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 2ie3_1_A DATA FIRST_RESID 9 DATA SEQUENCE SLYPIAVLID ELRNEDVQLR LNSIKKLSTI ALALGVERTR SELLPFLTDT DATA SEQUENCE IYDEDEVLLA LAEQLGTFTT LVGGPEYVHC LLPPLESLAT VEETVVRDKA DATA SEQUENCE VESLRAISHE HSPSDLEAHF VPLVKRLAGG DWFTSRTSAC GLFSVCYPRV DATA SEQUENCE SSAVKAELRQ YFRNLCSDDT PMVRRAAASK LGEFAKVLEL DNVKSEIIPM DATA SEQUENCE FSNLASDEQD SVRLLAVEAC VNIAQLLPQE DLEALVMPTL RQAAEDKSWR DATA SEQUENCE VRYMVADKFT ELQKAVGPEI TKTDLVPAFQ NLMKDCEAEV RAAASHKVKE DATA SEQUENCE FCENLSADCR ENVIMSQILP CIKELVSDAN QHVKSALASV IMGLSPILGK DATA SEQUENCE DNTIEHLLPL FLAQLKDECP EVRLNIISNL DCVNEVIGIR QLSQSLLPAI DATA SEQUENCE VELAEDAKWR VRLAIIEYMP LLAGQLGVEF FDEKLNSLCM AWLVDHVYAI DATA SEQUENCE REAATSNLKK LVEKFGKEWA HATIIPKVLA MSGDPNYLHR MTTLFCINVL DATA SEQUENCE SEVCGQDITT KHMLPTVLRM AGDPVANVRF NVAKSLQKIG PILDNSTLQS DATA SEQUENCE EVKPILEKLT QDQDVDVKYF AQEALTVLSL A 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.609 174.600 0.014 0.000 1.055 9 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 9 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 10 L N 0.232 121.434 121.223 -0.035 0.000 2.323 10 L HA 0.567 4.906 4.340 -0.001 0.000 0.265 10 L C -0.171 176.699 176.870 -0.001 0.000 1.012 10 L CA -0.769 54.080 54.840 0.016 0.000 0.820 10 L CB 1.441 43.488 42.059 -0.020 0.000 1.334 10 L HN 0.779 nan 8.230 nan 0.000 0.427 11 Y N 1.472 121.731 120.300 -0.067 0.000 2.519 11 Y HA 0.016 4.566 4.550 -0.001 0.000 0.287 11 Y C -0.598 175.261 175.900 -0.069 0.000 1.128 11 Y CA 0.416 58.477 58.100 -0.064 0.000 1.282 11 Y CB -0.656 37.778 38.460 -0.043 0.000 1.027 11 Y HN 0.476 nan 8.280 nan 0.000 0.551 12 P HA -0.139 nan 4.420 nan 0.000 0.217 12 P C 1.442 178.650 177.300 -0.153 0.000 1.151 12 P CA 1.420 64.499 63.100 -0.035 0.000 0.828 12 P CB 0.217 31.903 31.700 -0.024 0.000 0.788 13 I N 0.209 120.639 120.570 -0.233 0.000 2.584 13 I HA -0.030 4.140 4.170 -0.001 0.000 0.255 13 I C 2.316 178.167 176.117 -0.443 0.000 1.145 13 I CA 0.828 61.912 61.300 -0.359 0.000 1.462 13 I CB -1.850 35.822 38.000 -0.547 0.000 1.102 13 I HN -0.129 nan 8.210 nan 0.000 0.433 14 A N 0.923 123.448 122.820 -0.493 0.000 2.245 14 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 14 A C 2.351 179.631 177.584 -0.507 0.000 1.171 14 A CA 1.219 52.947 52.037 -0.515 0.000 0.688 14 A CB -0.838 17.804 19.000 -0.597 0.000 0.781 14 A HN 0.296 nan 8.150 nan 0.000 0.479 15 V N -1.051 118.582 119.914 -0.468 0.000 2.548 15 V HA -0.162 3.958 4.120 -0.001 0.000 0.249 15 V C 2.263 178.275 176.094 -0.136 0.000 1.055 15 V CA 1.228 63.358 62.300 -0.285 0.000 1.065 15 V CB -0.677 31.035 31.823 -0.186 0.000 0.681 15 V HN 0.467 nan 8.190 nan 0.000 0.462 16 L N -0.467 120.686 121.223 -0.117 0.000 2.141 16 L HA 0.105 4.445 4.340 -0.001 0.000 0.209 16 L C 1.139 178.030 176.870 0.034 0.000 1.094 16 L CA 1.064 55.902 54.840 -0.003 0.000 0.763 16 L CB -0.620 41.484 42.059 0.076 0.000 0.908 16 L HN 0.222 nan 8.230 nan 0.000 0.437 17 I N -0.042 120.524 120.570 -0.006 0.000 2.779 17 I HA -0.005 4.165 4.170 -0.001 0.000 0.285 17 I C 0.164 176.292 176.117 0.018 0.000 1.134 17 I CA -0.112 61.211 61.300 0.039 0.000 1.398 17 I CB 0.508 38.517 38.000 0.015 0.000 1.404 17 I HN 0.010 nan 8.210 nan 0.000 0.587 18 D N 4.182 124.609 120.400 0.044 0.000 2.477 18 D HA 0.168 4.807 4.640 -0.001 0.000 0.239 18 D C 0.209 176.530 176.300 0.036 0.000 1.102 18 D CA -0.361 53.661 54.000 0.037 0.000 0.901 18 D CB 0.821 41.650 40.800 0.048 0.000 1.026 18 D HN 0.352 nan 8.370 nan 0.000 0.515 19 E N 2.066 122.283 120.200 0.029 0.000 2.485 19 E HA 0.132 4.481 4.350 -0.001 0.000 0.194 19 E C 1.167 177.785 176.600 0.030 0.000 1.098 19 E CA 0.303 56.721 56.400 0.030 0.000 0.878 19 E CB 0.215 29.937 29.700 0.036 0.000 0.939 19 E HN 0.597 nan 8.360 nan 0.000 0.503 20 L N -0.794 120.447 121.223 0.030 0.000 2.515 20 L HA 0.199 4.539 4.340 -0.001 0.000 0.223 20 L C 1.675 178.560 176.870 0.025 0.000 1.079 20 L CA 0.091 54.947 54.840 0.027 0.000 0.857 20 L CB 0.138 42.214 42.059 0.027 0.000 1.050 20 L HN 0.043 nan 8.230 nan 0.000 0.476 21 R N 0.426 120.943 120.500 0.029 0.000 0.815 21 R HA 0.130 4.469 4.340 -0.001 0.000 0.063 21 R C 0.609 176.920 176.300 0.018 0.000 0.638 21 R CA 0.456 56.573 56.100 0.028 0.000 2.117 21 R CB 0.011 30.336 30.300 0.041 0.000 0.568 21 R HN 0.104 nan 8.270 nan 0.000 0.775 22 N N -0.607 118.102 118.700 0.014 0.000 1.926 22 N HA 0.005 4.745 4.740 -0.001 0.000 0.221 22 N C -0.686 174.805 175.510 -0.030 0.000 1.410 22 N CA 0.111 53.158 53.050 -0.004 0.000 0.711 22 N CB 1.036 39.522 38.487 -0.001 0.000 1.126 22 N HN 0.250 nan 8.380 nan 0.000 0.546 23 E N 1.401 121.583 120.200 -0.029 0.000 3.876 23 E HA 0.015 4.364 4.350 -0.001 0.000 0.398 23 E C -0.080 176.387 176.600 -0.221 0.000 1.531 23 E CA 0.522 56.851 56.400 -0.118 0.000 2.239 23 E CB 0.227 29.928 29.700 0.001 0.000 1.198 23 E HN 0.135 nan 8.360 nan 0.000 0.720 24 D N 0.056 120.197 120.400 -0.432 0.000 2.517 24 D HA 0.234 4.874 4.640 -0.001 0.000 0.301 24 D C -0.033 176.160 176.300 -0.178 0.000 1.202 24 D CA -0.511 53.282 54.000 -0.346 0.000 0.910 24 D CB 0.606 41.108 40.800 -0.497 0.000 1.021 24 D HN 0.134 nan 8.370 nan 0.000 0.499 25 V N -0.446 119.436 119.914 -0.053 0.000 3.983 25 V HA -0.290 3.830 4.120 -0.001 0.000 0.229 25 V C 0.895 177.048 176.094 0.099 0.000 0.420 25 V CA 0.816 63.139 62.300 0.038 0.000 0.955 25 V CB -2.427 29.420 31.823 0.041 0.000 1.033 25 V HN 0.667 nan 8.190 nan 0.000 1.286 26 Q N 0.032 119.910 119.800 0.130 0.000 2.369 26 Q HA 0.375 4.714 4.340 -0.001 0.000 0.295 26 Q C -0.091 175.995 176.000 0.143 0.000 1.075 26 Q CA 0.330 56.277 55.803 0.239 0.000 0.941 26 Q CB 0.586 29.512 28.738 0.314 0.000 1.260 26 Q HN 0.699 nan 8.270 nan 0.000 0.417 27 L N 2.716 124.009 121.223 0.116 0.000 2.344 27 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 27 L C 0.380 177.288 176.870 0.062 0.000 1.035 27 L CA -0.985 53.910 54.840 0.092 0.000 0.807 27 L CB 1.237 43.345 42.059 0.081 0.000 1.237 27 L HN 0.556 nan 8.230 nan 0.000 0.442 28 R N 1.824 122.356 120.500 0.053 0.000 2.343 28 R HA 0.068 4.407 4.340 -0.001 0.000 0.326 28 R C 0.818 177.135 176.300 0.029 0.000 1.055 28 R CA 0.142 56.263 56.100 0.036 0.000 0.961 28 R CB 0.385 30.701 30.300 0.027 0.000 0.978 28 R HN 0.677 nan 8.270 nan 0.000 0.443 29 L N 5.022 126.258 121.223 0.022 0.000 1.994 29 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 29 L C 1.490 178.369 176.870 0.015 0.000 1.071 29 L CA 1.579 56.427 54.840 0.013 0.000 0.745 29 L CB -0.155 41.907 42.059 0.005 0.000 0.892 29 L HN 0.613 nan 8.230 nan 0.000 0.431 30 N N -0.669 118.041 118.700 0.017 0.000 2.417 30 N HA -0.205 4.534 4.740 -0.001 0.000 0.187 30 N C 1.868 177.391 175.510 0.022 0.000 1.027 30 N CA 1.511 54.572 53.050 0.018 0.000 0.891 30 N CB -0.121 38.377 38.487 0.018 0.000 0.956 30 N HN 0.370 nan 8.380 nan 0.000 0.442 31 S N 0.291 116.005 115.700 0.023 0.000 2.439 31 S HA 0.144 4.614 4.470 -0.001 0.000 0.224 31 S C 1.621 176.242 174.600 0.035 0.000 1.029 31 S CA -0.150 58.066 58.200 0.027 0.000 0.946 31 S CB 0.178 63.391 63.200 0.022 0.000 0.797 31 S HN 0.095 nan 8.310 nan 0.000 0.504 32 I N 1.820 122.408 120.570 0.031 0.000 3.334 32 I HA 0.006 4.176 4.170 -0.001 0.000 0.282 32 I C 1.621 177.756 176.117 0.030 0.000 1.313 32 I CA 1.095 62.411 61.300 0.028 0.000 1.396 32 I CB -0.676 37.329 38.000 0.008 0.000 1.054 32 I HN 0.349 nan 8.210 nan 0.000 0.495 33 K N 0.595 121.016 120.400 0.034 0.000 2.308 33 K HA 0.074 4.394 4.320 -0.001 0.000 0.197 33 K C 0.948 177.581 176.600 0.056 0.000 1.049 33 K CA 0.265 56.577 56.287 0.041 0.000 0.991 33 K CB 0.342 32.860 32.500 0.030 0.000 0.836 33 K HN 0.131 nan 8.250 nan 0.000 0.500 34 K N 1.431 121.862 120.400 0.052 0.000 2.994 34 K HA 0.094 4.414 4.320 -0.001 0.000 0.231 34 K C 0.622 177.268 176.600 0.076 0.000 1.174 34 K CA -0.104 56.215 56.287 0.054 0.000 1.221 34 K CB 0.426 32.949 32.500 0.037 0.000 1.166 34 K HN -0.017 nan 8.250 nan 0.000 0.453 35 L N 0.692 121.982 121.223 0.112 0.000 2.102 35 L HA -0.042 4.297 4.340 -0.001 0.000 0.202 35 L C 1.415 178.448 176.870 0.273 0.000 1.076 35 L CA 1.622 56.564 54.840 0.170 0.000 0.761 35 L CB -0.108 42.037 42.059 0.143 0.000 0.921 35 L HN 0.135 nan 8.230 nan 0.000 0.444 36 S N -1.860 114.010 115.700 0.282 0.000 3.048 36 S HA 0.016 4.485 4.470 -0.001 0.000 0.254 36 S C 1.046 175.652 174.600 0.011 0.000 1.084 36 S CA 0.436 58.709 58.200 0.122 0.000 1.195 36 S CB -1.290 61.939 63.200 0.049 0.000 0.870 36 S HN 0.677 nan 8.310 nan 0.000 0.483 37 T N -2.555 112.028 114.554 0.048 0.000 3.105 37 T HA 0.272 4.621 4.350 -0.001 0.000 0.257 37 T C 1.202 175.912 174.700 0.017 0.000 0.949 37 T CA -0.110 61.999 62.100 0.015 0.000 0.959 37 T CB -0.646 68.236 68.868 0.024 0.000 1.205 37 T HN 0.273 nan 8.240 nan 0.000 0.496 38 I N 3.040 123.637 120.570 0.045 0.000 2.676 38 I HA 0.270 4.440 4.170 -0.001 0.000 0.259 38 I C 2.763 178.901 176.117 0.036 0.000 1.194 38 I CA 0.881 62.201 61.300 0.033 0.000 1.473 38 I CB -0.522 37.501 38.000 0.037 0.000 1.096 38 I HN 0.445 nan 8.210 nan 0.000 0.443 39 A N 0.079 122.930 122.820 0.052 0.000 2.121 39 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 39 A C 2.039 179.590 177.584 -0.055 0.000 1.154 39 A CA 1.147 53.188 52.037 0.007 0.000 0.679 39 A CB -0.360 18.566 19.000 -0.123 0.000 0.795 39 A HN 0.305 nan 8.150 nan 0.000 0.458 40 L N -1.708 119.487 121.223 -0.046 0.000 2.316 40 L HA 0.114 4.454 4.340 -0.001 0.000 0.207 40 L C 2.891 179.743 176.870 -0.030 0.000 1.070 40 L CA 1.398 56.209 54.840 -0.049 0.000 0.820 40 L CB -1.848 40.183 42.059 -0.047 0.000 0.992 40 L HN 0.380 nan 8.230 nan 0.000 0.466 41 A N 1.146 123.957 122.820 -0.016 0.000 1.927 41 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 41 A C 1.204 178.780 177.584 -0.013 0.000 1.185 41 A CA 1.277 53.309 52.037 -0.009 0.000 0.639 41 A CB -0.571 18.427 19.000 -0.002 0.000 0.820 41 A HN 0.341 nan 8.150 nan 0.000 0.451 42 L N -3.675 117.538 121.223 -0.017 0.000 2.330 42 L HA 0.793 5.133 4.340 -0.001 0.000 0.271 42 L C 0.477 177.327 176.870 -0.033 0.000 1.013 42 L CA -0.101 54.726 54.840 -0.022 0.000 0.816 42 L CB 0.209 42.258 42.059 -0.018 0.000 1.287 42 L HN 0.150 nan 8.230 nan 0.000 0.435 43 G N 0.144 108.919 108.800 -0.042 0.000 2.543 43 G HA2 0.350 4.310 3.960 -0.001 0.000 0.290 43 G HA3 0.350 4.310 3.960 -0.001 0.000 0.290 43 G C 0.914 175.768 174.900 -0.077 0.000 1.310 43 G CA 0.037 45.101 45.100 -0.059 0.000 1.025 43 G HN 0.633 nan 8.290 nan 0.000 0.502 44 V N -0.127 119.724 119.914 -0.104 0.000 2.278 44 V HA -0.207 3.913 4.120 -0.001 0.000 0.251 44 V C 2.620 178.620 176.094 -0.156 0.000 1.062 44 V CA 3.085 65.297 62.300 -0.146 0.000 1.038 44 V CB -0.559 31.152 31.823 -0.186 0.000 0.646 44 V HN 0.712 nan 8.190 nan 0.000 0.447 45 E N 0.300 120.416 120.200 -0.139 0.000 2.065 45 E HA -0.263 4.087 4.350 -0.001 0.000 0.201 45 E C 2.330 178.882 176.600 -0.079 0.000 1.016 45 E CA 2.054 58.383 56.400 -0.118 0.000 0.818 45 E CB -0.506 29.146 29.700 -0.079 0.000 0.749 45 E HN 0.642 nan 8.360 nan 0.000 0.453 46 R N 0.122 120.589 120.500 -0.055 0.000 2.275 46 R HA 0.065 4.405 4.340 -0.001 0.000 0.199 46 R C 2.186 178.478 176.300 -0.013 0.000 0.989 46 R CA 0.638 56.721 56.100 -0.030 0.000 1.016 46 R CB -0.015 30.271 30.300 -0.023 0.000 0.918 46 R HN 0.157 nan 8.270 nan 0.000 0.473 47 T N 0.788 115.331 114.554 -0.019 0.000 2.737 47 T HA -0.073 4.277 4.350 -0.001 0.000 0.265 47 T C 1.812 176.531 174.700 0.032 0.000 1.038 47 T CA 1.016 63.132 62.100 0.028 0.000 1.144 47 T CB -0.011 68.872 68.868 0.024 0.000 0.866 47 T HN 0.289 nan 8.240 nan 0.000 0.434 48 R N 1.467 121.956 120.500 -0.020 0.000 2.066 48 R HA -0.046 4.294 4.340 -0.001 0.000 0.232 48 R C 2.964 179.268 176.300 0.005 0.000 1.131 48 R CA 1.759 57.847 56.100 -0.020 0.000 0.955 48 R CB -0.476 29.776 30.300 -0.080 0.000 0.851 48 R HN 0.479 nan 8.270 nan 0.000 0.432 49 S N 0.444 116.143 115.700 -0.002 0.000 2.436 49 S HA -0.054 4.416 4.470 -0.001 0.000 0.228 49 S C 1.477 176.094 174.600 0.028 0.000 1.014 49 S CA 0.794 59.002 58.200 0.013 0.000 0.950 49 S CB 0.061 63.263 63.200 0.002 0.000 0.784 49 S HN 0.431 nan 8.310 nan 0.000 0.504 50 E N 0.246 120.464 120.200 0.031 0.000 2.444 50 E HA 0.259 4.609 4.350 -0.001 0.000 0.203 50 E C 1.774 178.427 176.600 0.088 0.000 0.847 50 E CA -0.069 56.357 56.400 0.044 0.000 1.142 50 E CB -0.499 29.205 29.700 0.008 0.000 1.125 50 E HN 0.268 nan 8.360 nan 0.000 0.521 51 L N 2.315 123.588 121.223 0.083 0.000 1.961 51 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 51 L C 2.223 179.195 176.870 0.169 0.000 1.072 51 L CA 1.705 56.630 54.840 0.140 0.000 0.749 51 L CB -0.643 41.495 42.059 0.131 0.000 0.889 51 L HN 0.121 nan 8.230 nan 0.000 0.432 52 L N -0.507 120.778 121.223 0.102 0.000 1.978 52 L HA -0.231 4.108 4.340 -0.001 0.000 0.218 52 L C 0.113 177.011 176.870 0.047 0.000 1.075 52 L CA 1.958 56.829 54.840 0.052 0.000 0.767 52 L CB -2.281 39.799 42.059 0.036 0.000 0.890 52 L HN 0.257 nan 8.230 nan 0.000 0.434 53 P HA -0.259 nan 4.420 nan 0.000 0.215 53 P C 1.636 178.976 177.300 0.068 0.000 1.163 53 P CA 1.569 64.703 63.100 0.057 0.000 0.894 53 P CB -0.160 31.582 31.700 0.071 0.000 0.791 54 F N 0.002 119.944 119.950 -0.013 0.000 2.154 54 F HA -0.198 4.329 4.527 -0.001 0.000 0.301 54 F C 1.851 177.638 175.800 -0.022 0.000 1.087 54 F CA 1.543 59.534 58.000 -0.015 0.000 1.274 54 F CB -0.976 38.014 39.000 -0.016 0.000 1.009 54 F HN -0.212 nan 8.300 nan 0.000 0.485 55 L N -0.747 120.361 121.223 -0.192 0.000 2.072 55 L HA -0.162 4.178 4.340 -0.001 0.000 0.205 55 L C 2.364 179.097 176.870 -0.229 0.000 1.079 55 L CA 1.430 56.092 54.840 -0.297 0.000 0.752 55 L CB -1.200 40.779 42.059 -0.134 0.000 0.906 55 L HN 0.121 nan 8.230 nan 0.000 0.436 56 T N 0.265 114.739 114.554 -0.134 0.000 2.544 56 T HA -0.202 4.147 4.350 -0.001 0.000 0.264 56 T C 0.834 175.464 174.700 -0.116 0.000 1.096 56 T CA 2.015 64.055 62.100 -0.100 0.000 1.181 56 T CB -0.505 68.329 68.868 -0.056 0.000 0.864 56 T HN 0.539 nan 8.240 nan 0.000 0.415 57 D N 0.718 121.049 120.400 -0.115 0.000 2.063 57 D HA 0.111 4.751 4.640 -0.001 0.000 0.289 57 D C 0.255 176.457 176.300 -0.164 0.000 1.111 57 D CA 0.118 54.055 54.000 -0.104 0.000 1.023 57 D CB -1.094 39.665 40.800 -0.068 0.000 1.152 57 D HN 0.073 nan 8.370 nan 0.000 0.465 58 T N -0.444 114.014 114.554 -0.161 0.000 3.107 58 T HA -0.176 4.173 4.350 -0.001 0.000 0.431 58 T C -0.158 174.431 174.700 -0.185 0.000 0.773 58 T CA 0.421 62.399 62.100 -0.204 0.000 2.334 58 T CB -1.590 67.013 68.868 -0.441 0.000 1.592 58 T HN 0.246 nan 8.240 nan 0.000 0.542 59 I N 2.417 122.937 120.570 -0.083 0.000 2.555 59 I HA 0.219 4.389 4.170 -0.001 0.000 0.275 59 I C -0.143 176.000 176.117 0.044 0.000 1.082 59 I CA -0.908 60.361 61.300 -0.052 0.000 1.167 59 I CB 0.734 38.695 38.000 -0.065 0.000 1.312 59 I HN 0.308 nan 8.210 nan 0.000 0.493 60 Y N 5.953 126.212 120.300 -0.069 0.000 2.477 60 Y HA 0.211 4.760 4.550 -0.001 0.000 0.349 60 Y C 0.538 176.418 175.900 -0.034 0.000 0.977 60 Y CA -1.505 56.570 58.100 -0.041 0.000 1.214 60 Y CB 0.203 38.644 38.460 -0.032 0.000 1.124 60 Y HN 0.439 nan 8.280 nan 0.000 0.521 61 D N 5.303 125.551 120.400 -0.253 0.000 3.797 61 D HA -0.185 4.454 4.640 -0.001 0.000 0.274 61 D C 0.538 176.443 176.300 -0.658 0.000 1.541 61 D CA 0.782 54.569 54.000 -0.356 0.000 1.311 61 D CB 0.138 40.830 40.800 -0.182 0.000 1.237 61 D HN 0.695 nan 8.370 nan 0.000 0.657 62 E N 1.275 121.179 120.200 -0.494 0.000 2.498 62 E HA -0.036 4.314 4.350 -0.001 0.000 0.203 62 E C 0.676 177.148 176.600 -0.214 0.000 1.013 62 E CA -0.150 56.003 56.400 -0.411 0.000 0.927 62 E CB 0.295 29.814 29.700 -0.302 0.000 1.012 62 E HN 0.168 nan 8.360 nan 0.000 0.482 63 D N 0.636 120.928 120.400 -0.180 0.000 4.459 63 D HA -0.397 4.243 4.640 -0.001 0.000 0.291 63 D C 1.257 177.508 176.300 -0.081 0.000 0.894 63 D CA 2.279 56.213 54.000 -0.110 0.000 1.847 63 D CB -0.878 39.868 40.800 -0.091 0.000 1.062 63 D HN 0.515 nan 8.370 nan 0.000 0.481 64 E N 0.611 120.767 120.200 -0.074 0.000 2.209 64 E HA -0.151 4.199 4.350 -0.001 0.000 0.196 64 E C 2.173 178.745 176.600 -0.048 0.000 0.993 64 E CA 1.461 57.831 56.400 -0.049 0.000 0.819 64 E CB 0.085 29.761 29.700 -0.040 0.000 0.745 64 E HN 0.284 nan 8.360 nan 0.000 0.477 65 V N 0.489 120.364 119.914 -0.066 0.000 2.300 65 V HA -0.194 3.925 4.120 -0.001 0.000 0.241 65 V C 2.291 178.347 176.094 -0.065 0.000 1.034 65 V CA 1.250 63.515 62.300 -0.058 0.000 1.021 65 V CB -0.324 31.460 31.823 -0.066 0.000 0.662 65 V HN 0.325 nan 8.190 nan 0.000 0.458 66 L N -0.566 120.607 121.223 -0.083 0.000 2.129 66 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 66 L C 2.400 179.234 176.870 -0.060 0.000 1.087 66 L CA 1.282 56.075 54.840 -0.078 0.000 0.757 66 L CB -0.592 41.416 42.059 -0.085 0.000 0.896 66 L HN 0.340 nan 8.230 nan 0.000 0.434 67 L N -0.147 121.046 121.223 -0.049 0.000 2.023 67 L HA -0.089 4.250 4.340 -0.001 0.000 0.205 67 L C 2.677 179.530 176.870 -0.029 0.000 1.073 67 L CA 1.942 56.762 54.840 -0.033 0.000 0.745 67 L CB -0.640 41.404 42.059 -0.025 0.000 0.900 67 L HN 0.131 nan 8.230 nan 0.000 0.435 68 A N -0.878 121.925 122.820 -0.028 0.000 1.978 68 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 68 A C 2.176 179.738 177.584 -0.036 0.000 1.170 68 A CA 1.857 53.882 52.037 -0.021 0.000 0.636 68 A CB -0.923 18.069 19.000 -0.015 0.000 0.810 68 A HN 0.455 nan 8.150 nan 0.000 0.448 69 L N -0.466 120.723 121.223 -0.056 0.000 2.093 69 L HA 0.045 4.385 4.340 -0.001 0.000 0.208 69 L C 2.567 179.381 176.870 -0.093 0.000 1.085 69 L CA 2.019 56.805 54.840 -0.089 0.000 0.755 69 L CB -0.947 41.053 42.059 -0.099 0.000 0.904 69 L HN 0.319 nan 8.230 nan 0.000 0.435 70 A N -0.798 121.984 122.820 -0.062 0.000 1.929 70 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 70 A C 2.301 179.870 177.584 -0.025 0.000 1.176 70 A CA 1.489 53.499 52.037 -0.045 0.000 0.628 70 A CB -0.570 18.413 19.000 -0.029 0.000 0.816 70 A HN 0.592 nan 8.150 nan 0.000 0.444 71 E N -0.759 119.432 120.200 -0.015 0.000 2.047 71 E HA -0.268 4.081 4.350 -0.001 0.000 0.191 71 E C 2.168 178.778 176.600 0.017 0.000 0.987 71 E CA 1.476 57.882 56.400 0.009 0.000 0.799 71 E CB -0.176 29.531 29.700 0.013 0.000 0.752 71 E HN 0.527 nan 8.360 nan 0.000 0.449 72 Q N 0.685 120.482 119.800 -0.006 0.000 2.061 72 Q HA -0.116 4.224 4.340 -0.001 0.000 0.204 72 Q C 2.153 178.140 176.000 -0.021 0.000 0.984 72 Q CA 1.627 57.436 55.803 0.009 0.000 0.846 72 Q CB -0.357 28.353 28.738 -0.047 0.000 0.902 72 Q HN 0.416 nan 8.270 nan 0.000 0.421 73 L N -0.620 120.509 121.223 -0.156 0.000 2.349 73 L HA -0.134 4.206 4.340 -0.001 0.000 0.220 73 L C 2.005 178.897 176.870 0.036 0.000 1.130 73 L CA 0.913 55.648 54.840 -0.175 0.000 0.791 73 L CB -0.589 41.372 42.059 -0.164 0.000 0.918 73 L HN 0.401 nan 8.230 nan 0.000 0.444 74 G N -1.032 107.806 108.800 0.063 0.000 2.511 74 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.217 74 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.217 74 G C 0.993 175.973 174.900 0.133 0.000 1.133 74 G CA 0.884 46.041 45.100 0.096 0.000 0.792 74 G HN 0.422 nan 8.290 nan 0.000 0.539 75 T N -3.370 111.291 114.554 0.178 0.000 3.350 75 T HA 0.545 4.894 4.350 -0.001 0.000 0.246 75 T C -0.082 174.794 174.700 0.294 0.000 1.284 75 T CA -0.712 61.495 62.100 0.180 0.000 1.329 75 T CB -0.022 68.929 68.868 0.139 0.000 1.033 75 T HN -0.035 nan 8.240 nan 0.000 0.632 76 F N 0.110 120.067 119.950 0.012 0.000 2.915 76 F HA 0.280 4.807 4.527 -0.000 0.000 0.347 76 F C 2.014 177.811 175.800 -0.005 0.000 1.104 76 F CA -0.589 57.412 58.000 0.002 0.000 1.126 76 F CB 0.495 39.496 39.000 0.002 0.000 1.145 76 F HN 0.236 nan 8.300 nan 0.000 0.541 77 T N -0.669 113.956 114.554 0.118 0.000 2.721 77 T HA -0.265 4.085 4.350 -0.001 0.000 0.268 77 T C 2.204 176.904 174.700 -0.000 0.000 1.038 77 T CA 2.440 64.571 62.100 0.052 0.000 1.145 77 T CB -0.256 68.637 68.868 0.041 0.000 0.858 77 T HN 0.345 nan 8.240 nan 0.000 0.459 78 T N 1.277 115.806 114.554 -0.043 0.000 2.814 78 T HA 0.025 4.375 4.350 -0.001 0.000 0.254 78 T C 1.715 176.332 174.700 -0.138 0.000 1.037 78 T CA 0.283 62.337 62.100 -0.076 0.000 1.143 78 T CB -0.288 68.533 68.868 -0.077 0.000 0.866 78 T HN 0.078 nan 8.240 nan 0.000 0.431 79 L N 1.839 122.901 121.223 -0.268 0.000 2.661 79 L HA 0.034 4.373 4.340 -0.001 0.000 0.236 79 L C 1.906 178.647 176.870 -0.216 0.000 1.176 79 L CA 0.982 55.606 54.840 -0.360 0.000 0.836 79 L CB -1.260 40.292 42.059 -0.846 0.000 0.960 79 L HN 0.299 nan 8.230 nan 0.000 0.455 80 V N -1.784 118.057 119.914 -0.121 0.000 3.556 80 V HA 0.406 4.526 4.120 -0.001 0.000 0.287 80 V C 1.481 177.476 176.094 -0.165 0.000 1.422 80 V CA 0.800 63.049 62.300 -0.085 0.000 1.038 80 V CB 0.841 32.671 31.823 0.011 0.000 0.850 80 V HN 0.539 nan 8.190 nan 0.000 0.437 81 G N -0.863 107.874 108.800 -0.105 0.000 2.273 81 G HA2 0.275 4.235 3.960 -0.001 0.000 0.162 81 G HA3 0.275 4.235 3.960 -0.001 0.000 0.162 81 G C 0.633 175.603 174.900 0.115 0.000 1.006 81 G CA -0.027 45.033 45.100 -0.067 0.000 0.704 81 G HN 1.550 nan 8.290 nan 0.000 0.487 82 G N -0.324 108.513 108.800 0.062 0.000 2.728 82 G HA2 0.161 4.121 3.960 -0.001 0.000 0.294 82 G HA3 0.161 4.121 3.960 -0.001 0.000 0.294 82 G C -0.950 173.978 174.900 0.048 0.000 1.342 82 G CA 0.218 45.348 45.100 0.050 0.000 0.866 82 G HN 0.525 nan 8.290 nan 0.000 0.534 83 P HA -0.118 nan 4.420 nan 0.000 0.218 83 P C 1.400 178.645 177.300 -0.091 0.000 1.152 83 P CA 2.088 65.163 63.100 -0.042 0.000 0.857 83 P CB -0.075 31.612 31.700 -0.022 0.000 0.787 84 E N -2.841 117.298 120.200 -0.101 0.000 2.472 84 E HA -0.115 4.235 4.350 -0.001 0.000 0.200 84 E C 0.587 176.834 176.600 -0.587 0.000 1.046 84 E CA 0.910 57.127 56.400 -0.305 0.000 0.871 84 E CB -0.605 28.858 29.700 -0.395 0.000 0.806 84 E HN 0.530 nan 8.360 nan 0.000 0.533 85 Y N -1.735 118.447 120.300 -0.196 0.000 2.672 85 Y HA 0.105 4.654 4.550 -0.001 0.000 0.252 85 Y C 1.619 177.188 175.900 -0.552 0.000 1.132 85 Y CA -0.356 57.478 58.100 -0.442 0.000 1.228 85 Y CB 0.408 38.711 38.460 -0.261 0.000 1.310 85 Y HN -0.047 nan 8.280 nan 0.000 0.549 86 V N -0.932 118.799 119.914 -0.304 0.000 2.317 86 V HA -0.395 3.724 4.120 -0.001 0.000 0.251 86 V C 2.401 178.308 176.094 -0.312 0.000 1.065 86 V CA 2.574 64.695 62.300 -0.297 0.000 1.049 86 V CB -1.081 30.475 31.823 -0.444 0.000 0.651 86 V HN 0.616 nan 8.190 nan 0.000 0.450 87 H N -0.494 118.379 119.070 -0.329 0.000 2.541 87 H HA -0.130 4.426 4.556 -0.001 0.000 0.289 87 H C 2.158 177.445 175.328 -0.069 0.000 1.054 87 H CA 1.578 57.522 56.048 -0.173 0.000 1.250 87 H CB -1.223 28.232 29.762 -0.512 0.000 1.369 87 H HN 0.547 nan 8.280 nan 0.000 0.578 88 C N 0.970 120.076 119.300 -0.323 0.000 2.432 88 C HA 0.022 4.482 4.460 -0.001 0.000 0.282 88 C C 2.886 177.865 174.990 -0.018 0.000 1.388 88 C CA 0.228 59.176 59.018 -0.117 0.000 1.777 88 C CB -1.053 26.622 27.740 -0.107 0.000 1.882 88 C HN 0.490 nan 8.230 nan 0.000 0.520 89 L N -0.097 121.125 121.223 -0.002 0.000 2.418 89 L HA 0.017 4.357 4.340 -0.001 0.000 0.218 89 L C 2.298 179.202 176.870 0.057 0.000 1.125 89 L CA 0.551 55.413 54.840 0.036 0.000 0.835 89 L CB -0.388 41.710 42.059 0.065 0.000 0.953 89 L HN 0.371 nan 8.230 nan 0.000 0.454 90 L N 0.080 121.363 121.223 0.099 0.000 1.994 90 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 90 L C -0.094 176.792 176.870 0.027 0.000 1.071 90 L CA 1.529 56.426 54.840 0.095 0.000 0.745 90 L CB -2.062 40.086 42.059 0.147 0.000 0.892 90 L HN 0.193 nan 8.230 nan 0.000 0.431 91 P HA -0.187 nan 4.420 nan 0.000 0.217 91 P C -1.375 175.907 177.300 -0.030 0.000 1.162 91 P CA 1.976 65.074 63.100 -0.004 0.000 0.901 91 P CB -1.207 30.499 31.700 0.010 0.000 0.793 92 P HA -0.095 nan 4.420 nan 0.000 0.217 92 P C 1.729 178.994 177.300 -0.058 0.000 1.151 92 P CA 1.352 64.416 63.100 -0.059 0.000 0.828 92 P CB -0.343 31.312 31.700 -0.075 0.000 0.788 93 L N 0.009 121.208 121.223 -0.040 0.000 2.027 93 L HA -0.136 4.204 4.340 -0.001 0.000 0.206 93 L C 2.992 179.834 176.870 -0.046 0.000 1.074 93 L CA 1.645 56.465 54.840 -0.033 0.000 0.745 93 L CB -0.982 41.078 42.059 0.001 0.000 0.898 93 L HN 0.011 nan 8.230 nan 0.000 0.433 94 E N -0.398 119.768 120.200 -0.056 0.000 2.097 94 E HA -0.293 4.057 4.350 -0.001 0.000 0.196 94 E C 2.246 178.799 176.600 -0.078 0.000 1.000 94 E CA 1.706 58.057 56.400 -0.082 0.000 0.804 94 E CB -0.042 29.603 29.700 -0.091 0.000 0.740 94 E HN 0.340 nan 8.360 nan 0.000 0.454 95 S N 0.040 115.697 115.700 -0.072 0.000 2.378 95 S HA -0.198 4.271 4.470 -0.001 0.000 0.221 95 S C 2.018 176.581 174.600 -0.061 0.000 1.037 95 S CA 1.681 59.837 58.200 -0.073 0.000 1.069 95 S CB -0.552 62.605 63.200 -0.072 0.000 1.006 95 S HN 0.403 nan 8.310 nan 0.000 0.423 96 L N 1.370 122.558 121.223 -0.058 0.000 2.137 96 L HA -0.204 4.136 4.340 -0.001 0.000 0.213 96 L C 2.846 179.692 176.870 -0.040 0.000 1.085 96 L CA 1.288 56.099 54.840 -0.049 0.000 0.760 96 L CB -0.695 41.333 42.059 -0.051 0.000 0.893 96 L HN 0.495 nan 8.230 nan 0.000 0.434 97 A N -0.727 122.068 122.820 -0.042 0.000 1.940 97 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 97 A C 2.002 179.566 177.584 -0.034 0.000 1.176 97 A CA 2.160 54.176 52.037 -0.035 0.000 0.631 97 A CB -0.720 18.251 19.000 -0.048 0.000 0.814 97 A HN 0.415 nan 8.150 nan 0.000 0.446 98 T N 0.024 114.554 114.554 -0.040 0.000 3.312 98 T HA 0.372 4.721 4.350 -0.001 0.000 0.251 98 T C 0.600 175.299 174.700 -0.001 0.000 1.012 98 T CA -0.066 62.017 62.100 -0.027 0.000 0.925 98 T CB -0.394 68.448 68.868 -0.042 0.000 1.049 98 T HN 0.107 nan 8.240 nan 0.000 0.583 99 V N 0.908 120.812 119.914 -0.018 0.000 3.906 99 V HA 0.189 4.308 4.120 -0.001 0.000 0.265 99 V C 1.605 177.678 176.094 -0.034 0.000 0.910 99 V CA -0.175 62.118 62.300 -0.012 0.000 0.858 99 V CB 0.660 32.467 31.823 -0.027 0.000 1.199 99 V HN 0.224 nan 8.190 nan 0.000 0.390 100 E N -0.083 120.094 120.200 -0.038 0.000 2.098 100 E HA 0.090 4.439 4.350 -0.001 0.000 0.196 100 E C 0.602 177.180 176.600 -0.036 0.000 0.955 100 E CA -0.129 56.239 56.400 -0.054 0.000 0.936 100 E CB -0.436 29.236 29.700 -0.047 0.000 1.054 100 E HN 0.655 nan 8.360 nan 0.000 0.482 101 E N 2.199 122.382 120.200 -0.029 0.000 3.072 101 E HA -0.116 4.234 4.350 -0.001 0.000 0.241 101 E C 0.788 177.383 176.600 -0.009 0.000 0.962 101 E CA 0.601 56.990 56.400 -0.018 0.000 0.955 101 E CB 0.246 29.930 29.700 -0.026 0.000 0.899 101 E HN 0.278 nan 8.360 nan 0.000 0.547 102 T N 1.280 115.838 114.554 0.007 0.000 2.665 102 T HA -0.261 4.089 4.350 -0.001 0.000 0.268 102 T C 1.891 176.599 174.700 0.014 0.000 1.035 102 T CA 1.200 63.312 62.100 0.019 0.000 1.151 102 T CB -0.672 68.219 68.868 0.039 0.000 0.862 102 T HN 0.276 nan 8.240 nan 0.000 0.438 103 V N 1.320 121.240 119.914 0.011 0.000 2.252 103 V HA -0.240 3.880 4.120 -0.001 0.000 0.255 103 V C 2.900 178.996 176.094 0.003 0.000 1.071 103 V CA 2.169 64.474 62.300 0.009 0.000 1.050 103 V CB -0.862 30.963 31.823 0.003 0.000 0.654 103 V HN 0.472 nan 8.190 nan 0.000 0.448 104 V N -0.353 119.556 119.914 -0.007 0.000 2.270 104 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 104 V C 2.551 178.640 176.094 -0.008 0.000 1.043 104 V CA 2.225 64.516 62.300 -0.015 0.000 1.014 104 V CB -0.771 31.035 31.823 -0.029 0.000 0.645 104 V HN 0.501 nan 8.190 nan 0.000 0.447 105 R N 0.050 120.546 120.500 -0.006 0.000 2.117 105 R HA -0.202 4.138 4.340 -0.001 0.000 0.243 105 R C 1.963 178.271 176.300 0.013 0.000 1.143 105 R CA 1.810 57.909 56.100 -0.001 0.000 0.968 105 R CB -0.711 29.591 30.300 0.002 0.000 0.863 105 R HN 0.568 nan 8.270 nan 0.000 0.444 106 D N 0.724 121.136 120.400 0.020 0.000 2.078 106 D HA -0.131 4.509 4.640 -0.001 0.000 0.193 106 D C 1.859 178.177 176.300 0.029 0.000 0.990 106 D CA 0.988 55.007 54.000 0.031 0.000 0.827 106 D CB -0.144 40.675 40.800 0.033 0.000 0.975 106 D HN -0.051 nan 8.370 nan 0.000 0.451 107 K N 0.914 121.326 120.400 0.020 0.000 2.113 107 K HA -0.092 4.228 4.320 -0.001 0.000 0.208 107 K C 1.988 178.600 176.600 0.020 0.000 1.047 107 K CA 1.028 57.327 56.287 0.019 0.000 0.928 107 K CB -0.595 31.910 32.500 0.008 0.000 0.716 107 K HN 0.094 nan 8.250 nan 0.000 0.446 108 A N 0.608 123.434 122.820 0.010 0.000 1.883 108 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 108 A C 2.515 180.114 177.584 0.026 0.000 1.186 108 A CA 1.990 54.031 52.037 0.007 0.000 0.624 108 A CB -0.738 18.256 19.000 -0.010 0.000 0.822 108 A HN 0.088 nan 8.150 nan 0.000 0.444 109 V N -0.032 119.901 119.914 0.031 0.000 2.295 109 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 109 V C 2.540 178.676 176.094 0.071 0.000 1.049 109 V CA 2.321 64.651 62.300 0.050 0.000 1.024 109 V CB -0.762 31.093 31.823 0.053 0.000 0.648 109 V HN 0.783 nan 8.190 nan 0.000 0.447 110 E N 0.025 120.264 120.200 0.064 0.000 2.097 110 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 110 E C 2.328 178.976 176.600 0.081 0.000 1.000 110 E CA 1.882 58.325 56.400 0.072 0.000 0.804 110 E CB -0.112 29.624 29.700 0.059 0.000 0.740 110 E HN 0.583 nan 8.360 nan 0.000 0.454 111 S N 0.348 116.091 115.700 0.072 0.000 2.355 111 S HA -0.082 4.387 4.470 -0.001 0.000 0.222 111 S C 1.957 176.621 174.600 0.108 0.000 1.031 111 S CA 0.756 59.005 58.200 0.080 0.000 0.993 111 S CB -0.203 63.032 63.200 0.059 0.000 0.859 111 S HN 0.262 nan 8.310 nan 0.000 0.453 112 L N 1.016 122.311 121.223 0.121 0.000 2.079 112 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 112 L C 2.673 179.669 176.870 0.209 0.000 1.081 112 L CA 1.281 56.246 54.840 0.209 0.000 0.752 112 L CB -0.326 41.833 42.059 0.167 0.000 0.896 112 L HN 0.242 nan 8.230 nan 0.000 0.433 113 R N -0.675 119.908 120.500 0.137 0.000 2.075 113 R HA -0.130 4.210 4.340 -0.001 0.000 0.232 113 R C 2.384 178.685 176.300 0.002 0.000 1.126 113 R CA 1.220 57.359 56.100 0.065 0.000 0.963 113 R CB -0.456 29.908 30.300 0.106 0.000 0.858 113 R HN 0.370 nan 8.270 nan 0.000 0.435 114 A N 2.087 124.963 122.820 0.092 0.000 1.835 114 A HA -0.161 4.158 4.320 -0.001 0.000 0.215 114 A C 2.206 179.863 177.584 0.121 0.000 1.199 114 A CA 1.670 53.797 52.037 0.150 0.000 0.615 114 A CB -0.769 18.306 19.000 0.125 0.000 0.838 114 A HN 0.472 nan 8.150 nan 0.000 0.444 115 I N -0.718 119.909 120.570 0.095 0.000 2.916 115 I HA -0.139 4.031 4.170 -0.001 0.000 0.267 115 I C 2.176 178.338 176.117 0.075 0.000 1.263 115 I CA 1.704 63.077 61.300 0.121 0.000 1.471 115 I CB -0.559 37.550 38.000 0.181 0.000 1.089 115 I HN 0.379 nan 8.210 nan 0.000 0.468 116 S N 1.854 117.394 115.700 -0.268 0.000 2.365 116 S HA -0.297 4.173 4.470 -0.001 0.000 0.225 116 S C 1.944 176.237 174.600 -0.511 0.000 1.039 116 S CA 1.688 59.392 58.200 -0.827 0.000 1.033 116 S CB -1.145 61.364 63.200 -1.150 0.000 0.887 116 S HN 0.665 nan 8.310 nan 0.000 0.447 117 H N 1.265 120.268 119.070 -0.112 0.000 2.561 117 H HA 0.171 4.727 4.556 -0.001 0.000 0.278 117 H C 1.797 177.125 175.328 -0.000 0.000 1.014 117 H CA 1.176 57.192 56.048 -0.052 0.000 1.211 117 H CB -0.092 29.651 29.762 -0.031 0.000 1.365 117 H HN 0.604 nan 8.280 nan 0.000 0.594 118 E N 0.375 120.643 120.200 0.113 0.000 2.140 118 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 118 E C 0.565 177.197 176.600 0.054 0.000 0.973 118 E CA 0.065 56.510 56.400 0.076 0.000 0.829 118 E CB 0.079 29.809 29.700 0.050 0.000 0.781 118 E HN 0.603 nan 8.360 nan 0.000 0.466 119 H N 1.721 120.753 119.070 -0.063 0.000 2.972 119 H HA 0.047 4.602 4.556 -0.001 0.000 0.343 119 H C 0.827 176.133 175.328 -0.036 0.000 1.054 119 H CA 0.305 56.328 56.048 -0.041 0.000 1.412 119 H CB 0.663 30.375 29.762 -0.083 0.000 1.385 119 H HN 0.041 nan 8.280 nan 0.000 0.600 120 S N 3.768 119.524 115.700 0.094 0.000 2.603 120 S HA 0.062 4.531 4.470 -0.001 0.000 0.268 120 S C -1.472 173.158 174.600 0.051 0.000 1.317 120 S CA -1.342 56.888 58.200 0.049 0.000 1.012 120 S CB 1.713 64.929 63.200 0.027 0.000 0.926 120 S HN 0.470 nan 8.310 nan 0.000 0.539 121 P HA -0.175 nan 4.420 nan 0.000 0.215 121 P C 1.698 179.009 177.300 0.017 0.000 1.157 121 P CA 1.682 64.786 63.100 0.008 0.000 0.874 121 P CB -0.269 31.429 31.700 -0.004 0.000 0.790 122 S N -0.552 115.158 115.700 0.018 0.000 2.383 122 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 122 S C 1.776 176.401 174.600 0.042 0.000 1.030 122 S CA 1.646 59.855 58.200 0.015 0.000 1.002 122 S CB -1.015 62.188 63.200 0.006 0.000 0.829 122 S HN 0.063 nan 8.310 nan 0.000 0.467 123 D N 0.640 121.094 120.400 0.089 0.000 2.277 123 D HA 0.046 4.685 4.640 -0.001 0.000 0.208 123 D C 1.928 178.380 176.300 0.254 0.000 0.962 123 D CA 0.388 54.505 54.000 0.196 0.000 0.865 123 D CB -0.112 40.815 40.800 0.212 0.000 0.939 123 D HN 0.389 nan 8.370 nan 0.000 0.510 124 L N 0.911 122.224 121.223 0.150 0.000 1.994 124 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 124 L C 2.390 179.313 176.870 0.089 0.000 1.071 124 L CA 1.281 56.177 54.840 0.093 0.000 0.745 124 L CB -0.243 41.806 42.059 -0.016 0.000 0.892 124 L HN -0.020 nan 8.230 nan 0.000 0.431 125 E N -0.132 120.089 120.200 0.034 0.000 2.058 125 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 125 E C 2.194 178.771 176.600 -0.037 0.000 0.997 125 E CA 1.280 57.677 56.400 -0.005 0.000 0.801 125 E CB -0.206 29.484 29.700 -0.017 0.000 0.746 125 E HN 0.513 nan 8.360 nan 0.000 0.450 126 A N 0.419 123.210 122.820 -0.048 0.000 1.933 126 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 126 A C 1.353 178.709 177.584 -0.380 0.000 1.175 126 A CA 1.851 53.767 52.037 -0.202 0.000 0.628 126 A CB -0.333 18.547 19.000 -0.201 0.000 0.814 126 A HN 0.267 nan 8.150 nan 0.000 0.444 127 H N -4.726 114.355 119.070 0.018 0.000 2.573 127 H HA 0.274 4.830 4.556 -0.001 0.000 0.236 127 H C 1.449 176.807 175.328 0.050 0.000 0.907 127 H CA 0.267 56.341 56.048 0.043 0.000 1.058 127 H CB -0.088 29.740 29.762 0.111 0.000 1.417 127 H HN 0.342 nan 8.280 nan 0.000 0.425 128 F N 1.439 121.405 119.950 0.026 0.000 2.039 128 F HA -0.191 4.336 4.527 -0.000 0.000 0.294 128 F C 2.145 177.840 175.800 -0.175 0.000 1.130 128 F CA 1.333 59.240 58.000 -0.155 0.000 1.189 128 F CB -0.565 38.218 39.000 -0.361 0.000 0.983 128 F HN -0.111 nan 8.300 nan 0.000 0.471 129 V N 1.213 121.118 119.914 -0.016 0.000 2.278 129 V HA -0.314 3.806 4.120 -0.001 0.000 0.251 129 V C -0.427 175.502 176.094 -0.274 0.000 1.062 129 V CA 2.651 64.852 62.300 -0.166 0.000 1.038 129 V CB -1.953 29.816 31.823 -0.090 0.000 0.646 129 V HN 0.238 nan 8.190 nan 0.000 0.447 130 P HA -0.172 nan 4.420 nan 0.000 0.216 130 P C 1.854 179.019 177.300 -0.226 0.000 1.150 130 P CA 1.354 64.341 63.100 -0.189 0.000 0.843 130 P CB -0.181 31.440 31.700 -0.131 0.000 0.787 131 L N -1.232 119.829 121.223 -0.270 0.000 2.093 131 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 131 L C 1.906 178.557 176.870 -0.364 0.000 1.085 131 L CA 1.907 56.568 54.840 -0.298 0.000 0.755 131 L CB -1.625 40.221 42.059 -0.353 0.000 0.904 131 L HN -0.163 nan 8.230 nan 0.000 0.435 132 V N 0.460 120.080 119.914 -0.489 0.000 2.295 132 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 132 V C 2.726 178.577 176.094 -0.404 0.000 1.049 132 V CA 2.233 64.219 62.300 -0.523 0.000 1.024 132 V CB -0.818 30.588 31.823 -0.695 0.000 0.648 132 V HN 0.490 nan 8.190 nan 0.000 0.447 133 K N 0.018 120.160 120.400 -0.429 0.000 2.002 133 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 133 K C 2.351 178.877 176.600 -0.123 0.000 1.048 133 K CA 1.580 57.629 56.287 -0.396 0.000 0.930 133 K CB -0.326 31.898 32.500 -0.460 0.000 0.714 133 K HN 0.374 nan 8.250 nan 0.000 0.438 134 R N 0.769 121.190 120.500 -0.132 0.000 2.139 134 R HA -0.138 4.201 4.340 -0.001 0.000 0.243 134 R C 2.331 178.586 176.300 -0.074 0.000 1.145 134 R CA 1.190 57.240 56.100 -0.084 0.000 0.976 134 R CB -0.423 29.813 30.300 -0.107 0.000 0.866 134 R HN 0.220 nan 8.270 nan 0.000 0.449 135 L N -0.267 120.894 121.223 -0.103 0.000 2.131 135 L HA -0.041 4.299 4.340 -0.001 0.000 0.206 135 L C 2.598 179.469 176.870 0.003 0.000 1.087 135 L CA 0.725 55.523 54.840 -0.070 0.000 0.767 135 L CB -0.395 41.599 42.059 -0.108 0.000 0.917 135 L HN 0.221 nan 8.230 nan 0.000 0.441 136 A N 0.153 122.991 122.820 0.029 0.000 1.841 136 A HA -0.115 4.205 4.320 -0.001 0.000 0.214 136 A C 2.069 179.739 177.584 0.143 0.000 1.195 136 A CA 1.616 53.739 52.037 0.145 0.000 0.611 136 A CB -1.258 17.916 19.000 0.289 0.000 0.835 136 A HN 0.401 nan 8.150 nan 0.000 0.443 137 G N -0.073 108.823 108.800 0.160 0.000 3.155 137 G HA2 0.396 4.356 3.960 -0.001 0.000 0.213 137 G HA3 0.396 4.356 3.960 -0.001 0.000 0.213 137 G C 0.699 175.637 174.900 0.062 0.000 1.196 137 G CA 0.430 45.607 45.100 0.127 0.000 0.846 137 G HN 0.733 nan 8.290 nan 0.000 0.516 138 G N -0.485 108.342 108.800 0.044 0.000 2.636 138 G HA2 0.249 4.209 3.960 -0.001 0.000 0.246 138 G HA3 0.249 4.209 3.960 -0.001 0.000 0.246 138 G C 0.323 175.253 174.900 0.050 0.000 1.216 138 G CA -0.284 44.821 45.100 0.009 0.000 0.854 138 G HN 0.119 nan 8.290 nan 0.000 0.572 139 D N -0.308 120.113 120.400 0.035 0.000 2.128 139 D HA -0.023 4.616 4.640 -0.001 0.000 0.213 139 D C 0.792 177.268 176.300 0.294 0.000 0.983 139 D CA 0.505 54.588 54.000 0.139 0.000 0.889 139 D CB -0.177 40.703 40.800 0.134 0.000 1.018 139 D HN 0.349 nan 8.370 nan 0.000 0.448 140 W N 1.256 122.559 121.300 0.006 0.000 2.388 140 W HA -0.120 4.540 4.660 -0.000 0.000 0.349 140 W C 1.564 178.102 176.519 0.032 0.000 1.254 140 W CA -0.514 56.827 57.345 -0.008 0.000 1.380 140 W CB -0.615 28.794 29.460 -0.084 0.000 1.224 140 W HN 0.100 nan 8.180 nan 0.000 0.613 141 F N -0.224 119.843 119.950 0.196 0.000 2.317 141 F HA -0.040 4.486 4.527 -0.001 0.000 0.290 141 F C 2.072 177.925 175.800 0.088 0.000 1.075 141 F CA 1.416 59.477 58.000 0.101 0.000 1.380 141 F CB -1.563 37.462 39.000 0.042 0.000 1.093 141 F HN 0.229 nan 8.300 nan 0.000 0.524 142 T N -1.492 112.640 114.554 -0.704 0.000 2.721 142 T HA -0.311 4.039 4.350 -0.001 0.000 0.268 142 T C 2.186 176.864 174.700 -0.038 0.000 1.038 142 T CA 1.761 63.638 62.100 -0.372 0.000 1.145 142 T CB -1.320 67.299 68.868 -0.415 0.000 0.858 142 T HN 0.467 nan 8.240 nan 0.000 0.459 143 S N 1.281 116.979 115.700 -0.004 0.000 2.353 143 S HA -0.186 4.284 4.470 -0.001 0.000 0.222 143 S C 2.335 176.966 174.600 0.053 0.000 1.035 143 S CA 1.481 59.692 58.200 0.017 0.000 1.025 143 S CB -0.369 62.839 63.200 0.013 0.000 0.902 143 S HN 0.556 nan 8.310 nan 0.000 0.440 144 R N -0.138 120.427 120.500 0.109 0.000 2.073 144 R HA -0.020 4.320 4.340 -0.001 0.000 0.234 144 R C 2.679 179.049 176.300 0.116 0.000 1.134 144 R CA 1.840 58.008 56.100 0.114 0.000 0.952 144 R CB -1.037 29.342 30.300 0.130 0.000 0.850 144 R HN 0.397 nan 8.270 nan 0.000 0.433 145 T N -0.226 114.434 114.554 0.177 0.000 2.699 145 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 145 T C 1.708 176.474 174.700 0.110 0.000 1.036 145 T CA 1.940 64.138 62.100 0.163 0.000 1.147 145 T CB -0.138 68.894 68.868 0.273 0.000 0.862 145 T HN 0.237 nan 8.240 nan 0.000 0.446 146 S N 0.412 116.165 115.700 0.087 0.000 2.489 146 S HA 0.228 4.697 4.470 -0.001 0.000 0.228 146 S C 2.331 176.964 174.600 0.055 0.000 0.995 146 S CA 0.573 58.809 58.200 0.060 0.000 0.934 146 S CB -0.156 63.059 63.200 0.025 0.000 0.771 146 S HN 0.574 nan 8.310 nan 0.000 0.522 147 A N 0.698 123.557 122.820 0.066 0.000 1.930 147 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 147 A C 2.265 179.992 177.584 0.239 0.000 1.175 147 A CA 1.197 53.277 52.037 0.072 0.000 0.627 147 A CB -1.211 17.849 19.000 0.099 0.000 0.815 147 A HN 0.615 nan 8.150 nan 0.000 0.443 148 C N -0.751 118.695 119.300 0.244 0.000 2.403 148 C HA -0.062 4.397 4.460 -0.001 0.000 0.279 148 C C 2.679 177.896 174.990 0.379 0.000 1.269 148 C CA 0.661 59.856 59.018 0.295 0.000 1.774 148 C CB -1.642 26.142 27.740 0.075 0.000 1.993 148 C HN 0.701 nan 8.230 nan 0.000 0.496 149 G N -0.415 108.524 108.800 0.232 0.000 2.848 149 G HA2 0.147 4.106 3.960 -0.001 0.000 0.208 149 G HA3 0.147 4.106 3.960 -0.001 0.000 0.208 149 G C 1.106 176.115 174.900 0.181 0.000 1.152 149 G CA 0.169 45.386 45.100 0.195 0.000 0.789 149 G HN 0.590 nan 8.290 nan 0.000 0.531 150 L N -1.051 120.266 121.223 0.156 0.000 2.808 150 L HA 0.397 4.737 4.340 -0.001 0.000 0.246 150 L C 1.567 178.440 176.870 0.005 0.000 1.153 150 L CA -0.352 54.525 54.840 0.062 0.000 0.956 150 L CB 0.105 42.102 42.059 -0.104 0.000 1.270 150 L HN 0.021 nan 8.230 nan 0.000 0.528 151 F N 0.655 120.649 119.950 0.073 0.000 2.149 151 F HA -0.153 4.373 4.527 -0.001 0.000 0.294 151 F C 2.882 178.768 175.800 0.144 0.000 1.095 151 F CA 1.575 59.582 58.000 0.011 0.000 1.276 151 F CB -0.509 38.296 39.000 -0.325 0.000 1.023 151 F HN 0.117 nan 8.300 nan 0.000 0.480 152 S N 0.515 116.427 115.700 0.355 0.000 2.387 152 S HA -0.212 4.258 4.470 -0.001 0.000 0.230 152 S C 2.099 176.861 174.600 0.270 0.000 1.035 152 S CA 1.606 60.015 58.200 0.349 0.000 1.014 152 S CB -1.589 61.761 63.200 0.251 0.000 0.836 152 S HN 0.290 nan 8.310 nan 0.000 0.466 153 V N 1.461 121.483 119.914 0.180 0.000 2.307 153 V HA -0.138 3.981 4.120 -0.001 0.000 0.245 153 V C 2.794 178.891 176.094 0.004 0.000 1.045 153 V CA 1.211 63.548 62.300 0.061 0.000 1.024 153 V CB -2.139 29.617 31.823 -0.112 0.000 0.651 153 V HN 0.836 nan 8.190 nan 0.000 0.449 154 C N -1.769 117.555 119.300 0.041 0.000 2.495 154 C HA 0.127 4.587 4.460 -0.001 0.000 0.275 154 C C 2.550 177.604 174.990 0.106 0.000 1.392 154 C CA 0.173 59.198 59.018 0.012 0.000 1.766 154 C CB -1.870 25.921 27.740 0.085 0.000 1.933 154 C HN 0.591 nan 8.230 nan 0.000 0.519 155 Y N 3.968 124.347 120.300 0.132 0.000 2.069 155 Y HA -0.105 4.444 4.550 -0.001 0.000 0.278 155 Y C -0.360 175.602 175.900 0.104 0.000 1.175 155 Y CA 2.517 60.726 58.100 0.181 0.000 1.134 155 Y CB -1.603 37.050 38.460 0.322 0.000 0.965 155 Y HN 0.217 nan 8.280 nan 0.000 0.498 156 P HA -0.140 nan 4.420 nan 0.000 0.215 156 P C 1.257 178.514 177.300 -0.072 0.000 1.153 156 P CA 2.230 65.325 63.100 -0.008 0.000 0.853 156 P CB -0.017 31.741 31.700 0.096 0.000 0.788 157 R N -0.476 119.998 120.500 -0.043 0.000 2.193 157 R HA 0.029 4.369 4.340 -0.001 0.000 0.213 157 R C 0.768 177.030 176.300 -0.064 0.000 1.055 157 R CA 0.243 56.316 56.100 -0.044 0.000 0.995 157 R CB -0.752 29.532 30.300 -0.026 0.000 0.893 157 R HN 0.168 nan 8.270 nan 0.000 0.459 158 V N -0.670 119.191 119.914 -0.089 0.000 3.264 158 V HA 0.234 4.353 4.120 -0.001 0.000 0.304 158 V C 0.522 176.554 176.094 -0.103 0.000 1.086 158 V CA -1.065 61.186 62.300 -0.081 0.000 1.090 158 V CB 1.389 33.172 31.823 -0.066 0.000 1.112 158 V HN 0.235 nan 8.190 nan 0.000 0.472 159 S N 1.406 117.065 115.700 -0.068 0.000 2.584 159 S HA 0.132 4.601 4.470 -0.001 0.000 0.270 159 S C 1.212 175.772 174.600 -0.067 0.000 1.346 159 S CA 0.170 58.335 58.200 -0.057 0.000 1.018 159 S CB 0.769 63.951 63.200 -0.030 0.000 0.899 159 S HN 1.018 nan 8.310 nan 0.000 0.542 160 S N 2.185 117.855 115.700 -0.050 0.000 2.374 160 S HA -0.181 4.289 4.470 -0.001 0.000 0.227 160 S C 2.204 176.803 174.600 -0.000 0.000 1.037 160 S CA 1.325 59.505 58.200 -0.033 0.000 1.024 160 S CB -1.209 61.983 63.200 -0.013 0.000 0.861 160 S HN 1.001 nan 8.310 nan 0.000 0.456 161 A N 1.005 123.829 122.820 0.008 0.000 1.969 161 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 161 A C 2.323 179.937 177.584 0.049 0.000 1.169 161 A CA 1.453 53.508 52.037 0.031 0.000 0.635 161 A CB -0.700 18.314 19.000 0.023 0.000 0.810 161 A HN 0.383 nan 8.150 nan 0.000 0.445 162 V N -0.044 119.887 119.914 0.028 0.000 2.591 162 V HA -0.189 3.931 4.120 -0.001 0.000 0.249 162 V C 2.276 178.423 176.094 0.088 0.000 1.053 162 V CA 1.877 64.204 62.300 0.047 0.000 1.068 162 V CB -0.653 31.175 31.823 0.009 0.000 0.689 162 V HN 0.504 nan 8.190 nan 0.000 0.462 163 K N 0.990 121.407 120.400 0.028 0.000 2.020 163 K HA -0.231 4.088 4.320 -0.001 0.000 0.212 163 K C 2.401 179.203 176.600 0.337 0.000 1.050 163 K CA 1.758 58.094 56.287 0.082 0.000 0.929 163 K CB -0.632 31.776 32.500 -0.154 0.000 0.714 163 K HN 0.442 nan 8.250 nan 0.000 0.443 164 A N 2.026 124.985 122.820 0.231 0.000 1.896 164 A HA -0.309 4.010 4.320 -0.001 0.000 0.220 164 A C 2.033 179.785 177.584 0.281 0.000 1.206 164 A CA 2.127 54.303 52.037 0.232 0.000 0.647 164 A CB -0.697 18.392 19.000 0.149 0.000 0.828 164 A HN 0.391 nan 8.150 nan 0.000 0.455 165 E N -0.449 119.912 120.200 0.267 0.000 2.085 165 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 165 E C 2.046 178.957 176.600 0.519 0.000 0.994 165 E CA 1.367 57.982 56.400 0.358 0.000 0.801 165 E CB -0.377 29.498 29.700 0.291 0.000 0.743 165 E HN 0.683 nan 8.360 nan 0.000 0.453 166 L N 0.469 121.966 121.223 0.456 0.000 2.042 166 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 166 L C 2.658 179.918 176.870 0.649 0.000 1.076 166 L CA 1.238 56.436 54.840 0.596 0.000 0.749 166 L CB -0.382 42.061 42.059 0.641 0.000 0.893 166 L HN 0.070 nan 8.230 nan 0.000 0.432 167 R N -0.561 120.291 120.500 0.587 0.000 2.081 167 R HA -0.206 4.134 4.340 -0.001 0.000 0.235 167 R C 2.302 178.813 176.300 0.352 0.000 1.131 167 R CA 1.356 57.754 56.100 0.498 0.000 0.960 167 R CB -0.302 30.216 30.300 0.363 0.000 0.856 167 R HN 0.253 nan 8.270 nan 0.000 0.436 168 Q N 0.295 120.277 119.800 0.304 0.000 2.002 168 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 168 Q C 1.697 177.770 176.000 0.122 0.000 0.988 168 Q CA 1.910 57.809 55.803 0.161 0.000 0.843 168 Q CB -0.482 28.305 28.738 0.082 0.000 0.908 168 Q HN 0.350 nan 8.270 nan 0.000 0.420 169 Y N -0.837 119.557 120.300 0.156 0.000 2.165 169 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 169 Y C 2.061 177.915 175.900 -0.076 0.000 1.155 169 Y CA 1.505 59.681 58.100 0.126 0.000 1.164 169 Y CB -0.674 37.974 38.460 0.313 0.000 0.978 169 Y HN 0.218 nan 8.280 nan 0.000 0.513 170 F N 0.502 120.330 119.950 -0.203 0.000 2.126 170 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 170 F C 2.683 178.333 175.800 -0.251 0.000 1.096 170 F CA 1.688 59.281 58.000 -0.679 0.000 1.255 170 F CB -0.327 38.072 39.000 -1.002 0.000 0.997 170 F HN -0.132 nan 8.300 nan 0.000 0.479 171 R N 0.445 120.990 120.500 0.075 0.000 2.097 171 R HA -0.228 4.111 4.340 -0.001 0.000 0.236 171 R C 1.981 178.242 176.300 -0.065 0.000 1.135 171 R CA 2.054 58.188 56.100 0.057 0.000 0.934 171 R CB -0.594 29.753 30.300 0.079 0.000 0.846 171 R HN 0.293 nan 8.270 nan 0.000 0.431 172 N N 0.749 119.404 118.700 -0.076 0.000 2.334 172 N HA -0.184 4.556 4.740 -0.001 0.000 0.187 172 N C 1.754 177.189 175.510 -0.126 0.000 1.016 172 N CA 1.054 54.049 53.050 -0.092 0.000 0.879 172 N CB -0.182 38.244 38.487 -0.101 0.000 0.965 172 N HN 0.353 nan 8.380 nan 0.000 0.438 173 L N -0.261 120.823 121.223 -0.231 0.000 2.179 173 L HA -0.031 4.309 4.340 -0.001 0.000 0.208 173 L C 2.080 178.789 176.870 -0.268 0.000 1.096 173 L CA 0.497 55.164 54.840 -0.288 0.000 0.779 173 L CB -0.167 41.581 42.059 -0.518 0.000 0.922 173 L HN 0.172 nan 8.230 nan 0.000 0.443 174 C N -0.574 118.565 119.300 -0.268 0.000 2.450 174 C HA -0.075 4.384 4.460 -0.001 0.000 0.279 174 C C 2.474 177.412 174.990 -0.086 0.000 1.335 174 C CA 0.929 59.859 59.018 -0.145 0.000 1.749 174 C CB -0.808 26.903 27.740 -0.048 0.000 1.963 174 C HN 0.601 nan 8.230 nan 0.000 0.501 175 S N -0.196 115.457 115.700 -0.079 0.000 2.618 175 S HA 0.142 4.612 4.470 -0.001 0.000 0.242 175 S C -0.454 174.112 174.600 -0.058 0.000 0.972 175 S CA -0.289 57.877 58.200 -0.056 0.000 1.004 175 S CB -0.567 62.608 63.200 -0.041 0.000 0.778 175 S HN 0.612 nan 8.310 nan 0.000 0.459 176 D N 1.627 121.985 120.400 -0.069 0.000 2.382 176 D HA 0.112 4.751 4.640 -0.001 0.000 0.245 176 D C 0.620 176.891 176.300 -0.049 0.000 1.120 176 D CA -0.121 53.846 54.000 -0.056 0.000 0.890 176 D CB 0.699 41.464 40.800 -0.059 0.000 1.201 176 D HN 0.045 nan 8.370 nan 0.000 0.433 177 D N 1.681 122.059 120.400 -0.036 0.000 2.351 177 D HA -0.075 4.564 4.640 -0.001 0.000 0.216 177 D C 0.145 176.415 176.300 -0.050 0.000 0.968 177 D CA 0.937 54.916 54.000 -0.036 0.000 0.899 177 D CB -0.007 40.780 40.800 -0.022 0.000 0.907 177 D HN 0.325 nan 8.370 nan 0.000 0.514 178 T N 0.485 115.001 114.554 -0.063 0.000 2.859 178 T HA 0.247 4.597 4.350 -0.001 0.000 0.281 178 T C -1.840 172.790 174.700 -0.115 0.000 1.005 178 T CA -1.678 60.361 62.100 -0.101 0.000 1.025 178 T CB 2.434 71.219 68.868 -0.138 0.000 0.977 178 T HN -0.263 nan 8.240 nan 0.000 0.458 179 P HA -0.003 nan 4.420 nan 0.000 0.215 179 P C 1.818 179.041 177.300 -0.130 0.000 1.157 179 P CA 1.020 64.051 63.100 -0.115 0.000 0.863 179 P CB 0.049 31.682 31.700 -0.110 0.000 0.787 180 M N -0.993 118.488 119.600 -0.197 0.000 2.082 180 M HA -0.163 4.316 4.480 -0.001 0.000 0.258 180 M C 1.846 178.074 176.300 -0.119 0.000 1.069 180 M CA 1.775 56.957 55.300 -0.196 0.000 1.102 180 M CB -0.862 31.505 32.600 -0.389 0.000 1.336 180 M HN -0.195 nan 8.290 nan 0.000 0.404 181 V N -0.117 119.726 119.914 -0.119 0.000 2.594 181 V HA -0.240 3.880 4.120 -0.001 0.000 0.253 181 V C 2.241 178.289 176.094 -0.077 0.000 1.069 181 V CA 1.575 63.842 62.300 -0.055 0.000 1.082 181 V CB -0.816 30.986 31.823 -0.034 0.000 0.680 181 V HN 0.436 nan 8.190 nan 0.000 0.469 182 R N -0.138 120.313 120.500 -0.082 0.000 2.075 182 R HA 0.014 4.354 4.340 -0.001 0.000 0.226 182 R C 2.552 178.823 176.300 -0.048 0.000 1.114 182 R CA 0.828 56.884 56.100 -0.073 0.000 0.972 182 R CB -0.252 30.008 30.300 -0.067 0.000 0.869 182 R HN 0.483 nan 8.270 nan 0.000 0.437 183 R N 0.566 121.040 120.500 -0.043 0.000 2.096 183 R HA -0.041 4.298 4.340 -0.001 0.000 0.235 183 R C 2.296 178.599 176.300 0.004 0.000 1.127 183 R CA 1.301 57.390 56.100 -0.017 0.000 0.968 183 R CB -0.402 29.883 30.300 -0.026 0.000 0.861 183 R HN 0.160 nan 8.270 nan 0.000 0.440 184 A N 1.795 124.612 122.820 -0.005 0.000 1.858 184 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 184 A C 2.483 180.077 177.584 0.017 0.000 1.190 184 A CA 1.804 53.853 52.037 0.019 0.000 0.617 184 A CB -0.757 18.256 19.000 0.023 0.000 0.827 184 A HN 0.378 nan 8.150 nan 0.000 0.443 185 A N -0.206 122.576 122.820 -0.063 0.000 1.908 185 A HA 0.094 4.414 4.320 -0.001 0.000 0.218 185 A C 2.517 180.163 177.584 0.103 0.000 1.181 185 A CA 2.372 54.329 52.037 -0.133 0.000 0.627 185 A CB -1.088 17.704 19.000 -0.346 0.000 0.818 185 A HN 1.149 nan 8.150 nan 0.000 0.445 186 A N 0.306 123.172 122.820 0.077 0.000 1.908 186 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 186 A C 2.454 180.121 177.584 0.138 0.000 1.181 186 A CA 2.392 54.504 52.037 0.125 0.000 0.627 186 A CB -1.018 18.030 19.000 0.081 0.000 0.818 186 A HN 1.133 nan 8.150 nan 0.000 0.445 187 S N -1.641 114.125 115.700 0.110 0.000 2.555 187 S HA 0.027 4.497 4.470 -0.001 0.000 0.230 187 S C 1.272 175.952 174.600 0.133 0.000 0.978 187 S CA 1.041 59.303 58.200 0.105 0.000 0.934 187 S CB 0.038 63.287 63.200 0.082 0.000 0.766 187 S HN 0.397 nan 8.310 nan 0.000 0.533 188 K N 0.107 120.625 120.400 0.196 0.000 2.402 188 K HA 0.376 4.696 4.320 -0.001 0.000 0.204 188 K C 1.215 177.962 176.600 0.245 0.000 1.056 188 K CA -0.137 56.290 56.287 0.232 0.000 1.069 188 K CB -0.062 32.619 32.500 0.302 0.000 0.888 188 K HN 0.306 nan 8.250 nan 0.000 0.546 189 L N 1.272 122.654 121.223 0.264 0.000 2.042 189 L HA -0.076 4.264 4.340 -0.001 0.000 0.210 189 L C 1.911 178.797 176.870 0.026 0.000 1.076 189 L CA 2.195 57.142 54.840 0.178 0.000 0.749 189 L CB -0.903 41.291 42.059 0.224 0.000 0.893 189 L HN 0.240 nan 8.230 nan 0.000 0.432 190 G N -0.409 108.410 108.800 0.031 0.000 2.480 190 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.216 190 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.216 190 G C 1.303 176.187 174.900 -0.028 0.000 1.200 190 G CA 0.933 46.019 45.100 -0.025 0.000 0.782 190 G HN 0.672 nan 8.290 nan 0.000 0.554 191 E N -0.663 119.552 120.200 0.025 0.000 2.110 191 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 191 E C 2.229 178.850 176.600 0.035 0.000 0.988 191 E CA 0.992 57.414 56.400 0.037 0.000 0.804 191 E CB -0.498 29.252 29.700 0.083 0.000 0.745 191 E HN 0.341 nan 8.360 nan 0.000 0.458 192 F N 2.343 122.170 119.950 -0.205 0.000 2.134 192 F HA -0.044 4.482 4.527 -0.001 0.000 0.299 192 F C 2.380 177.966 175.800 -0.358 0.000 1.097 192 F CA 0.993 58.772 58.000 -0.370 0.000 1.264 192 F CB -0.811 37.687 39.000 -0.838 0.000 1.001 192 F HN 0.101 nan 8.300 nan 0.000 0.479 193 A N 0.612 123.222 122.820 -0.350 0.000 1.865 193 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 193 A C 2.174 179.574 177.584 -0.306 0.000 1.191 193 A CA 2.326 54.130 52.037 -0.388 0.000 0.623 193 A CB -1.036 17.820 19.000 -0.239 0.000 0.826 193 A HN 0.355 nan 8.150 nan 0.000 0.444 194 K N 0.483 120.773 120.400 -0.183 0.000 2.286 194 K HA -0.133 4.186 4.320 -0.001 0.000 0.203 194 K C 1.292 177.826 176.600 -0.110 0.000 1.045 194 K CA 2.102 58.317 56.287 -0.121 0.000 0.935 194 K CB -0.786 31.675 32.500 -0.065 0.000 0.737 194 K HN 0.727 nan 8.250 nan 0.000 0.460 195 V N -1.673 118.151 119.914 -0.150 0.000 3.621 195 V HA 0.359 4.478 4.120 -0.001 0.000 0.285 195 V C 0.424 176.465 176.094 -0.089 0.000 1.346 195 V CA -0.463 61.801 62.300 -0.060 0.000 1.104 195 V CB -0.448 31.423 31.823 0.080 0.000 0.913 195 V HN 0.064 nan 8.190 nan 0.000 0.432 196 L N 2.096 123.119 121.223 -0.333 0.000 2.379 196 L HA 0.526 4.866 4.340 -0.001 0.000 0.269 196 L C 0.437 177.246 176.870 -0.102 0.000 1.084 196 L CA -0.678 53.983 54.840 -0.300 0.000 0.802 196 L CB 0.963 42.657 42.059 -0.608 0.000 1.175 196 L HN 0.321 nan 8.230 nan 0.000 0.448 197 E N 2.514 122.713 120.200 -0.001 0.000 2.338 197 E HA 0.086 4.436 4.350 -0.001 0.000 0.272 197 E C 0.898 177.473 176.600 -0.043 0.000 1.029 197 E CA -0.422 55.973 56.400 -0.008 0.000 0.872 197 E CB 1.620 31.336 29.700 0.026 0.000 1.015 197 E HN 0.597 nan 8.360 nan 0.000 0.417 198 L N 2.146 123.341 121.223 -0.046 0.000 2.167 198 L HA -0.428 3.912 4.340 -0.001 0.000 0.241 198 L C 1.509 178.352 176.870 -0.046 0.000 1.123 198 L CA 2.774 57.583 54.840 -0.051 0.000 0.849 198 L CB -0.618 41.419 42.059 -0.036 0.000 0.947 198 L HN 0.629 nan 8.230 nan 0.000 0.449 199 D N -0.470 119.914 120.400 -0.027 0.000 2.200 199 D HA -0.241 4.398 4.640 -0.001 0.000 0.192 199 D C 1.782 178.068 176.300 -0.022 0.000 1.008 199 D CA 1.799 55.789 54.000 -0.017 0.000 0.872 199 D CB -0.304 40.494 40.800 -0.004 0.000 0.923 199 D HN 0.433 nan 8.370 nan 0.000 0.447 200 N N -0.116 118.565 118.700 -0.033 0.000 2.354 200 N HA -0.040 4.699 4.740 -0.001 0.000 0.179 200 N C 1.797 177.252 175.510 -0.093 0.000 1.021 200 N CA 0.259 53.281 53.050 -0.048 0.000 0.887 200 N CB 0.082 38.542 38.487 -0.044 0.000 0.974 200 N HN 0.130 nan 8.380 nan 0.000 0.437 201 V N 1.736 121.582 119.914 -0.114 0.000 2.358 201 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 201 V C 2.258 178.308 176.094 -0.074 0.000 1.047 201 V CA 1.499 63.719 62.300 -0.132 0.000 1.035 201 V CB -0.252 31.489 31.823 -0.136 0.000 0.658 201 V HN 0.234 nan 8.190 nan 0.000 0.452 202 K N 0.486 120.857 120.400 -0.050 0.000 2.025 202 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 202 K C 2.375 178.971 176.600 -0.007 0.000 1.049 202 K CA 1.781 58.054 56.287 -0.023 0.000 0.933 202 K CB -0.275 32.214 32.500 -0.018 0.000 0.714 202 K HN 0.619 nan 8.250 nan 0.000 0.438 203 S N 0.077 115.772 115.700 -0.008 0.000 2.446 203 S HA -0.016 4.453 4.470 -0.001 0.000 0.225 203 S C 1.663 176.271 174.600 0.013 0.000 1.016 203 S CA 0.780 58.983 58.200 0.006 0.000 0.943 203 S CB 0.162 63.368 63.200 0.009 0.000 0.786 203 S HN 0.189 nan 8.310 nan 0.000 0.508 204 E N 0.144 120.344 120.200 0.001 0.000 2.332 204 E HA 0.339 4.689 4.350 -0.001 0.000 0.202 204 E C 1.811 178.428 176.600 0.028 0.000 0.877 204 E CA 0.074 56.487 56.400 0.020 0.000 0.979 204 E CB 0.059 29.772 29.700 0.021 0.000 0.969 204 E HN 0.264 nan 8.360 nan 0.000 0.495 205 I N 1.316 121.874 120.570 -0.020 0.000 2.110 205 I HA -0.221 3.949 4.170 -0.001 0.000 0.236 205 I C 2.116 178.282 176.117 0.082 0.000 1.068 205 I CA 0.991 62.286 61.300 -0.007 0.000 1.333 205 I CB -0.865 37.070 38.000 -0.108 0.000 1.054 205 I HN 0.172 nan 8.210 nan 0.000 0.402 206 I N 1.273 121.886 120.570 0.071 0.000 2.113 206 I HA -0.254 3.916 4.170 -0.001 0.000 0.242 206 I C 0.008 176.225 176.117 0.166 0.000 1.057 206 I CA 2.389 63.781 61.300 0.154 0.000 1.314 206 I CB -2.729 35.327 38.000 0.094 0.000 1.022 206 I HN 0.126 nan 8.210 nan 0.000 0.408 207 P HA -0.148 nan 4.420 nan 0.000 0.215 207 P C 2.206 179.549 177.300 0.072 0.000 1.153 207 P CA 1.581 64.719 63.100 0.064 0.000 0.853 207 P CB -0.079 31.650 31.700 0.048 0.000 0.788 208 M N -2.716 116.950 119.600 0.110 0.000 2.086 208 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 208 M C 2.111 178.500 176.300 0.148 0.000 1.067 208 M CA 1.784 57.160 55.300 0.127 0.000 1.116 208 M CB -1.072 31.640 32.600 0.187 0.000 1.348 208 M HN -0.085 nan 8.290 nan 0.000 0.407 209 F N 1.357 121.328 119.950 0.035 0.000 2.069 209 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 209 F C 2.483 178.292 175.800 0.015 0.000 1.113 209 F CA 1.852 59.867 58.000 0.025 0.000 1.214 209 F CB -0.736 38.271 39.000 0.011 0.000 0.978 209 F HN 0.017 nan 8.300 nan 0.000 0.474 210 S N 0.784 116.364 115.700 -0.200 0.000 2.359 210 S HA -0.267 4.203 4.470 -0.001 0.000 0.223 210 S C 1.949 176.412 174.600 -0.227 0.000 1.039 210 S CA 1.468 59.492 58.200 -0.294 0.000 1.042 210 S CB -0.715 62.427 63.200 -0.097 0.000 0.915 210 S HN 0.491 nan 8.310 nan 0.000 0.439 211 N N 1.306 119.940 118.700 -0.111 0.000 2.043 211 N HA -0.046 4.694 4.740 -0.001 0.000 0.193 211 N C 1.706 177.160 175.510 -0.093 0.000 1.037 211 N CA 1.259 54.262 53.050 -0.077 0.000 0.851 211 N CB -0.479 37.990 38.487 -0.030 0.000 1.027 211 N HN 0.340 nan 8.380 nan 0.000 0.422 212 L N 0.620 121.795 121.223 -0.080 0.000 2.141 212 L HA -0.083 4.257 4.340 -0.001 0.000 0.209 212 L C 2.417 179.218 176.870 -0.116 0.000 1.094 212 L CA 0.973 55.775 54.840 -0.063 0.000 0.763 212 L CB -0.386 41.679 42.059 0.010 0.000 0.908 212 L HN 0.116 nan 8.230 nan 0.000 0.437 213 A N -0.300 122.371 122.820 -0.248 0.000 2.019 213 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 213 A C 2.019 179.502 177.584 -0.169 0.000 1.164 213 A CA 1.622 53.494 52.037 -0.276 0.000 0.644 213 A CB -0.425 18.234 19.000 -0.568 0.000 0.805 213 A HN 0.469 nan 8.150 nan 0.000 0.449 214 S N -0.326 115.284 115.700 -0.149 0.000 2.481 214 S HA 0.316 4.786 4.470 -0.001 0.000 0.243 214 S C -0.405 174.150 174.600 -0.074 0.000 1.152 214 S CA -0.285 57.855 58.200 -0.099 0.000 1.168 214 S CB -0.534 62.611 63.200 -0.093 0.000 0.835 214 S HN 0.417 nan 8.310 nan 0.000 0.474 215 D N 1.452 121.810 120.400 -0.071 0.000 2.341 215 D HA 0.116 4.756 4.640 -0.001 0.000 0.245 215 D C 1.214 177.484 176.300 -0.050 0.000 1.106 215 D CA -0.311 53.654 54.000 -0.057 0.000 0.905 215 D CB 0.901 41.669 40.800 -0.054 0.000 1.202 215 D HN 0.396 nan 8.370 nan 0.000 0.426 216 E N 1.781 121.954 120.200 -0.045 0.000 2.085 216 E HA -0.267 4.082 4.350 -0.001 0.000 0.194 216 E C 0.096 176.670 176.600 -0.043 0.000 0.994 216 E CA 0.929 57.305 56.400 -0.040 0.000 0.801 216 E CB 0.200 29.877 29.700 -0.037 0.000 0.743 216 E HN 0.401 nan 8.360 nan 0.000 0.453 217 Q N 0.916 120.687 119.800 -0.048 0.000 2.274 217 Q HA 0.014 4.353 4.340 -0.001 0.000 0.256 217 Q C -0.062 175.903 176.000 -0.058 0.000 0.927 217 Q CA 0.154 55.925 55.803 -0.053 0.000 0.939 217 Q CB 1.648 30.352 28.738 -0.057 0.000 1.201 217 Q HN 0.277 nan 8.270 nan 0.000 0.426 218 D N 0.583 120.944 120.400 -0.066 0.000 2.347 218 D HA -0.133 4.506 4.640 -0.001 0.000 0.215 218 D C 0.871 177.118 176.300 -0.088 0.000 0.976 218 D CA 1.080 55.032 54.000 -0.080 0.000 0.884 218 D CB 0.074 40.814 40.800 -0.101 0.000 0.915 218 D HN 0.448 nan 8.370 nan 0.000 0.526 219 S N -0.268 115.383 115.700 -0.082 0.000 2.428 219 S HA -0.062 4.407 4.470 -0.001 0.000 0.230 219 S C 2.016 176.583 174.600 -0.055 0.000 1.014 219 S CA 0.670 58.823 58.200 -0.078 0.000 0.957 219 S CB -0.423 62.733 63.200 -0.073 0.000 0.784 219 S HN 0.157 nan 8.310 nan 0.000 0.499 220 V N 2.023 121.907 119.914 -0.050 0.000 2.446 220 V HA 0.024 4.144 4.120 -0.001 0.000 0.244 220 V C 2.879 178.959 176.094 -0.023 0.000 1.039 220 V CA 1.218 63.498 62.300 -0.033 0.000 1.045 220 V CB -0.637 31.163 31.823 -0.039 0.000 0.681 220 V HN 0.405 nan 8.190 nan 0.000 0.459 221 R N 0.198 120.676 120.500 -0.037 0.000 2.082 221 R HA -0.191 4.148 4.340 -0.001 0.000 0.234 221 R C 2.430 178.725 176.300 -0.009 0.000 1.136 221 R CA 2.009 58.089 56.100 -0.034 0.000 0.935 221 R CB -0.988 29.283 30.300 -0.048 0.000 0.842 221 R HN 0.503 nan 8.270 nan 0.000 0.430 222 L N 1.257 122.465 121.223 -0.026 0.000 2.123 222 L HA -0.253 4.087 4.340 -0.001 0.000 0.217 222 L C 2.008 178.894 176.870 0.027 0.000 1.081 222 L CA 1.683 56.514 54.840 -0.015 0.000 0.772 222 L CB -0.278 41.743 42.059 -0.062 0.000 0.890 222 L HN 0.209 nan 8.230 nan 0.000 0.437 223 L N -0.322 120.918 121.223 0.028 0.000 2.313 223 L HA -0.027 4.312 4.340 -0.001 0.000 0.214 223 L C 2.802 179.731 176.870 0.100 0.000 1.119 223 L CA 0.634 55.508 54.840 0.057 0.000 0.809 223 L CB -0.638 41.449 42.059 0.045 0.000 0.933 223 L HN 0.381 nan 8.230 nan 0.000 0.449 224 A N -0.232 122.660 122.820 0.119 0.000 2.121 224 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 224 A C 2.284 180.057 177.584 0.314 0.000 1.154 224 A CA 1.050 53.234 52.037 0.245 0.000 0.679 224 A CB -0.539 18.563 19.000 0.170 0.000 0.795 224 A HN 0.201 nan 8.150 nan 0.000 0.458 225 V N 0.034 120.059 119.914 0.185 0.000 2.343 225 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 225 V C 2.535 178.691 176.094 0.103 0.000 1.051 225 V CA 2.453 64.846 62.300 0.155 0.000 1.036 225 V CB -0.671 31.219 31.823 0.111 0.000 0.654 225 V HN 0.833 nan 8.190 nan 0.000 0.451 226 E N 0.681 120.932 120.200 0.085 0.000 2.072 226 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 226 E C 2.141 178.748 176.600 0.011 0.000 0.985 226 E CA 1.453 57.881 56.400 0.046 0.000 0.801 226 E CB -0.415 29.318 29.700 0.054 0.000 0.750 226 E HN 0.502 nan 8.360 nan 0.000 0.452 227 A N 0.532 123.374 122.820 0.037 0.000 1.940 227 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 227 A C 2.577 180.007 177.584 -0.256 0.000 1.176 227 A CA 1.497 53.511 52.037 -0.039 0.000 0.631 227 A CB -1.388 17.663 19.000 0.085 0.000 0.814 227 A HN 0.597 nan 8.150 nan 0.000 0.446 228 C N -1.009 118.143 119.300 -0.246 0.000 2.413 228 C HA -0.091 4.369 4.460 -0.001 0.000 0.276 228 C C 2.699 177.534 174.990 -0.258 0.000 1.236 228 C CA 1.356 60.112 59.018 -0.437 0.000 1.735 228 C CB -1.427 26.294 27.740 -0.030 0.000 2.031 228 C HN 0.445 nan 8.230 nan 0.000 0.474 229 V N 1.473 121.309 119.914 -0.130 0.000 2.324 229 V HA -0.283 3.836 4.120 -0.001 0.000 0.250 229 V C 2.060 178.080 176.094 -0.123 0.000 1.060 229 V CA 2.762 65.000 62.300 -0.103 0.000 1.042 229 V CB -1.011 30.778 31.823 -0.057 0.000 0.650 229 V HN 0.638 nan 8.190 nan 0.000 0.450 230 N N -0.126 118.495 118.700 -0.132 0.000 2.080 230 N HA -0.081 4.659 4.740 -0.001 0.000 0.189 230 N C 1.846 177.257 175.510 -0.166 0.000 1.036 230 N CA 1.494 54.468 53.050 -0.126 0.000 0.846 230 N CB -0.215 38.209 38.487 -0.105 0.000 1.015 230 N HN 0.382 nan 8.380 nan 0.000 0.423 231 I N 1.154 121.575 120.570 -0.249 0.000 2.208 231 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 231 I C 2.399 178.390 176.117 -0.209 0.000 1.097 231 I CA 0.864 62.003 61.300 -0.269 0.000 1.363 231 I CB -0.472 37.262 38.000 -0.445 0.000 1.051 231 I HN 0.192 nan 8.210 nan 0.000 0.413 232 A N 0.207 122.901 122.820 -0.209 0.000 2.019 232 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 232 A C 2.223 179.743 177.584 -0.106 0.000 1.164 232 A CA 1.506 53.459 52.037 -0.141 0.000 0.644 232 A CB -0.475 18.449 19.000 -0.127 0.000 0.805 232 A HN 0.503 nan 8.150 nan 0.000 0.449 233 Q N -0.618 119.119 119.800 -0.104 0.000 2.187 233 Q HA 0.120 4.460 4.340 -0.001 0.000 0.199 233 Q C 1.794 177.748 176.000 -0.077 0.000 0.957 233 Q CA 0.840 56.594 55.803 -0.081 0.000 0.857 233 Q CB -0.183 28.511 28.738 -0.073 0.000 0.929 233 Q HN 0.656 nan 8.270 nan 0.000 0.453 234 L N 0.367 121.535 121.223 -0.091 0.000 2.376 234 L HA -0.012 4.328 4.340 -0.001 0.000 0.219 234 L C 0.495 177.321 176.870 -0.074 0.000 1.133 234 L CA 0.349 55.138 54.840 -0.085 0.000 0.816 234 L CB -0.041 41.955 42.059 -0.105 0.000 0.933 234 L HN 0.139 nan 8.230 nan 0.000 0.449 235 L N 0.377 121.555 121.223 -0.074 0.000 2.334 235 L HA 0.388 4.728 4.340 -0.001 0.000 0.275 235 L C -2.059 174.782 176.870 -0.048 0.000 1.036 235 L CA -2.110 52.694 54.840 -0.059 0.000 0.807 235 L CB 0.927 42.951 42.059 -0.059 0.000 1.231 235 L HN -0.209 nan 8.230 nan 0.000 0.438 236 P HA -0.036 nan 4.420 nan 0.000 0.271 236 P C 0.060 177.343 177.300 -0.029 0.000 1.216 236 P CA -0.221 62.860 63.100 -0.032 0.000 0.771 236 P CB 0.988 32.673 31.700 -0.026 0.000 0.864 237 Q N 2.479 122.262 119.800 -0.029 0.000 2.197 237 Q HA -0.255 4.084 4.340 -0.001 0.000 0.211 237 Q C 1.167 177.155 176.000 -0.019 0.000 0.993 237 Q CA 2.290 58.077 55.803 -0.026 0.000 0.883 237 Q CB -0.036 28.686 28.738 -0.026 0.000 0.916 237 Q HN 0.479 nan 8.270 nan 0.000 0.418 238 E N 0.622 120.812 120.200 -0.017 0.000 2.077 238 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 238 E C 1.649 178.244 176.600 -0.009 0.000 0.989 238 E CA 1.453 57.846 56.400 -0.011 0.000 0.800 238 E CB -0.225 29.469 29.700 -0.010 0.000 0.746 238 E HN 0.398 nan 8.360 nan 0.000 0.452 239 D N 0.188 120.581 120.400 -0.011 0.000 2.312 239 D HA -0.056 4.583 4.640 -0.001 0.000 0.211 239 D C 1.861 178.159 176.300 -0.005 0.000 0.964 239 D CA 0.370 54.365 54.000 -0.008 0.000 0.877 239 D CB 0.005 40.797 40.800 -0.013 0.000 0.924 239 D HN 0.178 nan 8.370 nan 0.000 0.515 240 L N 0.708 121.925 121.223 -0.010 0.000 1.989 240 L HA -0.223 4.117 4.340 -0.001 0.000 0.211 240 L C 2.519 179.393 176.870 0.008 0.000 1.071 240 L CA 1.255 56.091 54.840 -0.007 0.000 0.749 240 L CB -0.370 41.679 42.059 -0.017 0.000 0.890 240 L HN -0.035 nan 8.230 nan 0.000 0.431 241 E N 0.334 120.538 120.200 0.006 0.000 2.130 241 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 241 E C 1.944 178.555 176.600 0.018 0.000 0.998 241 E CA 1.840 58.247 56.400 0.013 0.000 0.806 241 E CB -0.077 29.628 29.700 0.009 0.000 0.738 241 E HN 0.429 nan 8.360 nan 0.000 0.459 242 A N -0.389 122.441 122.820 0.016 0.000 1.903 242 A HA 0.068 4.388 4.320 -0.001 0.000 0.213 242 A C 2.189 179.791 177.584 0.029 0.000 1.185 242 A CA 0.989 53.037 52.037 0.019 0.000 0.628 242 A CB -0.272 18.736 19.000 0.013 0.000 0.830 242 A HN 0.291 nan 8.150 nan 0.000 0.446 243 L N -1.153 120.090 121.223 0.033 0.000 2.477 243 L HA 0.077 4.417 4.340 -0.001 0.000 0.220 243 L C 1.584 178.512 176.870 0.097 0.000 1.106 243 L CA 0.244 55.116 54.840 0.053 0.000 0.851 243 L CB 0.262 42.343 42.059 0.037 0.000 0.994 243 L HN 0.227 nan 8.230 nan 0.000 0.462 244 V N -2.337 117.630 119.914 0.088 0.000 3.102 244 V HA 0.016 4.136 4.120 -0.001 0.000 0.225 244 V C 2.094 178.264 176.094 0.126 0.000 1.301 244 V CA 0.032 62.420 62.300 0.147 0.000 1.308 244 V CB 0.075 31.942 31.823 0.073 0.000 1.129 244 V HN 0.062 nan 8.190 nan 0.000 0.502 245 M N 0.513 120.155 119.600 0.069 0.000 2.116 245 M HA -0.169 4.311 4.480 -0.001 0.000 0.255 245 M C -0.158 176.175 176.300 0.055 0.000 1.075 245 M CA 2.287 57.620 55.300 0.054 0.000 1.087 245 M CB -2.578 30.041 32.600 0.033 0.000 1.340 245 M HN 0.260 nan 8.290 nan 0.000 0.402 246 P HA -0.082 nan 4.420 nan 0.000 0.215 246 P C 1.572 178.891 177.300 0.032 0.000 1.157 246 P CA 1.547 64.667 63.100 0.034 0.000 0.863 246 P CB -0.278 31.437 31.700 0.025 0.000 0.787 247 T N 0.117 114.694 114.554 0.038 0.000 2.746 247 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 247 T C 1.669 176.395 174.700 0.042 0.000 1.039 247 T CA 1.072 63.172 62.100 0.001 0.000 1.142 247 T CB -0.959 67.886 68.868 -0.040 0.000 0.866 247 T HN -0.008 nan 8.240 nan 0.000 0.444 248 L N 1.294 122.579 121.223 0.104 0.000 2.056 248 L HA 0.061 4.400 4.340 -0.001 0.000 0.207 248 L C 2.411 179.328 176.870 0.079 0.000 1.078 248 L CA 1.618 56.523 54.840 0.108 0.000 0.749 248 L CB -0.588 41.530 42.059 0.098 0.000 0.901 248 L HN 0.055 nan 8.230 nan 0.000 0.433 249 R N -0.973 119.566 120.500 0.065 0.000 2.120 249 R HA -0.196 4.143 4.340 -0.001 0.000 0.234 249 R C 2.249 178.582 176.300 0.055 0.000 1.123 249 R CA 1.362 57.501 56.100 0.064 0.000 0.975 249 R CB -0.289 30.043 30.300 0.053 0.000 0.866 249 R HN 0.422 nan 8.270 nan 0.000 0.446 250 Q N 0.795 120.617 119.800 0.037 0.000 2.046 250 Q HA -0.079 4.261 4.340 -0.001 0.000 0.200 250 Q C 1.923 177.941 176.000 0.031 0.000 0.975 250 Q CA 2.043 57.860 55.803 0.023 0.000 0.836 250 Q CB -0.318 28.419 28.738 -0.001 0.000 0.896 250 Q HN 0.300 nan 8.270 nan 0.000 0.428 251 A N 0.453 123.295 122.820 0.036 0.000 1.917 251 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 251 A C 2.278 179.905 177.584 0.072 0.000 1.182 251 A CA 2.143 54.209 52.037 0.048 0.000 0.633 251 A CB -1.256 17.784 19.000 0.067 0.000 0.819 251 A HN 0.540 nan 8.150 nan 0.000 0.448 252 A N -0.960 121.915 122.820 0.092 0.000 2.121 252 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 252 A C 1.775 179.408 177.584 0.082 0.000 1.154 252 A CA 1.591 53.693 52.037 0.109 0.000 0.679 252 A CB -0.316 18.769 19.000 0.141 0.000 0.795 252 A HN 0.657 nan 8.150 nan 0.000 0.458 253 E N -0.382 119.857 120.200 0.064 0.000 2.489 253 E HA 0.018 4.367 4.350 -0.001 0.000 0.204 253 E C -0.142 176.486 176.600 0.047 0.000 1.006 253 E CA -0.433 55.998 56.400 0.052 0.000 0.936 253 E CB 0.207 29.931 29.700 0.041 0.000 1.002 253 E HN 0.564 nan 8.360 nan 0.000 0.488 254 D N 1.728 122.154 120.400 0.044 0.000 2.703 254 D HA -0.140 4.500 4.640 -0.001 0.000 0.225 254 D C 0.936 177.262 176.300 0.042 0.000 1.119 254 D CA 0.439 54.458 54.000 0.032 0.000 0.845 254 D CB 0.843 41.657 40.800 0.022 0.000 1.182 254 D HN -0.081 nan 8.370 nan 0.000 0.493 255 K N 1.717 122.135 120.400 0.030 0.000 2.074 255 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 255 K C 1.054 177.692 176.600 0.064 0.000 1.048 255 K CA 0.532 56.844 56.287 0.041 0.000 0.926 255 K CB -0.676 31.838 32.500 0.024 0.000 0.713 255 K HN 0.270 nan 8.250 nan 0.000 0.444 256 S N 2.083 117.800 115.700 0.028 0.000 2.481 256 S HA 0.069 4.539 4.470 -0.001 0.000 0.276 256 S C 1.315 175.920 174.600 0.009 0.000 1.247 256 S CA -0.819 57.376 58.200 -0.009 0.000 1.053 256 S CB 0.184 63.322 63.200 -0.104 0.000 0.925 256 S HN 0.424 nan 8.310 nan 0.000 0.491 257 W N 6.472 127.788 121.300 0.028 0.000 2.425 257 W HA -0.115 4.544 4.660 -0.001 0.000 0.277 257 W C 1.169 177.741 176.519 0.088 0.000 1.231 257 W CA 0.326 57.702 57.345 0.052 0.000 1.248 257 W CB -0.746 28.735 29.460 0.035 0.000 1.117 257 W HN 0.690 nan 8.180 nan 0.000 0.568 258 R N 1.133 121.021 120.500 -1.019 0.000 2.073 258 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 258 R C 2.478 178.626 176.300 -0.253 0.000 1.134 258 R CA 2.254 57.783 56.100 -0.952 0.000 0.952 258 R CB -0.866 28.875 30.300 -0.931 0.000 0.850 258 R HN 0.051 nan 8.270 nan 0.000 0.433 259 V N 1.180 120.997 119.914 -0.162 0.000 2.343 259 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 259 V C 2.269 178.401 176.094 0.062 0.000 1.051 259 V CA 1.799 64.083 62.300 -0.027 0.000 1.036 259 V CB -0.495 31.314 31.823 -0.024 0.000 0.654 259 V HN 0.319 nan 8.190 nan 0.000 0.451 260 R N -1.206 119.351 120.500 0.094 0.000 2.115 260 R HA -0.179 4.161 4.340 -0.001 0.000 0.230 260 R C 2.306 178.715 176.300 0.182 0.000 1.111 260 R CA 1.776 57.960 56.100 0.141 0.000 0.976 260 R CB -0.568 29.829 30.300 0.161 0.000 0.870 260 R HN 0.618 nan 8.270 nan 0.000 0.445 261 Y N 1.257 121.613 120.300 0.094 0.000 2.165 261 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 261 Y C 2.284 178.239 175.900 0.091 0.000 1.155 261 Y CA 1.542 59.718 58.100 0.127 0.000 1.164 261 Y CB -0.002 38.529 38.460 0.118 0.000 0.978 261 Y HN -0.099 nan 8.280 nan 0.000 0.513 262 M N -1.023 118.698 119.600 0.202 0.000 2.229 262 M HA -0.172 4.308 4.480 -0.001 0.000 0.264 262 M C 2.175 178.526 176.300 0.084 0.000 1.063 262 M CA 0.989 56.363 55.300 0.122 0.000 1.114 262 M CB -1.249 31.423 32.600 0.120 0.000 1.387 262 M HN 0.231 nan 8.290 nan 0.000 0.420 263 V N 0.390 120.373 119.914 0.115 0.000 2.295 263 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 263 V C 2.629 178.873 176.094 0.250 0.000 1.049 263 V CA 1.858 64.266 62.300 0.179 0.000 1.024 263 V CB -1.151 30.794 31.823 0.204 0.000 0.648 263 V HN 0.483 nan 8.190 nan 0.000 0.447 264 A N -0.279 122.607 122.820 0.111 0.000 1.930 264 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 264 A C 2.010 179.605 177.584 0.018 0.000 1.175 264 A CA 2.017 54.070 52.037 0.026 0.000 0.627 264 A CB -0.638 18.293 19.000 -0.115 0.000 0.815 264 A HN 0.602 nan 8.150 nan 0.000 0.443 265 D N -0.213 120.131 120.400 -0.093 0.000 2.117 265 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 265 D C 1.236 177.565 176.300 0.048 0.000 0.987 265 D CA 1.177 55.129 54.000 -0.081 0.000 0.829 265 D CB -0.008 40.713 40.800 -0.131 0.000 0.961 265 D HN 0.382 nan 8.370 nan 0.000 0.460 266 K N -0.405 120.045 120.400 0.084 0.000 2.681 266 K HA 0.064 4.384 4.320 -0.001 0.000 0.211 266 K C 0.527 177.189 176.600 0.103 0.000 1.075 266 K CA -0.400 55.937 56.287 0.083 0.000 1.141 266 K CB 0.145 32.680 32.500 0.058 0.000 0.896 266 K HN 0.163 nan 8.250 nan 0.000 0.470 267 F N 2.464 122.401 119.950 -0.022 0.000 2.113 267 F HA -0.226 4.300 4.527 -0.001 0.000 0.297 267 F C 2.443 178.231 175.800 -0.021 0.000 1.103 267 F CA 1.960 59.930 58.000 -0.049 0.000 1.248 267 F CB -0.273 38.651 39.000 -0.127 0.000 0.999 267 F HN 0.128 nan 8.300 nan 0.000 0.475 268 T N -2.248 112.393 114.554 0.144 0.000 2.833 268 T HA -0.199 4.150 4.350 -0.001 0.000 0.269 268 T C 1.676 176.379 174.700 0.006 0.000 1.054 268 T CA 1.611 63.765 62.100 0.091 0.000 1.135 268 T CB -0.498 68.420 68.868 0.082 0.000 0.869 268 T HN 0.214 nan 8.240 nan 0.000 0.466 269 E N 1.059 121.256 120.200 -0.005 0.000 2.107 269 E HA 0.125 4.475 4.350 -0.001 0.000 0.191 269 E C 2.082 178.642 176.600 -0.068 0.000 0.982 269 E CA 0.569 56.952 56.400 -0.028 0.000 0.809 269 E CB -0.414 29.279 29.700 -0.011 0.000 0.756 269 E HN 0.462 nan 8.360 nan 0.000 0.459 270 L N 0.413 121.568 121.223 -0.113 0.000 2.072 270 L HA -0.165 4.175 4.340 -0.001 0.000 0.205 270 L C 2.660 179.428 176.870 -0.169 0.000 1.079 270 L CA 1.099 55.844 54.840 -0.159 0.000 0.752 270 L CB -0.361 41.551 42.059 -0.244 0.000 0.906 270 L HN 0.175 nan 8.230 nan 0.000 0.436 271 Q N 0.628 120.314 119.800 -0.190 0.000 2.062 271 Q HA -0.283 4.056 4.340 -0.001 0.000 0.209 271 Q C 2.187 178.130 176.000 -0.094 0.000 0.996 271 Q CA 2.009 57.739 55.803 -0.121 0.000 0.859 271 Q CB 0.066 28.791 28.738 -0.022 0.000 0.920 271 Q HN 0.433 nan 8.270 nan 0.000 0.415 272 K N -0.519 119.834 120.400 -0.079 0.000 2.057 272 K HA -0.064 4.256 4.320 -0.001 0.000 0.206 272 K C 1.980 178.538 176.600 -0.070 0.000 1.050 272 K CA 0.978 57.223 56.287 -0.070 0.000 0.935 272 K CB -0.107 32.359 32.500 -0.056 0.000 0.715 272 K HN 0.215 nan 8.250 nan 0.000 0.439 273 A N 0.845 123.621 122.820 -0.075 0.000 2.121 273 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 273 A C 2.021 179.559 177.584 -0.076 0.000 1.154 273 A CA 0.949 52.941 52.037 -0.075 0.000 0.679 273 A CB -0.070 18.881 19.000 -0.082 0.000 0.795 273 A HN 0.145 nan 8.150 nan 0.000 0.458 274 V N -1.481 118.386 119.914 -0.079 0.000 3.661 274 V HA 0.441 4.561 4.120 -0.001 0.000 0.271 274 V C 0.956 177.015 176.094 -0.059 0.000 1.315 274 V CA 1.211 63.469 62.300 -0.070 0.000 1.072 274 V CB -0.455 31.320 31.823 -0.078 0.000 0.830 274 V HN 1.277 nan 8.190 nan 0.000 0.443 275 G N 0.985 109.747 108.800 -0.062 0.000 2.705 275 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.686 275 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.686 275 G C -1.586 173.279 174.900 -0.059 0.000 1.285 275 G CA -0.150 44.916 45.100 -0.057 0.000 0.800 275 G HN 0.169 nan 8.290 nan 0.000 0.611 276 P HA -0.088 nan 4.420 nan 0.000 0.218 276 P C 1.297 178.568 177.300 -0.047 0.000 1.149 276 P CA 1.781 64.840 63.100 -0.069 0.000 0.817 276 P CB 0.173 31.829 31.700 -0.073 0.000 0.785 277 E N 0.123 120.303 120.200 -0.034 0.000 2.028 277 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 277 E C 2.277 178.872 176.600 -0.009 0.000 0.988 277 E CA 0.933 57.321 56.400 -0.020 0.000 0.799 277 E CB -0.533 29.157 29.700 -0.017 0.000 0.755 277 E HN 0.232 nan 8.360 nan 0.000 0.447 278 I N 1.329 121.892 120.570 -0.012 0.000 2.454 278 I HA -0.236 3.933 4.170 -0.001 0.000 0.254 278 I C 2.237 178.359 176.117 0.010 0.000 1.156 278 I CA 0.980 62.278 61.300 -0.003 0.000 1.433 278 I CB -0.414 37.577 38.000 -0.015 0.000 1.082 278 I HN 0.145 nan 8.210 nan 0.000 0.432 279 T N 0.367 114.921 114.554 -0.001 0.000 2.777 279 T HA -0.208 4.141 4.350 -0.001 0.000 0.266 279 T C 1.960 176.709 174.700 0.081 0.000 1.040 279 T CA 1.321 63.441 62.100 0.033 0.000 1.141 279 T CB -0.119 68.733 68.868 -0.027 0.000 0.868 279 T HN 0.329 nan 8.240 nan 0.000 0.444 280 K N 0.311 120.732 120.400 0.035 0.000 2.103 280 K HA -0.076 4.243 4.320 -0.001 0.000 0.204 280 K C 2.275 178.915 176.600 0.067 0.000 1.052 280 K CA 1.232 57.548 56.287 0.049 0.000 0.945 280 K CB -0.109 32.399 32.500 0.013 0.000 0.722 280 K HN 0.195 nan 8.250 nan 0.000 0.443 281 T N 1.199 115.782 114.554 0.049 0.000 2.668 281 T HA -0.078 4.272 4.350 -0.001 0.000 0.258 281 T C 1.194 175.935 174.700 0.067 0.000 1.051 281 T CA 1.504 63.633 62.100 0.049 0.000 1.155 281 T CB -0.143 68.743 68.868 0.031 0.000 0.864 281 T HN 0.312 nan 8.240 nan 0.000 0.413 282 D N 0.658 121.098 120.400 0.067 0.000 2.259 282 D HA 0.154 4.794 4.640 -0.001 0.000 0.216 282 D C 2.275 178.649 176.300 0.123 0.000 0.961 282 D CA 0.460 54.508 54.000 0.079 0.000 0.878 282 D CB 0.020 40.850 40.800 0.051 0.000 1.009 282 D HN 0.255 nan 8.370 nan 0.000 0.490 283 L N 1.197 122.498 121.223 0.131 0.000 2.156 283 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 283 L C 2.599 179.707 176.870 0.396 0.000 1.095 283 L CA 0.501 55.467 54.840 0.210 0.000 0.770 283 L CB -0.393 41.697 42.059 0.051 0.000 0.914 283 L HN -0.098 nan 8.230 nan 0.000 0.439 284 V N 0.439 120.575 119.914 0.370 0.000 2.287 284 V HA -0.165 3.955 4.120 -0.001 0.000 0.248 284 V C -0.114 176.148 176.094 0.281 0.000 1.053 284 V CA 2.005 64.542 62.300 0.394 0.000 1.027 284 V CB -1.634 30.371 31.823 0.303 0.000 0.646 284 V HN 0.342 nan 8.190 nan 0.000 0.447 285 P HA -0.106 nan 4.420 nan 0.000 0.216 285 P C 1.723 179.103 177.300 0.133 0.000 1.153 285 P CA 1.924 65.106 63.100 0.136 0.000 0.848 285 P CB -0.152 31.612 31.700 0.106 0.000 0.787 286 A N -1.089 121.847 122.820 0.194 0.000 1.902 286 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 286 A C 2.099 179.761 177.584 0.129 0.000 1.181 286 A CA 1.329 53.486 52.037 0.200 0.000 0.623 286 A CB -1.865 17.327 19.000 0.321 0.000 0.818 286 A HN 0.087 nan 8.150 nan 0.000 0.443 287 F N 1.125 121.028 119.950 -0.077 0.000 2.126 287 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 287 F C 2.557 178.184 175.800 -0.288 0.000 1.096 287 F CA 2.000 59.700 58.000 -0.500 0.000 1.255 287 F CB -0.603 38.026 39.000 -0.617 0.000 0.997 287 F HN 0.393 nan 8.300 nan 0.000 0.479 288 Q N -0.364 119.382 119.800 -0.091 0.000 2.084 288 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 288 Q C 1.900 177.806 176.000 -0.157 0.000 0.978 288 Q CA 1.535 57.249 55.803 -0.149 0.000 0.844 288 Q CB -0.507 28.215 28.738 -0.028 0.000 0.898 288 Q HN 0.401 nan 8.270 nan 0.000 0.426 289 N N 0.921 119.570 118.700 -0.085 0.000 2.166 289 N HA -0.104 4.635 4.740 -0.001 0.000 0.186 289 N C 1.856 177.303 175.510 -0.104 0.000 1.019 289 N CA 0.999 54.011 53.050 -0.064 0.000 0.856 289 N CB -0.194 38.289 38.487 -0.006 0.000 0.993 289 N HN 0.233 nan 8.380 nan 0.000 0.426 290 L N 0.196 121.317 121.223 -0.169 0.000 2.109 290 L HA 0.029 4.368 4.340 -0.001 0.000 0.207 290 L C 2.126 178.846 176.870 -0.250 0.000 1.086 290 L CA 0.738 55.464 54.840 -0.191 0.000 0.760 290 L CB -0.264 41.641 42.059 -0.257 0.000 0.910 290 L HN 0.106 nan 8.230 nan 0.000 0.437 291 M N -0.713 118.658 119.600 -0.383 0.000 2.630 291 M HA -0.104 4.375 4.480 -0.001 0.000 0.254 291 M C 1.224 177.404 176.300 -0.201 0.000 1.092 291 M CA 1.306 56.393 55.300 -0.355 0.000 1.087 291 M CB 0.070 32.375 32.600 -0.491 0.000 1.453 291 M HN 0.109 nan 8.290 nan 0.000 0.509 292 K N -0.595 119.713 120.400 -0.153 0.000 2.387 292 K HA 0.102 4.422 4.320 -0.001 0.000 0.203 292 K C 0.019 176.581 176.600 -0.062 0.000 1.030 292 K CA -0.189 56.041 56.287 -0.094 0.000 1.099 292 K CB 0.471 32.925 32.500 -0.077 0.000 0.863 292 K HN 0.173 nan 8.250 nan 0.000 0.529 293 D N 0.969 121.334 120.400 -0.058 0.000 2.478 293 D HA -0.092 4.548 4.640 -0.001 0.000 0.234 293 D C 1.277 177.563 176.300 -0.023 0.000 1.154 293 D CA 0.086 54.074 54.000 -0.019 0.000 0.874 293 D CB 1.051 41.858 40.800 0.011 0.000 1.198 293 D HN 0.286 nan 8.370 nan 0.000 0.455 294 C N 2.109 121.399 119.300 -0.016 0.000 2.446 294 C HA 0.104 4.563 4.460 -0.001 0.000 0.279 294 C C 0.687 175.640 174.990 -0.063 0.000 1.366 294 C CA -0.486 58.511 59.018 -0.035 0.000 1.763 294 C CB -0.543 27.179 27.740 -0.030 0.000 1.929 294 C HN 0.449 nan 8.230 nan 0.000 0.509 295 E N 1.484 121.645 120.200 -0.065 0.000 2.152 295 E HA 0.401 4.751 4.350 -0.001 0.000 0.285 295 E C 1.026 177.576 176.600 -0.084 0.000 1.043 295 E CA 0.460 56.772 56.400 -0.148 0.000 0.839 295 E CB 1.205 30.774 29.700 -0.217 0.000 1.069 295 E HN 0.489 nan 8.360 nan 0.000 0.399 296 A N 3.875 126.636 122.820 -0.097 0.000 2.024 296 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 296 A C 1.872 179.522 177.584 0.109 0.000 1.164 296 A CA 1.420 53.456 52.037 -0.003 0.000 0.643 296 A CB -0.182 18.813 19.000 -0.007 0.000 0.806 296 A HN 0.496 nan 8.150 nan 0.000 0.451 297 E N -0.403 119.824 120.200 0.044 0.000 2.038 297 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 297 E C 2.040 178.886 176.600 0.410 0.000 1.000 297 E CA 1.470 58.029 56.400 0.265 0.000 0.803 297 E CB -0.400 29.372 29.700 0.122 0.000 0.750 297 E HN 0.340 nan 8.360 nan 0.000 0.448 298 V N 0.880 120.999 119.914 0.343 0.000 2.295 298 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 298 V C 2.205 178.338 176.094 0.066 0.000 1.049 298 V CA 2.029 64.485 62.300 0.259 0.000 1.024 298 V CB -0.485 31.479 31.823 0.236 0.000 0.648 298 V HN 0.226 nan 8.190 nan 0.000 0.447 299 R N 0.382 120.898 120.500 0.027 0.000 2.091 299 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 299 R C 2.422 178.686 176.300 -0.059 0.000 1.136 299 R CA 1.636 57.703 56.100 -0.055 0.000 0.959 299 R CB -0.713 29.556 30.300 -0.051 0.000 0.856 299 R HN 0.543 nan 8.270 nan 0.000 0.437 300 A N 1.265 124.083 122.820 -0.003 0.000 1.930 300 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 300 A C 2.383 179.939 177.584 -0.046 0.000 1.175 300 A CA 1.506 53.505 52.037 -0.063 0.000 0.627 300 A CB -0.465 18.426 19.000 -0.181 0.000 0.815 300 A HN 0.396 nan 8.150 nan 0.000 0.443 301 A N -0.024 122.787 122.820 -0.015 0.000 1.873 301 A HA 0.193 4.512 4.320 -0.001 0.000 0.215 301 A C 2.513 180.081 177.584 -0.026 0.000 1.186 301 A CA 1.978 53.975 52.037 -0.067 0.000 0.616 301 A CB -1.036 17.779 19.000 -0.308 0.000 0.823 301 A HN 1.004 nan 8.150 nan 0.000 0.442 302 A N -0.161 122.607 122.820 -0.086 0.000 1.877 302 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 302 A C 2.439 179.979 177.584 -0.074 0.000 1.186 302 A CA 2.204 54.161 52.037 -0.134 0.000 0.620 302 A CB -0.994 17.794 19.000 -0.354 0.000 0.822 302 A HN 0.498 nan 8.150 nan 0.000 0.443 303 S N -0.899 114.744 115.700 -0.096 0.000 2.370 303 S HA -0.224 4.245 4.470 -0.001 0.000 0.226 303 S C 1.893 176.544 174.600 0.084 0.000 1.033 303 S CA 1.625 59.803 58.200 -0.036 0.000 1.011 303 S CB -0.608 62.567 63.200 -0.042 0.000 0.852 303 S HN 0.795 nan 8.310 nan 0.000 0.457 304 H N 1.812 120.875 119.070 -0.011 0.000 2.422 304 H HA 0.033 4.588 4.556 -0.001 0.000 0.298 304 H C 1.638 177.003 175.328 0.062 0.000 1.098 304 H CA 1.312 57.367 56.048 0.011 0.000 1.315 304 H CB 0.044 29.797 29.762 -0.015 0.000 1.382 304 H HN 0.059 nan 8.280 nan 0.000 0.523 305 K N -0.082 120.372 120.400 0.090 0.000 2.459 305 K HA 0.030 4.350 4.320 -0.001 0.000 0.193 305 K C 2.146 178.844 176.600 0.163 0.000 1.030 305 K CA 0.391 56.730 56.287 0.087 0.000 1.026 305 K CB -0.108 32.467 32.500 0.125 0.000 0.809 305 K HN 0.190 nan 8.250 nan 0.000 0.504 306 V N 2.015 122.093 119.914 0.274 0.000 2.222 306 V HA -0.343 3.777 4.120 -0.001 0.000 0.252 306 V C 2.603 178.812 176.094 0.193 0.000 1.060 306 V CA 2.225 64.722 62.300 0.327 0.000 1.027 306 V CB -0.425 31.535 31.823 0.229 0.000 0.644 306 V HN 0.397 nan 8.190 nan 0.000 0.448 307 K N -0.256 120.198 120.400 0.090 0.000 2.026 307 K HA -0.273 4.047 4.320 -0.001 0.000 0.208 307 K C 2.260 178.881 176.600 0.035 0.000 1.048 307 K CA 2.208 58.524 56.287 0.048 0.000 0.929 307 K CB -0.258 32.245 32.500 0.005 0.000 0.713 307 K HN 0.575 nan 8.250 nan 0.000 0.439 308 E N -0.541 119.673 120.200 0.023 0.000 2.118 308 E HA -0.213 4.137 4.350 -0.001 0.000 0.195 308 E C 1.843 178.469 176.600 0.044 0.000 0.992 308 E CA 1.158 57.568 56.400 0.016 0.000 0.804 308 E CB -0.160 29.543 29.700 0.006 0.000 0.741 308 E HN 0.347 nan 8.360 nan 0.000 0.458 309 F N 0.569 120.457 119.950 -0.104 0.000 2.113 309 F HA -0.203 4.324 4.527 -0.001 0.000 0.297 309 F C 2.200 177.936 175.800 -0.108 0.000 1.103 309 F CA 1.242 59.145 58.000 -0.161 0.000 1.248 309 F CB -0.541 38.221 39.000 -0.397 0.000 0.999 309 F HN 0.129 nan 8.300 nan 0.000 0.475 310 C N 0.685 119.958 119.300 -0.044 0.000 2.422 310 C HA -0.144 4.316 4.460 -0.001 0.000 0.279 310 C C 2.596 177.502 174.990 -0.140 0.000 1.305 310 C CA 1.156 60.107 59.018 -0.112 0.000 1.757 310 C CB -1.281 26.471 27.740 0.020 0.000 1.962 310 C HN 0.528 nan 8.230 nan 0.000 0.499 311 E N 1.107 121.247 120.200 -0.100 0.000 2.047 311 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 311 E C 1.435 177.957 176.600 -0.129 0.000 0.987 311 E CA 0.921 57.267 56.400 -0.090 0.000 0.799 311 E CB -0.290 29.375 29.700 -0.059 0.000 0.752 311 E HN 0.592 nan 8.360 nan 0.000 0.449 312 N N 0.711 119.308 118.700 -0.171 0.000 2.571 312 N HA -0.001 4.739 4.740 -0.001 0.000 0.189 312 N C 0.210 175.566 175.510 -0.256 0.000 1.154 312 N CA 0.406 53.341 53.050 -0.191 0.000 0.907 312 N CB -0.086 38.294 38.487 -0.179 0.000 0.977 312 N HN 0.111 nan 8.380 nan 0.000 0.449 313 L N 1.105 122.144 121.223 -0.306 0.000 2.461 313 L HA 0.037 4.377 4.340 -0.001 0.000 0.272 313 L C 0.753 177.520 176.870 -0.172 0.000 1.197 313 L CA -0.426 54.238 54.840 -0.293 0.000 0.836 313 L CB 0.334 42.223 42.059 -0.283 0.000 1.105 313 L HN 0.091 nan 8.230 nan 0.000 0.477 314 S N 1.805 117.420 115.700 -0.141 0.000 2.629 314 S HA 0.028 4.497 4.470 -0.001 0.000 0.302 314 S C 1.223 175.776 174.600 -0.079 0.000 1.244 314 S CA -0.223 57.921 58.200 -0.095 0.000 1.098 314 S CB 1.038 64.193 63.200 -0.074 0.000 0.858 314 S HN 0.749 nan 8.310 nan 0.000 0.502 315 A N 3.329 126.109 122.820 -0.068 0.000 1.958 315 A HA -0.237 4.082 4.320 -0.001 0.000 0.221 315 A C 1.768 179.325 177.584 -0.045 0.000 1.178 315 A CA 2.198 54.202 52.037 -0.054 0.000 0.642 315 A CB -1.358 17.615 19.000 -0.046 0.000 0.816 315 A HN 1.025 nan 8.150 nan 0.000 0.453 316 D N 0.104 120.478 120.400 -0.043 0.000 2.564 316 D HA -0.245 4.394 4.640 -0.001 0.000 0.209 316 D C 1.250 177.531 176.300 -0.031 0.000 1.075 316 D CA 2.705 56.685 54.000 -0.034 0.000 0.922 316 D CB -0.534 40.245 40.800 -0.035 0.000 1.186 316 D HN 0.725 nan 8.370 nan 0.000 0.487 317 C N -0.017 119.262 119.300 -0.034 0.000 2.667 317 C HA 0.603 5.063 4.460 -0.001 0.000 0.261 317 C C 1.569 176.539 174.990 -0.033 0.000 1.590 317 C CA -0.914 58.088 59.018 -0.027 0.000 1.668 317 C CB -1.030 26.698 27.740 -0.019 0.000 2.962 317 C HN 0.362 nan 8.230 nan 0.000 0.525 318 R N 2.339 122.812 120.500 -0.045 0.000 2.107 318 R HA -0.168 4.172 4.340 -0.001 0.000 0.223 318 R C 2.073 178.351 176.300 -0.037 0.000 1.138 318 R CA 2.171 58.237 56.100 -0.057 0.000 0.900 318 R CB -0.663 29.598 30.300 -0.066 0.000 0.814 318 R HN 0.669 nan 8.270 nan 0.000 0.437 319 E N -0.110 120.072 120.200 -0.030 0.000 2.370 319 E HA -0.282 4.068 4.350 -0.001 0.000 0.205 319 E C 1.528 178.119 176.600 -0.015 0.000 1.037 319 E CA 1.407 57.796 56.400 -0.019 0.000 0.845 319 E CB -0.119 29.573 29.700 -0.013 0.000 0.753 319 E HN 0.399 nan 8.360 nan 0.000 0.507 320 N N -0.155 118.537 118.700 -0.014 0.000 2.387 320 N HA -0.102 4.637 4.740 -0.001 0.000 0.176 320 N C 2.038 177.547 175.510 -0.002 0.000 1.022 320 N CA 1.226 54.270 53.050 -0.009 0.000 0.883 320 N CB 0.298 38.781 38.487 -0.006 0.000 1.019 320 N HN 0.209 nan 8.380 nan 0.000 0.435 321 V N -0.331 119.585 119.914 0.004 0.000 2.515 321 V HA -0.099 4.021 4.120 -0.001 0.000 0.250 321 V C 2.311 178.430 176.094 0.041 0.000 1.058 321 V CA 1.055 63.372 62.300 0.028 0.000 1.064 321 V CB -0.740 31.104 31.823 0.034 0.000 0.675 321 V HN 0.109 nan 8.190 nan 0.000 0.461 322 I N -0.276 120.309 120.570 0.024 0.000 2.113 322 I HA -0.190 3.979 4.170 -0.001 0.000 0.238 322 I C 2.885 179.004 176.117 0.003 0.000 1.070 322 I CA 2.077 63.396 61.300 0.032 0.000 1.332 322 I CB -0.431 37.578 38.000 0.015 0.000 1.044 322 I HN 0.276 nan 8.210 nan 0.000 0.402 323 M N -0.304 119.276 119.600 -0.034 0.000 2.213 323 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 323 M C 2.437 178.701 176.300 -0.061 0.000 1.062 323 M CA 1.541 56.787 55.300 -0.090 0.000 1.105 323 M CB -1.451 31.080 32.600 -0.116 0.000 1.385 323 M HN 0.199 nan 8.290 nan 0.000 0.417 324 S N -0.793 114.894 115.700 -0.021 0.000 2.427 324 S HA 0.003 4.473 4.470 -0.001 0.000 0.224 324 S C 1.822 176.431 174.600 0.016 0.000 1.047 324 S CA 0.514 58.711 58.200 -0.005 0.000 0.953 324 S CB 0.299 63.500 63.200 0.003 0.000 0.824 324 S HN 0.411 nan 8.310 nan 0.000 0.502 325 Q N -0.259 119.565 119.800 0.041 0.000 2.394 325 Q HA 0.285 4.624 4.340 -0.001 0.000 0.218 325 Q C 1.498 177.550 176.000 0.086 0.000 0.907 325 Q CA 0.487 56.332 55.803 0.069 0.000 0.919 325 Q CB -0.052 28.749 28.738 0.105 0.000 1.051 325 Q HN 0.467 nan 8.270 nan 0.000 0.538 326 I N 0.115 120.744 120.570 0.099 0.000 2.681 326 I HA -0.097 4.072 4.170 -0.001 0.000 0.247 326 I C 2.016 178.164 176.117 0.051 0.000 1.091 326 I CA 0.310 61.679 61.300 0.116 0.000 1.442 326 I CB -0.729 37.388 38.000 0.195 0.000 1.219 326 I HN 0.044 nan 8.210 nan 0.000 0.451 327 L N 1.634 122.874 121.223 0.029 0.000 2.064 327 L HA -0.208 4.132 4.340 -0.001 0.000 0.216 327 L C -0.652 176.216 176.870 -0.005 0.000 1.077 327 L CA 2.570 57.411 54.840 0.001 0.000 0.766 327 L CB -1.720 40.309 42.059 -0.049 0.000 0.890 327 L HN 0.146 nan 8.230 nan 0.000 0.435 328 P HA -0.160 nan 4.420 nan 0.000 0.212 328 P C 2.034 179.324 177.300 -0.017 0.000 1.178 328 P CA 2.107 65.201 63.100 -0.011 0.000 0.915 328 P CB -0.216 31.478 31.700 -0.009 0.000 0.788 329 C N -0.989 118.295 119.300 -0.028 0.000 2.375 329 C HA -0.207 4.253 4.460 -0.001 0.000 0.274 329 C C 2.677 177.633 174.990 -0.057 0.000 1.190 329 C CA 0.832 59.814 59.018 -0.060 0.000 1.775 329 C CB -1.907 25.772 27.740 -0.102 0.000 2.067 329 C HN 0.211 nan 8.230 nan 0.000 0.463 330 I N 0.506 121.056 120.570 -0.033 0.000 2.127 330 I HA -0.281 3.889 4.170 -0.001 0.000 0.241 330 I C 2.544 178.655 176.117 -0.010 0.000 1.075 330 I CA 1.789 63.078 61.300 -0.018 0.000 1.334 330 I CB -0.537 37.471 38.000 0.013 0.000 1.040 330 I HN 0.415 nan 8.210 nan 0.000 0.405 331 K N 0.372 120.771 120.400 -0.000 0.000 2.127 331 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 331 K C 2.009 178.606 176.600 -0.005 0.000 1.047 331 K CA 1.391 57.682 56.287 0.006 0.000 0.927 331 K CB -0.126 32.381 32.500 0.012 0.000 0.716 331 K HN 0.351 nan 8.250 nan 0.000 0.450 332 E N 0.890 121.079 120.200 -0.018 0.000 2.028 332 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 332 E C 2.166 178.749 176.600 -0.029 0.000 0.988 332 E CA 0.975 57.360 56.400 -0.025 0.000 0.799 332 E CB -0.281 29.397 29.700 -0.037 0.000 0.755 332 E HN 0.313 nan 8.360 nan 0.000 0.447 333 L N 0.924 122.124 121.223 -0.039 0.000 2.127 333 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 333 L C 2.516 179.371 176.870 -0.024 0.000 1.089 333 L CA 0.541 55.356 54.840 -0.041 0.000 0.757 333 L CB -0.464 41.561 42.059 -0.057 0.000 0.899 333 L HN -0.032 nan 8.230 nan 0.000 0.434 334 V N -1.010 118.896 119.914 -0.014 0.000 2.594 334 V HA -0.225 3.894 4.120 -0.001 0.000 0.253 334 V C 2.051 178.140 176.094 -0.009 0.000 1.069 334 V CA 1.921 64.217 62.300 -0.006 0.000 1.082 334 V CB -0.235 31.590 31.823 0.004 0.000 0.680 334 V HN 0.410 nan 8.190 nan 0.000 0.469 335 S N -1.589 114.104 115.700 -0.012 0.000 2.556 335 S HA 0.068 4.538 4.470 -0.001 0.000 0.216 335 S C 0.727 175.317 174.600 -0.016 0.000 0.970 335 S CA -0.321 57.872 58.200 -0.013 0.000 0.912 335 S CB -0.239 62.954 63.200 -0.011 0.000 0.790 335 S HN 0.663 nan 8.310 nan 0.000 0.504 336 D N 1.539 121.928 120.400 -0.019 0.000 2.429 336 D HA 0.053 4.692 4.640 -0.001 0.000 0.233 336 D C 1.215 177.506 176.300 -0.016 0.000 1.202 336 D CA 0.472 54.460 54.000 -0.021 0.000 0.879 336 D CB 0.813 41.599 40.800 -0.024 0.000 1.212 336 D HN 0.212 nan 8.370 nan 0.000 0.465 337 A N 3.438 126.248 122.820 -0.017 0.000 1.855 337 A HA -0.098 4.222 4.320 -0.001 0.000 0.213 337 A C 1.041 178.620 177.584 -0.009 0.000 1.195 337 A CA 0.565 52.593 52.037 -0.016 0.000 0.610 337 A CB -0.414 18.573 19.000 -0.021 0.000 0.837 337 A HN 0.675 nan 8.150 nan 0.000 0.444 338 N N 0.987 119.685 118.700 -0.004 0.000 2.440 338 N HA 0.144 4.884 4.740 -0.001 0.000 0.265 338 N C 0.718 176.248 175.510 0.032 0.000 1.239 338 N CA 0.150 53.210 53.050 0.017 0.000 0.909 338 N CB 0.659 39.167 38.487 0.035 0.000 1.066 338 N HN 0.420 nan 8.380 nan 0.000 0.474 339 Q N 0.808 120.631 119.800 0.037 0.000 2.435 339 Q HA -0.162 4.178 4.340 -0.001 0.000 0.207 339 Q C 0.831 176.869 176.000 0.063 0.000 0.956 339 Q CA 0.624 56.448 55.803 0.034 0.000 0.917 339 Q CB -0.003 28.749 28.738 0.023 0.000 0.997 339 Q HN 0.686 nan 8.270 nan 0.000 0.497 340 H N 0.663 119.720 119.070 -0.021 0.000 2.353 340 H HA -0.088 4.468 4.556 -0.001 0.000 0.300 340 H C 1.788 177.109 175.328 -0.012 0.000 1.090 340 H CA 1.564 57.601 56.048 -0.017 0.000 1.327 340 H CB 0.049 29.798 29.762 -0.023 0.000 1.383 340 H HN -0.028 nan 8.280 nan 0.000 0.508 341 V N 0.926 120.845 119.914 0.008 0.000 2.255 341 V HA -0.191 3.929 4.120 -0.001 0.000 0.243 341 V C 2.324 178.387 176.094 -0.051 0.000 1.038 341 V CA 2.035 64.302 62.300 -0.055 0.000 1.008 341 V CB -0.451 31.364 31.823 -0.013 0.000 0.645 341 V HN 0.384 nan 8.190 nan 0.000 0.449 342 K N 0.187 120.574 120.400 -0.022 0.000 2.127 342 K HA -0.246 4.074 4.320 -0.001 0.000 0.208 342 K C 2.485 179.074 176.600 -0.018 0.000 1.047 342 K CA 1.839 58.116 56.287 -0.016 0.000 0.927 342 K CB -0.461 32.035 32.500 -0.008 0.000 0.716 342 K HN 0.383 nan 8.250 nan 0.000 0.450 343 S N 0.455 116.137 115.700 -0.029 0.000 2.353 343 S HA -0.194 4.276 4.470 -0.001 0.000 0.222 343 S C 2.078 176.656 174.600 -0.037 0.000 1.035 343 S CA 1.414 59.594 58.200 -0.033 0.000 1.025 343 S CB -0.219 62.954 63.200 -0.045 0.000 0.902 343 S HN 0.434 nan 8.310 nan 0.000 0.440 344 A N 1.161 123.933 122.820 -0.081 0.000 1.877 344 A HA -0.042 4.278 4.320 -0.001 0.000 0.216 344 A C 2.156 179.785 177.584 0.075 0.000 1.186 344 A CA 1.742 53.764 52.037 -0.026 0.000 0.620 344 A CB -0.910 18.034 19.000 -0.094 0.000 0.822 344 A HN 0.554 nan 8.150 nan 0.000 0.443 345 L N -0.184 121.055 121.223 0.027 0.000 2.017 345 L HA -0.025 4.314 4.340 -0.001 0.000 0.208 345 L C 2.641 179.537 176.870 0.044 0.000 1.073 345 L CA 2.265 57.126 54.840 0.035 0.000 0.745 345 L CB -0.897 41.167 42.059 0.009 0.000 0.894 345 L HN 0.332 nan 8.230 nan 0.000 0.432 346 A N -0.893 121.947 122.820 0.033 0.000 1.978 346 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 346 A C 2.307 179.920 177.584 0.048 0.000 1.170 346 A CA 1.739 53.799 52.037 0.038 0.000 0.636 346 A CB -1.094 17.919 19.000 0.022 0.000 0.810 346 A HN 0.674 nan 8.150 nan 0.000 0.448 347 S N -0.951 114.786 115.700 0.062 0.000 2.660 347 S HA 0.179 4.648 4.470 -0.001 0.000 0.223 347 S C 0.960 175.604 174.600 0.072 0.000 0.963 347 S CA 0.916 59.162 58.200 0.076 0.000 0.932 347 S CB -0.261 63.002 63.200 0.106 0.000 0.775 347 S HN 1.298 nan 8.310 nan 0.000 0.531 348 V N -3.765 116.179 119.914 0.052 0.000 3.188 348 V HA 0.379 4.499 4.120 -0.001 0.000 0.258 348 V C 1.464 177.571 176.094 0.022 0.000 1.702 348 V CA 0.086 62.396 62.300 0.017 0.000 1.020 348 V CB -0.961 30.843 31.823 -0.033 0.000 0.884 348 V HN 0.319 nan 8.190 nan 0.000 0.399 349 I N 0.607 121.201 120.570 0.039 0.000 2.113 349 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 349 I C 2.432 178.570 176.117 0.035 0.000 1.064 349 I CA 2.303 63.630 61.300 0.044 0.000 1.320 349 I CB 0.078 38.112 38.000 0.055 0.000 1.028 349 I HN 0.270 nan 8.210 nan 0.000 0.406 350 M N 0.465 120.084 119.600 0.031 0.000 2.632 350 M HA -0.054 4.426 4.480 -0.001 0.000 0.256 350 M C 1.990 178.279 176.300 -0.018 0.000 1.080 350 M CA 1.014 56.313 55.300 -0.001 0.000 1.084 350 M CB -1.706 30.881 32.600 -0.022 0.000 1.439 350 M HN 0.375 nan 8.290 nan 0.000 0.509 351 G N -0.404 108.393 108.800 -0.005 0.000 2.679 351 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.212 351 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.212 351 G C 1.458 176.353 174.900 -0.009 0.000 1.137 351 G CA 0.067 45.160 45.100 -0.012 0.000 0.787 351 G HN 0.452 nan 8.290 nan 0.000 0.534 352 L N 0.492 121.716 121.223 0.000 0.000 2.554 352 L HA 0.062 4.402 4.340 -0.001 0.000 0.226 352 L C 2.753 179.621 176.870 -0.004 0.000 1.137 352 L CA -0.032 54.812 54.840 0.006 0.000 0.863 352 L CB -0.079 41.996 42.059 0.026 0.000 0.985 352 L HN 0.104 nan 8.230 nan 0.000 0.451 353 S N 1.117 116.805 115.700 -0.019 0.000 2.351 353 S HA -0.103 4.367 4.470 -0.001 0.000 0.220 353 S C -0.319 174.266 174.600 -0.026 0.000 1.035 353 S CA 1.702 59.884 58.200 -0.030 0.000 1.031 353 S CB -1.131 62.033 63.200 -0.060 0.000 0.928 353 S HN 0.369 nan 8.310 nan 0.000 0.433 354 P HA -0.078 nan 4.420 nan 0.000 0.216 354 P C 1.317 178.604 177.300 -0.021 0.000 1.150 354 P CA 1.175 64.260 63.100 -0.026 0.000 0.837 354 P CB -0.275 31.408 31.700 -0.028 0.000 0.786 355 I N -1.166 119.393 120.570 -0.018 0.000 2.493 355 I HA -0.136 4.033 4.170 -0.001 0.000 0.254 355 I C 2.449 178.559 176.117 -0.011 0.000 1.160 355 I CA 1.098 62.387 61.300 -0.018 0.000 1.445 355 I CB -0.426 37.563 38.000 -0.019 0.000 1.086 355 I HN -0.115 nan 8.210 nan 0.000 0.433 356 L N 0.060 121.281 121.223 -0.002 0.000 2.554 356 L HA 0.316 4.656 4.340 -0.001 0.000 0.225 356 L C 0.873 177.751 176.870 0.013 0.000 1.104 356 L CA 0.129 54.975 54.840 0.011 0.000 0.866 356 L CB -0.043 42.033 42.059 0.028 0.000 1.047 356 L HN 0.424 nan 8.230 nan 0.000 0.468 357 G N 0.958 109.758 108.800 0.000 0.000 2.663 357 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.686 357 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.686 357 G C 0.401 175.296 174.900 -0.009 0.000 1.246 357 G CA -0.001 45.097 45.100 -0.004 0.000 0.795 357 G HN 0.139 nan 8.290 nan 0.000 0.627 358 K N -0.355 120.034 120.400 -0.018 0.000 2.209 358 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 358 K C 1.253 177.838 176.600 -0.025 0.000 1.048 358 K CA 2.085 58.355 56.287 -0.028 0.000 0.940 358 K CB -0.132 32.350 32.500 -0.031 0.000 0.729 358 K HN 0.545 nan 8.250 nan 0.000 0.451 359 D N 0.597 120.989 120.400 -0.013 0.000 2.149 359 D HA -0.054 4.586 4.640 -0.001 0.000 0.206 359 D C 1.656 177.951 176.300 -0.009 0.000 0.967 359 D CA 0.540 54.531 54.000 -0.015 0.000 0.848 359 D CB -0.014 40.782 40.800 -0.007 0.000 0.998 359 D HN 0.258 nan 8.370 nan 0.000 0.474 360 N N 0.659 119.381 118.700 0.036 0.000 2.120 360 N HA -0.100 4.639 4.740 -0.001 0.000 0.188 360 N C 1.828 177.394 175.510 0.093 0.000 1.024 360 N CA 1.006 54.132 53.050 0.127 0.000 0.852 360 N CB -0.433 38.143 38.487 0.149 0.000 1.003 360 N HN 0.106 nan 8.380 nan 0.000 0.424 361 T N 2.230 116.805 114.554 0.036 0.000 2.635 361 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 361 T C 2.103 176.791 174.700 -0.019 0.000 1.040 361 T CA 0.976 63.079 62.100 0.006 0.000 1.156 361 T CB -0.238 68.609 68.868 -0.035 0.000 0.863 361 T HN 0.209 nan 8.240 nan 0.000 0.430 362 I N 0.558 121.103 120.570 -0.043 0.000 2.286 362 I HA -0.136 4.033 4.170 -0.001 0.000 0.248 362 I C 2.680 178.749 176.117 -0.079 0.000 1.115 362 I CA 1.415 62.682 61.300 -0.055 0.000 1.392 362 I CB -0.340 37.628 38.000 -0.053 0.000 1.065 362 I HN 0.338 nan 8.210 nan 0.000 0.418 363 E N -0.315 119.789 120.200 -0.160 0.000 2.250 363 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 363 E C 1.918 178.282 176.600 -0.393 0.000 0.986 363 E CA 0.686 56.894 56.400 -0.319 0.000 0.849 363 E CB 0.278 29.675 29.700 -0.505 0.000 0.797 363 E HN 0.569 nan 8.360 nan 0.000 0.482 364 H N -0.780 118.301 119.070 0.018 0.000 2.501 364 H HA 0.129 4.685 4.556 -0.001 0.000 0.281 364 H C 2.173 177.522 175.328 0.034 0.000 0.988 364 H CA 0.250 56.313 56.048 0.024 0.000 1.232 364 H CB 0.243 30.017 29.762 0.019 0.000 1.455 364 H HN 0.128 nan 8.280 nan 0.000 0.501 365 L N 0.389 121.699 121.223 0.145 0.000 2.095 365 L HA -0.092 4.248 4.340 -0.001 0.000 0.204 365 L C 2.376 179.317 176.870 0.118 0.000 1.080 365 L CA 0.400 55.302 54.840 0.104 0.000 0.759 365 L CB -0.284 41.808 42.059 0.055 0.000 0.914 365 L HN 0.067 nan 8.230 nan 0.000 0.439 366 L N 0.373 121.649 121.223 0.087 0.000 2.089 366 L HA -0.174 4.166 4.340 -0.001 0.000 0.213 366 L C -0.386 176.646 176.870 0.271 0.000 1.079 366 L CA 2.290 57.235 54.840 0.175 0.000 0.758 366 L CB -1.390 40.723 42.059 0.091 0.000 0.891 366 L HN 0.111 nan 8.230 nan 0.000 0.433 367 P HA -0.131 nan 4.420 nan 0.000 0.215 367 P C 2.035 179.396 177.300 0.101 0.000 1.157 367 P CA 1.224 64.389 63.100 0.108 0.000 0.859 367 P CB 0.044 31.787 31.700 0.073 0.000 0.786 368 L N -1.872 119.421 121.223 0.117 0.000 2.042 368 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 368 L C 2.447 179.388 176.870 0.119 0.000 1.076 368 L CA 1.490 56.387 54.840 0.095 0.000 0.749 368 L CB -1.197 40.919 42.059 0.095 0.000 0.893 368 L HN -0.017 nan 8.230 nan 0.000 0.432 369 F N 0.999 120.952 119.950 0.006 0.000 2.120 369 F HA -0.250 4.277 4.527 -0.001 0.000 0.300 369 F C 2.082 177.879 175.800 -0.005 0.000 1.095 369 F CA 1.595 59.593 58.000 -0.003 0.000 1.249 369 F CB -0.349 38.649 39.000 -0.004 0.000 0.995 369 F HN -0.110 nan 8.300 nan 0.000 0.480 370 L N 0.108 121.171 121.223 -0.267 0.000 2.023 370 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 370 L C 2.959 179.701 176.870 -0.213 0.000 1.073 370 L CA 1.063 55.670 54.840 -0.390 0.000 0.745 370 L CB -1.359 40.599 42.059 -0.169 0.000 0.900 370 L HN 0.277 nan 8.230 nan 0.000 0.435 371 A N -0.012 122.751 122.820 -0.095 0.000 1.870 371 A HA -0.340 3.980 4.320 -0.001 0.000 0.219 371 A C 2.190 179.730 177.584 -0.073 0.000 1.224 371 A CA 2.257 54.259 52.037 -0.059 0.000 0.650 371 A CB -0.848 18.140 19.000 -0.020 0.000 0.836 371 A HN 0.519 nan 8.150 nan 0.000 0.454 372 Q N -1.422 118.339 119.800 -0.065 0.000 2.181 372 Q HA -0.141 4.199 4.340 -0.001 0.000 0.205 372 Q C 1.965 177.904 176.000 -0.101 0.000 0.980 372 Q CA 1.265 57.033 55.803 -0.058 0.000 0.862 372 Q CB -0.299 28.427 28.738 -0.020 0.000 0.905 372 Q HN 0.539 nan 8.270 nan 0.000 0.429 373 L N 0.790 121.898 121.223 -0.192 0.000 2.275 373 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 373 L C 0.639 177.419 176.870 -0.150 0.000 1.119 373 L CA 1.718 56.413 54.840 -0.243 0.000 0.790 373 L CB 0.165 41.934 42.059 -0.483 0.000 0.919 373 L HN -0.051 nan 8.230 nan 0.000 0.443 374 K N -0.531 119.801 120.400 -0.114 0.000 2.861 374 K HA 0.174 4.494 4.320 -0.001 0.000 0.210 374 K C -0.432 176.145 176.600 -0.039 0.000 1.112 374 K CA -0.218 56.033 56.287 -0.060 0.000 1.076 374 K CB 0.414 32.878 32.500 -0.059 0.000 0.853 374 K HN 0.138 nan 8.250 nan 0.000 0.463 375 D N 0.699 121.076 120.400 -0.037 0.000 2.348 375 D HA 0.042 4.682 4.640 -0.001 0.000 0.249 375 D C 1.152 177.445 176.300 -0.011 0.000 1.110 375 D CA -0.145 53.841 54.000 -0.023 0.000 0.967 375 D CB 1.111 41.898 40.800 -0.023 0.000 1.139 375 D HN -0.096 nan 8.370 nan 0.000 0.466 376 E N 0.504 120.698 120.200 -0.010 0.000 2.007 376 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 376 E C 0.503 177.102 176.600 -0.002 0.000 0.999 376 E CA 0.564 56.959 56.400 -0.008 0.000 0.811 376 E CB -0.621 29.072 29.700 -0.011 0.000 0.762 376 E HN 0.401 nan 8.360 nan 0.000 0.450 377 C N 3.502 122.801 119.300 -0.001 0.000 2.638 377 C HA 0.014 4.473 4.460 -0.001 0.000 0.400 377 C C -1.370 173.629 174.990 0.016 0.000 1.421 377 C CA -1.252 57.769 59.018 0.005 0.000 1.492 377 C CB -0.448 27.296 27.740 0.006 0.000 2.372 377 C HN 0.135 nan 8.230 nan 0.000 0.618 378 P HA -0.088 nan 4.420 nan 0.000 0.231 378 P C 1.218 178.556 177.300 0.064 0.000 1.158 378 P CA 1.152 64.290 63.100 0.063 0.000 0.763 378 P CB 0.052 31.789 31.700 0.061 0.000 0.805 379 E N -0.684 119.537 120.200 0.036 0.000 2.076 379 E HA -0.063 4.287 4.350 -0.001 0.000 0.190 379 E C 2.049 178.660 176.600 0.019 0.000 0.979 379 E CA 0.968 57.387 56.400 0.032 0.000 0.807 379 E CB -0.867 28.847 29.700 0.024 0.000 0.761 379 E HN 0.134 nan 8.360 nan 0.000 0.454 380 V N 2.421 122.341 119.914 0.010 0.000 2.343 380 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 380 V C 2.666 178.749 176.094 -0.018 0.000 1.051 380 V CA 2.291 64.590 62.300 -0.002 0.000 1.036 380 V CB -0.664 31.156 31.823 -0.005 0.000 0.654 380 V HN 0.289 nan 8.190 nan 0.000 0.451 381 R N -0.251 120.232 120.500 -0.029 0.000 2.148 381 R HA -0.073 4.266 4.340 -0.001 0.000 0.223 381 R C 2.116 178.326 176.300 -0.150 0.000 1.088 381 R CA 1.115 57.160 56.100 -0.091 0.000 0.985 381 R CB -0.365 29.882 30.300 -0.089 0.000 0.880 381 R HN 0.333 nan 8.270 nan 0.000 0.451 382 L N 1.916 123.097 121.223 -0.070 0.000 2.141 382 L HA -0.041 4.298 4.340 -0.001 0.000 0.209 382 L C 1.463 178.312 176.870 -0.034 0.000 1.094 382 L CA 1.499 56.307 54.840 -0.052 0.000 0.763 382 L CB -1.201 40.893 42.059 0.058 0.000 0.908 382 L HN 0.276 nan 8.230 nan 0.000 0.437 383 N N -0.260 118.433 118.700 -0.011 0.000 2.166 383 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 383 N C 1.778 177.296 175.510 0.013 0.000 1.019 383 N CA 1.100 54.156 53.050 0.010 0.000 0.856 383 N CB 0.049 38.547 38.487 0.019 0.000 0.993 383 N HN 0.236 nan 8.380 nan 0.000 0.426 384 I N 1.411 121.983 120.570 0.004 0.000 2.202 384 I HA -0.156 4.014 4.170 -0.001 0.000 0.242 384 I C 2.071 178.213 176.117 0.042 0.000 1.091 384 I CA 0.738 62.068 61.300 0.051 0.000 1.368 384 I CB -0.867 37.164 38.000 0.053 0.000 1.058 384 I HN 0.023 nan 8.210 nan 0.000 0.410 385 I N 0.929 121.469 120.570 -0.049 0.000 2.335 385 I HA -0.205 3.964 4.170 -0.001 0.000 0.251 385 I C 2.340 178.457 176.117 -0.000 0.000 1.129 385 I CA 1.240 62.502 61.300 -0.064 0.000 1.402 385 I CB -1.289 36.551 38.000 -0.267 0.000 1.069 385 I HN 0.168 nan 8.210 nan 0.000 0.424 386 S N 0.807 116.510 115.700 0.005 0.000 2.527 386 S HA 0.067 4.537 4.470 -0.001 0.000 0.222 386 S C 0.859 175.471 174.600 0.020 0.000 0.985 386 S CA 0.272 58.484 58.200 0.020 0.000 0.921 386 S CB -0.108 63.106 63.200 0.023 0.000 0.772 386 S HN 0.473 nan 8.310 nan 0.000 0.529 387 N N 1.058 119.771 118.700 0.021 0.000 2.696 387 N HA 0.340 5.079 4.740 -0.001 0.000 0.308 387 N C -0.044 175.467 175.510 0.001 0.000 1.915 387 N CA 0.012 53.070 53.050 0.013 0.000 0.906 387 N CB 0.902 39.399 38.487 0.017 0.000 1.284 387 N HN 0.250 nan 8.380 nan 0.000 0.488 388 L N -0.448 120.773 121.223 -0.003 0.000 2.354 388 L HA 0.049 4.389 4.340 -0.001 0.000 0.212 388 L C 1.734 178.565 176.870 -0.065 0.000 1.091 388 L CA 0.382 55.200 54.840 -0.037 0.000 0.828 388 L CB 0.077 42.132 42.059 -0.007 0.000 0.973 388 L HN 0.093 nan 8.230 nan 0.000 0.461 389 D N 0.002 120.378 120.400 -0.039 0.000 2.269 389 D HA -0.339 4.301 4.640 -0.001 0.000 0.191 389 D C 2.076 178.342 176.300 -0.057 0.000 1.007 389 D CA 2.076 56.051 54.000 -0.042 0.000 0.855 389 D CB -0.341 40.445 40.800 -0.024 0.000 0.979 389 D HN 0.368 nan 8.370 nan 0.000 0.452 390 C N 0.510 119.779 119.300 -0.051 0.000 2.411 390 C HA -0.088 4.372 4.460 -0.001 0.000 0.279 390 C C 2.906 177.849 174.990 -0.079 0.000 1.288 390 C CA 0.401 59.386 59.018 -0.055 0.000 1.764 390 C CB -0.936 26.778 27.740 -0.043 0.000 1.974 390 C HN 0.159 nan 8.230 nan 0.000 0.498 391 V N 0.733 120.581 119.914 -0.111 0.000 2.548 391 V HA -0.169 3.951 4.120 -0.001 0.000 0.249 391 V C 2.314 178.314 176.094 -0.157 0.000 1.055 391 V CA 2.195 64.399 62.300 -0.161 0.000 1.065 391 V CB -0.864 30.796 31.823 -0.271 0.000 0.681 391 V HN 0.657 nan 8.190 nan 0.000 0.462 392 N N 0.222 118.838 118.700 -0.141 0.000 2.106 392 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 392 N C 1.763 177.212 175.510 -0.100 0.000 1.029 392 N CA 1.385 54.355 53.050 -0.133 0.000 0.848 392 N CB 0.082 38.495 38.487 -0.124 0.000 1.007 392 N HN 0.543 nan 8.380 nan 0.000 0.423 393 E N -0.129 120.024 120.200 -0.078 0.000 2.338 393 E HA -0.078 4.272 4.350 -0.001 0.000 0.197 393 E C 1.815 178.381 176.600 -0.057 0.000 1.007 393 E CA 0.327 56.692 56.400 -0.059 0.000 0.849 393 E CB 0.340 30.013 29.700 -0.045 0.000 0.774 393 E HN 0.198 nan 8.360 nan 0.000 0.506 394 V N 1.486 121.360 119.914 -0.067 0.000 2.284 394 V HA -0.044 4.076 4.120 -0.001 0.000 0.236 394 V C 1.421 177.478 176.094 -0.062 0.000 1.044 394 V CA 1.029 63.294 62.300 -0.059 0.000 1.019 394 V CB -0.294 31.492 31.823 -0.062 0.000 0.657 394 V HN 0.248 nan 8.190 nan 0.000 0.465 395 I N -0.472 120.050 120.570 -0.080 0.000 3.276 395 I HA 0.627 4.797 4.170 -0.001 0.000 0.306 395 I C 0.675 176.744 176.117 -0.080 0.000 1.060 395 I CA -0.219 61.035 61.300 -0.076 0.000 1.133 395 I CB 0.241 38.186 38.000 -0.091 0.000 1.473 395 I HN 0.211 nan 8.210 nan 0.000 0.649 396 G N 0.734 109.491 108.800 -0.071 0.000 2.507 396 G HA2 0.289 4.249 3.960 -0.001 0.000 0.271 396 G HA3 0.289 4.249 3.960 -0.001 0.000 0.271 396 G C 0.370 175.209 174.900 -0.101 0.000 1.189 396 G CA -0.479 44.578 45.100 -0.072 0.000 0.859 396 G HN 0.834 nan 8.290 nan 0.000 0.542 397 I N 0.439 120.940 120.570 -0.114 0.000 2.423 397 I HA -0.187 3.982 4.170 -0.001 0.000 0.254 397 I C 2.654 178.667 176.117 -0.173 0.000 1.151 397 I CA 1.644 62.830 61.300 -0.191 0.000 1.421 397 I CB -0.111 37.775 38.000 -0.191 0.000 1.079 397 I HN 0.714 nan 8.210 nan 0.000 0.431 398 R N -0.694 119.759 120.500 -0.079 0.000 2.080 398 R HA 0.010 4.350 4.340 -0.001 0.000 0.222 398 R C 2.075 178.360 176.300 -0.024 0.000 1.107 398 R CA 0.610 56.694 56.100 -0.026 0.000 0.980 398 R CB -1.057 29.246 30.300 0.004 0.000 0.879 398 R HN 0.287 nan 8.270 nan 0.000 0.439 399 Q N 0.851 120.628 119.800 -0.039 0.000 2.234 399 Q HA -0.107 4.232 4.340 -0.001 0.000 0.206 399 Q C 1.937 177.914 176.000 -0.038 0.000 0.980 399 Q CA 1.179 56.962 55.803 -0.033 0.000 0.869 399 Q CB -0.001 28.711 28.738 -0.044 0.000 0.912 399 Q HN 0.357 nan 8.270 nan 0.000 0.436 400 L N -0.584 120.594 121.223 -0.075 0.000 2.145 400 L HA 0.048 4.387 4.340 -0.001 0.000 0.201 400 L C 2.269 179.131 176.870 -0.013 0.000 1.075 400 L CA 1.520 56.306 54.840 -0.090 0.000 0.773 400 L CB -0.757 41.197 42.059 -0.175 0.000 0.936 400 L HN -0.039 nan 8.230 nan 0.000 0.451 401 S N -0.797 114.872 115.700 -0.051 0.000 2.420 401 S HA -0.301 4.169 4.470 -0.001 0.000 0.237 401 S C 1.997 176.671 174.600 0.123 0.000 1.023 401 S CA 1.781 60.016 58.200 0.057 0.000 0.991 401 S CB -0.342 62.914 63.200 0.094 0.000 0.792 401 S HN 0.688 nan 8.310 nan 0.000 0.488 402 Q N -0.543 119.303 119.800 0.077 0.000 2.432 402 Q HA 0.102 4.442 4.340 -0.001 0.000 0.205 402 Q C 1.786 177.841 176.000 0.092 0.000 0.945 402 Q CA 1.031 56.880 55.803 0.076 0.000 0.924 402 Q CB -0.072 28.695 28.738 0.047 0.000 1.016 402 Q HN 0.529 nan 8.270 nan 0.000 0.503 403 S N -1.019 114.757 115.700 0.127 0.000 2.524 403 S HA 0.070 4.540 4.470 -0.001 0.000 0.222 403 S C 1.244 176.007 174.600 0.271 0.000 1.040 403 S CA -0.092 58.224 58.200 0.194 0.000 0.915 403 S CB 0.265 63.605 63.200 0.234 0.000 0.831 403 S HN 0.440 nan 8.310 nan 0.000 0.492 404 L N 0.827 122.220 121.223 0.283 0.000 2.347 404 L HA 0.496 4.835 4.340 -0.001 0.000 0.196 404 L C 1.778 178.753 176.870 0.175 0.000 1.072 404 L CA 1.149 56.155 54.840 0.276 0.000 0.817 404 L CB -0.991 41.306 42.059 0.397 0.000 1.029 404 L HN 0.280 nan 8.230 nan 0.000 0.478 405 L N 0.849 122.189 121.223 0.197 0.000 2.137 405 L HA -0.131 4.208 4.340 -0.001 0.000 0.213 405 L C -0.648 176.289 176.870 0.110 0.000 1.085 405 L CA 2.217 57.163 54.840 0.175 0.000 0.760 405 L CB -1.583 40.594 42.059 0.197 0.000 0.893 405 L HN 0.244 nan 8.230 nan 0.000 0.434 406 P HA -0.060 nan 4.420 nan 0.000 0.218 406 P C 1.567 178.899 177.300 0.053 0.000 1.152 406 P CA 1.609 64.745 63.100 0.060 0.000 0.826 406 P CB -0.085 31.645 31.700 0.050 0.000 0.790 407 A N -0.482 122.365 122.820 0.045 0.000 1.883 407 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 407 A C 2.174 179.800 177.584 0.069 0.000 1.186 407 A CA 1.502 53.553 52.037 0.023 0.000 0.624 407 A CB -1.630 17.342 19.000 -0.046 0.000 0.822 407 A HN 0.075 nan 8.150 nan 0.000 0.444 408 I N -0.647 119.987 120.570 0.107 0.000 2.072 408 I HA -0.230 3.940 4.170 -0.001 0.000 0.235 408 I C 2.398 178.606 176.117 0.153 0.000 1.058 408 I CA 1.448 62.849 61.300 0.169 0.000 1.320 408 I CB -0.580 37.539 38.000 0.199 0.000 1.047 408 I HN 0.155 nan 8.210 nan 0.000 0.397 409 V N 0.906 120.882 119.914 0.104 0.000 2.317 409 V HA -0.377 3.743 4.120 -0.001 0.000 0.251 409 V C 2.502 178.643 176.094 0.078 0.000 1.065 409 V CA 2.368 64.707 62.300 0.065 0.000 1.049 409 V CB -0.835 31.001 31.823 0.022 0.000 0.651 409 V HN 0.540 nan 8.190 nan 0.000 0.450 410 E N -0.269 119.974 120.200 0.071 0.000 2.187 410 E HA -0.251 4.098 4.350 -0.001 0.000 0.199 410 E C 2.005 178.653 176.600 0.080 0.000 1.004 410 E CA 1.726 58.163 56.400 0.062 0.000 0.813 410 E CB -0.066 29.663 29.700 0.048 0.000 0.736 410 E HN 0.653 nan 8.360 nan 0.000 0.468 411 L N -0.693 120.597 121.223 0.112 0.000 2.316 411 L HA 0.199 4.538 4.340 -0.001 0.000 0.207 411 L C 2.518 179.494 176.870 0.177 0.000 1.070 411 L CA 0.476 55.390 54.840 0.123 0.000 0.820 411 L CB -0.272 41.864 42.059 0.130 0.000 0.992 411 L HN 0.072 nan 8.230 nan 0.000 0.466 412 A N 1.013 123.989 122.820 0.261 0.000 2.194 412 A HA -0.157 4.163 4.320 -0.001 0.000 0.220 412 A C 0.739 178.568 177.584 0.407 0.000 1.162 412 A CA 1.158 53.484 52.037 0.481 0.000 0.674 412 A CB -0.652 18.596 19.000 0.413 0.000 0.789 412 A HN 0.629 nan 8.150 nan 0.000 0.470 413 E N -0.485 119.842 120.200 0.212 0.000 2.502 413 E HA 0.485 4.834 4.350 -0.001 0.000 0.261 413 E C -1.484 175.180 176.600 0.107 0.000 0.974 413 E CA -0.707 55.782 56.400 0.147 0.000 0.795 413 E CB 1.005 30.753 29.700 0.081 0.000 1.385 413 E HN 0.277 nan 8.360 nan 0.000 0.400 414 D N 1.626 122.090 120.400 0.106 0.000 2.744 414 D HA 0.470 5.110 4.640 -0.001 0.000 0.304 414 D C 0.397 176.743 176.300 0.077 0.000 1.179 414 D CA -0.281 53.765 54.000 0.077 0.000 1.024 414 D CB 2.321 43.159 40.800 0.063 0.000 1.453 414 D HN 0.272 nan 8.370 nan 0.000 0.529 415 A N 0.883 123.739 122.820 0.060 0.000 1.839 415 A HA -0.013 4.306 4.320 -0.001 0.000 0.213 415 A C 0.460 178.091 177.584 0.078 0.000 1.274 415 A CA 1.161 53.237 52.037 0.065 0.000 0.608 415 A CB -0.628 18.398 19.000 0.043 0.000 0.920 415 A HN 0.465 nan 8.150 nan 0.000 0.465 416 K N 1.441 121.861 120.400 0.033 0.000 2.511 416 K HA -0.040 4.279 4.320 -0.001 0.000 0.280 416 K C 0.981 177.593 176.600 0.020 0.000 1.008 416 K CA 0.487 56.768 56.287 -0.010 0.000 1.050 416 K CB 0.109 32.542 32.500 -0.112 0.000 0.889 416 K HN 0.765 nan 8.250 nan 0.000 0.484 417 W N 4.151 125.442 121.300 -0.015 0.000 2.425 417 W HA -0.133 4.527 4.660 -0.001 0.000 0.277 417 W C 0.626 177.097 176.519 -0.081 0.000 1.231 417 W CA 0.260 57.580 57.345 -0.043 0.000 1.248 417 W CB -0.290 29.152 29.460 -0.031 0.000 1.117 417 W HN 0.393 nan 8.180 nan 0.000 0.568 418 R N 1.363 121.411 120.500 -0.754 0.000 2.091 418 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 418 R C 2.315 178.409 176.300 -0.344 0.000 1.136 418 R CA 1.632 57.264 56.100 -0.780 0.000 0.959 418 R CB -1.333 28.499 30.300 -0.781 0.000 0.856 418 R HN 0.235 nan 8.270 nan 0.000 0.437 419 V N 1.537 121.317 119.914 -0.224 0.000 2.295 419 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 419 V C 2.558 178.584 176.094 -0.113 0.000 1.049 419 V CA 1.674 63.896 62.300 -0.130 0.000 1.024 419 V CB -0.483 31.301 31.823 -0.065 0.000 0.648 419 V HN 0.307 nan 8.190 nan 0.000 0.447 420 R N -0.419 120.035 120.500 -0.077 0.000 2.096 420 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 420 R C 2.257 178.382 176.300 -0.292 0.000 1.127 420 R CA 1.516 57.554 56.100 -0.103 0.000 0.968 420 R CB -0.701 29.581 30.300 -0.030 0.000 0.861 420 R HN 0.390 nan 8.270 nan 0.000 0.440 421 L N 1.088 122.177 121.223 -0.223 0.000 2.079 421 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 421 L C 2.262 178.933 176.870 -0.330 0.000 1.081 421 L CA 1.880 56.569 54.840 -0.252 0.000 0.752 421 L CB -0.566 41.431 42.059 -0.103 0.000 0.896 421 L HN 0.125 nan 8.230 nan 0.000 0.433 422 A N -0.289 122.342 122.820 -0.314 0.000 1.902 422 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 422 A C 2.090 179.213 177.584 -0.769 0.000 1.181 422 A CA 1.873 53.672 52.037 -0.398 0.000 0.623 422 A CB -0.719 18.132 19.000 -0.247 0.000 0.818 422 A HN 0.436 nan 8.150 nan 0.000 0.443 423 I N 0.295 120.512 120.570 -0.588 0.000 2.394 423 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 423 I C 2.315 178.180 176.117 -0.419 0.000 1.136 423 I CA 0.894 61.873 61.300 -0.535 0.000 1.425 423 I CB -1.342 36.665 38.000 0.012 0.000 1.079 423 I HN 0.311 nan 8.210 nan 0.000 0.425 424 I N 1.060 121.283 120.570 -0.579 0.000 2.335 424 I HA -0.263 3.907 4.170 -0.001 0.000 0.251 424 I C 2.447 178.444 176.117 -0.200 0.000 1.129 424 I CA 1.154 62.143 61.300 -0.519 0.000 1.402 424 I CB -0.358 37.232 38.000 -0.683 0.000 1.069 424 I HN 0.272 nan 8.210 nan 0.000 0.424 425 E N 0.618 120.643 120.200 -0.291 0.000 2.072 425 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 425 E C 2.068 178.683 176.600 0.026 0.000 0.985 425 E CA 1.375 57.687 56.400 -0.147 0.000 0.801 425 E CB -0.703 28.889 29.700 -0.179 0.000 0.750 425 E HN 0.524 nan 8.360 nan 0.000 0.452 426 Y N 0.563 120.902 120.300 0.064 0.000 2.465 426 Y HA -0.110 4.439 4.550 -0.001 0.000 0.289 426 Y C 2.225 178.210 175.900 0.140 0.000 1.150 426 Y CA 0.247 58.406 58.100 0.098 0.000 1.293 426 Y CB -0.786 37.746 38.460 0.120 0.000 0.977 426 Y HN -0.039 nan 8.280 nan 0.000 0.556 427 M N 0.889 120.667 119.600 0.297 0.000 2.255 427 M HA -0.173 4.307 4.480 -0.001 0.000 0.260 427 M C -0.410 176.006 176.300 0.193 0.000 1.069 427 M CA 1.888 57.382 55.300 0.323 0.000 1.089 427 M CB -2.025 30.799 32.600 0.373 0.000 1.269 427 M HN 0.014 nan 8.290 nan 0.000 0.434 428 P HA -0.149 nan 4.420 nan 0.000 0.221 428 P C 1.766 179.033 177.300 -0.054 0.000 1.145 428 P CA 1.371 64.429 63.100 -0.069 0.000 0.795 428 P CB -0.146 31.512 31.700 -0.071 0.000 0.775 429 L N -0.880 120.376 121.223 0.054 0.000 2.004 429 L HA -0.073 4.267 4.340 -0.001 0.000 0.205 429 L C 2.874 179.800 176.870 0.094 0.000 1.089 429 L CA 0.990 55.868 54.840 0.064 0.000 0.756 429 L CB -1.215 40.912 42.059 0.112 0.000 0.900 429 L HN -0.136 nan 8.230 nan 0.000 0.440 430 L N -0.035 121.296 121.223 0.180 0.000 2.064 430 L HA -0.331 4.009 4.340 -0.001 0.000 0.216 430 L C 2.764 179.792 176.870 0.263 0.000 1.077 430 L CA 1.454 56.440 54.840 0.242 0.000 0.766 430 L CB -0.809 41.454 42.059 0.341 0.000 0.890 430 L HN 0.371 nan 8.230 nan 0.000 0.435 431 A N 0.399 123.346 122.820 0.211 0.000 1.844 431 A HA -0.212 4.108 4.320 -0.001 0.000 0.214 431 A C 2.247 179.877 177.584 0.078 0.000 1.217 431 A CA 1.920 54.035 52.037 0.129 0.000 0.644 431 A CB -1.617 17.159 19.000 -0.374 0.000 0.850 431 A HN 0.442 nan 8.150 nan 0.000 0.456 432 G N -1.736 106.956 108.800 -0.180 0.000 2.615 432 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.213 432 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.213 432 G C 1.316 176.210 174.900 -0.009 0.000 1.135 432 G CA 0.988 45.998 45.100 -0.151 0.000 0.772 432 G HN 0.646 nan 8.290 nan 0.000 0.542 433 Q N -1.256 118.575 119.800 0.052 0.000 2.431 433 Q HA 0.307 4.646 4.340 -0.001 0.000 0.244 433 Q C 2.039 178.081 176.000 0.069 0.000 0.880 433 Q CA -0.131 55.703 55.803 0.052 0.000 0.954 433 Q CB 0.293 29.060 28.738 0.048 0.000 1.105 433 Q HN 0.464 nan 8.270 nan 0.000 0.558 434 L N -0.250 121.056 121.223 0.138 0.000 2.616 434 L HA 0.331 4.670 4.340 -0.001 0.000 0.229 434 L C 0.500 177.476 176.870 0.176 0.000 1.110 434 L CA 0.267 55.171 54.840 0.107 0.000 0.884 434 L CB 0.682 42.816 42.059 0.126 0.000 1.115 434 L HN 0.213 nan 8.230 nan 0.000 0.481 435 G N -0.113 108.824 108.800 0.229 0.000 2.785 435 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.686 435 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.686 435 G C 0.255 175.281 174.900 0.211 0.000 1.155 435 G CA -0.305 44.924 45.100 0.214 0.000 0.760 435 G HN -0.208 nan 8.290 nan 0.000 0.624 436 V N 1.825 121.736 119.914 -0.004 0.000 2.370 436 V HA -0.229 3.891 4.120 -0.001 0.000 0.252 436 V C 2.842 178.837 176.094 -0.165 0.000 1.068 436 V CA 3.246 65.186 62.300 -0.599 0.000 1.061 436 V CB -0.343 30.920 31.823 -0.934 0.000 0.656 436 V HN 0.955 nan 8.190 nan 0.000 0.455 437 E N -0.890 119.306 120.200 -0.007 0.000 2.153 437 E HA -0.292 4.057 4.350 -0.001 0.000 0.194 437 E C 2.163 178.845 176.600 0.137 0.000 0.988 437 E CA 1.929 58.366 56.400 0.061 0.000 0.811 437 E CB -0.665 29.077 29.700 0.070 0.000 0.746 437 E HN 0.670 nan 8.360 nan 0.000 0.466 438 F N 0.949 120.926 119.950 0.045 0.000 2.335 438 F HA 0.056 4.582 4.527 -0.001 0.000 0.296 438 F C 1.971 177.822 175.800 0.084 0.000 1.091 438 F CA 0.280 58.318 58.000 0.063 0.000 1.399 438 F CB -0.256 38.795 39.000 0.086 0.000 1.067 438 F HN -0.055 nan 8.300 nan 0.000 0.520 439 F N 1.236 121.149 119.950 -0.061 0.000 2.146 439 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 439 F C 2.107 177.851 175.800 -0.094 0.000 1.096 439 F CA 1.888 59.826 58.000 -0.103 0.000 1.275 439 F CB -0.541 38.471 39.000 0.021 0.000 1.008 439 F HN -0.118 nan 8.300 nan 0.000 0.480 440 D N -0.066 120.342 120.400 0.014 0.000 2.219 440 D HA -0.160 4.480 4.640 -0.001 0.000 0.205 440 D C 2.108 178.316 176.300 -0.153 0.000 0.970 440 D CA 1.172 55.169 54.000 -0.004 0.000 0.851 440 D CB -0.186 40.675 40.800 0.101 0.000 0.943 440 D HN 0.535 nan 8.370 nan 0.000 0.488 441 E N -0.056 120.032 120.200 -0.186 0.000 2.057 441 E HA -0.056 4.294 4.350 -0.001 0.000 0.190 441 E C 1.300 177.718 176.600 -0.304 0.000 0.969 441 E CA 0.550 56.834 56.400 -0.193 0.000 0.812 441 E CB 0.389 30.028 29.700 -0.102 0.000 0.777 441 E HN -0.110 nan 8.360 nan 0.000 0.455 442 K N -0.231 119.852 120.400 -0.528 0.000 2.367 442 K HA 0.105 4.424 4.320 -0.001 0.000 0.195 442 K C 1.544 177.815 176.600 -0.550 0.000 1.060 442 K CA 0.105 56.063 56.287 -0.547 0.000 1.022 442 K CB 0.669 32.757 32.500 -0.687 0.000 0.894 442 K HN 0.140 nan 8.250 nan 0.000 0.540 443 L N 0.613 121.419 121.223 -0.694 0.000 2.445 443 L HA 0.141 4.481 4.340 -0.001 0.000 0.207 443 L C 1.937 178.358 176.870 -0.748 0.000 1.053 443 L CA 0.922 55.359 54.840 -0.671 0.000 0.841 443 L CB -1.098 40.554 42.059 -0.678 0.000 1.074 443 L HN 0.088 nan 8.230 nan 0.000 0.479 444 N N 0.156 118.288 118.700 -0.947 0.000 2.111 444 N HA -0.290 4.450 4.740 -0.001 0.000 0.197 444 N C 1.962 177.264 175.510 -0.346 0.000 1.011 444 N CA 2.123 54.828 53.050 -0.575 0.000 0.880 444 N CB 0.002 38.290 38.487 -0.332 0.000 1.031 444 N HN 0.434 nan 8.380 nan 0.000 0.444 445 S N -0.196 115.300 115.700 -0.340 0.000 2.359 445 S HA -0.184 4.285 4.470 -0.001 0.000 0.223 445 S C 1.990 176.376 174.600 -0.358 0.000 1.039 445 S CA 1.460 59.489 58.200 -0.285 0.000 1.042 445 S CB -0.897 62.152 63.200 -0.251 0.000 0.915 445 S HN 0.274 nan 8.310 nan 0.000 0.439 446 L N 1.430 122.374 121.223 -0.466 0.000 2.079 446 L HA -0.063 4.277 4.340 -0.001 0.000 0.210 446 L C 2.900 179.199 176.870 -0.952 0.000 1.081 446 L CA 1.234 55.622 54.840 -0.754 0.000 0.752 446 L CB -1.190 40.394 42.059 -0.793 0.000 0.896 446 L HN 0.458 nan 8.230 nan 0.000 0.433 447 C N -1.216 117.771 119.300 -0.521 0.000 2.435 447 C HA -0.106 4.354 4.460 -0.001 0.000 0.279 447 C C 2.809 177.783 174.990 -0.026 0.000 1.321 447 C CA 0.432 59.378 59.018 -0.121 0.000 1.752 447 C CB -0.669 27.176 27.740 0.175 0.000 1.959 447 C HN 0.496 nan 8.230 nan 0.000 0.500 448 M N 0.801 120.325 119.600 -0.126 0.000 2.236 448 M HA 0.007 4.487 4.480 -0.001 0.000 0.266 448 M C 2.560 178.797 176.300 -0.105 0.000 1.070 448 M CA 1.652 56.903 55.300 -0.083 0.000 1.137 448 M CB -1.551 30.981 32.600 -0.112 0.000 1.378 448 M HN 0.387 nan 8.290 nan 0.000 0.426 449 A N 0.207 122.902 122.820 -0.208 0.000 1.865 449 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 449 A C 1.861 179.409 177.584 -0.059 0.000 1.191 449 A CA 1.462 53.382 52.037 -0.196 0.000 0.623 449 A CB -1.199 17.610 19.000 -0.319 0.000 0.826 449 A HN 0.605 nan 8.150 nan 0.000 0.444 450 W N -0.018 121.257 121.300 -0.042 0.000 2.387 450 W HA -0.088 4.572 4.660 -0.000 0.000 0.272 450 W C 1.851 178.345 176.519 -0.041 0.000 1.224 450 W CA 0.605 57.929 57.345 -0.036 0.000 1.210 450 W CB -1.168 28.285 29.460 -0.011 0.000 1.125 450 W HN 0.303 nan 8.180 nan 0.000 0.572 451 L N -0.438 120.885 121.223 0.166 0.000 2.353 451 L HA -0.127 4.213 4.340 -0.001 0.000 0.220 451 L C 1.580 178.445 176.870 -0.008 0.000 1.133 451 L CA 0.736 55.624 54.840 0.080 0.000 0.798 451 L CB -0.442 41.640 42.059 0.038 0.000 0.922 451 L HN -0.253 nan 8.230 nan 0.000 0.445 452 V N -1.091 118.788 119.914 -0.058 0.000 2.991 452 V HA 0.107 4.226 4.120 -0.001 0.000 0.355 452 V C 0.077 176.151 176.094 -0.034 0.000 1.384 452 V CA -0.365 61.801 62.300 -0.223 0.000 1.171 452 V CB 0.454 32.024 31.823 -0.422 0.000 1.190 452 V HN 0.229 nan 8.190 nan 0.000 0.540 453 D N -0.785 119.649 120.400 0.057 0.000 2.361 453 D HA 0.051 4.691 4.640 -0.001 0.000 0.239 453 D C 1.317 177.706 176.300 0.149 0.000 1.200 453 D CA 0.423 54.459 54.000 0.059 0.000 0.915 453 D CB 0.683 41.541 40.800 0.097 0.000 1.170 453 D HN 0.514 nan 8.370 nan 0.000 0.444 454 H N -0.197 118.938 119.070 0.108 0.000 2.333 454 H HA 0.052 4.608 4.556 -0.001 0.000 0.302 454 H C 0.325 175.679 175.328 0.043 0.000 1.075 454 H CA 0.082 56.184 56.048 0.091 0.000 1.348 454 H CB 0.239 30.044 29.762 0.072 0.000 1.393 454 H HN 0.055 nan 8.280 nan 0.000 0.509 455 V N 2.367 122.345 119.914 0.107 0.000 2.479 455 V HA -0.159 3.961 4.120 -0.001 0.000 0.281 455 V C 0.952 176.990 176.094 -0.093 0.000 1.031 455 V CA 0.399 62.648 62.300 -0.086 0.000 1.038 455 V CB 0.211 31.860 31.823 -0.290 0.000 0.981 455 V HN 0.383 nan 8.190 nan 0.000 0.478 456 Y N 5.814 126.005 120.300 -0.183 0.000 2.053 456 Y HA -0.329 4.220 4.550 -0.001 0.000 0.277 456 Y C 2.276 178.061 175.900 -0.192 0.000 1.159 456 Y CA 2.242 60.259 58.100 -0.139 0.000 1.125 456 Y CB -0.122 38.259 38.460 -0.131 0.000 0.969 456 Y HN 0.652 nan 8.280 nan 0.000 0.492 457 A N 0.898 123.300 122.820 -0.697 0.000 1.971 457 A HA -0.269 4.051 4.320 -0.001 0.000 0.222 457 A C 2.122 179.414 177.584 -0.487 0.000 1.182 457 A CA 2.187 53.784 52.037 -0.733 0.000 0.649 457 A CB -1.045 17.421 19.000 -0.890 0.000 0.818 457 A HN 0.619 nan 8.150 nan 0.000 0.458 458 I N -0.687 119.657 120.570 -0.377 0.000 2.252 458 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 458 I C 2.607 178.618 176.117 -0.176 0.000 1.102 458 I CA 1.339 62.511 61.300 -0.213 0.000 1.385 458 I CB -1.166 36.760 38.000 -0.124 0.000 1.064 458 I HN 0.397 nan 8.210 nan 0.000 0.414 459 R N 0.460 120.869 120.500 -0.152 0.000 2.073 459 R HA -0.201 4.139 4.340 -0.001 0.000 0.234 459 R C 2.161 178.403 176.300 -0.096 0.000 1.134 459 R CA 1.450 57.525 56.100 -0.041 0.000 0.952 459 R CB -0.419 29.918 30.300 0.062 0.000 0.850 459 R HN 0.419 nan 8.270 nan 0.000 0.433 460 E N 0.690 120.699 120.200 -0.317 0.000 2.070 460 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 460 E C 1.934 178.424 176.600 -0.183 0.000 1.004 460 E CA 1.348 57.554 56.400 -0.323 0.000 0.805 460 E CB -0.037 29.268 29.700 -0.659 0.000 0.744 460 E HN 0.354 nan 8.360 nan 0.000 0.451 461 A N 1.408 124.108 122.820 -0.199 0.000 1.834 461 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 461 A C 2.469 180.009 177.584 -0.073 0.000 1.203 461 A CA 2.349 54.300 52.037 -0.142 0.000 0.621 461 A CB -1.203 17.685 19.000 -0.187 0.000 0.841 461 A HN 0.433 nan 8.150 nan 0.000 0.446 462 A N -1.347 121.449 122.820 -0.041 0.000 2.076 462 A HA -0.050 4.270 4.320 -0.001 0.000 0.220 462 A C 2.190 179.847 177.584 0.122 0.000 1.160 462 A CA 2.302 54.405 52.037 0.110 0.000 0.653 462 A CB -1.155 18.007 19.000 0.271 0.000 0.801 462 A HN 0.528 nan 8.150 nan 0.000 0.455 463 T N 0.505 115.103 114.554 0.073 0.000 2.612 463 T HA -0.143 4.207 4.350 -0.001 0.000 0.259 463 T C 2.298 177.048 174.700 0.084 0.000 1.065 463 T CA 2.061 64.218 62.100 0.095 0.000 1.167 463 T CB -0.665 68.263 68.868 0.100 0.000 0.863 463 T HN 0.806 nan 8.240 nan 0.000 0.407 464 S N 2.357 118.083 115.700 0.042 0.000 2.500 464 S HA -0.134 4.335 4.470 -0.001 0.000 0.239 464 S C 1.816 176.444 174.600 0.047 0.000 0.989 464 S CA 1.038 59.260 58.200 0.035 0.000 0.951 464 S CB -0.760 62.440 63.200 -0.001 0.000 0.759 464 S HN 0.529 nan 8.310 nan 0.000 0.523 465 N N 1.464 120.203 118.700 0.065 0.000 2.457 465 N HA 0.026 4.765 4.740 -0.001 0.000 0.180 465 N C 1.573 177.162 175.510 0.132 0.000 1.050 465 N CA 0.606 53.708 53.050 0.087 0.000 0.906 465 N CB -0.263 38.292 38.487 0.113 0.000 0.968 465 N HN 0.505 nan 8.380 nan 0.000 0.445 466 L N 0.988 122.303 121.223 0.154 0.000 2.056 466 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 466 L C 2.726 179.698 176.870 0.169 0.000 1.078 466 L CA 1.019 55.979 54.840 0.201 0.000 0.749 466 L CB -0.515 41.654 42.059 0.183 0.000 0.901 466 L HN 0.157 nan 8.230 nan 0.000 0.433 467 K N 1.032 121.501 120.400 0.114 0.000 2.074 467 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 467 K C 1.922 178.548 176.600 0.044 0.000 1.048 467 K CA 1.551 57.889 56.287 0.084 0.000 0.926 467 K CB 0.038 32.573 32.500 0.058 0.000 0.713 467 K HN 0.270 nan 8.250 nan 0.000 0.444 468 K N 0.329 120.741 120.400 0.019 0.000 2.439 468 K HA -0.049 4.270 4.320 -0.001 0.000 0.197 468 K C 1.879 178.399 176.600 -0.132 0.000 1.041 468 K CA 0.542 56.803 56.287 -0.044 0.000 0.970 468 K CB 0.130 32.610 32.500 -0.033 0.000 0.773 468 K HN 0.240 nan 8.250 nan 0.000 0.479 469 L N -0.072 121.099 121.223 -0.086 0.000 2.354 469 L HA -0.035 4.304 4.340 -0.001 0.000 0.212 469 L C 2.060 178.778 176.870 -0.253 0.000 1.091 469 L CA 0.164 54.838 54.840 -0.276 0.000 0.828 469 L CB 0.105 42.148 42.059 -0.026 0.000 0.973 469 L HN -0.118 nan 8.230 nan 0.000 0.461 470 V N -0.175 119.778 119.914 0.065 0.000 2.453 470 V HA -0.197 3.923 4.120 -0.001 0.000 0.247 470 V C 2.118 178.211 176.094 -0.001 0.000 1.048 470 V CA 1.458 63.864 62.300 0.178 0.000 1.049 470 V CB -0.276 31.690 31.823 0.238 0.000 0.672 470 V HN 0.412 nan 8.190 nan 0.000 0.457 471 E N -0.309 119.852 120.200 -0.064 0.000 2.333 471 E HA -0.230 4.120 4.350 -0.001 0.000 0.198 471 E C 1.914 178.393 176.600 -0.202 0.000 1.007 471 E CA 0.835 57.179 56.400 -0.094 0.000 0.845 471 E CB 0.034 29.685 29.700 -0.081 0.000 0.766 471 E HN 0.374 nan 8.360 nan 0.000 0.507 472 K N -1.169 118.988 120.400 -0.405 0.000 2.354 472 K HA 0.098 4.418 4.320 -0.001 0.000 0.194 472 K C 0.371 176.509 176.600 -0.771 0.000 1.045 472 K CA 0.367 56.245 56.287 -0.682 0.000 1.026 472 K CB 0.556 32.397 32.500 -1.099 0.000 0.866 472 K HN 0.005 nan 8.250 nan 0.000 0.530 473 F N -1.063 118.684 119.950 -0.337 0.000 2.880 473 F HA 0.412 4.939 4.527 -0.001 0.000 0.346 473 F C 0.584 176.352 175.800 -0.054 0.000 1.054 473 F CA -0.134 57.645 58.000 -0.368 0.000 1.151 473 F CB 0.862 39.238 39.000 -1.041 0.000 1.066 473 F HN -0.037 nan 8.300 nan 0.000 0.566 474 G N 1.496 110.406 108.800 0.183 0.000 2.690 474 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.686 474 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.686 474 G C 0.683 175.762 174.900 0.297 0.000 1.277 474 G CA -0.308 44.917 45.100 0.209 0.000 0.799 474 G HN 0.403 nan 8.290 nan 0.000 0.613 475 K N -0.209 120.316 120.400 0.209 0.000 2.281 475 K HA -0.050 4.270 4.320 -0.001 0.000 0.203 475 K C 1.564 178.295 176.600 0.219 0.000 1.046 475 K CA 1.964 58.371 56.287 0.199 0.000 0.938 475 K CB 0.088 32.668 32.500 0.133 0.000 0.737 475 K HN 0.401 nan 8.250 nan 0.000 0.458 476 E N 0.843 121.179 120.200 0.226 0.000 2.033 476 E HA -0.151 4.198 4.350 -0.001 0.000 0.189 476 E C 1.645 178.400 176.600 0.257 0.000 0.979 476 E CA 1.017 57.549 56.400 0.220 0.000 0.802 476 E CB -0.427 29.383 29.700 0.183 0.000 0.763 476 E HN 0.569 nan 8.360 nan 0.000 0.449 477 W N 2.182 123.548 121.300 0.110 0.000 2.342 477 W HA -0.221 4.439 4.660 -0.001 0.000 0.297 477 W C 2.225 178.800 176.519 0.093 0.000 1.213 477 W CA 2.506 59.903 57.345 0.087 0.000 1.251 477 W CB -0.275 29.253 29.460 0.112 0.000 1.136 477 W HN 0.064 nan 8.180 nan 0.000 0.526 478 A N 0.001 122.938 122.820 0.195 0.000 1.841 478 A HA -0.343 3.977 4.320 -0.001 0.000 0.216 478 A C 1.846 179.346 177.584 -0.141 0.000 1.199 478 A CA 2.193 54.208 52.037 -0.037 0.000 0.621 478 A CB -1.810 17.306 19.000 0.193 0.000 0.835 478 A HN 0.626 nan 8.150 nan 0.000 0.445 479 H N -0.320 118.705 119.070 -0.075 0.000 2.518 479 H HA 0.063 4.619 4.556 -0.001 0.000 0.294 479 H C 1.560 176.770 175.328 -0.197 0.000 1.083 479 H CA 1.688 57.663 56.048 -0.121 0.000 1.264 479 H CB -0.078 29.649 29.762 -0.057 0.000 1.370 479 H HN 0.385 nan 8.280 nan 0.000 0.560 480 A N -1.743 120.859 122.820 -0.363 0.000 2.192 480 A HA 0.165 4.484 4.320 -0.001 0.000 0.208 480 A C 1.932 179.266 177.584 -0.417 0.000 1.220 480 A CA 0.655 52.446 52.037 -0.409 0.000 0.900 480 A CB 0.273 19.150 19.000 -0.204 0.000 0.937 480 A HN 0.431 nan 8.150 nan 0.000 0.487 481 T N -1.139 113.069 114.554 -0.577 0.000 2.959 481 T HA 0.383 4.733 4.350 -0.001 0.000 0.254 481 T C 1.289 175.671 174.700 -0.530 0.000 1.003 481 T CA 0.405 62.135 62.100 -0.617 0.000 0.950 481 T CB 0.160 68.441 68.868 -0.978 0.000 1.090 481 T HN 0.271 nan 8.240 nan 0.000 0.503 482 I N -0.218 120.045 120.570 -0.511 0.000 3.739 482 I HA 0.239 4.409 4.170 -0.001 0.000 0.272 482 I C 1.752 177.762 176.117 -0.177 0.000 1.167 482 I CA 0.123 61.239 61.300 -0.305 0.000 1.386 482 I CB 0.311 38.144 38.000 -0.278 0.000 1.490 482 I HN 0.051 nan 8.210 nan 0.000 0.452 483 I N 2.113 122.588 120.570 -0.158 0.000 2.185 483 I HA -0.239 3.931 4.170 -0.001 0.000 0.246 483 I C -0.587 175.463 176.117 -0.110 0.000 1.088 483 I CA 2.030 63.278 61.300 -0.086 0.000 1.347 483 I CB -1.695 36.280 38.000 -0.042 0.000 1.041 483 I HN 0.170 nan 8.210 nan 0.000 0.415 484 P HA -0.190 nan 4.420 nan 0.000 0.212 484 P C 1.435 178.666 177.300 -0.115 0.000 1.178 484 P CA 1.635 64.638 63.100 -0.161 0.000 0.915 484 P CB -0.053 31.518 31.700 -0.214 0.000 0.788 485 K N -0.695 119.631 120.400 -0.123 0.000 2.209 485 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 485 K C 1.948 178.506 176.600 -0.070 0.000 1.048 485 K CA 1.030 57.260 56.287 -0.096 0.000 0.940 485 K CB -0.767 31.670 32.500 -0.105 0.000 0.729 485 K HN 0.018 nan 8.250 nan 0.000 0.451 486 V N 1.637 121.514 119.914 -0.061 0.000 2.323 486 V HA -0.192 3.928 4.120 -0.001 0.000 0.244 486 V C 2.115 178.191 176.094 -0.030 0.000 1.041 486 V CA 1.420 63.699 62.300 -0.034 0.000 1.025 486 V CB -0.297 31.518 31.823 -0.013 0.000 0.656 486 V HN 0.283 nan 8.190 nan 0.000 0.451 487 L N 0.091 121.295 121.223 -0.031 0.000 2.191 487 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 487 L C 2.678 179.532 176.870 -0.025 0.000 1.103 487 L CA 1.200 56.027 54.840 -0.021 0.000 0.769 487 L CB -0.769 41.281 42.059 -0.015 0.000 0.908 487 L HN 0.386 nan 8.230 nan 0.000 0.438 488 A N 0.225 123.024 122.820 -0.035 0.000 1.883 488 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 488 A C 2.239 179.809 177.584 -0.022 0.000 1.186 488 A CA 1.788 53.806 52.037 -0.032 0.000 0.624 488 A CB -0.529 18.445 19.000 -0.042 0.000 0.822 488 A HN 0.382 nan 8.150 nan 0.000 0.444 489 M N 1.096 120.680 119.600 -0.026 0.000 2.521 489 M HA -0.168 4.312 4.480 -0.001 0.000 0.260 489 M C 2.049 178.347 176.300 -0.003 0.000 1.068 489 M CA 1.449 56.740 55.300 -0.014 0.000 1.060 489 M CB -0.608 31.975 32.600 -0.028 0.000 1.398 489 M HN 0.679 nan 8.290 nan 0.000 0.473 490 S N -0.555 115.137 115.700 -0.013 0.000 2.481 490 S HA -0.019 4.451 4.470 -0.001 0.000 0.231 490 S C 1.807 176.404 174.600 -0.004 0.000 0.996 490 S CA 0.881 59.072 58.200 -0.015 0.000 0.942 490 S CB -0.650 62.539 63.200 -0.019 0.000 0.768 490 S HN 0.567 nan 8.310 nan 0.000 0.520 491 G N 0.752 109.553 108.800 0.001 0.000 2.744 491 G HA2 0.049 4.009 3.960 -0.001 0.000 0.211 491 G HA3 0.049 4.009 3.960 -0.001 0.000 0.211 491 G C 0.244 175.154 174.900 0.018 0.000 1.146 491 G CA -0.209 44.894 45.100 0.005 0.000 0.787 491 G HN 0.478 nan 8.290 nan 0.000 0.534 492 D N 1.284 121.704 120.400 0.033 0.000 2.533 492 D HA 0.007 4.647 4.640 -0.001 0.000 0.236 492 D C -0.779 175.551 176.300 0.050 0.000 1.137 492 D CA -1.052 52.987 54.000 0.065 0.000 0.867 492 D CB 2.009 42.886 40.800 0.129 0.000 1.170 492 D HN 0.105 nan 8.370 nan 0.000 0.474 493 P HA -0.105 nan 4.420 nan 0.000 0.225 493 P C 0.436 177.745 177.300 0.016 0.000 1.156 493 P CA 0.215 63.327 63.100 0.020 0.000 0.787 493 P CB 0.316 32.023 31.700 0.012 0.000 0.802 494 N N 0.615 119.314 118.700 -0.001 0.000 2.442 494 N HA -0.043 4.696 4.740 -0.001 0.000 0.265 494 N C 1.084 176.623 175.510 0.048 0.000 1.138 494 N CA -0.294 52.727 53.050 -0.047 0.000 0.956 494 N CB 0.411 38.684 38.487 -0.356 0.000 1.067 494 N HN 0.016 nan 8.380 nan 0.000 0.474 495 Y N 4.114 124.346 120.300 -0.113 0.000 2.352 495 Y HA 0.005 4.555 4.550 -0.001 0.000 0.292 495 Y C 1.576 177.421 175.900 -0.092 0.000 1.136 495 Y CA 0.889 58.931 58.100 -0.097 0.000 1.227 495 Y CB -0.559 37.843 38.460 -0.097 0.000 0.991 495 Y HN 0.497 nan 8.280 nan 0.000 0.545 496 L N 0.030 120.995 121.223 -0.431 0.000 2.083 496 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 496 L C 2.384 179.209 176.870 -0.076 0.000 1.083 496 L CA 1.977 56.544 54.840 -0.455 0.000 0.752 496 L CB -0.742 41.146 42.059 -0.285 0.000 0.899 496 L HN 0.414 nan 8.230 nan 0.000 0.433 497 H N -1.276 117.737 119.070 -0.094 0.000 2.448 497 H HA -0.031 4.524 4.556 -0.001 0.000 0.292 497 H C 2.399 177.668 175.328 -0.098 0.000 1.035 497 H CA 0.293 56.307 56.048 -0.056 0.000 1.349 497 H CB 0.331 30.088 29.762 -0.009 0.000 1.425 497 H HN 0.160 nan 8.280 nan 0.000 0.539 498 R N 0.513 121.023 120.500 0.016 0.000 2.075 498 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 498 R C 2.252 178.435 176.300 -0.195 0.000 1.126 498 R CA 1.139 57.204 56.100 -0.059 0.000 0.963 498 R CB 0.053 30.334 30.300 -0.033 0.000 0.858 498 R HN 0.280 nan 8.270 nan 0.000 0.435 499 M N -0.773 118.635 119.600 -0.319 0.000 2.175 499 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 499 M C 1.957 177.706 176.300 -0.919 0.000 1.063 499 M CA 1.556 56.449 55.300 -0.679 0.000 1.119 499 M CB -0.159 32.003 32.600 -0.730 0.000 1.377 499 M HN 0.150 nan 8.290 nan 0.000 0.415 500 T N 0.211 114.522 114.554 -0.406 0.000 2.699 500 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 500 T C 1.768 176.404 174.700 -0.107 0.000 1.036 500 T CA 1.973 64.004 62.100 -0.115 0.000 1.147 500 T CB -0.374 68.520 68.868 0.044 0.000 0.862 500 T HN 0.415 nan 8.240 nan 0.000 0.446 501 T N 2.072 116.546 114.554 -0.134 0.000 2.622 501 T HA -0.034 4.316 4.350 -0.001 0.000 0.266 501 T C 1.948 176.600 174.700 -0.080 0.000 1.047 501 T CA 1.117 63.171 62.100 -0.077 0.000 1.159 501 T CB -0.524 68.303 68.868 -0.069 0.000 0.863 501 T HN 0.257 nan 8.240 nan 0.000 0.422 502 L N -0.028 121.086 121.223 -0.182 0.000 2.079 502 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 502 L C 2.360 179.252 176.870 0.036 0.000 1.081 502 L CA 1.159 55.929 54.840 -0.116 0.000 0.752 502 L CB -0.603 41.339 42.059 -0.196 0.000 0.896 502 L HN 0.230 nan 8.230 nan 0.000 0.433 503 F N -0.809 119.154 119.950 0.020 0.000 2.171 503 F HA -0.191 4.336 4.527 -0.001 0.000 0.300 503 F C 2.578 178.400 175.800 0.036 0.000 1.090 503 F CA 0.448 58.467 58.000 0.032 0.000 1.293 503 F CB -1.532 37.499 39.000 0.051 0.000 1.013 503 F HN 0.138 nan 8.300 nan 0.000 0.486 504 C N -0.203 119.218 119.300 0.203 0.000 2.450 504 C HA -0.030 4.430 4.460 -0.001 0.000 0.279 504 C C 2.907 177.961 174.990 0.106 0.000 1.335 504 C CA 0.189 59.288 59.018 0.135 0.000 1.749 504 C CB -1.123 26.674 27.740 0.095 0.000 1.963 504 C HN 0.374 nan 8.230 nan 0.000 0.501 505 I N 1.447 122.071 120.570 0.090 0.000 2.353 505 I HA -0.173 3.997 4.170 -0.001 0.000 0.248 505 I C 2.156 178.325 176.117 0.086 0.000 1.119 505 I CA 1.468 62.813 61.300 0.075 0.000 1.417 505 I CB -0.630 37.402 38.000 0.053 0.000 1.078 505 I HN 0.484 nan 8.210 nan 0.000 0.421 506 N N 0.243 119.009 118.700 0.109 0.000 2.104 506 N HA -0.175 4.565 4.740 -0.001 0.000 0.190 506 N C 1.856 177.416 175.510 0.084 0.000 1.024 506 N CA 1.074 54.186 53.050 0.103 0.000 0.853 506 N CB 0.024 38.594 38.487 0.138 0.000 1.008 506 N HN 0.104 nan 8.380 nan 0.000 0.424 507 V N 1.297 121.266 119.914 0.092 0.000 2.407 507 V HA -0.074 4.045 4.120 -0.001 0.000 0.245 507 V C 1.956 178.096 176.094 0.076 0.000 1.041 507 V CA 1.068 63.413 62.300 0.075 0.000 1.040 507 V CB -0.228 31.642 31.823 0.078 0.000 0.671 507 V HN 0.300 nan 8.190 nan 0.000 0.455 508 L N 0.753 122.028 121.223 0.086 0.000 2.465 508 L HA -0.078 4.262 4.340 -0.001 0.000 0.224 508 L C 2.516 179.434 176.870 0.081 0.000 1.145 508 L CA 1.265 56.159 54.840 0.090 0.000 0.834 508 L CB -0.486 41.630 42.059 0.095 0.000 0.944 508 L HN 0.536 nan 8.230 nan 0.000 0.451 509 S N -1.181 114.561 115.700 0.070 0.000 2.414 509 S HA -0.139 4.330 4.470 -0.001 0.000 0.227 509 S C 1.651 176.282 174.600 0.053 0.000 1.022 509 S CA 0.470 58.706 58.200 0.059 0.000 0.958 509 S CB -0.127 63.104 63.200 0.052 0.000 0.797 509 S HN 0.436 nan 8.310 nan 0.000 0.493 510 E N 0.787 121.019 120.200 0.052 0.000 2.153 510 E HA -0.075 4.274 4.350 -0.001 0.000 0.194 510 E C 1.561 178.188 176.600 0.046 0.000 0.988 510 E CA 1.505 57.932 56.400 0.044 0.000 0.811 510 E CB -0.010 29.715 29.700 0.041 0.000 0.746 510 E HN 0.690 nan 8.360 nan 0.000 0.466 511 V N -4.014 115.935 119.914 0.058 0.000 3.276 511 V HA 0.215 4.334 4.120 -0.001 0.000 0.319 511 V C 0.980 177.122 176.094 0.079 0.000 1.476 511 V CA -0.392 61.946 62.300 0.063 0.000 1.097 511 V CB 0.069 31.930 31.823 0.065 0.000 0.988 511 V HN 0.160 nan 8.190 nan 0.000 0.473 512 C N 1.562 120.911 119.300 0.081 0.000 2.912 512 C HA 0.703 5.162 4.460 -0.001 0.000 0.274 512 C C 1.556 176.590 174.990 0.073 0.000 1.248 512 C CA 0.427 59.502 59.018 0.094 0.000 1.694 512 C CB -0.945 26.861 27.740 0.110 0.000 2.024 512 C HN 1.238 nan 8.230 nan 0.000 0.605 513 G N 0.491 109.324 108.800 0.055 0.000 2.716 513 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.686 513 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.686 513 G C 0.358 175.274 174.900 0.027 0.000 1.337 513 G CA 0.218 45.341 45.100 0.038 0.000 0.829 513 G HN 0.368 nan 8.290 nan 0.000 0.599 514 Q N 0.006 119.816 119.800 0.016 0.000 2.224 514 Q HA -0.279 4.061 4.340 -0.001 0.000 0.213 514 Q C 1.916 177.909 176.000 -0.012 0.000 0.998 514 Q CA 2.985 58.790 55.803 0.004 0.000 0.895 514 Q CB -0.106 28.633 28.738 0.002 0.000 0.926 514 Q HN 0.745 nan 8.270 nan 0.000 0.417 515 D N -0.617 119.773 120.400 -0.015 0.000 2.087 515 D HA -0.081 4.559 4.640 -0.001 0.000 0.201 515 D C 1.812 178.068 176.300 -0.074 0.000 0.980 515 D CA 1.373 55.346 54.000 -0.045 0.000 0.849 515 D CB -0.123 40.654 40.800 -0.040 0.000 1.001 515 D HN 0.289 nan 8.370 nan 0.000 0.452 516 I N 0.358 120.914 120.570 -0.024 0.000 2.399 516 I HA -0.272 3.897 4.170 -0.001 0.000 0.254 516 I C 2.070 178.211 176.117 0.039 0.000 1.146 516 I CA 0.991 62.316 61.300 0.042 0.000 1.412 516 I CB -0.394 37.689 38.000 0.138 0.000 1.076 516 I HN 0.147 nan 8.210 nan 0.000 0.432 517 T N -0.107 114.459 114.554 0.019 0.000 2.698 517 T HA -0.136 4.214 4.350 -0.001 0.000 0.260 517 T C 1.951 176.641 174.700 -0.016 0.000 1.044 517 T CA 2.017 64.133 62.100 0.026 0.000 1.149 517 T CB -0.378 68.506 68.868 0.026 0.000 0.864 517 T HN 0.333 nan 8.240 nan 0.000 0.419 518 T N 2.142 116.669 114.554 -0.045 0.000 2.720 518 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 518 T C 2.011 176.644 174.700 -0.112 0.000 1.037 518 T CA 1.150 63.214 62.100 -0.061 0.000 1.144 518 T CB -0.139 68.696 68.868 -0.056 0.000 0.864 518 T HN 0.336 nan 8.240 nan 0.000 0.444 519 K N -0.402 119.858 120.400 -0.233 0.000 2.076 519 K HA -0.016 4.303 4.320 -0.001 0.000 0.204 519 K C 2.136 178.498 176.600 -0.396 0.000 1.051 519 K CA 0.939 56.987 56.287 -0.400 0.000 0.949 519 K CB 0.005 32.074 32.500 -0.719 0.000 0.726 519 K HN 0.481 nan 8.250 nan 0.000 0.443 520 H N -1.100 117.992 119.070 0.037 0.000 2.681 520 H HA 0.208 4.763 4.556 -0.001 0.000 0.268 520 H C 1.812 177.164 175.328 0.041 0.000 0.967 520 H CA 0.483 56.565 56.048 0.058 0.000 1.233 520 H CB 0.423 30.256 29.762 0.119 0.000 1.445 520 H HN 0.100 nan 8.280 nan 0.000 0.494 521 M N -0.074 119.598 119.600 0.120 0.000 2.557 521 M HA 0.026 4.506 4.480 -0.001 0.000 0.262 521 M C 2.179 178.505 176.300 0.044 0.000 1.168 521 M CA 0.343 55.691 55.300 0.080 0.000 1.194 521 M CB 0.019 32.666 32.600 0.079 0.000 1.311 521 M HN 0.045 nan 8.290 nan 0.000 0.489 522 L N 2.002 123.240 121.223 0.026 0.000 2.081 522 L HA -0.086 4.253 4.340 -0.001 0.000 0.212 522 L C -0.929 175.949 176.870 0.014 0.000 1.080 522 L CA 2.335 57.184 54.840 0.015 0.000 0.754 522 L CB -1.549 40.511 42.059 0.002 0.000 0.893 522 L HN 0.018 nan 8.230 nan 0.000 0.433 523 P HA -0.119 nan 4.420 nan 0.000 0.213 523 P C 1.651 178.962 177.300 0.018 0.000 1.170 523 P CA 2.185 65.295 63.100 0.016 0.000 0.898 523 P CB -0.191 31.523 31.700 0.024 0.000 0.787 524 T N -0.600 113.969 114.554 0.024 0.000 2.737 524 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 524 T C 1.805 176.508 174.700 0.006 0.000 1.040 524 T CA 1.326 63.435 62.100 0.015 0.000 1.142 524 T CB -1.099 67.779 68.868 0.016 0.000 0.861 524 T HN -0.127 nan 8.240 nan 0.000 0.456 525 V N 1.413 121.333 119.914 0.009 0.000 2.237 525 V HA -0.121 3.999 4.120 -0.001 0.000 0.245 525 V C 2.525 178.623 176.094 0.006 0.000 1.046 525 V CA 1.524 63.827 62.300 0.005 0.000 1.007 525 V CB -0.722 31.110 31.823 0.014 0.000 0.638 525 V HN 0.431 nan 8.190 nan 0.000 0.445 526 L N -0.208 121.021 121.223 0.010 0.000 2.079 526 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 526 L C 2.741 179.616 176.870 0.009 0.000 1.081 526 L CA 2.060 56.907 54.840 0.011 0.000 0.752 526 L CB -0.569 41.496 42.059 0.011 0.000 0.896 526 L HN 0.339 nan 8.230 nan 0.000 0.433 527 R N 0.517 121.020 120.500 0.006 0.000 2.092 527 R HA -0.133 4.207 4.340 -0.001 0.000 0.231 527 R C 2.108 178.407 176.300 -0.000 0.000 1.119 527 R CA 1.279 57.381 56.100 0.004 0.000 0.970 527 R CB -0.135 30.168 30.300 0.004 0.000 0.864 527 R HN 0.276 nan 8.270 nan 0.000 0.440 528 M N 0.273 119.870 119.600 -0.006 0.000 2.686 528 M HA 0.079 4.559 4.480 -0.001 0.000 0.246 528 M C 1.808 178.102 176.300 -0.010 0.000 1.096 528 M CA 0.613 55.905 55.300 -0.014 0.000 1.076 528 M CB 0.301 32.883 32.600 -0.030 0.000 1.504 528 M HN 0.288 nan 8.290 nan 0.000 0.524 529 A N 0.490 123.311 122.820 0.002 0.000 2.125 529 A HA 0.027 4.346 4.320 -0.001 0.000 0.219 529 A C 1.824 179.416 177.584 0.013 0.000 1.156 529 A CA 1.433 53.478 52.037 0.013 0.000 0.671 529 A CB -0.737 18.275 19.000 0.021 0.000 0.794 529 A HN 0.546 nan 8.150 nan 0.000 0.459 530 G N -0.423 108.381 108.800 0.006 0.000 4.125 530 G HA2 0.300 4.259 3.960 -0.001 0.000 0.301 530 G HA3 0.300 4.259 3.960 -0.001 0.000 0.301 530 G C -0.410 174.489 174.900 -0.002 0.000 1.273 530 G CA -0.106 44.997 45.100 0.005 0.000 1.095 530 G HN 0.353 nan 8.290 nan 0.000 0.582 531 D N 1.381 121.776 120.400 -0.007 0.000 2.264 531 D HA 0.147 4.786 4.640 -0.001 0.000 0.250 531 D C -0.831 175.461 176.300 -0.015 0.000 1.113 531 D CA -1.675 52.316 54.000 -0.015 0.000 0.871 531 D CB 2.635 43.419 40.800 -0.027 0.000 1.167 531 D HN 0.039 nan 8.370 nan 0.000 0.447 532 P HA -0.129 nan 4.420 nan 0.000 0.217 532 P C 0.542 177.822 177.300 -0.032 0.000 1.148 532 P CA 0.562 63.649 63.100 -0.022 0.000 0.828 532 P CB 0.278 31.963 31.700 -0.025 0.000 0.783 533 V N 0.887 120.776 119.914 -0.042 0.000 2.385 533 V HA 0.316 4.436 4.120 -0.001 0.000 0.269 533 V C 1.906 177.974 176.094 -0.043 0.000 1.043 533 V CA 0.135 62.397 62.300 -0.063 0.000 0.906 533 V CB 0.509 32.277 31.823 -0.092 0.000 0.995 533 V HN 0.049 nan 8.190 nan 0.000 0.467 534 A N 4.320 127.132 122.820 -0.014 0.000 1.948 534 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 534 A C 1.891 179.439 177.584 -0.060 0.000 1.177 534 A CA 2.425 54.485 52.037 0.039 0.000 0.636 534 A CB -0.665 18.408 19.000 0.122 0.000 0.815 534 A HN 0.862 nan 8.150 nan 0.000 0.449 535 N N -0.282 118.343 118.700 -0.125 0.000 2.223 535 N HA -0.091 4.648 4.740 -0.001 0.000 0.185 535 N C 1.350 176.378 175.510 -0.803 0.000 1.016 535 N CA 1.429 54.144 53.050 -0.557 0.000 0.863 535 N CB -0.326 38.163 38.487 0.003 0.000 0.983 535 N HN 0.304 nan 8.380 nan 0.000 0.429 536 V N 0.709 120.426 119.914 -0.329 0.000 2.407 536 V HA -0.078 4.042 4.120 -0.001 0.000 0.245 536 V C 2.211 178.166 176.094 -0.231 0.000 1.041 536 V CA 1.248 63.388 62.300 -0.266 0.000 1.040 536 V CB -0.342 31.408 31.823 -0.122 0.000 0.671 536 V HN 0.245 nan 8.190 nan 0.000 0.455 537 R N 0.266 120.679 120.500 -0.145 0.000 2.096 537 R HA -0.210 4.129 4.340 -0.001 0.000 0.240 537 R C 2.339 178.674 176.300 0.058 0.000 1.139 537 R CA 2.297 58.385 56.100 -0.020 0.000 0.952 537 R CB -0.626 29.702 30.300 0.048 0.000 0.854 537 R HN 0.713 nan 8.270 nan 0.000 0.436 538 F N 0.377 120.419 119.950 0.153 0.000 2.367 538 F HA 0.078 4.604 4.527 -0.001 0.000 0.298 538 F C 1.559 177.428 175.800 0.115 0.000 1.094 538 F CA 0.443 58.585 58.000 0.237 0.000 1.409 538 F CB -0.729 38.571 39.000 0.501 0.000 1.064 538 F HN -0.138 nan 8.300 nan 0.000 0.528 539 N N 1.057 119.700 118.700 -0.094 0.000 2.396 539 N HA -0.087 4.652 4.740 -0.001 0.000 0.180 539 N C 1.996 177.526 175.510 0.034 0.000 1.028 539 N CA 1.029 54.094 53.050 0.026 0.000 0.893 539 N CB -0.018 38.391 38.487 -0.131 0.000 0.967 539 N HN 0.299 nan 8.380 nan 0.000 0.440 540 V N 1.471 121.388 119.914 0.007 0.000 2.358 540 V HA -0.177 3.943 4.120 -0.001 0.000 0.246 540 V C 2.399 178.533 176.094 0.067 0.000 1.047 540 V CA 1.673 63.985 62.300 0.021 0.000 1.035 540 V CB -0.639 31.189 31.823 0.008 0.000 0.658 540 V HN 0.245 nan 8.190 nan 0.000 0.452 541 A N 0.097 122.989 122.820 0.120 0.000 1.851 541 A HA -0.297 4.023 4.320 -0.001 0.000 0.216 541 A C 2.220 179.863 177.584 0.099 0.000 1.195 541 A CA 2.315 54.433 52.037 0.134 0.000 0.622 541 A CB -0.574 18.564 19.000 0.230 0.000 0.831 541 A HN 0.552 nan 8.150 nan 0.000 0.444 542 K N -0.039 120.415 120.400 0.090 0.000 2.113 542 K HA -0.126 4.194 4.320 -0.001 0.000 0.208 542 K C 2.319 178.950 176.600 0.052 0.000 1.047 542 K CA 1.604 57.911 56.287 0.034 0.000 0.928 542 K CB -0.261 32.227 32.500 -0.021 0.000 0.716 542 K HN 0.435 nan 8.250 nan 0.000 0.446 543 S N 1.322 117.060 115.700 0.065 0.000 2.368 543 S HA -0.038 4.432 4.470 -0.001 0.000 0.224 543 S C 1.917 176.547 174.600 0.049 0.000 1.029 543 S CA 0.881 59.119 58.200 0.063 0.000 0.988 543 S CB -0.178 63.054 63.200 0.055 0.000 0.838 543 S HN 0.192 nan 8.310 nan 0.000 0.462 544 L N 1.341 122.591 121.223 0.045 0.000 2.046 544 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 544 L C 2.776 179.667 176.870 0.036 0.000 1.077 544 L CA 1.422 56.285 54.840 0.038 0.000 0.747 544 L CB -0.551 41.531 42.059 0.039 0.000 0.896 544 L HN 0.392 nan 8.230 nan 0.000 0.432 545 Q N 0.331 120.154 119.800 0.039 0.000 2.364 545 Q HA -0.236 4.103 4.340 -0.001 0.000 0.207 545 Q C 1.987 178.005 176.000 0.030 0.000 0.970 545 Q CA 1.302 57.125 55.803 0.033 0.000 0.888 545 Q CB 0.259 29.017 28.738 0.034 0.000 0.951 545 Q HN 0.236 nan 8.270 nan 0.000 0.469 546 K N 0.846 121.267 120.400 0.035 0.000 2.063 546 K HA -0.020 4.299 4.320 -0.001 0.000 0.204 546 K C 1.781 178.402 176.600 0.035 0.000 1.039 546 K CA 1.151 57.459 56.287 0.036 0.000 0.957 546 K CB -0.218 32.309 32.500 0.046 0.000 0.764 546 K HN 0.358 nan 8.250 nan 0.000 0.447 547 I N -1.524 119.068 120.570 0.037 0.000 3.646 547 I HA 0.235 4.404 4.170 -0.001 0.000 0.301 547 I C 1.450 177.583 176.117 0.026 0.000 1.276 547 I CA 0.506 61.826 61.300 0.034 0.000 1.254 547 I CB -0.385 37.637 38.000 0.037 0.000 1.020 547 I HN 0.145 nan 8.210 nan 0.000 0.473 548 G N 2.792 111.607 108.800 0.025 0.000 2.511 548 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.216 548 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.216 548 G C -0.559 174.352 174.900 0.017 0.000 1.218 548 G CA 0.899 46.011 45.100 0.020 0.000 0.788 548 G HN 0.384 nan 8.290 nan 0.000 0.560 549 P HA 0.015 nan 4.420 nan 0.000 0.229 549 P C 1.320 178.629 177.300 0.015 0.000 1.150 549 P CA 0.705 63.815 63.100 0.015 0.000 0.765 549 P CB -0.040 31.670 31.700 0.016 0.000 0.783 550 I N -2.547 118.033 120.570 0.017 0.000 3.783 550 I HA 0.019 4.188 4.170 -0.001 0.000 0.310 550 I C 0.807 176.931 176.117 0.011 0.000 1.274 550 I CA 0.100 61.410 61.300 0.016 0.000 1.294 550 I CB 0.050 38.062 38.000 0.022 0.000 1.051 550 I HN -0.148 nan 8.210 nan 0.000 0.435 551 L N 1.472 122.701 121.223 0.009 0.000 2.334 551 L HA 0.223 4.563 4.340 -0.001 0.000 0.277 551 L C -0.079 176.793 176.870 0.003 0.000 1.075 551 L CA -0.880 53.962 54.840 0.004 0.000 0.804 551 L CB 0.628 42.689 42.059 0.004 0.000 1.174 551 L HN 0.131 nan 8.230 nan 0.000 0.438 552 D N 0.264 120.663 120.400 -0.001 0.000 2.361 552 D HA -0.071 4.569 4.640 -0.001 0.000 0.239 552 D C 0.657 176.958 176.300 0.001 0.000 1.200 552 D CA -0.371 53.629 54.000 -0.000 0.000 0.915 552 D CB 0.568 41.366 40.800 -0.003 0.000 1.170 552 D HN 0.474 nan 8.370 nan 0.000 0.444 553 N N -0.194 118.507 118.700 0.002 0.000 2.309 553 N HA -0.195 4.545 4.740 -0.001 0.000 0.182 553 N C 1.545 177.056 175.510 0.001 0.000 1.018 553 N CA 1.103 54.155 53.050 0.002 0.000 0.876 553 N CB -0.078 38.411 38.487 0.003 0.000 0.972 553 N HN 0.413 nan 8.380 nan 0.000 0.434 554 S N -1.490 114.210 115.700 -0.000 0.000 2.382 554 S HA -0.091 4.379 4.470 -0.001 0.000 0.228 554 S C 1.715 176.314 174.600 -0.002 0.000 1.027 554 S CA 1.715 59.914 58.200 -0.001 0.000 0.991 554 S CB -0.547 62.651 63.200 -0.003 0.000 0.823 554 S HN 0.431 nan 8.310 nan 0.000 0.469 555 T N 2.584 117.137 114.554 -0.003 0.000 2.777 555 T HA 0.088 4.437 4.350 -0.001 0.000 0.266 555 T C 1.639 176.340 174.700 0.001 0.000 1.040 555 T CA 1.103 63.201 62.100 -0.003 0.000 1.141 555 T CB -0.327 68.537 68.868 -0.006 0.000 0.868 555 T HN 0.322 nan 8.240 nan 0.000 0.444 556 L N 0.925 122.150 121.223 0.003 0.000 2.456 556 L HA -0.069 4.270 4.340 -0.001 0.000 0.224 556 L C 2.568 179.441 176.870 0.005 0.000 1.148 556 L CA 0.820 55.663 54.840 0.005 0.000 0.825 556 L CB -0.298 41.765 42.059 0.006 0.000 0.937 556 L HN 0.275 nan 8.230 nan 0.000 0.450 557 Q N -1.252 118.550 119.800 0.004 0.000 2.442 557 Q HA 0.012 4.352 4.340 -0.001 0.000 0.228 557 Q C 2.435 178.437 176.000 0.004 0.000 0.902 557 Q CA 1.209 57.014 55.803 0.004 0.000 0.933 557 Q CB -0.017 28.723 28.738 0.003 0.000 1.071 557 Q HN 0.505 nan 8.270 nan 0.000 0.562 558 S N 1.450 117.151 115.700 0.002 0.000 2.338 558 S HA -0.129 4.341 4.470 -0.001 0.000 0.218 558 S C 1.417 176.019 174.600 0.003 0.000 1.032 558 S CA 1.512 59.713 58.200 0.002 0.000 0.999 558 S CB -0.162 63.038 63.200 -0.001 0.000 0.905 558 S HN 0.301 nan 8.310 nan 0.000 0.439 559 E N 0.002 120.204 120.200 0.003 0.000 2.485 559 E HA 0.320 4.670 4.350 -0.001 0.000 0.213 559 E C 1.738 178.343 176.600 0.009 0.000 0.923 559 E CA 0.089 56.492 56.400 0.005 0.000 1.054 559 E CB 0.285 29.987 29.700 0.004 0.000 1.077 559 E HN 0.313 nan 8.360 nan 0.000 0.509 560 V N 1.442 121.361 119.914 0.009 0.000 2.283 560 V HA -0.169 3.951 4.120 -0.001 0.000 0.239 560 V C 2.284 178.387 176.094 0.014 0.000 1.035 560 V CA 1.738 64.046 62.300 0.013 0.000 1.018 560 V CB -0.379 31.451 31.823 0.013 0.000 0.658 560 V HN 0.128 nan 8.190 nan 0.000 0.459 561 K N 0.542 120.949 120.400 0.011 0.000 2.107 561 K HA -0.255 4.065 4.320 -0.001 0.000 0.211 561 K C -0.222 176.385 176.600 0.012 0.000 1.049 561 K CA 2.386 58.680 56.287 0.011 0.000 0.927 561 K CB -1.195 31.309 32.500 0.008 0.000 0.714 561 K HN 0.392 nan 8.250 nan 0.000 0.452 562 P HA -0.187 nan 4.420 nan 0.000 0.213 562 P C 1.362 178.671 177.300 0.015 0.000 1.170 562 P CA 1.107 64.213 63.100 0.011 0.000 0.898 562 P CB -0.013 31.693 31.700 0.009 0.000 0.787 563 I N -1.090 119.490 120.570 0.017 0.000 2.118 563 I HA -0.230 3.939 4.170 -0.001 0.000 0.241 563 I C 2.383 178.516 176.117 0.028 0.000 1.070 563 I CA 1.744 63.057 61.300 0.021 0.000 1.327 563 I CB -1.590 36.423 38.000 0.022 0.000 1.034 563 I HN -0.027 nan 8.210 nan 0.000 0.405 564 L N 0.119 121.360 121.223 0.029 0.000 2.046 564 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 564 L C 2.480 179.367 176.870 0.028 0.000 1.077 564 L CA 1.398 56.258 54.840 0.034 0.000 0.747 564 L CB -0.609 41.468 42.059 0.030 0.000 0.896 564 L HN 0.304 nan 8.230 nan 0.000 0.432 565 E N 0.009 120.222 120.200 0.020 0.000 2.153 565 E HA -0.268 4.081 4.350 -0.001 0.000 0.194 565 E C 2.094 178.705 176.600 0.019 0.000 0.988 565 E CA 1.094 57.504 56.400 0.016 0.000 0.811 565 E CB -0.040 29.667 29.700 0.012 0.000 0.746 565 E HN 0.375 nan 8.360 nan 0.000 0.466 566 K N 1.395 121.808 120.400 0.022 0.000 1.985 566 K HA -0.168 4.151 4.320 -0.001 0.000 0.210 566 K C 2.189 178.807 176.600 0.030 0.000 1.047 566 K CA 1.110 57.411 56.287 0.023 0.000 0.932 566 K CB -0.191 32.322 32.500 0.022 0.000 0.716 566 K HN 0.058 nan 8.250 nan 0.000 0.439 567 L N 1.336 122.583 121.223 0.040 0.000 2.089 567 L HA -0.224 4.116 4.340 -0.001 0.000 0.213 567 L C 2.674 179.576 176.870 0.053 0.000 1.079 567 L CA 2.042 56.916 54.840 0.056 0.000 0.758 567 L CB -1.082 41.023 42.059 0.076 0.000 0.891 567 L HN 0.554 nan 8.230 nan 0.000 0.433 568 T N -3.664 110.913 114.554 0.040 0.000 2.996 568 T HA -0.195 4.155 4.350 -0.001 0.000 0.271 568 T C 1.633 176.348 174.700 0.025 0.000 1.126 568 T CA 0.916 63.033 62.100 0.028 0.000 1.103 568 T CB -0.123 68.753 68.868 0.014 0.000 0.870 568 T HN 0.291 nan 8.240 nan 0.000 0.528 569 Q N 0.838 120.654 119.800 0.026 0.000 2.356 569 Q HA 0.232 4.571 4.340 -0.001 0.000 0.205 569 Q C 0.604 176.620 176.000 0.026 0.000 0.901 569 Q CA -0.034 55.782 55.803 0.022 0.000 0.938 569 Q CB -0.233 28.516 28.738 0.018 0.000 1.081 569 Q HN 0.677 nan 8.270 nan 0.000 0.517 570 D N 1.557 121.979 120.400 0.036 0.000 2.474 570 D HA -0.119 4.521 4.640 -0.001 0.000 0.232 570 D C 1.305 177.627 176.300 0.036 0.000 1.177 570 D CA 0.354 54.379 54.000 0.042 0.000 0.876 570 D CB 1.036 41.875 40.800 0.064 0.000 1.208 570 D HN 0.122 nan 8.370 nan 0.000 0.464 571 Q N 2.441 122.261 119.800 0.033 0.000 2.187 571 Q HA -0.128 4.211 4.340 -0.001 0.000 0.199 571 Q C 0.303 176.321 176.000 0.031 0.000 0.957 571 Q CA 0.780 56.598 55.803 0.026 0.000 0.857 571 Q CB -0.141 28.609 28.738 0.019 0.000 0.929 571 Q HN 0.498 nan 8.270 nan 0.000 0.453 572 D N 1.271 121.699 120.400 0.048 0.000 2.383 572 D HA 0.037 4.676 4.640 -0.001 0.000 0.252 572 D C 1.300 177.632 176.300 0.053 0.000 1.166 572 D CA -0.036 54.001 54.000 0.061 0.000 0.879 572 D CB 1.600 42.462 40.800 0.104 0.000 1.164 572 D HN -0.050 nan 8.370 nan 0.000 0.462 573 V N 4.377 124.304 119.914 0.023 0.000 2.231 573 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 573 V C 1.941 178.004 176.094 -0.052 0.000 1.054 573 V CA 1.803 64.093 62.300 -0.017 0.000 1.015 573 V CB -0.474 31.321 31.823 -0.047 0.000 0.638 573 V HN 0.610 nan 8.190 nan 0.000 0.444 574 D N 0.155 120.509 120.400 -0.076 0.000 2.144 574 D HA -0.110 4.529 4.640 -0.001 0.000 0.199 574 D C 2.220 178.478 176.300 -0.070 0.000 0.984 574 D CA 1.319 55.170 54.000 -0.249 0.000 0.834 574 D CB -0.274 40.362 40.800 -0.274 0.000 0.955 574 D HN 0.379 nan 8.370 nan 0.000 0.465 575 V N 1.402 121.441 119.914 0.209 0.000 2.343 575 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 575 V C 2.396 178.594 176.094 0.173 0.000 1.051 575 V CA 1.512 64.004 62.300 0.319 0.000 1.036 575 V CB -0.370 31.607 31.823 0.257 0.000 0.654 575 V HN 0.150 nan 8.190 nan 0.000 0.451 576 K N -0.729 119.722 120.400 0.085 0.000 1.978 576 K HA -0.263 4.057 4.320 -0.001 0.000 0.214 576 K C 2.210 178.818 176.600 0.015 0.000 1.049 576 K CA 2.374 58.689 56.287 0.047 0.000 0.939 576 K CB -0.587 31.930 32.500 0.028 0.000 0.721 576 K HN 0.508 nan 8.250 nan 0.000 0.441 577 Y N 0.769 120.964 120.300 -0.175 0.000 2.139 577 Y HA -0.303 4.246 4.550 -0.001 0.000 0.282 577 Y C 1.885 177.671 175.900 -0.191 0.000 1.179 577 Y CA 1.720 59.660 58.100 -0.266 0.000 1.161 577 Y CB -0.270 37.888 38.460 -0.504 0.000 0.970 577 Y HN -0.001 nan 8.280 nan 0.000 0.511 578 F N -0.430 119.545 119.950 0.042 0.000 2.325 578 F HA 0.013 4.540 4.527 -0.001 0.000 0.299 578 F C 2.500 178.272 175.800 -0.047 0.000 1.090 578 F CA 0.654 58.642 58.000 -0.020 0.000 1.392 578 F CB -1.339 37.745 39.000 0.141 0.000 1.053 578 F HN 0.176 nan 8.300 nan 0.000 0.521 579 A N -0.443 122.464 122.820 0.145 0.000 1.873 579 A HA -0.216 4.103 4.320 -0.001 0.000 0.215 579 A C 2.156 179.742 177.584 0.004 0.000 1.186 579 A CA 1.625 53.712 52.037 0.084 0.000 0.616 579 A CB -0.797 18.249 19.000 0.077 0.000 0.823 579 A HN 0.308 nan 8.150 nan 0.000 0.442 580 Q N 0.075 119.838 119.800 -0.062 0.000 2.030 580 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 580 Q C 1.945 177.868 176.000 -0.129 0.000 0.986 580 Q CA 2.468 58.211 55.803 -0.100 0.000 0.843 580 Q CB -0.428 28.226 28.738 -0.140 0.000 0.904 580 Q HN 0.659 nan 8.270 nan 0.000 0.420 581 E N -0.276 119.781 120.200 -0.238 0.000 2.070 581 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 581 E C 1.730 178.297 176.600 -0.056 0.000 1.004 581 E CA 1.880 58.161 56.400 -0.197 0.000 0.805 581 E CB -0.714 28.827 29.700 -0.265 0.000 0.744 581 E HN 0.420 nan 8.360 nan 0.000 0.451 582 A N 0.513 123.330 122.820 -0.005 0.000 1.892 582 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 582 A C 2.399 179.987 177.584 0.007 0.000 1.188 582 A CA 1.792 53.841 52.037 0.021 0.000 0.631 582 A CB -0.945 18.084 19.000 0.049 0.000 0.822 582 A HN 0.362 nan 8.150 nan 0.000 0.447 583 L N -0.879 120.343 121.223 -0.002 0.000 1.970 583 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 583 L C 2.794 179.659 176.870 -0.009 0.000 1.071 583 L CA 1.953 56.791 54.840 -0.004 0.000 0.751 583 L CB -1.021 41.034 42.059 -0.007 0.000 0.889 583 L HN 0.370 nan 8.230 nan 0.000 0.432 584 T N -0.910 113.630 114.554 -0.022 0.000 2.869 584 T HA -0.146 4.204 4.350 -0.001 0.000 0.270 584 T C 1.793 176.488 174.700 -0.009 0.000 1.082 584 T CA 1.117 63.206 62.100 -0.020 0.000 1.123 584 T CB -0.116 68.732 68.868 -0.034 0.000 0.856 584 T HN 0.094 nan 8.240 nan 0.000 0.499 585 V N 0.525 120.436 119.914 -0.005 0.000 2.725 585 V HA 0.153 4.273 4.120 -0.001 0.000 0.247 585 V C 2.120 178.218 176.094 0.007 0.000 1.058 585 V CA 0.854 63.157 62.300 0.004 0.000 1.080 585 V CB -0.253 31.575 31.823 0.009 0.000 0.713 585 V HN 0.446 nan 8.190 nan 0.000 0.465 586 L N -0.486 120.741 121.223 0.007 0.000 2.509 586 L HA 0.108 4.447 4.340 -0.001 0.000 0.222 586 L C 1.472 178.346 176.870 0.007 0.000 1.123 586 L CA 0.623 55.468 54.840 0.009 0.000 0.856 586 L CB -0.033 42.033 42.059 0.011 0.000 0.985 586 L HN 0.426 nan 8.230 nan 0.000 0.456 587 S N -0.992 114.710 115.700 0.004 0.000 2.931 587 S HA -0.152 4.318 4.470 -0.001 0.000 0.271 587 S C 0.991 175.593 174.600 0.003 0.000 1.309 587 S CA 0.470 58.672 58.200 0.003 0.000 1.181 587 S CB -1.530 61.673 63.200 0.004 0.000 1.435 587 S HN 0.348 nan 8.310 nan 0.000 0.670 588 L N 0.233 121.458 121.223 0.004 0.000 2.610 588 L HA 0.251 4.591 4.340 -0.001 0.000 0.232 588 L C 1.492 178.363 176.870 0.002 0.000 1.149 588 L CA 0.707 55.549 54.840 0.004 0.000 0.872 588 L CB -0.669 41.394 42.059 0.006 0.000 0.992 588 L HN 0.525 nan 8.230 nan 0.000 0.447 589 A N 0.000 122.820 122.820 -0.000 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 589 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 589 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486