 0.000 0.532 419 L N 0.175 121.329 121.223 -0.114 0.000 2.375 419 L HA 0.234 4.574 4.340 -0.000 0.000 0.215 419 L C 2.202 178.866 176.870 -0.344 0.000 1.108 419 L CA 0.046 54.672 54.840 -0.357 0.000 0.830 419 L CB -0.365 41.397 42.059 -0.496 0.000 0.959 419 L HN 0.872 nan 8.230 nan 0.000 0.457 420 W N -0.111 121.076 121.300 -0.189 0.000 2.476 420 W HA 0.182 4.842 4.660 -0.000 0.000 0.281 420 W C 1.933 178.325 176.519 -0.212 0.000 1.230 420 W CA 0.568 57.781 57.345 -0.220 0.000 1.287 420 W CB -1.070 28.291 29.460 -0.164 0.000 1.108 420 W HN 0.251 nan 8.180 nan 0.000 0.567 421 A N 1.995 124.304 122.820 -0.852 0.000 1.897 421 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 421 A C 2.264 179.636 177.584 -0.353 0.000 1.181 421 A CA 1.501 53.165 52.037 -0.621 0.000 0.620 421 A CB -0.720 17.783 19.000 -0.829 0.000 0.821 421 A HN 0.249 nan 8.150 nan 0.000 0.443 422 R N -0.936 119.286 120.500 -0.463 0.000 2.075 422 R HA 0.059 4.399 4.340 -0.000 0.000 0.232 422 R C 2.087 178.105 176.300 -0.471 0.000 1.126 422 R CA 1.702 57.517 56.100 -0.475 0.000 0.963 422 R CB -0.311 29.573 30.300 -0.695 0.000 0.858 422 R HN 0.497 nan 8.270 nan 0.000 0.435 423 M N -0.456 118.780 119.600 -0.606 0.000 2.476 423 M HA 0.078 4.557 4.480 -0.000 0.000 0.262 423 M C 1.665 177.865 176.300 -0.166 0.000 1.111 423 M CA 1.120 56.171 55.300 -0.414 0.000 1.127 423 M CB 0.418 32.687 32.600 -0.552 0.000 1.376 423 M HN 0.130 nan 8.290 nan 0.000 0.465 424 I N -1.162 119.182 120.570 -0.377 0.000 3.366 424 I HA -0.037 4.133 4.170 -0.000 0.000 0.267 424 I C 1.926 177.828 176.117 -0.358 0.000 1.149 424 I CA 0.255 61.106 61.300 -0.747 0.000 1.436 424 I CB 0.020 37.500 38.000 -0.867 0.000 1.379 424 I HN 0.129 nan 8.210 nan 0.000 0.460 425 L N 0.557 121.719 121.223 -0.102 0.000 1.993 425 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 425 L C 2.717 179.765 176.870 0.296 0.000 1.074 425 L CA 1.552 56.481 54.840 0.149 0.000 0.746 425 L CB -0.510 41.733 42.059 0.305 0.000 0.896 425 L HN 0.203 nan 8.230 nan 0.000 0.435 426 M N -0.682 119.081 119.600 0.272 0.000 2.082 426 M HA -0.231 4.249 4.480 -0.000 0.000 0.258 426 M C 2.316 178.975 176.300 0.599 0.000 1.069 426 M CA 2.174 57.713 55.300 0.400 0.000 1.102 426 M CB -0.985 31.629 32.600 0.023 0.000 1.336 426 M HN 0.308 nan 8.290 nan 0.000 0.404 427 T N -1.178 113.698 114.554 0.538 0.000 2.622 427 T HA -0.242 4.108 4.350 -0.000 0.000 0.266 427 T C 1.697 176.693 174.700 0.492 0.000 1.047 427 T CA 2.077 64.612 62.100 0.725 0.000 1.159 427 T CB -0.590 68.739 68.868 0.768 0.000 0.863 427 T HN 0.494 nan 8.240 nan 0.000 0.422 428 H N 0.007 119.210 119.070 0.221 0.000 2.387 428 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 428 H C 1.728 176.906 175.328 -0.250 0.000 1.099 428 H CA 1.600 57.640 56.048 -0.013 0.000 1.315 428 H CB -0.372 29.192 29.762 -0.330 0.000 1.380 428 H HN 0.458 nan 8.280 nan 0.000 0.513 429 F N -1.714 118.251 119.950 0.025 0.000 2.243 429 F HA 0.033 4.560 4.527 -0.000 0.000 0.287 429 F C 1.778 177.534 175.800 -0.074 0.000 1.067 429 F CA 0.028 57.876 58.000 -0.254 0.000 1.304 429 F CB -0.324 38.307 39.000 -0.615 0.000 1.087 429 F HN 0.057 nan 8.300 nan 0.000 0.513 430 F N 0.387 120.474 119.950 0.228 0.000 2.373 430 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 430 F C 2.638 178.481 175.800 0.072 0.000 1.080 430 F CA 1.342 59.459 58.000 0.194 0.000 1.417 430 F CB -0.777 38.404 39.000 0.301 0.000 1.070 430 F HN -0.049 nan 8.300 nan 0.000 0.546 431 S N 0.620 116.436 115.700 0.192 0.000 2.343 431 S HA -0.179 4.291 4.470 -0.000 0.000 0.219 431 S C 2.104 176.699 174.600 -0.007 0.000 1.033 431 S CA 1.663 59.898 58.200 0.058 0.000 1.014 431 S CB -0.423 62.788 63.200 0.017 0.000 0.915 431 S HN 0.352 nan 8.310 nan 0.000 0.435 432 I N 1.489 122.016 120.570 -0.072 0.000 2.493 432 I HA -0.042 4.128 4.170 -0.000 0.000 0.254 432 I C 1.504 177.605 176.117 -0.026 0.000 1.160 432 I CA 0.731 61.993 61.300 -0.064 0.000 1.445 432 I CB -0.359 37.583 38.000 -0.096 0.000 1.086 432 I HN 0.279 nan 8.210 nan 0.000 0.433 433 L N 0.911 122.118 121.223 -0.027 0.000 2.737 433 L HA -0.026 4.314 4.340 -0.000 0.000 0.246 433 L C 1.652 178.516 176.870 -0.010 0.000 1.153 433 L CA 0.512 55.329 54.840 -0.038 0.000 0.920 433 L CB -0.180 41.802 42.059 -0.128 0.000 1.090 433 L HN 0.391 nan 8.230 nan 0.000 0.430 434 L N -1.585 119.641 121.223 0.005 0.000 2.854 434 L HA 0.229 4.569 4.340 -0.000 0.000 0.249 434 L C 2.046 178.918 176.870 0.003 0.000 1.091 434 L CA 0.242 55.090 54.840 0.013 0.000 0.935 434 L CB 0.166 42.238 42.059 0.023 0.000 1.367 434 L HN 0.117 nan 8.230 nan 0.000 0.524 435 A N -0.441 122.376 122.820 -0.004 0.000 2.302 435 A HA 0.102 4.421 4.320 -0.000 0.000 0.219 435 A C 1.261 178.843 177.584 -0.004 0.000 1.243 435 A CA 0.406 52.439 52.037 -0.007 0.000 0.856 435 A CB -0.070 18.922 19.000 -0.013 0.000 0.893 435 A HN 0.518 nan 8.150 nan 0.000 0.491 436 Q N -0.932 118.868 119.800 -0.001 0.000 1.988 436 Q HA 0.082 4.421 4.340 -0.000 0.000 0.202 436 Q C -1.062 174.940 176.000 0.004 0.000 0.760 436 Q CA -0.219 55.586 55.803 0.002 0.000 0.940 436 Q CB 0.438 29.178 28.738 0.004 0.000 1.214 436 Q HN 0.710 nan 8.270 nan 0.000 0.432 437 E N 1.581 121.784 120.200 0.005 0.000 2.369 437 E HA -0.258 4.092 4.350 -0.000 0.000 0.165 437 E C -0.358 176.247 176.600 0.009 0.000 1.622 437 E CA 0.570 56.975 56.400 0.009 0.000 0.660 437 E CB -0.945 28.761 29.700 0.009 0.000 1.085 437 E HN 0.472 nan 8.360 nan 0.000 0.346 438 Q N 0.314 120.117 119.800 0.005 0.000 2.086 438 Q HA 0.179 4.519 4.340 -0.000 0.000 0.220 438 Q C 1.432 177.432 176.000 -0.001 0.000 0.792 438 Q CA -0.235 55.572 55.803 0.008 0.000 1.062 438 Q CB 0.489 29.236 28.738 0.015 0.000 1.198 438 Q HN 0.426 nan 8.270 nan 0.000 0.466 439 L N 0.383 121.602 121.223 -0.007 0.000 2.349 439 L HA -0.195 4.144 4.340 -0.000 0.000 0.220 439 L C 1.181 178.062 176.870 0.018 0.000 1.130 439 L CA 1.242 56.073 54.840 -0.015 0.000 0.791 439 L CB -0.094 41.985 42.059 0.032 0.000 0.918 439 L HN 0.208 nan 8.230 nan 0.000 0.444 440 E N -0.581 119.635 120.200 0.026 0.000 2.364 440 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 440 E C 0.719 177.339 176.600 0.034 0.000 0.990 440 E CA 0.127 56.547 56.400 0.034 0.000 0.886 440 E CB 0.129 29.848 29.700 0.032 0.000 0.866 440 E HN 0.169 nan 8.360 nan 0.000 0.493 441 K N 1.724 122.142 120.400 0.030 0.000 2.383 441 K HA 0.339 4.659 4.320 -0.000 0.000 0.286 441 K C -0.405 176.220 176.600 0.042 0.000 1.051 441 K CA -0.257 56.051 56.287 0.035 0.000 0.974 441 K CB 0.493 33.013 32.500 0.034 0.000 0.968 441 K HN 0.053 nan 8.250 nan 0.000 0.475 442 A N 4.993 127.839 122.820 0.044 0.000 2.445 442 A HA 0.361 4.680 4.320 -0.000 0.000 0.242 442 A C -0.522 177.083 177.584 0.036 0.000 1.075 442 A CA -0.273 51.790 52.037 0.044 0.000 0.777 442 A CB 0.205 19.236 19.000 0.052 0.000 1.013 442 A HN 0.768 nan 8.150 nan 0.000 0.493 443 L N 1.330 122.560 121.223 0.012 0.000 2.354 443 L HA 0.432 4.772 4.340 -0.000 0.000 0.264 443 L C -0.592 176.238 176.870 -0.067 0.000 1.008 443 L CA -0.922 53.905 54.840 -0.023 0.000 0.819 443 L CB 2.091 44.121 42.059 -0.048 0.000 1.339 443 L HN 0.612 nan 8.230 nan 0.000 0.420 444 D N 0.655 121.002 120.400 -0.088 0.000 2.229 444 D HA 0.600 5.239 4.640 -0.000 0.000 0.249 444 D C -0.778 175.421 176.300 -0.168 0.000 1.027 444 D CA 0.034 53.977 54.000 -0.095 0.000 0.923 444 D CB 2.121 42.873 40.800 -0.079 0.000 1.174 444 D HN 0.655 nan 8.370 nan 0.000 0.443 445 C N -0.071 119.144 119.300 -0.142 0.000 3.307 445 C HA 0.556 5.016 4.460 -0.000 0.000 0.333 445 C C -1.097 173.835 174.990 -0.097 0.000 1.291 445 C CA -0.845 58.073 59.018 -0.167 0.000 1.273 445 C CB 0.977 28.566 27.740 -0.251 0.000 1.580 445 C HN 0.573 nan 8.230 nan 0.000 0.481 446 Q N 0.739 120.496 119.800 -0.072 0.000 2.257 446 Q HA 0.836 5.176 4.340 -0.000 0.000 0.262 446 Q C -1.082 174.901 176.000 -0.028 0.000 0.997 446 Q CA -0.544 55.245 55.803 -0.023 0.000 0.873 446 Q CB 2.305 31.043 28.738 -0.001 0.000 1.312 446 Q HN 0.731 nan 8.270 nan 0.000 0.450 447 I N 1.982 122.557 120.570 0.009 0.000 2.563 447 I HA 0.129 4.299 4.170 -0.000 0.000 0.285 447 I C -0.949 175.269 176.117 0.168 0.000 1.123 447 I CA -0.301 60.975 61.300 -0.041 0.000 1.059 447 I CB 1.036 38.764 38.000 -0.454 0.000 1.229 447 I HN 0.837 nan 8.210 nan 0.000 0.442 448 Y N 4.627 124.994 120.300 0.112 0.000 4.490 448 Y HA -0.347 4.203 4.550 -0.000 0.000 0.233 448 Y C 1.555 177.473 175.900 0.030 0.000 1.101 448 Y CA 0.418 58.590 58.100 0.119 0.000 2.010 448 Y CB -1.276 37.257 38.460 0.121 0.000 1.622 448 Y HN 0.969 nan 8.280 nan 0.000 0.675 449 G N -0.996 107.915 108.800 0.185 0.000 2.420 449 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.221 449 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.221 449 G C 0.326 175.231 174.900 0.008 0.000 1.117 449 G CA -0.137 45.017 45.100 0.091 0.000 0.657 449 G HN 1.381 nan 8.290 nan 0.000 0.512 450 A N 0.235 123.049 122.820 -0.010 0.000 2.498 450 A HA 0.484 4.804 4.320 -0.000 0.000 0.239 450 A C 0.905 178.221 177.584 -0.446 0.000 1.068 450 A CA 0.935 52.725 52.037 -0.413 0.000 0.766 450 A CB 0.206 18.783 19.000 -0.705 0.000 1.003 450 A HN 1.731 nan 8.150 nan 0.000 0.497 451 C N 3.129 122.064 119.300 -0.608 0.000 2.388 451 C HA 0.796 5.256 4.460 -0.000 0.000 0.362 451 C C -0.955 173.484 174.990 -0.919 0.000 1.266 451 C CA -0.478 58.267 59.018 -0.455 0.000 2.028 451 C CB -0.943 26.724 27.740 -0.121 0.000 2.440 451 C HN 0.668 nan 8.230 nan 0.000 0.547 452 Y N 2.400 122.415 120.300 -0.475 0.000 2.524 452 Y HA 0.478 5.028 4.550 -0.000 0.000 0.347 452 Y C 0.226 175.941 175.900 -0.308 0.000 1.005 452 Y CA -0.575 57.221 58.100 -0.506 0.000 1.025 452 Y CB 1.735 39.840 38.460 -0.591 0.000 1.275 452 Y HN 0.572 nan 8.280 nan 0.000 0.460 453 S N 3.306 118.968 115.700 -0.063 0.000 2.422 453 S HA 0.772 5.241 4.470 -0.000 0.000 0.308 453 S C -0.970 173.665 174.600 0.057 0.000 1.097 453 S CA -0.296 57.918 58.200 0.023 0.000 1.099 453 S CB -0.398 62.854 63.200 0.086 0.000 0.976 453 S HN 0.525 nan 8.310 nan 0.000 0.471 454 I N 3.517 124.108 120.570 0.035 0.000 2.730 454 I HA 0.436 4.606 4.170 -0.000 0.000 0.298 454 I C -0.313 175.837 176.117 0.055 0.000 1.089 454 I CA -0.767 60.575 61.300 0.070 0.000 1.041 454 I CB 2.367 40.410 38.000 0.071 0.000 1.235 454 I HN 0.517 nan 8.210 nan 0.000 0.423 455 E N 5.639 125.887 120.200 0.081 0.000 2.134 455 E HA 0.240 4.590 4.350 -0.000 0.000 0.278 455 E C -1.899 174.761 176.600 0.100 0.000 0.959 455 E CA -1.615 54.830 56.400 0.076 0.000 0.783 455 E CB 1.758 31.503 29.700 0.075 0.000 1.095 455 E HN 0.298 nan 8.360 nan 0.000 0.399 456 P HA -0.234 nan 4.420 nan 0.000 0.217 456 P C 0.983 178.428 177.300 0.241 0.000 1.158 456 P CA 1.284 64.446 63.100 0.102 0.000 0.887 456 P CB 0.186 31.800 31.700 -0.144 0.000 0.792 457 L N -1.020 120.310 121.223 0.179 0.000 2.651 457 L HA -0.149 4.191 4.340 -0.000 0.000 0.236 457 L C 1.072 178.049 176.870 0.178 0.000 1.173 457 L CA 1.151 56.121 54.840 0.217 0.000 0.843 457 L CB -0.621 41.522 42.059 0.140 0.000 0.964 457 L HN 0.075 nan 8.230 nan 0.000 0.454 458 D N -1.115 119.385 120.400 0.168 0.000 2.433 458 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 458 D C 2.128 178.513 176.300 0.142 0.000 1.114 458 D CA 0.019 54.090 54.000 0.119 0.000 0.837 458 D CB 0.606 41.460 40.800 0.091 0.000 0.984 458 D HN 0.294 nan 8.370 nan 0.000 0.505 459 L N 1.227 122.589 121.223 0.232 0.000 2.013 459 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 459 L C -0.439 176.561 176.870 0.217 0.000 1.073 459 L CA 1.818 56.813 54.840 0.258 0.000 0.753 459 L CB -1.647 40.651 42.059 0.397 0.000 0.890 459 L HN -0.001 nan 8.230 nan 0.000 0.432 460 P HA -0.217 nan 4.420 nan 0.000 0.215 460 P C 1.380 178.742 177.300 0.103 0.000 1.157 460 P CA 1.413 64.582 63.100 0.115 0.000 0.874 460 P CB 0.035 31.653 31.700 -0.136 0.000 0.790 461 Q N -0.826 118.980 119.800 0.009 0.000 2.020 461 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 461 Q C 2.218 178.225 176.000 0.012 0.000 0.982 461 Q CA 1.345 57.140 55.803 -0.013 0.000 0.838 461 Q CB -1.166 27.547 28.738 -0.043 0.000 0.899 461 Q HN 0.245 nan 8.270 nan 0.000 0.423 462 I N 0.342 120.917 120.570 0.009 0.000 2.091 462 I HA -0.332 3.838 4.170 -0.000 0.000 0.239 462 I C 2.184 178.303 176.117 0.004 0.000 1.061 462 I CA 1.411 62.682 61.300 -0.048 0.000 1.317 462 I CB -0.461 37.540 38.000 0.003 0.000 1.031 462 I HN 0.195 nan 8.210 nan 0.000 0.401 463 I N 0.545 121.188 120.570 0.121 0.000 2.118 463 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 463 I C 2.676 178.839 176.117 0.076 0.000 1.070 463 I CA 1.900 63.293 61.300 0.155 0.000 1.327 463 I CB -0.544 37.575 38.000 0.197 0.000 1.034 463 I HN 0.364 nan 8.210 nan 0.000 0.405 464 E N 0.989 121.296 120.200 0.177 0.000 2.267 464 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 464 E C 2.274 178.891 176.600 0.029 0.000 0.998 464 E CA 0.986 57.477 56.400 0.151 0.000 0.830 464 E CB 0.121 29.990 29.700 0.282 0.000 0.751 464 E HN 0.392 nan 8.360 nan 0.000 0.491 465 R N -0.225 120.260 120.500 -0.024 0.000 2.080 465 R HA 0.009 4.349 4.340 -0.000 0.000 0.222 465 R C 2.474 178.689 176.300 -0.141 0.000 1.107 465 R CA 0.864 56.914 56.100 -0.084 0.000 0.980 465 R CB -0.095 30.127 30.300 -0.131 0.000 0.879 465 R HN 0.308 nan 8.270 nan 0.000 0.439 466 L N -0.777 120.311 121.223 -0.225 0.000 2.249 466 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 466 L C 1.760 178.294 176.870 -0.559 0.000 1.090 466 L CA 0.837 55.416 54.840 -0.434 0.000 0.802 466 L CB -0.337 41.373 42.059 -0.581 0.000 0.947 466 L HN 0.191 nan 8.230 nan 0.000 0.453 467 H N -0.091 118.904 119.070 -0.125 0.000 2.740 467 H HA 0.368 4.924 4.556 -0.000 0.000 0.265 467 H C 0.997 176.242 175.328 -0.138 0.000 0.978 467 H CA 0.738 56.698 56.048 -0.146 0.000 1.198 467 H CB 1.024 30.669 29.762 -0.195 0.000 1.467 467 H HN 0.300 nan 8.280 nan 0.000 0.511 468 G N 0.739 109.524 108.800 -0.026 0.000 2.663 468 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 468 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 468 G C 0.408 175.297 174.900 -0.020 0.000 1.288 468 G CA -0.148 44.945 45.100 -0.013 0.000 0.836 468 G HN 0.256 nan 8.290 nan 0.000 0.584 469 L N 0.848 122.115 121.223 0.074 0.000 2.217 469 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 469 L C 3.147 180.097 176.870 0.134 0.000 1.107 469 L CA 2.137 57.111 54.840 0.223 0.000 0.783 469 L CB -0.403 41.820 42.059 0.273 0.000 0.919 469 L HN 0.944 nan 8.230 nan 0.000 0.442 470 S N 0.019 115.733 115.700 0.024 0.000 2.420 470 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 470 S C 2.006 176.538 174.600 -0.113 0.000 1.023 470 S CA 0.903 59.099 58.200 -0.006 0.000 0.991 470 S CB -0.649 62.531 63.200 -0.034 0.000 0.792 470 S HN 0.431 nan 8.310 nan 0.000 0.488 471 A N 0.375 123.009 122.820 -0.309 0.000 2.245 471 A HA 0.116 4.435 4.320 -0.000 0.000 0.217 471 A C 1.454 178.735 177.584 -0.505 0.000 1.171 471 A CA 0.966 52.714 52.037 -0.482 0.000 0.688 471 A CB -0.984 17.658 19.000 -0.596 0.000 0.781 471 A HN 0.670 nan 8.150 nan 0.000 0.479 472 F N -1.628 118.351 119.950 0.048 0.000 2.720 472 F HA 0.160 4.687 4.527 -0.000 0.000 0.301 472 F C 1.238 177.095 175.800 0.095 0.000 1.103 472 F CA 0.379 58.431 58.000 0.086 0.000 1.291 472 F CB 0.564 39.649 39.000 0.141 0.000 1.086 472 F HN 0.031 nan 8.300 nan 0.000 0.592 473 S N 1.085 116.911 115.700 0.210 0.000 2.751 473 S HA 0.364 4.834 4.470 -0.000 0.000 0.247 473 S C -0.062 174.663 174.600 0.210 0.000 1.103 473 S CA -0.316 58.004 58.200 0.201 0.000 1.090 473 S CB -0.056 63.251 63.200 0.178 0.000 0.928 473 S HN 0.032 nan 8.310 nan 0.000 0.502 474 L N 3.353 124.658 121.223 0.136 0.000 2.305 474 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 474 L C 0.328 177.405 176.870 0.345 0.000 1.085 474 L CA -0.284 54.620 54.840 0.107 0.000 0.813 474 L CB 0.338 42.329 42.059 -0.113 0.000 1.157 474 L HN 0.541 nan 8.230 nan 0.000 0.436 475 H N -0.864 118.353 119.070 0.244 0.000 2.977 475 H HA 0.497 5.053 4.556 -0.000 0.000 0.350 475 H C -0.278 175.279 175.328 0.383 0.000 1.238 475 H CA -1.091 55.132 56.048 0.291 0.000 1.124 475 H CB 1.483 31.344 29.762 0.166 0.000 1.866 475 H HN 0.400 nan 8.280 nan 0.000 0.550 476 S N -0.197 115.715 115.700 0.353 0.000 3.791 476 S HA -0.205 4.264 4.470 -0.000 0.000 0.393 476 S C -0.865 173.965 174.600 0.384 0.000 0.936 476 S CA 0.139 58.520 58.200 0.301 0.000 1.234 476 S CB -2.239 61.050 63.200 0.148 0.000 0.891 476 S HN 0.523 nan 8.310 nan 0.000 0.519 477 Y N 2.108 122.454 120.300 0.077 0.000 2.397 477 Y HA 0.331 4.880 4.550 -0.000 0.000 0.335 477 Y C 1.398 177.353 175.900 0.092 0.000 1.213 477 Y CA -0.961 57.184 58.100 0.074 0.000 1.391 477 Y CB 0.429 38.922 38.460 0.055 0.000 1.293 477 Y HN 0.534 nan 8.280 nan 0.000 0.557 478 S N 3.421 119.242 115.700 0.202 0.000 2.537 478 S HA 0.059 4.529 4.470 -0.000 0.000 0.286 478 S C -1.952 172.729 174.600 0.135 0.000 1.299 478 S CA -1.045 57.236 58.200 0.136 0.000 1.067 478 S CB 0.895 64.139 63.200 0.074 0.000 0.864 478 S HN 0.463 nan 8.310 nan 0.000 0.494 479 P HA -0.140 nan 4.420 nan 0.000 0.218 479 P C 1.792 179.132 177.300 0.066 0.000 1.154 479 P CA 1.815 64.963 63.100 0.080 0.000 0.872 479 P CB -0.382 31.355 31.700 0.061 0.000 0.790 480 G N -0.251 108.581 108.800 0.054 0.000 2.459 480 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 480 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 480 G C 1.635 176.561 174.900 0.044 0.000 1.183 480 G CA 1.279 46.401 45.100 0.035 0.000 0.776 480 G HN 0.287 nan 8.290 nan 0.000 0.552 481 E N 0.727 120.971 120.200 0.073 0.000 2.017 481 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 481 E C 2.506 179.176 176.600 0.118 0.000 0.997 481 E CA 1.139 57.606 56.400 0.110 0.000 0.804 481 E CB -0.480 29.338 29.700 0.196 0.000 0.757 481 E HN 0.491 nan 8.360 nan 0.000 0.448 482 I N 0.820 121.469 120.570 0.133 0.000 2.145 482 I HA -0.347 3.823 4.170 -0.000 0.000 0.244 482 I C 2.397 178.545 176.117 0.052 0.000 1.075 482 I CA 1.722 63.075 61.300 0.087 0.000 1.332 482 I CB -0.627 37.419 38.000 0.076 0.000 1.033 482 I HN 0.272 nan 8.210 nan 0.000 0.410 483 N N 1.141 119.868 118.700 0.046 0.000 2.106 483 N HA -0.221 4.518 4.740 -0.000 0.000 0.188 483 N C 1.995 177.512 175.510 0.011 0.000 1.029 483 N CA 1.378 54.444 53.050 0.026 0.000 0.848 483 N CB -0.180 38.321 38.487 0.023 0.000 1.007 483 N HN 0.137 nan 8.380 nan 0.000 0.423 484 R N -0.109 120.395 120.500 0.007 0.000 2.091 484 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 484 R C 1.796 178.072 176.300 -0.040 0.000 1.136 484 R CA 1.535 57.621 56.100 -0.023 0.000 0.959 484 R CB -0.416 29.864 30.300 -0.033 0.000 0.856 484 R HN 0.119 nan 8.270 nan 0.000 0.437 485 V N 0.973 120.876 119.914 -0.019 0.000 2.237 485 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 485 V C 2.509 178.591 176.094 -0.020 0.000 1.046 485 V CA 2.005 64.287 62.300 -0.032 0.000 1.007 485 V CB -0.907 30.935 31.823 0.032 0.000 0.638 485 V HN 0.598 nan 8.190 nan 0.000 0.445 486 A N -0.044 122.778 122.820 0.004 0.000 1.927 486 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 486 A C 2.454 180.040 177.584 0.003 0.000 1.185 486 A CA 2.637 54.683 52.037 0.015 0.000 0.639 486 A CB -0.887 18.126 19.000 0.022 0.000 0.820 486 A HN 0.561 nan 8.150 nan 0.000 0.451 487 S N -1.260 114.434 115.700 -0.010 0.000 2.370 487 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 487 S C 2.040 176.620 174.600 -0.034 0.000 1.033 487 S CA 1.251 59.439 58.200 -0.020 0.000 1.011 487 S CB -1.067 62.117 63.200 -0.025 0.000 0.852 487 S HN 0.789 nan 8.310 nan 0.000 0.457 488 C N 2.242 121.513 119.300 -0.049 0.000 2.436 488 C HA 0.010 4.470 4.460 -0.000 0.000 0.277 488 C C 2.502 177.466 174.990 -0.043 0.000 1.241 488 C CA 0.593 59.571 59.018 -0.066 0.000 1.721 488 C CB -1.621 26.054 27.740 -0.109 0.000 2.043 488 C HN 0.586 nan 8.230 nan 0.000 0.472 489 L N 0.467 121.679 121.223 -0.019 0.000 2.051 489 L HA -0.210 4.130 4.340 -0.000 0.000 0.214 489 L C 2.944 179.833 176.870 0.033 0.000 1.076 489 L CA 1.982 56.838 54.840 0.027 0.000 0.758 489 L CB -0.908 41.191 42.059 0.067 0.000 0.890 489 L HN 0.431 nan 8.230 nan 0.000 0.433 490 R N 0.098 120.605 120.500 0.011 0.000 2.115 490 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 490 R C 2.307 178.563 176.300 -0.073 0.000 1.111 490 R CA 1.176 57.276 56.100 -0.001 0.000 0.976 490 R CB -0.209 30.091 30.300 -0.001 0.000 0.870 490 R HN 0.365 nan 8.270 nan 0.000 0.445 491 K N 1.342 121.687 120.400 -0.092 0.000 2.001 491 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 491 K C 1.967 178.410 176.600 -0.262 0.000 1.048 491 K CA 1.186 57.376 56.287 -0.161 0.000 0.932 491 K CB -0.025 32.416 32.500 -0.100 0.000 0.715 491 K HN 0.086 nan 8.250 nan 0.000 0.437 492 L N -0.973 120.180 121.223 -0.117 0.000 2.109 492 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 492 L C 1.417 178.386 176.870 0.165 0.000 1.086 492 L CA 1.010 55.836 54.840 -0.022 0.000 0.760 492 L CB -0.097 41.985 42.059 0.037 0.000 0.910 492 L HN 0.723 nan 8.230 nan 0.000 0.437 493 G N -0.585 108.322 108.800 0.178 0.000 2.151 493 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.140 493 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.140 493 G C -0.039 174.986 174.900 0.207 0.000 1.020 493 G CA -0.350 44.959 45.100 0.349 0.000 0.688 493 G HN 0.018 nan 8.290 nan 0.000 0.500 494 V N 1.922 121.946 119.914 0.184 0.000 2.488 494 V HA 0.343 4.462 4.120 -0.000 0.000 0.277 494 V C -1.348 174.935 176.094 0.314 0.000 1.046 494 V CA -1.259 61.197 62.300 0.259 0.000 0.986 494 V CB 1.144 33.096 31.823 0.215 0.000 0.989 494 V HN 0.126 nan 8.190 nan 0.000 0.475 495 P HA -0.012 nan 4.420 nan 0.000 0.261 495 P C -2.292 175.199 177.300 0.318 0.000 1.165 495 P CA -0.385 62.797 63.100 0.138 0.000 0.759 495 P CB -0.194 31.339 31.700 -0.278 0.000 0.772 496 P HA -0.025 nan 4.420 nan 0.000 0.269 496 P C 1.062 178.514 177.300 0.254 0.000 1.217 496 P CA 0.093 63.298 63.100 0.175 0.000 0.783 496 P CB 0.711 32.460 31.700 0.082 0.000 0.898 497 L N 0.973 122.337 121.223 0.236 0.000 2.171 497 L HA -0.286 4.053 4.340 -0.000 0.000 0.216 497 L C 2.946 179.916 176.870 0.167 0.000 1.084 497 L CA 2.311 57.294 54.840 0.239 0.000 0.771 497 L CB -0.831 41.282 42.059 0.089 0.000 0.890 497 L HN 0.517 nan 8.230 nan 0.000 0.437 498 R N -0.368 120.153 120.500 0.035 0.000 2.081 498 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 498 R C 2.002 178.002 176.300 -0.501 0.000 1.131 498 R CA 1.654 57.681 56.100 -0.122 0.000 0.960 498 R CB -1.142 29.115 30.300 -0.071 0.000 0.856 498 R HN 0.127 nan 8.270 nan 0.000 0.436 499 V N 0.556 120.214 119.914 -0.427 0.000 2.332 499 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 499 V C 1.925 177.725 176.094 -0.490 0.000 1.055 499 V CA 1.998 63.950 62.300 -0.580 0.000 1.038 499 V CB -0.777 30.741 31.823 -0.508 0.000 0.651 499 V HN 0.433 nan 8.190 nan 0.000 0.450 500 W N -0.068 121.198 121.300 -0.057 0.000 2.519 500 W HA -0.009 4.650 4.660 -0.000 0.000 0.266 500 W C 2.658 179.310 176.519 0.221 0.000 1.253 500 W CA 1.021 58.428 57.345 0.104 0.000 1.274 500 W CB -0.260 29.278 29.460 0.129 0.000 1.114 500 W HN 0.070 nan 8.180 nan 0.000 0.596 501 R N -0.115 120.558 120.500 0.288 0.000 2.090 501 R HA -0.122 4.218 4.340 -0.000 0.000 0.228 501 R C 1.718 178.168 176.300 0.249 0.000 1.110 501 R CA 1.796 58.108 56.100 0.352 0.000 0.973 501 R CB -0.493 29.981 30.300 0.290 0.000 0.869 501 R HN 0.343 nan 8.270 nan 0.000 0.440 502 H N -0.462 118.663 119.070 0.091 0.000 2.276 502 H HA -0.021 4.535 4.556 -0.000 0.000 0.301 502 H C 2.292 177.624 175.328 0.006 0.000 1.073 502 H CA 1.233 57.290 56.048 0.016 0.000 1.311 502 H CB -0.041 29.709 29.762 -0.019 0.000 1.379 502 H HN 0.149 nan 8.280 nan 0.000 0.494 503 R N 0.902 121.481 120.500 0.132 0.000 2.119 503 R HA -0.170 4.170 4.340 -0.000 0.000 0.246 503 R C 2.624 178.989 176.300 0.109 0.000 1.146 503 R CA 1.050 57.200 56.100 0.083 0.000 0.962 503 R CB -0.411 29.919 30.300 0.049 0.000 0.863 503 R HN 0.306 nan 8.270 nan 0.000 0.442 504 A N 1.524 124.461 122.820 0.194 0.000 1.902 504 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 504 A C 2.154 179.670 177.584 -0.113 0.000 1.181 504 A CA 1.396 53.520 52.037 0.145 0.000 0.623 504 A CB -0.362 18.701 19.000 0.105 0.000 0.818 504 A HN 0.268 nan 8.150 nan 0.000 0.443 505 R N -0.597 119.845 120.500 -0.097 0.000 2.081 505 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 505 R C 2.641 178.862 176.300 -0.131 0.000 1.131 505 R CA 1.435 57.457 56.100 -0.129 0.000 0.960 505 R CB -0.554 29.704 30.300 -0.070 0.000 0.856 505 R HN 0.540 nan 8.270 nan 0.000 0.436 506 S N 0.444 116.091 115.700 -0.088 0.000 2.380 506 S HA -0.147 4.323 4.470 -0.000 0.000 0.217 506 S C 2.083 176.603 174.600 -0.134 0.000 1.036 506 S CA 1.567 59.716 58.200 -0.085 0.000 1.050 506 S CB -0.395 62.777 63.200 -0.047 0.000 1.016 506 S HN 0.124 nan 8.310 nan 0.000 0.419 507 V N 3.054 122.875 119.914 -0.155 0.000 2.250 507 V HA -0.273 3.846 4.120 -0.000 0.000 0.253 507 V C 2.741 178.614 176.094 -0.368 0.000 1.065 507 V CA 2.630 64.793 62.300 -0.229 0.000 1.039 507 V CB -0.922 30.749 31.823 -0.253 0.000 0.647 507 V HN 0.600 nan 8.190 nan 0.000 0.446 508 R N -0.208 119.960 120.500 -0.554 0.000 2.211 508 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 508 R C 2.034 178.183 176.300 -0.251 0.000 1.144 508 R CA 1.635 57.424 56.100 -0.519 0.000 0.992 508 R CB -0.290 29.756 30.300 -0.424 0.000 0.869 508 R HN 0.553 nan 8.270 nan 0.000 0.462 509 A N 1.308 124.016 122.820 -0.188 0.000 1.835 509 A HA -0.068 4.251 4.320 -0.000 0.000 0.213 509 A C 1.830 179.362 177.584 -0.087 0.000 1.210 509 A CA 1.217 53.184 52.037 -0.115 0.000 0.605 509 A CB -0.293 18.651 19.000 -0.094 0.000 0.860 509 A HN 0.332 nan 8.150 nan 0.000 0.447 510 K N -0.029 120.322 120.400 -0.082 0.000 2.228 510 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 510 K C 1.711 178.289 176.600 -0.038 0.000 1.045 510 K CA 1.401 57.657 56.287 -0.051 0.000 0.931 510 K CB -0.482 31.991 32.500 -0.044 0.000 0.727 510 K HN 0.457 nan 8.250 nan 0.000 0.458 511 L N 0.467 121.655 121.223 -0.060 0.000 2.179 511 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 511 L C 2.246 179.106 176.870 -0.017 0.000 1.096 511 L CA 0.670 55.495 54.840 -0.024 0.000 0.779 511 L CB -0.254 41.771 42.059 -0.057 0.000 0.922 511 L HN 0.135 nan 8.230 nan 0.000 0.443 512 L N -0.504 120.693 121.223 -0.043 0.000 2.023 512 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 512 L C 1.934 178.794 176.870 -0.018 0.000 1.073 512 L CA 1.035 55.857 54.840 -0.029 0.000 0.745 512 L CB -0.404 41.627 42.059 -0.047 0.000 0.900 512 L HN 0.278 nan 8.230 nan 0.000 0.435 513 S N -0.643 115.043 115.700 -0.024 0.000 3.593 513 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 513 S C 0.661 175.257 174.600 -0.007 0.000 1.333 513 S CA -0.009 58.181 58.200 -0.016 0.000 1.164 513 S CB 0.161 63.348 63.200 -0.022 0.000 1.281 513 S HN 0.509 nan 8.310 nan 0.000 0.457 514 Q N 0.132 119.932 119.800 0.001 0.000 1.818 514 Q HA 0.264 4.604 4.340 -0.000 0.000 0.183 514 Q C 0.876 176.887 176.000 0.019 0.000 0.734 514 Q CA 0.331 56.141 55.803 0.011 0.000 0.833 514 Q CB 0.059 28.807 28.738 0.018 0.000 1.217 514 Q HN 0.721 nan 8.270 nan 0.000 0.401 515 G N 0.318 109.128 108.800 0.017 0.000 2.568 515 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.797 515 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.797 515 G C 0.834 175.753 174.900 0.031 0.000 1.336 515 G CA 0.626 45.739 45.100 0.022 0.000 0.908 515 G HN 1.250 nan 8.290 nan 0.000 0.533 516 G N -1.312 107.507 108.800 0.030 0.000 3.594 516 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.285 516 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.285 516 G C 1.124 176.049 174.900 0.042 0.000 1.551 516 G CA 1.297 46.417 45.100 0.033 0.000 1.061 516 G HN 1.273 nan 8.290 nan 0.000 0.624 517 R N 0.340 120.873 120.500 0.055 0.000 2.310 517 R HA 0.542 4.882 4.340 -0.000 0.000 0.199 517 R C 2.801 179.165 176.300 0.106 0.000 0.891 517 R CA 0.960 57.102 56.100 0.070 0.000 1.060 517 R CB 0.055 30.399 30.300 0.072 0.000 1.188 517 R HN 0.611 nan 8.270 nan 0.000 0.607 518 A N 0.961 123.848 122.820 0.111 0.000 2.121 518 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 518 A C 1.966 179.618 177.584 0.113 0.000 1.154 518 A CA 1.646 53.772 52.037 0.148 0.000 0.679 518 A CB -0.235 18.835 19.000 0.116 0.000 0.795 518 A HN 0.336 nan 8.150 nan 0.000 0.458 519 A N -1.004 121.862 122.820 0.077 0.000 2.220 519 A HA 0.370 4.690 4.320 -0.000 0.000 0.211 519 A C 1.750 179.376 177.584 0.071 0.000 1.176 519 A CA 0.384 52.452 52.037 0.052 0.000 0.834 519 A CB -0.178 18.842 19.000 0.033 0.000 0.868 519 A HN 0.421 nan 8.150 nan 0.000 0.488 520 I N -1.174 119.449 120.570 0.088 0.000 3.030 520 I HA -0.145 4.025 4.170 -0.000 0.000 0.270 520 I C 1.937 178.133 176.117 0.132 0.000 1.211 520 I CA 0.330 61.699 61.300 0.115 0.000 1.479 520 I CB -0.021 38.005 38.000 0.043 0.000 1.105 520 I HN 0.358 nan 8.210 nan 0.000 0.447 521 C N 0.636 120.005 119.300 0.114 0.000 2.500 521 C HA 0.033 4.493 4.460 -0.000 0.000 0.279 521 C C 2.897 177.955 174.990 0.114 0.000 1.288 521 C CA 1.030 60.107 59.018 0.099 0.000 1.710 521 C CB -1.323 26.523 27.740 0.177 0.000 2.052 521 C HN 0.605 nan 8.230 nan 0.000 0.488 522 G N 0.150 108.997 108.800 0.079 0.000 2.509 522 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 522 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 522 G C 1.652 176.602 174.900 0.083 0.000 1.124 522 G CA 0.885 46.002 45.100 0.027 0.000 0.776 522 G HN 0.650 nan 8.290 nan 0.000 0.547 523 K N -0.935 119.517 120.400 0.087 0.000 2.067 523 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 523 K C 1.923 178.499 176.600 -0.040 0.000 1.048 523 K CA 0.557 56.856 56.287 0.020 0.000 0.954 523 K CB -0.150 32.372 32.500 0.036 0.000 0.737 523 K HN 0.322 nan 8.250 nan 0.000 0.444 524 Y N 0.836 121.058 120.300 -0.131 0.000 2.347 524 Y HA 0.101 4.651 4.550 -0.000 0.000 0.294 524 Y C 1.824 177.672 175.900 -0.087 0.000 1.117 524 Y CA 0.561 58.474 58.100 -0.311 0.000 1.184 524 Y CB 0.197 38.208 38.460 -0.748 0.000 1.047 524 Y HN -0.049 nan 8.280 nan 0.000 0.546 525 L N -1.660 119.668 121.223 0.176 0.000 2.554 525 L HA -0.017 4.323 4.340 -0.000 0.000 0.226 525 L C 0.155 176.914 176.870 -0.184 0.000 1.137 525 L CA 0.919 55.803 54.840 0.075 0.000 0.863 525 L CB -0.154 41.842 42.059 -0.106 0.000 0.985 525 L HN 0.187 nan 8.230 nan 0.000 0.451 526 F N -2.210 117.732 119.950 -0.013 0.000 2.859 526 F HA 0.175 4.702 4.527 -0.000 0.000 0.324 526 F C 1.452 176.962 175.800 -0.482 0.000 1.158 526 F CA -0.485 57.284 58.000 -0.385 0.000 1.147 526 F CB -0.309 38.465 39.000 -0.378 0.000 1.137 526 F HN -0.109 nan 8.300 nan 0.000 0.516 527 N N 1.104 119.773 118.700 -0.051 0.000 2.585 527 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 527 N C 1.641 177.141 175.510 -0.016 0.000 1.102 527 N CA 1.430 54.448 53.050 -0.053 0.000 0.920 527 N CB -0.126 38.344 38.487 -0.029 0.000 0.963 527 N HN 0.559 nan 8.380 nan 0.000 0.447 528 W N -1.822 119.508 121.300 0.049 0.000 3.197 528 W HA 0.458 5.118 4.660 -0.000 0.000 0.274 528 W C 0.456 177.007 176.519 0.054 0.000 1.297 528 W CA 0.195 57.561 57.345 0.034 0.000 1.662 528 W CB -0.475 28.986 29.460 0.001 0.000 1.106 528 W HN 0.070 nan 8.180 nan 0.000 0.663 529 A N 1.633 124.059 122.820 -0.656 0.000 2.423 529 A HA 0.380 4.700 4.320 -0.000 0.000 0.246 529 A C 0.265 177.728 177.584 -0.203 0.000 1.278 529 A CA 0.459 52.169 52.037 -0.544 0.000 0.903 529 A CB -0.662 17.772 19.000 -0.943 0.000 0.997 529 A HN 0.165 nan 8.150 nan 0.000 0.510 530 V N -3.811 116.025 119.914 -0.130 0.000 2.588 530 V HA 0.523 4.643 4.120 -0.000 0.000 0.304 530 V C 0.807 176.883 176.094 -0.030 0.000 1.042 530 V CA -0.859 61.396 62.300 -0.075 0.000 0.877 530 V CB 1.399 33.167 31.823 -0.091 0.000 0.996 530 V HN 0.344 nan 8.190 nan 0.000 0.425 531 R N 1.900 122.389 120.500 -0.018 0.000 2.088 531 R HA -0.036 4.303 4.340 -0.000 0.000 0.232 531 R C 0.841 177.130 176.300 -0.019 0.000 1.136 531 R CA 1.910 58.005 56.100 -0.008 0.000 0.926 531 R CB -0.344 29.952 30.300 -0.007 0.000 0.837 531 R HN 0.863 nan 8.270 nan 0.000 0.429 532 T N 2.905 117.442 114.554 -0.027 0.000 2.825 532 T HA 0.047 4.397 4.350 -0.000 0.000 0.270 532 T C -0.332 174.344 174.700 -0.039 0.000 0.919 532 T CA 0.473 62.554 62.100 -0.032 0.000 1.159 532 T CB 0.077 68.925 68.868 -0.033 0.000 0.889 532 T HN 0.096 nan 8.240 nan 0.000 0.565 533 K N 4.582 124.960 120.400 -0.036 0.000 2.284 533 K HA 0.295 4.615 4.320 -0.000 0.000 0.287 533 K C 0.368 176.935 176.600 -0.055 0.000 1.081 533 K CA -0.450 55.811 56.287 -0.043 0.000 0.910 533 K CB 0.735 33.219 32.500 -0.027 0.000 1.088 533 K HN 0.526 nan 8.250 nan 0.000 0.478 534 L N 2.312 123.490 121.223 -0.074 0.000 2.483 534 L HA 0.089 4.429 4.340 -0.000 0.000 0.275 534 L C 0.446 177.251 176.870 -0.108 0.000 1.220 534 L CA -0.133 54.654 54.840 -0.088 0.000 0.833 534 L CB -0.187 41.807 42.059 -0.107 0.000 1.102 534 L HN 0.360 nan 8.230 nan 0.000 0.490 535 K N 2.988 123.331 120.400 -0.095 0.000 2.339 535 K HA 0.420 4.739 4.320 -0.000 0.000 0.286 535 K C -0.864 175.637 176.600 -0.165 0.000 1.050 535 K CA -0.141 56.090 56.287 -0.093 0.000 0.956 535 K CB 0.634 33.103 32.500 -0.051 0.000 0.990 535 K HN 0.406 nan 8.250 nan 0.000 0.475 536 L N 3.529 124.638 121.223 -0.190 0.000 2.280 536 L HA 0.302 4.642 4.340 -0.000 0.000 0.287 536 L C 0.417 177.257 176.870 -0.050 0.000 1.023 536 L CA -0.657 53.976 54.840 -0.344 0.000 0.819 536 L CB 1.268 43.034 42.059 -0.488 0.000 1.212 536 L HN 0.750 nan 8.230 nan 0.000 0.420 537 T N 0.187 114.777 114.554 0.061 0.000 2.940 537 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 537 T C -2.717 172.111 174.700 0.213 0.000 1.045 537 T CA -2.533 59.646 62.100 0.131 0.000 1.018 537 T CB 1.651 70.567 68.868 0.080 0.000 1.151 537 T HN 0.160 nan 8.240 nan 0.000 0.529 538 P HA 0.090 nan 4.420 nan 0.000 0.257 538 P C -0.473 176.867 177.300 0.067 0.000 1.162 538 P CA 0.315 63.481 63.100 0.110 0.000 0.762 538 P CB -0.113 31.632 31.700 0.074 0.000 0.753 539 I N 6.941 127.512 120.570 0.001 0.000 2.471 539 I HA 0.055 4.225 4.170 -0.000 0.000 0.286 539 I C -1.159 174.933 176.117 -0.042 0.000 1.079 539 I CA -1.718 59.530 61.300 -0.088 0.000 1.398 539 I CB 1.123 38.975 38.000 -0.247 0.000 1.403 539 I HN 0.328 nan 8.210 nan 0.000 0.530 540 P HA -0.115 nan 4.420 nan 0.000 0.216 540 P C 1.014 178.299 177.300 -0.026 0.000 1.153 540 P CA 0.781 63.871 63.100 -0.017 0.000 0.844 540 P CB 0.255 31.950 31.700 -0.008 0.000 0.787 541 A N -0.789 122.009 122.820 -0.038 0.000 2.250 541 A HA 0.301 4.621 4.320 -0.000 0.000 0.208 541 A C 1.817 179.373 177.584 -0.046 0.000 1.254 541 A CA 0.977 52.992 52.037 -0.037 0.000 0.858 541 A CB -1.242 17.738 19.000 -0.035 0.000 0.820 541 A HN 0.189 nan 8.150 nan 0.000 0.484 542 A N -0.474 122.317 122.820 -0.048 0.000 2.140 542 A HA 0.182 4.501 4.320 -0.000 0.000 0.209 542 A C 2.231 179.787 177.584 -0.047 0.000 1.181 542 A CA 1.199 53.206 52.037 -0.048 0.000 0.824 542 A CB -0.261 18.717 19.000 -0.036 0.000 0.879 542 A HN 0.721 nan 8.150 nan 0.000 0.480 543 S N 0.377 116.056 115.700 -0.035 0.000 2.441 543 S HA -0.006 4.463 4.470 -0.000 0.000 0.224 543 S C 1.271 175.850 174.600 -0.035 0.000 1.043 543 S CA 0.015 58.196 58.200 -0.032 0.000 0.948 543 S CB -0.443 62.747 63.200 -0.017 0.000 0.810 543 S HN 0.528 nan 8.310 nan 0.000 0.504 544 R N 1.345 121.827 120.500 -0.030 0.000 4.160 544 R HA 0.396 4.736 4.340 -0.000 0.000 0.216 544 R C -1.028 175.251 176.300 -0.034 0.000 2.009 544 R CA -0.003 56.081 56.100 -0.026 0.000 1.664 544 R CB -0.836 29.454 30.300 -0.017 0.000 1.216 544 R HN 0.294 nan 8.270 nan 0.000 0.648 545 L N 0.661 121.852 121.223 -0.054 0.000 2.639 545 L HA 0.282 4.622 4.340 -0.000 0.000 0.264 545 L C -1.497 175.306 176.870 -0.111 0.000 0.948 545 L CA -0.797 53.998 54.840 -0.076 0.000 0.912 545 L CB 2.011 44.012 42.059 -0.096 0.000 1.294 545 L HN 0.185 nan 8.230 nan 0.000 0.412 546 L N 5.780 126.946 121.223 -0.096 0.000 2.255 546 L HA 0.497 4.837 4.340 -0.000 0.000 0.289 546 L C -0.527 176.233 176.870 -0.184 0.000 1.046 546 L CA -0.082 54.694 54.840 -0.107 0.000 0.816 546 L CB 0.594 42.626 42.059 -0.045 0.000 1.197 546 L HN 0.763 nan 8.230 nan 0.000 0.427 547 L N 4.229 125.248 121.223 -0.339 0.000 2.848 547 L HA 0.174 4.514 4.340 -0.000 0.000 0.240 547 L C 1.880 178.569 176.870 -0.301 0.000 1.232 547 L CA -0.030 54.360 54.840 -0.751 0.000 1.031 547 L CB -0.077 41.291 42.059 -1.151 0.000 1.338 547 L HN 0.881 nan 8.230 nan 0.000 0.509 548 S N 1.690 117.349 115.700 -0.068 0.000 2.427 548 S HA -0.266 4.204 4.470 -0.000 0.000 0.231 548 S C 2.164 176.845 174.600 0.135 0.000 1.045 548 S CA 2.341 60.565 58.200 0.040 0.000 1.154 548 S CB -0.454 62.766 63.200 0.032 0.000 1.093 548 S HN 0.603 nan 8.310 nan 0.000 0.422 549 G N -0.081 108.821 108.800 0.169 0.000 2.550 549 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.222 549 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.222 549 G C 0.994 176.101 174.900 0.345 0.000 1.113 549 G CA 1.296 46.489 45.100 0.156 0.000 0.748 549 G HN 0.610 nan 8.290 nan 0.000 0.585 550 W N 0.922 122.170 121.300 -0.087 0.000 2.104 550 W HA -0.033 4.627 4.660 -0.000 0.000 0.318 550 W C 1.144 177.329 176.519 -0.557 0.000 1.192 550 W CA 0.622 57.645 57.345 -0.536 0.000 1.077 550 W CB -1.447 27.299 29.460 -1.191 0.000 1.131 550 W HN 0.082 nan 8.180 nan 0.000 0.483 551 F N 0.351 120.450 119.950 0.248 0.000 2.499 551 F HA 0.335 4.861 4.527 -0.000 0.000 0.353 551 F C 0.638 176.582 175.800 0.241 0.000 1.196 551 F CA -0.465 57.647 58.000 0.186 0.000 1.244 551 F CB -0.134 38.929 39.000 0.105 0.000 1.577 551 F HN -0.298 nan 8.300 nan 0.000 0.614 552 V N 0.444 120.585 119.914 0.380 0.000 3.141 552 V HA 0.553 4.673 4.120 -0.000 0.000 0.225 552 V C 0.703 176.962 176.094 0.274 0.000 1.352 552 V CA 0.410 62.878 62.300 0.281 0.000 1.316 552 V CB 0.429 32.395 31.823 0.238 0.000 1.126 552 V HN 0.553 nan 8.190 nan 0.000 0.493 553 A N -0.543 122.383 122.820 0.178 0.000 2.588 553 A HA 0.832 5.152 4.320 -0.000 0.000 0.290 553 A C -0.413 176.765 177.584 -0.677 0.000 1.136 553 A CA 0.068 52.034 52.037 -0.118 0.000 0.681 553 A CB 1.097 19.914 19.000 -0.305 0.000 1.282 553 A HN 0.493 nan 8.150 nan 0.000 0.421 554 G N -1.604 106.378 108.800 -1.363 0.000 2.400 554 G HA2 0.568 4.528 3.960 -0.000 0.000 0.333 554 G HA3 0.568 4.528 3.960 -0.000 0.000 0.333 554 G C -0.996 173.170 174.900 -1.224 0.000 1.143 554 G CA -0.182 43.895 45.100 -1.704 0.000 0.914 554 G HN 0.636 nan 8.290 nan 0.000 0.480 555 Y N 0.368 120.464 120.300 -0.340 0.000 2.768 555 Y HA 0.298 4.848 4.550 -0.000 0.000 0.249 555 Y C 1.314 177.135 175.900 -0.132 0.000 1.146 555 Y CA -0.667 57.312 58.100 -0.202 0.000 1.171 555 Y CB 0.655 39.014 38.460 -0.168 0.000 1.249 555 Y HN 0.406 nan 8.280 nan 0.000 0.567 556 S N 0.961 116.648 115.700 -0.022 0.000 2.575 556 S HA 0.273 4.743 4.470 -0.000 0.000 0.295 556 S C 1.303 175.923 174.600 0.033 0.000 1.267 556 S CA 1.471 59.684 58.200 0.022 0.000 1.074 556 S CB 0.076 63.293 63.200 0.029 0.000 0.829 556 S HN 0.956 nan 8.310 nan 0.000 0.497 557 G N 3.157 111.979 108.800 0.037 0.000 2.162 557 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 557 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 557 G C 0.749 175.679 174.900 0.051 0.000 0.976 557 G CA 0.324 45.451 45.100 0.045 0.000 0.655 557 G HN 1.062 nan 8.290 nan 0.000 0.533 558 G N -0.135 108.695 108.800 0.051 0.000 3.042 558 G HA2 0.380 4.340 3.960 -0.000 0.000 0.212 558 G HA3 0.380 4.340 3.960 -0.000 0.000 0.212 558 G C 0.531 175.445 174.900 0.023 0.000 1.166 558 G CA 1.128 46.268 45.100 0.068 0.000 0.767 558 G HN 1.247 nan 8.290 nan 0.000 0.546 559 D N -0.316 120.068 120.400 -0.027 0.000 2.689 559 D HA -0.174 4.465 4.640 -0.000 0.000 0.237 559 D C 0.066 176.305 176.300 -0.102 0.000 1.148 559 D CA 0.357 54.311 54.000 -0.077 0.000 0.656 559 D CB -1.238 39.531 40.800 -0.053 0.000 1.050 559 D HN 0.125 nan 8.370 nan 0.000 0.426 560 I N 0.870 121.348 120.570 -0.154 0.000 2.437 560 I HA 0.395 4.564 4.170 -0.000 0.000 0.298 560 I C -0.014 175.921 176.117 -0.303 0.000 0.984 560 I CA -0.732 60.409 61.300 -0.265 0.000 1.214 560 I CB 1.332 39.024 38.000 -0.513 0.000 1.365 560 I HN 0.130 nan 8.210 nan 0.000 0.469 561 Y N 5.069 125.121 120.300 -0.413 0.000 2.322 561 Y HA 0.404 4.954 4.550 -0.000 0.000 0.324 561 Y C -0.693 175.018 175.900 -0.316 0.000 1.027 561 Y CA -0.514 57.354 58.100 -0.386 0.000 1.179 561 Y CB 0.999 39.312 38.460 -0.245 0.000 1.136 561 Y HN 0.567 nan 8.280 nan 0.000 0.449 562 H N 3.643 122.159 119.070 -0.923 0.000 2.473 562 H HA 0.607 5.163 4.556 -0.000 0.000 0.327 562 H C -0.403 174.575 175.328 -0.584 0.000 1.105 562 H CA -0.655 54.978 56.048 -0.691 0.000 1.280 562 H CB 1.642 30.907 29.762 -0.829 0.000 1.450 562 H HN 0.605 nan 8.280 nan 0.000 0.492 563 S N 0.000 115.642 115.700 -0.097 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 563 S CB 0.000 63.270 63.200 0.116 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517