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 1z68_1_B DATA FIRST_RESID 39 DATA SEQUENCE MRALTLKDIL NGTFSYKTFF PNWISGQEYL HQSADNNIVL YNIETGQSYT DATA SEQUENCE ILSNRTMKSV NASNYGLSPD RQFVYLESDY SKLWRYSYTA TYYIYDLSNG DATA SEQUENCE EFVRGNELPR PIQYLCWSPV GSKLAYVYQN NIYLKQRPGD PPFQITFNGR DATA SEQUENCE ENKIFNGIPD WVYEEEMLAT KYALWWSPNG KFLAYAEFND TDIPVIAYSY DATA SEQUENCE YGDEQYPRTI NIPYPKAGAK NPVVRIFIID TTYPAYVGPQ EVPVPAMIAS DATA SEQUENCE SDYYFSWLTW VTDERVCLQW LKRVQNVSVL SIcDFREDWQ TWDcPKTQEH DATA SEQUENCE IEESRTGWAG GFFVSTPVFS YDAISYYKIF SDKDGYKHIH YIKDTVENAI DATA SEQUENCE QITSGKWEAI NIFRVTQDSL FYSSNEFEEY PGRRNIYRIS IGSYPPSKKC DATA SEQUENCE VTCHLRKERc QYYTASFSDY AKYYALVcYG PGIPISTLHD GRTDQEIKIL DATA SEQUENCE EENKELENAL KNIQLPKEEI KKLEVDEITL WYKMILPPQF DRSKKYPLLI DATA SEQUENCE QVYGGPCSQS VRSVFAVNWI SYLASKEGMV IALVDGRGTA FQGDKLLYAV DATA SEQUENCE YRKLGVYEVE DQITAVRKFI EMGFIDEKRI AIWGWSYGGY VSSLALASGT DATA SEQUENCE GLFKcGIAVA PVSSWEYYAS VYTERFMGLP TKDDNLEHYK NSTVMARAEY DATA SEQUENCE FRNVDYLLIH GTADDNVHFQ NSAQIAKALV NAQVDFQAMW YSDQNHGLSG DATA SEQUENCE LSTNHLYTHM THFLKQcFS 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.317 176.300 0.028 0.000 1.140 39 M CA 0.000 55.312 55.300 0.019 0.000 0.988 39 M CB 0.000 32.613 32.600 0.022 0.000 1.302 40 R N 0.163 120.682 120.500 0.031 0.000 2.604 40 R HA 0.844 5.176 4.340 -0.015 0.000 0.270 40 R C -1.099 175.230 176.300 0.048 0.000 1.052 40 R CA -0.353 55.775 56.100 0.046 0.000 0.902 40 R CB 1.339 31.677 30.300 0.062 0.000 1.233 40 R HN 0.012 nan 8.270 nan 0.000 0.455 41 A N 3.178 126.033 122.820 0.059 0.000 2.351 41 A HA 0.396 4.707 4.320 -0.015 0.000 0.257 41 A C -0.056 177.599 177.584 0.118 0.000 1.087 41 A CA -0.621 51.455 52.037 0.066 0.000 0.798 41 A CB 0.295 19.331 19.000 0.060 0.000 1.033 41 A HN 0.570 nan 8.150 nan 0.000 0.488 42 L N 1.269 122.571 121.223 0.132 0.000 2.559 42 L HA 0.149 4.480 4.340 -0.015 0.000 0.282 42 L C 1.145 178.223 176.870 0.346 0.000 1.232 42 L CA 1.227 56.208 54.840 0.236 0.000 0.885 42 L CB 0.088 42.292 42.059 0.242 0.000 1.131 42 L HN 0.855 nan 8.230 nan 0.000 0.498 43 T N 3.284 117.997 114.554 0.264 0.000 2.912 43 T HA 0.289 4.630 4.350 -0.015 0.000 0.288 43 T C 1.189 175.785 174.700 -0.174 0.000 1.030 43 T CA -0.778 61.429 62.100 0.178 0.000 1.020 43 T CB 0.774 69.715 68.868 0.122 0.000 1.056 43 T HN 0.543 nan 8.240 nan 0.000 0.480 44 L N 3.295 124.180 121.223 -0.563 0.000 2.127 44 L HA -0.076 4.255 4.340 -0.015 0.000 0.211 44 L C 2.425 179.087 176.870 -0.346 0.000 1.089 44 L CA 2.443 56.779 54.840 -0.840 0.000 0.757 44 L CB -0.460 41.231 42.059 -0.614 0.000 0.899 44 L HN 0.860 nan 8.230 nan 0.000 0.434 45 K N -1.125 119.162 120.400 -0.188 0.000 2.148 45 K HA -0.178 4.133 4.320 -0.015 0.000 0.204 45 K C 1.442 177.968 176.600 -0.124 0.000 1.050 45 K CA 1.541 57.754 56.287 -0.123 0.000 0.942 45 K CB -0.234 32.222 32.500 -0.073 0.000 0.724 45 K HN 0.164 nan 8.250 nan 0.000 0.446 46 D N 0.987 121.328 120.400 -0.099 0.000 2.123 46 D HA -0.157 4.474 4.640 -0.015 0.000 0.196 46 D C 1.826 178.061 176.300 -0.108 0.000 0.992 46 D CA 1.237 55.169 54.000 -0.112 0.000 0.833 46 D CB -0.114 40.766 40.800 0.132 0.000 0.954 46 D HN 0.269 nan 8.370 nan 0.000 0.455 47 I N 0.085 120.601 120.570 -0.091 0.000 2.406 47 I HA -0.137 4.024 4.170 -0.015 0.000 0.249 47 I C 2.123 178.159 176.117 -0.135 0.000 1.122 47 I CA 0.685 61.936 61.300 -0.082 0.000 1.431 47 I CB -0.040 37.909 38.000 -0.086 0.000 1.087 47 I HN -0.042 nan 8.210 nan 0.000 0.424 48 L N -0.675 120.453 121.223 -0.158 0.000 2.446 48 L HA 0.078 4.409 4.340 -0.015 0.000 0.219 48 L C 1.703 178.510 176.870 -0.105 0.000 1.116 48 L CA 0.608 55.366 54.840 -0.137 0.000 0.844 48 L CB -0.669 41.317 42.059 -0.122 0.000 0.970 48 L HN 0.205 nan 8.230 nan 0.000 0.457 49 N N 0.667 119.298 118.700 -0.116 0.000 2.398 49 N HA 0.029 4.760 4.740 -0.015 0.000 0.188 49 N C 1.347 176.784 175.510 -0.121 0.000 1.122 49 N CA 0.734 53.717 53.050 -0.111 0.000 0.866 49 N CB 0.271 38.685 38.487 -0.123 0.000 0.970 49 N HN 0.232 nan 8.380 nan 0.000 0.462 50 G N -0.309 108.418 108.800 -0.121 0.000 2.225 50 G HA2 -0.341 3.610 3.960 -0.015 0.000 0.267 50 G HA3 -0.341 3.610 3.960 -0.015 0.000 0.267 50 G C 1.017 175.820 174.900 -0.162 0.000 1.024 50 G CA 0.926 45.964 45.100 -0.104 0.000 0.784 50 G HN 0.375 nan 8.290 nan 0.000 0.507 51 T N -0.146 114.219 114.554 -0.315 0.000 2.680 51 T HA -0.200 4.141 4.350 -0.015 0.000 0.268 51 T C 1.230 175.562 174.700 -0.613 0.000 1.033 51 T CA 1.914 63.663 62.100 -0.586 0.000 1.152 51 T CB -0.249 68.020 68.868 -0.999 0.000 0.859 51 T HN 0.472 nan 8.240 nan 0.000 0.452 52 F N 1.792 121.773 119.950 0.051 0.000 2.963 52 F HA 0.402 4.921 4.527 -0.013 0.000 0.321 52 F C 0.964 176.853 175.800 0.147 0.000 1.234 52 F CA -1.365 56.699 58.000 0.106 0.000 1.296 52 F CB -0.451 38.623 39.000 0.123 0.000 0.981 52 F HN -0.004 nan 8.300 nan 0.000 0.507 53 S N 0.125 115.925 115.700 0.168 0.000 2.617 53 S HA 0.526 4.988 4.470 -0.015 0.000 0.269 53 S C -0.513 174.190 174.600 0.171 0.000 1.292 53 S CA -0.482 57.781 58.200 0.104 0.000 1.010 53 S CB 0.809 63.980 63.200 -0.048 0.000 0.944 53 S HN 0.343 nan 8.310 nan 0.000 0.536 54 Y N -0.760 119.645 120.300 0.175 0.000 2.496 54 Y HA 0.738 5.281 4.550 -0.012 0.000 0.331 54 Y C -0.209 175.747 175.900 0.093 0.000 1.140 54 Y CA -1.389 56.780 58.100 0.115 0.000 1.166 54 Y CB 0.987 39.502 38.460 0.092 0.000 1.249 54 Y HN 0.622 nan 8.280 nan 0.000 0.479 55 K N 1.187 121.739 120.400 0.253 0.000 2.164 55 K HA 0.473 4.784 4.320 -0.015 0.000 0.258 55 K C -0.751 175.991 176.600 0.237 0.000 0.951 55 K CA -0.762 55.628 56.287 0.172 0.000 0.844 55 K CB 2.025 34.590 32.500 0.108 0.000 1.099 55 K HN 0.907 nan 8.250 nan 0.000 0.435 56 T N 1.228 115.918 114.554 0.228 0.000 2.949 56 T HA 0.570 4.911 4.350 -0.015 0.000 0.287 56 T C -1.595 173.215 174.700 0.183 0.000 1.034 56 T CA -0.537 61.693 62.100 0.217 0.000 1.018 56 T CB 0.437 69.553 68.868 0.412 0.000 1.135 56 T HN 0.440 nan 8.240 nan 0.000 0.532 57 F N 2.464 122.343 119.950 -0.120 0.000 2.941 57 F HA 0.506 5.024 4.527 -0.015 0.000 0.359 57 F C -1.815 173.812 175.800 -0.289 0.000 1.231 57 F CA -0.917 56.995 58.000 -0.146 0.000 1.089 57 F CB 0.691 39.561 39.000 -0.216 0.000 1.407 57 F HN 0.476 nan 8.300 nan 0.000 0.538 58 F N 6.183 126.046 119.950 -0.146 0.000 2.308 58 F HA 0.428 4.946 4.527 -0.015 0.000 0.370 58 F C -2.055 173.551 175.800 -0.324 0.000 1.100 58 F CA -2.258 55.682 58.000 -0.101 0.000 1.108 58 F CB 0.786 39.780 39.000 -0.011 0.000 1.293 58 F HN 0.270 nan 8.300 nan 0.000 0.478 59 P HA -0.124 nan 4.420 nan 0.000 0.260 59 P C -0.203 176.671 177.300 -0.710 0.000 1.185 59 P CA 0.221 62.830 63.100 -0.819 0.000 0.763 59 P CB 0.340 30.984 31.700 -1.760 0.000 0.776 60 N N 3.615 122.160 118.700 -0.258 0.000 3.050 60 N HA 0.018 4.749 4.740 -0.015 0.000 0.289 60 N C -0.396 175.194 175.510 0.134 0.000 1.209 60 N CA -0.625 52.419 53.050 -0.009 0.000 1.154 60 N CB 0.033 38.583 38.487 0.104 0.000 1.444 60 N HN 0.359 nan 8.380 nan 0.000 0.529 61 W N 2.093 123.570 121.300 0.296 0.000 2.477 61 W HA -0.062 4.588 4.660 -0.016 0.000 0.339 61 W C 1.485 178.153 176.519 0.247 0.000 1.195 61 W CA -0.437 57.088 57.345 0.301 0.000 1.324 61 W CB 0.206 29.824 29.460 0.262 0.000 1.170 61 W HN 0.401 nan 8.180 nan 0.000 0.570 62 I N -0.519 120.341 120.570 0.484 0.000 4.338 62 I HA 0.332 4.494 4.170 -0.015 0.000 0.329 62 I C 0.558 176.831 176.117 0.261 0.000 1.378 62 I CA -0.140 61.345 61.300 0.309 0.000 1.170 62 I CB -0.086 38.050 38.000 0.228 0.000 1.206 62 I HN 0.286 nan 8.210 nan 0.000 0.432 63 S N -0.248 115.646 115.700 0.323 0.000 2.755 63 S HA 0.527 4.989 4.470 -0.015 0.000 0.286 63 S C 0.835 175.601 174.600 0.277 0.000 1.207 63 S CA -0.098 58.255 58.200 0.256 0.000 0.892 63 S CB 0.606 63.943 63.200 0.228 0.000 1.240 63 S HN 0.056 nan 8.310 nan 0.000 0.525 64 G N 0.506 109.471 108.800 0.274 0.000 2.448 64 G HA2 0.072 4.023 3.960 -0.015 0.000 0.218 64 G HA3 0.072 4.023 3.960 -0.015 0.000 0.218 64 G C 1.029 176.159 174.900 0.382 0.000 1.135 64 G CA 1.094 46.359 45.100 0.275 0.000 0.784 64 G HN 0.818 nan 8.290 nan 0.000 0.543 65 Q N -0.216 119.829 119.800 0.408 0.000 2.113 65 Q HA 0.236 4.567 4.340 -0.015 0.000 0.225 65 Q C -0.457 175.740 176.000 0.328 0.000 0.786 65 Q CA 0.028 56.098 55.803 0.444 0.000 0.989 65 Q CB 0.597 29.564 28.738 0.380 0.000 1.174 65 Q HN 0.420 nan 8.270 nan 0.000 0.470 66 E N 0.927 121.357 120.200 0.383 0.000 2.266 66 E HA 0.584 4.926 4.350 -0.015 0.000 0.268 66 E C -1.452 175.418 176.600 0.450 0.000 0.879 66 E CA -0.987 55.581 56.400 0.281 0.000 0.762 66 E CB 1.650 31.458 29.700 0.179 0.000 1.199 66 E HN 0.200 nan 8.360 nan 0.000 0.422 67 Y N -0.747 119.728 120.300 0.292 0.000 2.588 67 Y HA 0.578 5.120 4.550 -0.014 0.000 0.343 67 Y C -1.383 174.654 175.900 0.228 0.000 1.065 67 Y CA -1.414 56.811 58.100 0.209 0.000 1.038 67 Y CB 1.032 39.467 38.460 -0.042 0.000 1.297 67 Y HN 0.367 nan 8.280 nan 0.000 0.467 68 L N 4.728 126.194 121.223 0.405 0.000 2.504 68 L HA 0.349 4.680 4.340 -0.015 0.000 0.249 68 L C -0.277 176.784 176.870 0.318 0.000 1.120 68 L CA -0.584 54.424 54.840 0.281 0.000 0.997 68 L CB -0.500 41.720 42.059 0.268 0.000 1.349 68 L HN 0.903 nan 8.230 nan 0.000 0.439 69 H N -0.243 118.996 119.070 0.281 0.000 2.581 69 H HA 0.337 4.884 4.556 -0.014 0.000 0.369 69 H C -0.245 175.134 175.328 0.085 0.000 1.351 69 H CA -0.758 55.396 56.048 0.177 0.000 1.434 69 H CB 0.868 30.817 29.762 0.311 0.000 1.558 69 H HN 0.393 nan 8.280 nan 0.000 0.608 70 Q N 1.908 121.749 119.800 0.068 0.000 2.381 70 Q HA 0.256 4.587 4.340 -0.015 0.000 0.263 70 Q C -0.758 175.268 176.000 0.044 0.000 1.030 70 Q CA -0.867 54.919 55.803 -0.028 0.000 0.772 70 Q CB 0.946 29.695 28.738 0.019 0.000 1.232 70 Q HN 0.897 nan 8.270 nan 0.000 0.476 71 S N 2.147 117.847 115.700 0.000 0.000 2.553 71 S HA 0.015 4.476 4.470 -0.015 0.000 0.271 71 S C 1.323 175.951 174.600 0.046 0.000 1.362 71 S CA 0.133 58.378 58.200 0.074 0.000 1.010 71 S CB 0.839 64.049 63.200 0.016 0.000 0.865 71 S HN 0.776 nan 8.310 nan 0.000 0.543 72 A N 0.686 123.538 122.820 0.054 0.000 2.024 72 A HA -0.137 4.174 4.320 -0.015 0.000 0.220 72 A C 1.746 179.336 177.584 0.010 0.000 1.164 72 A CA 1.631 53.685 52.037 0.029 0.000 0.643 72 A CB -0.811 18.206 19.000 0.028 0.000 0.806 72 A HN 0.898 nan 8.150 nan 0.000 0.451 73 D N -0.012 120.391 120.400 0.004 0.000 2.371 73 D HA -0.071 4.560 4.640 -0.015 0.000 0.221 73 D C -0.147 176.139 176.300 -0.023 0.000 0.986 73 D CA 0.569 54.562 54.000 -0.011 0.000 0.899 73 D CB -0.187 40.604 40.800 -0.015 0.000 0.902 73 D HN 0.454 nan 8.370 nan 0.000 0.530 74 N N 0.389 119.074 118.700 -0.024 0.000 2.776 74 N HA -0.201 4.530 4.740 -0.015 0.000 0.249 74 N C 0.032 175.499 175.510 -0.071 0.000 1.111 74 N CA 0.411 53.438 53.050 -0.038 0.000 0.711 74 N CB -1.977 36.493 38.487 -0.028 0.000 1.065 74 N HN 0.406 nan 8.380 nan 0.000 0.556 75 N N 0.658 119.304 118.700 -0.090 0.000 2.325 75 N HA 0.167 4.898 4.740 -0.015 0.000 0.182 75 N C -0.273 175.122 175.510 -0.192 0.000 1.088 75 N CA -0.199 52.778 53.050 -0.122 0.000 0.879 75 N CB 0.354 38.784 38.487 -0.095 0.000 0.983 75 N HN 0.204 nan 8.380 nan 0.000 0.471 76 I N 1.212 121.637 120.570 -0.241 0.000 8.033 76 I HA -0.205 3.956 4.170 -0.015 0.000 0.126 76 I C -0.944 174.985 176.117 -0.313 0.000 1.834 76 I CA 0.378 61.468 61.300 -0.351 0.000 2.071 76 I CB -2.224 35.460 38.000 -0.526 0.000 3.728 76 I HN -0.218 nan 8.210 nan 0.000 0.180 77 V N 6.701 126.369 119.914 -0.411 0.000 2.435 77 V HA 0.492 4.604 4.120 -0.015 0.000 0.290 77 V C 0.216 176.155 176.094 -0.257 0.000 1.030 77 V CA -0.855 61.222 62.300 -0.372 0.000 0.881 77 V CB 2.048 33.565 31.823 -0.510 0.000 0.983 77 V HN 0.510 nan 8.190 nan 0.000 0.445 78 L N 6.139 127.320 121.223 -0.071 0.000 2.261 78 L HA 0.484 4.816 4.340 -0.015 0.000 0.289 78 L C -1.014 175.860 176.870 0.007 0.000 1.059 78 L CA -0.374 54.480 54.840 0.023 0.000 0.816 78 L CB 0.234 42.345 42.059 0.087 0.000 1.191 78 L HN 0.650 nan 8.230 nan 0.000 0.431 79 Y N 4.746 124.912 120.300 -0.223 0.000 2.353 79 Y HA 0.425 4.966 4.550 -0.015 0.000 0.340 79 Y C -0.012 175.668 175.900 -0.367 0.000 0.972 79 Y CA -0.392 57.484 58.100 -0.373 0.000 1.157 79 Y CB 0.862 38.990 38.460 -0.553 0.000 1.157 79 Y HN 0.875 nan 8.280 nan 0.000 0.495 80 N N 5.479 123.774 118.700 -0.675 0.000 2.422 80 N HA 0.206 4.937 4.740 -0.015 0.000 0.264 80 N C 0.643 175.656 175.510 -0.829 0.000 1.063 80 N CA -0.114 52.648 53.050 -0.480 0.000 0.959 80 N CB 0.688 39.053 38.487 -0.205 0.000 1.087 80 N HN 0.834 nan 8.380 nan 0.000 0.483 81 I N 2.232 122.542 120.570 -0.434 0.000 2.353 81 I HA -0.153 4.008 4.170 -0.015 0.000 0.248 81 I C 1.920 177.888 176.117 -0.249 0.000 1.119 81 I CA 0.930 62.038 61.300 -0.319 0.000 1.417 81 I CB -0.096 37.705 38.000 -0.331 0.000 1.078 81 I HN 0.702 nan 8.210 nan 0.000 0.421 82 E N 0.340 120.459 120.200 -0.135 0.000 2.028 82 E HA -0.209 4.132 4.350 -0.015 0.000 0.191 82 E C 2.271 178.830 176.600 -0.069 0.000 0.988 82 E CA 2.109 58.496 56.400 -0.021 0.000 0.799 82 E CB -0.051 29.691 29.700 0.071 0.000 0.755 82 E HN 0.551 nan 8.360 nan 0.000 0.447 83 T N -3.188 111.296 114.554 -0.116 0.000 2.942 83 T HA 0.069 4.411 4.350 -0.015 0.000 0.265 83 T C 1.721 176.320 174.700 -0.167 0.000 1.062 83 T CA 1.079 63.116 62.100 -0.106 0.000 1.139 83 T CB 0.150 68.977 68.868 -0.068 0.000 0.883 83 T HN 0.352 nan 8.240 nan 0.000 0.468 84 G N 0.650 109.254 108.800 -0.328 0.000 2.225 84 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.254 84 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.254 84 G C -0.010 174.660 174.900 -0.384 0.000 0.988 84 G CA 0.232 45.132 45.100 -0.334 0.000 0.625 84 G HN 0.762 nan 8.290 nan 0.000 0.527 85 Q N 0.832 120.383 119.800 -0.415 0.000 2.352 85 Q HA 0.517 4.848 4.340 -0.015 0.000 0.260 85 Q C -0.290 175.221 176.000 -0.815 0.000 0.976 85 Q CA 0.334 55.830 55.803 -0.512 0.000 0.881 85 Q CB 0.578 29.063 28.738 -0.422 0.000 1.235 85 Q HN 0.297 nan 8.270 nan 0.000 0.419 86 S N 2.852 118.167 115.700 -0.643 0.000 2.449 86 S HA 0.470 4.931 4.470 -0.015 0.000 0.310 86 S C -1.458 172.786 174.600 -0.593 0.000 1.096 86 S CA -0.570 57.345 58.200 -0.475 0.000 1.095 86 S CB 0.409 63.574 63.200 -0.058 0.000 1.007 86 S HN 0.353 nan 8.310 nan 0.000 0.474 87 Y N 0.455 120.736 120.300 -0.031 0.000 2.409 87 Y HA 0.545 5.086 4.550 -0.015 0.000 0.343 87 Y C 0.708 176.567 175.900 -0.069 0.000 0.973 87 Y CA -1.250 56.822 58.100 -0.048 0.000 1.064 87 Y CB 1.108 39.534 38.460 -0.056 0.000 1.207 87 Y HN 0.515 nan 8.280 nan 0.000 0.452 88 T N 2.075 116.665 114.554 0.061 0.000 2.728 88 T HA 0.368 4.709 4.350 -0.015 0.000 0.296 88 T C 0.768 175.446 174.700 -0.037 0.000 0.940 88 T CA -0.576 61.505 62.100 -0.031 0.000 1.013 88 T CB -0.119 68.713 68.868 -0.061 0.000 0.912 88 T HN 0.705 nan 8.240 nan 0.000 0.484 89 I N 2.924 123.450 120.570 -0.074 0.000 2.480 89 I HA 0.392 4.554 4.170 -0.015 0.000 0.251 89 I C 0.675 176.716 176.117 -0.128 0.000 1.124 89 I CA 0.479 61.730 61.300 -0.082 0.000 1.444 89 I CB 0.031 37.981 38.000 -0.083 0.000 1.098 89 I HN 0.450 nan 8.210 nan 0.000 0.428 90 L N 2.773 123.882 121.223 -0.190 0.000 2.514 90 L HA 0.373 4.704 4.340 -0.015 0.000 0.257 90 L C 0.116 176.846 176.870 -0.233 0.000 1.101 90 L CA -0.646 54.039 54.840 -0.258 0.000 0.911 90 L CB 1.259 43.121 42.059 -0.328 0.000 1.162 90 L HN 0.373 nan 8.230 nan 0.000 0.477 91 S N 0.913 116.502 115.700 -0.184 0.000 2.558 91 S HA -0.067 4.394 4.470 -0.015 0.000 0.287 91 S C 1.323 175.848 174.600 -0.125 0.000 1.321 91 S CA 0.239 58.360 58.200 -0.132 0.000 1.048 91 S CB 0.696 63.838 63.200 -0.096 0.000 0.844 91 S HN 0.780 nan 8.310 nan 0.000 0.512 92 N N 3.533 122.177 118.700 -0.093 0.000 2.060 92 N HA -0.294 4.437 4.740 -0.015 0.000 0.195 92 N C 1.526 177.004 175.510 -0.053 0.000 1.028 92 N CA 2.020 55.029 53.050 -0.068 0.000 0.861 92 N CB -0.583 37.875 38.487 -0.049 0.000 1.029 92 N HN 0.753 nan 8.380 nan 0.000 0.428 93 R N -0.380 120.092 120.500 -0.046 0.000 2.097 93 R HA -0.056 4.275 4.340 -0.015 0.000 0.236 93 R C 2.166 178.454 176.300 -0.019 0.000 1.135 93 R CA 2.355 58.439 56.100 -0.026 0.000 0.934 93 R CB -0.819 29.470 30.300 -0.018 0.000 0.846 93 R HN 0.344 nan 8.270 nan 0.000 0.431 94 T N 0.460 114.986 114.554 -0.047 0.000 2.759 94 T HA -0.215 4.126 4.350 -0.015 0.000 0.269 94 T C 1.640 176.336 174.700 -0.007 0.000 1.042 94 T CA 1.671 63.742 62.100 -0.049 0.000 1.140 94 T CB -0.181 68.521 68.868 -0.277 0.000 0.864 94 T HN 0.137 nan 8.240 nan 0.000 0.455 95 M N 0.798 120.365 119.600 -0.055 0.000 2.086 95 M HA 0.003 4.474 4.480 -0.015 0.000 0.261 95 M C 2.105 178.402 176.300 -0.006 0.000 1.067 95 M CA 1.564 56.852 55.300 -0.020 0.000 1.116 95 M CB -0.152 32.422 32.600 -0.043 0.000 1.348 95 M HN -0.138 nan 8.290 nan 0.000 0.407 96 K N -0.295 120.095 120.400 -0.016 0.000 2.148 96 K HA -0.051 4.260 4.320 -0.015 0.000 0.204 96 K C 1.962 178.543 176.600 -0.033 0.000 1.050 96 K CA 1.515 57.791 56.287 -0.019 0.000 0.942 96 K CB -0.394 32.096 32.500 -0.017 0.000 0.724 96 K HN 0.581 nan 8.250 nan 0.000 0.446 97 S N 0.427 116.113 115.700 -0.022 0.000 2.440 97 S HA -0.099 4.362 4.470 -0.015 0.000 0.238 97 S C 1.600 176.096 174.600 -0.172 0.000 1.010 97 S CA 1.174 59.345 58.200 -0.048 0.000 0.972 97 S CB -0.416 62.804 63.200 0.034 0.000 0.774 97 S HN 0.115 nan 8.310 nan 0.000 0.501 98 V N -0.328 119.458 119.914 -0.213 0.000 3.070 98 V HA 0.330 4.441 4.120 -0.015 0.000 0.345 98 V C 0.131 176.140 176.094 -0.143 0.000 1.403 98 V CA -0.524 61.548 62.300 -0.381 0.000 1.155 98 V CB -1.781 29.535 31.823 -0.845 0.000 1.140 98 V HN 0.645 nan 8.190 nan 0.000 0.505 99 N N 1.224 119.882 118.700 -0.070 0.000 2.974 99 N HA -0.222 4.509 4.740 -0.015 0.000 0.298 99 N C 0.342 175.864 175.510 0.019 0.000 1.048 99 N CA 0.554 53.595 53.050 -0.016 0.000 0.849 99 N CB -0.452 38.031 38.487 -0.007 0.000 0.952 99 N HN 0.963 nan 8.380 nan 0.000 0.615 100 A N 1.640 124.483 122.820 0.038 0.000 2.401 100 A HA 0.336 4.648 4.320 -0.015 0.000 0.259 100 A C 1.192 178.819 177.584 0.072 0.000 1.103 100 A CA -0.341 51.750 52.037 0.090 0.000 0.789 100 A CB 0.567 19.655 19.000 0.147 0.000 1.035 100 A HN 0.621 nan 8.150 nan 0.000 0.491 101 S N 1.733 117.468 115.700 0.059 0.000 2.575 101 S HA 0.147 4.608 4.470 -0.015 0.000 0.215 101 S C 0.533 175.159 174.600 0.045 0.000 0.966 101 S CA 0.209 58.416 58.200 0.013 0.000 0.911 101 S CB -0.352 62.803 63.200 -0.074 0.000 0.780 101 S HN 0.840 nan 8.310 nan 0.000 0.514 102 N N -0.429 118.349 118.700 0.130 0.000 3.227 102 N HA 0.403 5.134 4.740 -0.015 0.000 0.241 102 N C -2.280 173.409 175.510 0.299 0.000 1.480 102 N CA -0.748 52.408 53.050 0.177 0.000 0.886 102 N CB 1.422 39.954 38.487 0.075 0.000 1.406 102 N HN 0.206 nan 8.380 nan 0.000 0.514 103 Y N -1.940 118.429 120.300 0.115 0.000 2.689 103 Y HA 0.741 5.282 4.550 -0.015 0.000 0.333 103 Y C -1.155 174.552 175.900 -0.321 0.000 1.208 103 Y CA -0.853 57.227 58.100 -0.033 0.000 1.055 103 Y CB 1.254 39.697 38.460 -0.029 0.000 1.304 103 Y HN 0.509 nan 8.280 nan 0.000 0.455 104 G N 2.056 110.492 108.800 -0.606 0.000 2.413 104 G HA2 0.419 4.370 3.960 -0.015 0.000 0.285 104 G HA3 0.419 4.370 3.960 -0.015 0.000 0.285 104 G C -2.003 172.877 174.900 -0.033 0.000 1.337 104 G CA -0.792 43.949 45.100 -0.598 0.000 1.324 104 G HN 0.869 nan 8.290 nan 0.000 0.611 105 L N 2.653 123.938 121.223 0.104 0.000 2.453 105 L HA 0.324 4.655 4.340 -0.015 0.000 0.272 105 L C 1.350 178.056 176.870 -0.273 0.000 1.182 105 L CA -0.285 54.563 54.840 0.013 0.000 0.858 105 L CB 1.132 43.222 42.059 0.051 0.000 1.120 105 L HN 0.688 nan 8.230 nan 0.000 0.474 106 S N 4.071 119.334 115.700 -0.729 0.000 2.585 106 S HA 0.214 4.675 4.470 -0.015 0.000 0.273 106 S C -1.809 172.489 174.600 -0.504 0.000 1.339 106 S CA -1.124 56.289 58.200 -1.311 0.000 1.028 106 S CB 1.152 63.226 63.200 -1.877 0.000 0.906 106 S HN 0.479 nan 8.310 nan 0.000 0.528 107 P HA -0.110 nan 4.420 nan 0.000 0.219 107 P C 0.595 177.820 177.300 -0.124 0.000 1.146 107 P CA 1.403 64.419 63.100 -0.139 0.000 0.808 107 P CB -0.151 31.495 31.700 -0.090 0.000 0.779 108 D N -1.577 118.719 120.400 -0.174 0.000 2.328 108 D HA -0.039 4.592 4.640 -0.015 0.000 0.226 108 D C 0.671 176.889 176.300 -0.138 0.000 1.066 108 D CA -0.043 53.883 54.000 -0.122 0.000 0.861 108 D CB -0.499 40.243 40.800 -0.098 0.000 0.912 108 D HN -0.024 nan 8.370 nan 0.000 0.521 109 R N -0.651 119.749 120.500 -0.168 0.000 4.010 109 R HA -0.278 4.053 4.340 -0.015 0.000 0.409 109 R C 1.122 177.308 176.300 -0.190 0.000 1.120 109 R CA 1.372 57.384 56.100 -0.147 0.000 1.244 109 R CB -2.273 27.971 30.300 -0.094 0.000 1.799 109 R HN 0.406 nan 8.270 nan 0.000 0.559 110 Q N -0.203 119.450 119.800 -0.245 0.000 2.124 110 Q HA 0.029 4.360 4.340 -0.015 0.000 0.202 110 Q C 0.314 175.916 176.000 -0.663 0.000 0.977 110 Q CA 1.398 56.935 55.803 -0.444 0.000 0.850 110 Q CB 0.097 28.569 28.738 -0.445 0.000 0.901 110 Q HN 0.287 nan 8.270 nan 0.000 0.429 111 F N -1.294 118.558 119.950 -0.164 0.000 2.588 111 F HA 0.498 5.016 4.527 -0.015 0.000 0.314 111 F C -0.497 175.309 175.800 0.012 0.000 1.069 111 F CA -1.151 56.837 58.000 -0.020 0.000 0.931 111 F CB 1.889 40.945 39.000 0.094 0.000 1.260 111 F HN -0.364 nan 8.300 nan 0.000 0.465 112 V N 3.544 123.718 119.914 0.435 0.000 2.569 112 V HA 0.462 4.573 4.120 -0.015 0.000 0.301 112 V C -1.435 174.994 176.094 0.559 0.000 1.044 112 V CA -0.734 61.803 62.300 0.395 0.000 0.874 112 V CB 1.287 33.226 31.823 0.192 0.000 1.002 112 V HN 0.645 nan 8.190 nan 0.000 0.424 113 Y N 5.985 126.693 120.300 0.679 0.000 2.319 113 Y HA 0.764 5.305 4.550 -0.015 0.000 0.328 113 Y C -0.942 175.244 175.900 0.476 0.000 1.133 113 Y CA -0.791 57.627 58.100 0.530 0.000 1.265 113 Y CB 0.900 39.576 38.460 0.360 0.000 1.218 113 Y HN 0.485 nan 8.280 nan 0.000 0.508 114 L N 4.498 126.139 121.223 0.698 0.000 2.296 114 L HA 0.352 4.683 4.340 -0.015 0.000 0.286 114 L C -0.255 176.933 176.870 0.529 0.000 1.023 114 L CA -0.512 54.656 54.840 0.546 0.000 0.812 114 L CB 1.639 43.975 42.059 0.462 0.000 1.223 114 L HN 0.801 nan 8.230 nan 0.000 0.421 115 E N 2.451 122.885 120.200 0.389 0.000 2.151 115 E HA 0.708 5.050 4.350 -0.015 0.000 0.275 115 E C -1.116 175.501 176.600 0.027 0.000 0.936 115 E CA -0.273 56.131 56.400 0.006 0.000 0.777 115 E CB 1.048 30.854 29.700 0.178 0.000 1.108 115 E HN 0.725 nan 8.360 nan 0.000 0.401 116 S N 2.862 118.531 115.700 -0.052 0.000 2.903 116 S HA 0.328 4.789 4.470 -0.015 0.000 0.314 116 S C -0.736 173.880 174.600 0.027 0.000 1.177 116 S CA -0.823 57.408 58.200 0.052 0.000 0.859 116 S CB 0.703 63.985 63.200 0.136 0.000 1.265 116 S HN 0.637 nan 8.310 nan 0.000 0.584 117 D N 0.051 120.493 120.400 0.071 0.000 2.751 117 D HA -0.184 4.447 4.640 -0.015 0.000 0.233 117 D C -0.507 175.839 176.300 0.077 0.000 1.149 117 D CA 0.841 54.877 54.000 0.059 0.000 0.682 117 D CB -1.595 39.220 40.800 0.026 0.000 1.068 117 D HN 0.595 nan 8.370 nan 0.000 0.429 118 Y N 0.927 121.211 120.300 -0.025 0.000 2.721 118 Y HA 0.148 4.689 4.550 -0.015 0.000 0.329 118 Y C 0.275 176.172 175.900 -0.005 0.000 1.211 118 Y CA 0.452 58.532 58.100 -0.034 0.000 1.512 118 Y CB 0.621 38.994 38.460 -0.144 0.000 1.249 118 Y HN -0.034 nan 8.280 nan 0.000 0.549 119 S N 7.404 122.829 115.700 -0.457 0.000 2.779 119 S HA 0.293 4.755 4.470 -0.015 0.000 0.293 119 S C -0.963 173.369 174.600 -0.446 0.000 1.150 119 S CA -1.050 56.944 58.200 -0.345 0.000 1.057 119 S CB 0.378 63.497 63.200 -0.136 0.000 1.021 119 S HN 0.794 nan 8.310 nan 0.000 0.485 120 K N 4.835 124.981 120.400 -0.423 0.000 2.237 120 K HA 0.407 4.718 4.320 -0.015 0.000 0.270 120 K C -0.211 176.277 176.600 -0.187 0.000 1.015 120 K CA -0.499 55.627 56.287 -0.267 0.000 0.949 120 K CB 0.573 33.026 32.500 -0.079 0.000 0.976 120 K HN 0.666 nan 8.250 nan 0.000 0.472 121 L N 2.042 123.154 121.223 -0.185 0.000 3.192 121 L HA 0.343 4.674 4.340 -0.015 0.000 0.200 121 L C 0.426 177.163 176.870 -0.221 0.000 1.356 121 L CA -0.482 54.068 54.840 -0.483 0.000 2.253 121 L CB -0.054 41.565 42.059 -0.732 0.000 2.210 121 L HN 0.768 nan 8.230 nan 0.000 0.943 122 W N 0.064 121.461 121.300 0.163 0.000 1.896 122 W HA 0.265 4.916 4.660 -0.015 0.000 0.557 122 W C 1.769 178.323 176.519 0.060 0.000 2.048 122 W CA -0.691 56.739 57.345 0.141 0.000 2.331 122 W CB 0.050 29.553 29.460 0.071 0.000 2.223 122 W HN 0.165 nan 8.180 nan 0.000 0.777 123 R N -0.854 119.776 120.500 0.216 0.000 2.096 123 R HA -0.221 4.110 4.340 -0.015 0.000 0.240 123 R C 1.686 177.805 176.300 -0.300 0.000 1.139 123 R CA 2.268 58.272 56.100 -0.161 0.000 0.952 123 R CB -0.554 29.473 30.300 -0.454 0.000 0.854 123 R HN 0.575 nan 8.270 nan 0.000 0.436 124 Y N -0.922 119.497 120.300 0.198 0.000 2.558 124 Y HA 0.241 4.782 4.550 -0.015 0.000 0.273 124 Y C 1.009 177.064 175.900 0.259 0.000 1.100 124 Y CA -0.136 58.089 58.100 0.209 0.000 1.276 124 Y CB 0.328 38.859 38.460 0.119 0.000 1.196 124 Y HN 0.004 nan 8.280 nan 0.000 0.527 125 S N 1.228 117.118 115.700 0.316 0.000 2.592 125 S HA 0.450 4.911 4.470 -0.015 0.000 0.271 125 S C -0.878 173.839 174.600 0.194 0.000 1.326 125 S CA -0.376 57.930 58.200 0.175 0.000 1.024 125 S CB 0.513 63.762 63.200 0.081 0.000 0.921 125 S HN 0.365 nan 8.310 nan 0.000 0.527 126 Y N -2.456 117.858 120.300 0.022 0.000 2.661 126 Y HA 0.562 5.103 4.550 -0.015 0.000 0.339 126 Y C -0.734 175.146 175.900 -0.034 0.000 1.186 126 Y CA -0.943 57.086 58.100 -0.118 0.000 1.137 126 Y CB 0.245 38.549 38.460 -0.260 0.000 1.354 126 Y HN 0.892 nan 8.280 nan 0.000 0.469 127 T N 0.423 115.023 114.554 0.077 0.000 2.944 127 T HA 1.006 5.347 4.350 -0.015 0.000 0.284 127 T C -0.238 174.587 174.700 0.209 0.000 1.010 127 T CA -0.077 62.076 62.100 0.089 0.000 1.025 127 T CB 1.653 70.541 68.868 0.034 0.000 1.079 127 T HN 1.896 nan 8.240 nan 0.000 0.516 128 A N 0.492 123.415 122.820 0.171 0.000 2.601 128 A HA 0.707 5.018 4.320 -0.015 0.000 0.291 128 A C -0.240 177.268 177.584 -0.128 0.000 1.075 128 A CA -0.811 51.246 52.037 0.034 0.000 0.671 128 A CB 1.263 20.280 19.000 0.029 0.000 1.277 128 A HN 1.049 nan 8.150 nan 0.000 0.417 129 T N -0.189 114.201 114.554 -0.274 0.000 2.928 129 T HA 0.674 5.015 4.350 -0.015 0.000 0.284 129 T C -1.583 172.764 174.700 -0.589 0.000 1.008 129 T CA 0.001 61.910 62.100 -0.318 0.000 1.057 129 T CB 0.247 68.955 68.868 -0.268 0.000 1.018 129 T HN 0.426 nan 8.240 nan 0.000 0.493 130 Y N 2.844 122.932 120.300 -0.354 0.000 2.327 130 Y HA 0.423 4.964 4.550 -0.015 0.000 0.325 130 Y C -0.992 174.738 175.900 -0.282 0.000 0.999 130 Y CA -0.927 57.031 58.100 -0.236 0.000 1.195 130 Y CB 1.163 39.436 38.460 -0.312 0.000 1.132 130 Y HN 0.592 nan 8.280 nan 0.000 0.455 131 Y N 4.566 124.976 120.300 0.183 0.000 2.385 131 Y HA 0.417 4.958 4.550 -0.015 0.000 0.341 131 Y C 0.198 176.370 175.900 0.453 0.000 0.965 131 Y CA -1.156 57.075 58.100 0.218 0.000 1.180 131 Y CB 0.807 39.315 38.460 0.079 0.000 1.139 131 Y HN 0.538 nan 8.280 nan 0.000 0.502 132 I N 2.588 123.479 120.570 0.535 0.000 2.440 132 I HA 0.502 4.663 4.170 -0.015 0.000 0.294 132 I C -1.508 175.017 176.117 0.680 0.000 0.995 132 I CA -0.724 60.925 61.300 0.582 0.000 1.306 132 I CB 1.020 39.250 38.000 0.384 0.000 1.407 132 I HN 0.547 nan 8.210 nan 0.000 0.501 133 Y N 5.167 125.739 120.300 0.453 0.000 2.391 133 Y HA 0.419 4.960 4.550 -0.015 0.000 0.341 133 Y C -0.927 175.110 175.900 0.228 0.000 0.965 133 Y CA -0.844 57.351 58.100 0.159 0.000 1.067 133 Y CB 1.256 39.620 38.460 -0.159 0.000 1.199 133 Y HN 0.718 nan 8.280 nan 0.000 0.450 134 D N 6.114 126.386 120.400 -0.212 0.000 2.352 134 D HA 0.119 4.750 4.640 -0.015 0.000 0.245 134 D C 0.766 176.799 176.300 -0.445 0.000 1.224 134 D CA 0.383 54.226 54.000 -0.261 0.000 0.879 134 D CB 0.961 41.651 40.800 -0.185 0.000 1.057 134 D HN 0.875 nan 8.370 nan 0.000 0.491 135 L N 2.467 123.537 121.223 -0.255 0.000 2.083 135 L HA -0.188 4.143 4.340 -0.015 0.000 0.209 135 L C 2.334 179.103 176.870 -0.168 0.000 1.083 135 L CA 0.799 55.576 54.840 -0.105 0.000 0.752 135 L CB -0.210 41.806 42.059 -0.071 0.000 0.899 135 L HN 0.331 nan 8.230 nan 0.000 0.433 136 S N 0.073 115.628 115.700 -0.242 0.000 2.356 136 S HA -0.167 4.294 4.470 -0.015 0.000 0.223 136 S C 1.415 175.915 174.600 -0.166 0.000 1.032 136 S CA 1.686 59.770 58.200 -0.193 0.000 1.005 136 S CB -0.538 62.536 63.200 -0.210 0.000 0.867 136 S HN 0.558 nan 8.310 nan 0.000 0.449 137 N N 0.816 119.394 118.700 -0.202 0.000 2.398 137 N HA 0.264 4.995 4.740 -0.015 0.000 0.188 137 N C 0.965 176.349 175.510 -0.210 0.000 1.122 137 N CA 0.223 53.170 53.050 -0.171 0.000 0.866 137 N CB 0.123 38.522 38.487 -0.146 0.000 0.970 137 N HN 0.454 nan 8.380 nan 0.000 0.462 138 G N 1.941 110.580 108.800 -0.269 0.000 2.361 138 G HA2 -0.331 3.620 3.960 -0.015 0.000 0.294 138 G HA3 -0.331 3.620 3.960 -0.015 0.000 0.294 138 G C -0.138 174.473 174.900 -0.482 0.000 1.004 138 G CA 1.035 45.975 45.100 -0.266 0.000 0.870 138 G HN 0.636 nan 8.290 nan 0.000 0.510 139 E N -1.107 118.639 120.200 -0.755 0.000 2.392 139 E HA 0.701 5.042 4.350 -0.015 0.000 0.269 139 E C -0.752 175.414 176.600 -0.723 0.000 0.924 139 E CA -1.473 54.583 56.400 -0.573 0.000 0.784 139 E CB 1.091 30.680 29.700 -0.185 0.000 1.292 139 E HN 0.009 nan 8.360 nan 0.000 0.447 140 F N 0.601 120.473 119.950 -0.130 0.000 2.410 140 F HA 0.210 4.728 4.527 -0.015 0.000 0.334 140 F C 0.402 176.240 175.800 0.064 0.000 1.134 140 F CA -0.560 57.478 58.000 0.064 0.000 1.227 140 F CB 1.315 40.427 39.000 0.186 0.000 1.194 140 F HN 0.156 nan 8.300 nan 0.000 0.571 141 V N 4.143 124.260 119.914 0.338 0.000 2.461 141 V HA 0.185 4.296 4.120 -0.015 0.000 0.275 141 V C 0.571 176.768 176.094 0.173 0.000 1.047 141 V CA -0.202 62.232 62.300 0.222 0.000 0.955 141 V CB 1.359 33.310 31.823 0.214 0.000 0.988 141 V HN 0.686 nan 8.190 nan 0.000 0.471 142 R N 3.017 123.589 120.500 0.119 0.000 2.123 142 R HA 0.260 4.592 4.340 -0.015 0.000 0.209 142 R C 1.434 177.764 176.300 0.050 0.000 1.078 142 R CA 0.628 56.780 56.100 0.086 0.000 1.028 142 R CB -0.377 29.968 30.300 0.076 0.000 0.939 142 R HN 0.861 nan 8.270 nan 0.000 0.463 143 G N 1.547 110.374 108.800 0.044 0.000 2.464 143 G HA2 -0.123 3.828 3.960 -0.015 0.000 0.231 143 G HA3 -0.123 3.828 3.960 -0.015 0.000 0.231 143 G C -0.634 174.268 174.900 0.004 0.000 1.267 143 G CA -0.065 45.050 45.100 0.024 0.000 0.863 143 G HN 0.528 nan 8.290 nan 0.000 0.559 144 N N 0.828 119.523 118.700 -0.008 0.000 2.843 144 N HA -0.178 4.554 4.740 -0.015 0.000 0.303 144 N C 0.192 175.661 175.510 -0.068 0.000 1.092 144 N CA 1.054 54.083 53.050 -0.035 0.000 0.802 144 N CB -0.378 38.094 38.487 -0.026 0.000 0.984 144 N HN 0.668 nan 8.380 nan 0.000 0.595 145 E N 1.088 121.241 120.200 -0.078 0.000 2.467 145 E HA -0.063 4.278 4.350 -0.015 0.000 0.264 145 E C 0.774 177.245 176.600 -0.214 0.000 1.020 145 E CA 0.104 56.431 56.400 -0.123 0.000 0.945 145 E CB 0.709 30.340 29.700 -0.116 0.000 0.942 145 E HN 0.418 nan 8.360 nan 0.000 0.449 146 L N 3.804 124.851 121.223 -0.293 0.000 2.461 146 L HA 0.124 4.456 4.340 -0.015 0.000 0.272 146 L C -1.518 175.066 176.870 -0.476 0.000 1.197 146 L CA -1.478 53.075 54.840 -0.479 0.000 0.836 146 L CB -0.289 41.422 42.059 -0.580 0.000 1.105 146 L HN 0.351 nan 8.230 nan 0.000 0.477 147 P HA 0.219 nan 4.420 nan 0.000 0.272 147 P C -0.805 176.207 177.300 -0.479 0.000 1.240 147 P CA -0.398 62.298 63.100 -0.673 0.000 0.791 147 P CB 0.832 31.713 31.700 -1.366 0.000 0.978 148 R N 0.267 120.592 120.500 -0.292 0.000 2.700 148 R HA 0.446 4.777 4.340 -0.015 0.000 0.253 148 R C -1.986 174.366 176.300 0.086 0.000 1.091 148 R CA -1.861 54.172 56.100 -0.111 0.000 1.104 148 R CB -0.288 29.956 30.300 -0.093 0.000 1.202 148 R HN 0.371 nan 8.270 nan 0.000 0.532 149 P HA -0.239 nan 4.420 nan 0.000 0.220 149 P C -1.003 176.434 177.300 0.228 0.000 1.007 149 P CA 1.288 64.460 63.100 0.121 0.000 0.829 149 P CB -0.223 31.532 31.700 0.092 0.000 0.752 150 I N 3.025 123.698 120.570 0.172 0.000 2.385 150 I HA 0.099 4.261 4.170 -0.015 0.000 0.294 150 I C 1.700 177.919 176.117 0.171 0.000 0.988 150 I CA -0.324 61.092 61.300 0.194 0.000 1.265 150 I CB 1.489 39.532 38.000 0.072 0.000 1.388 150 I HN 0.298 nan 8.210 nan 0.000 0.480 151 Q N 4.390 124.280 119.800 0.150 0.000 2.373 151 Q HA 0.130 4.461 4.340 -0.015 0.000 0.210 151 Q C -0.668 175.402 176.000 0.116 0.000 0.913 151 Q CA 0.747 56.610 55.803 0.099 0.000 0.911 151 Q CB 0.805 29.609 28.738 0.110 0.000 1.040 151 Q HN 0.611 nan 8.270 nan 0.000 0.521 152 Y N -0.275 119.997 120.300 -0.046 0.000 2.552 152 Y HA 0.542 5.083 4.550 -0.015 0.000 0.337 152 Y C -2.045 173.743 175.900 -0.188 0.000 1.094 152 Y CA -1.343 56.690 58.100 -0.112 0.000 1.028 152 Y CB 1.688 40.124 38.460 -0.039 0.000 1.321 152 Y HN -0.028 nan 8.280 nan 0.000 0.456 153 L N 6.343 126.899 121.223 -1.112 0.000 2.545 153 L HA 0.822 5.153 4.340 -0.015 0.000 0.258 153 L C -1.891 174.260 176.870 -1.198 0.000 0.942 153 L CA -0.280 53.942 54.840 -1.029 0.000 0.855 153 L CB 1.727 43.037 42.059 -1.249 0.000 1.374 153 L HN 0.957 nan 8.230 nan 0.000 0.411 154 C N -0.442 118.406 119.300 -0.753 0.000 3.285 154 C HA 0.652 5.103 4.460 -0.015 0.000 0.325 154 C C -0.819 174.052 174.990 -0.199 0.000 1.304 154 C CA -1.040 57.731 59.018 -0.411 0.000 1.319 154 C CB 0.435 28.045 27.740 -0.217 0.000 1.640 154 C HN 0.972 nan 8.230 nan 0.000 0.477 155 W N 2.235 123.555 121.300 0.034 0.000 2.129 155 W HA 0.505 5.156 4.660 -0.015 0.000 0.349 155 W C 1.148 177.437 176.519 -0.383 0.000 1.279 155 W CA 0.321 57.622 57.345 -0.073 0.000 1.306 155 W CB 0.787 30.238 29.460 -0.014 0.000 1.140 155 W HN 0.961 nan 8.180 nan 0.000 0.613 156 S N 0.957 116.325 115.700 -0.553 0.000 2.596 156 S HA 0.124 4.585 4.470 -0.015 0.000 0.260 156 S C -1.840 172.470 174.600 -0.484 0.000 1.336 156 S CA -0.876 56.480 58.200 -1.406 0.000 0.993 156 S CB 0.567 62.865 63.200 -1.502 0.000 0.923 156 S HN 0.289 nan 8.310 nan 0.000 0.567 157 P HA 0.114 nan 4.420 nan 0.000 0.229 157 P C 0.216 177.465 177.300 -0.086 0.000 1.160 157 P CA 0.463 63.506 63.100 -0.094 0.000 0.777 157 P CB -0.186 31.501 31.700 -0.021 0.000 0.814 158 V N -6.281 113.548 119.914 -0.143 0.000 3.078 158 V HA 0.892 5.004 4.120 -0.015 0.000 0.311 158 V C 0.366 176.380 176.094 -0.133 0.000 1.138 158 V CA -0.343 61.897 62.300 -0.101 0.000 1.007 158 V CB 1.054 32.840 31.823 -0.060 0.000 1.045 158 V HN 0.391 nan 8.190 nan 0.000 0.432 159 G N 2.659 111.401 108.800 -0.098 0.000 2.569 159 G HA2 -0.034 3.917 3.960 -0.015 0.000 0.259 159 G HA3 -0.034 3.917 3.960 -0.015 0.000 0.259 159 G C 0.267 175.102 174.900 -0.109 0.000 1.263 159 G CA 0.612 45.662 45.100 -0.084 0.000 0.928 159 G HN 2.556 nan 8.290 nan 0.000 0.572 160 S N -0.959 114.722 115.700 -0.032 0.000 2.694 160 S HA 0.550 5.011 4.470 -0.015 0.000 0.232 160 S C -0.187 174.590 174.600 0.295 0.000 1.017 160 S CA -0.117 58.108 58.200 0.041 0.000 1.139 160 S CB 0.800 64.029 63.200 0.049 0.000 1.247 160 S HN 0.742 nan 8.310 nan 0.000 0.452 161 K N 1.026 121.518 120.400 0.153 0.000 2.144 161 K HA 0.521 4.832 4.320 -0.015 0.000 0.270 161 K C -0.917 175.791 176.600 0.180 0.000 1.005 161 K CA -0.709 55.647 56.287 0.114 0.000 0.932 161 K CB 0.630 33.092 32.500 -0.063 0.000 1.021 161 K HN 0.169 nan 8.250 nan 0.000 0.462 162 L N 1.821 123.138 121.223 0.157 0.000 2.329 162 L HA 0.534 4.865 4.340 -0.015 0.000 0.279 162 L C -0.523 176.534 176.870 0.312 0.000 1.014 162 L CA -0.418 54.456 54.840 0.055 0.000 0.814 162 L CB 1.383 43.364 42.059 -0.130 0.000 1.257 162 L HN 0.771 nan 8.230 nan 0.000 0.424 163 A N 3.916 126.930 122.820 0.324 0.000 2.355 163 A HA 0.788 5.099 4.320 -0.015 0.000 0.317 163 A C -1.457 176.139 177.584 0.020 0.000 1.094 163 A CA -0.393 51.727 52.037 0.138 0.000 0.764 163 A CB 1.080 20.098 19.000 0.030 0.000 1.230 163 A HN 0.660 nan 8.150 nan 0.000 0.448 164 Y N -0.545 119.694 120.300 -0.102 0.000 2.615 164 Y HA 0.774 5.315 4.550 -0.015 0.000 0.341 164 Y C -1.229 174.676 175.900 0.008 0.000 1.089 164 Y CA -1.604 56.409 58.100 -0.145 0.000 1.049 164 Y CB 1.256 39.566 38.460 -0.251 0.000 1.296 164 Y HN 0.381 nan 8.280 nan 0.000 0.470 165 V N 2.892 122.941 119.914 0.226 0.000 2.444 165 V HA 0.379 4.491 4.120 -0.015 0.000 0.294 165 V C -1.482 174.823 176.094 0.351 0.000 1.022 165 V CA -0.745 61.679 62.300 0.207 0.000 0.850 165 V CB 1.052 32.968 31.823 0.154 0.000 0.992 165 V HN 0.841 nan 8.190 nan 0.000 0.426 166 Y N 3.324 123.766 120.300 0.237 0.000 2.373 166 Y HA 0.447 4.988 4.550 -0.015 0.000 0.336 166 Y C 0.512 176.494 175.900 0.137 0.000 0.979 166 Y CA -0.615 57.593 58.100 0.181 0.000 1.080 166 Y CB 1.697 40.253 38.460 0.160 0.000 1.190 166 Y HN 0.764 nan 8.280 nan 0.000 0.446 167 Q N 5.733 125.236 119.800 -0.496 0.000 2.435 167 Q HA -0.411 3.920 4.340 -0.015 0.000 0.312 167 Q C 0.142 176.015 176.000 -0.212 0.000 1.333 167 Q CA 1.300 56.832 55.803 -0.450 0.000 0.883 167 Q CB -1.236 27.087 28.738 -0.691 0.000 1.170 167 Q HN 1.010 nan 8.270 nan 0.000 0.443 168 N N -1.550 117.082 118.700 -0.113 0.000 2.828 168 N HA -0.201 4.530 4.740 -0.015 0.000 0.248 168 N C -0.817 174.641 175.510 -0.085 0.000 1.044 168 N CA 0.736 53.734 53.050 -0.087 0.000 0.851 168 N CB -0.362 37.999 38.487 -0.211 0.000 1.136 168 N HN 0.431 nan 8.380 nan 0.000 0.572 169 N N 0.618 119.268 118.700 -0.084 0.000 2.272 169 N HA 0.478 5.209 4.740 -0.015 0.000 0.305 169 N C -0.366 174.973 175.510 -0.285 0.000 1.103 169 N CA -0.365 52.546 53.050 -0.231 0.000 0.791 169 N CB 1.578 39.860 38.487 -0.341 0.000 1.356 169 N HN 0.057 nan 8.380 nan 0.000 0.486 170 I N 1.944 122.198 120.570 -0.528 0.000 2.428 170 I HA 0.224 4.385 4.170 -0.015 0.000 0.289 170 I C -0.607 175.001 176.117 -0.849 0.000 1.019 170 I CA -0.192 60.779 61.300 -0.549 0.000 1.351 170 I CB 0.347 37.972 38.000 -0.625 0.000 1.412 170 I HN 0.319 nan 8.210 nan 0.000 0.513 171 Y N 5.707 125.612 120.300 -0.659 0.000 2.524 171 Y HA 0.668 5.209 4.550 -0.015 0.000 0.344 171 Y C -0.478 175.083 175.900 -0.565 0.000 1.012 171 Y CA -0.799 56.845 58.100 -0.761 0.000 1.068 171 Y CB 2.027 39.667 38.460 -1.367 0.000 1.249 171 Y HN 0.357 nan 8.280 nan 0.000 0.468 172 L N 2.581 123.741 121.223 -0.104 0.000 2.386 172 L HA 0.634 4.965 4.340 -0.015 0.000 0.271 172 L C -1.498 175.459 176.870 0.145 0.000 0.993 172 L CA -0.631 54.234 54.840 0.042 0.000 0.819 172 L CB 1.562 43.663 42.059 0.069 0.000 1.294 172 L HN 0.605 nan 8.230 nan 0.000 0.414 173 K N 2.935 123.436 120.400 0.167 0.000 2.463 173 K HA 0.261 4.572 4.320 -0.015 0.000 0.255 173 K C -0.222 176.454 176.600 0.127 0.000 0.942 173 K CA -0.710 55.663 56.287 0.143 0.000 0.814 173 K CB 2.284 34.858 32.500 0.122 0.000 1.122 173 K HN 0.505 nan 8.250 nan 0.000 0.425 174 Q N 1.359 121.211 119.800 0.086 0.000 2.167 174 Q HA 0.021 4.352 4.340 -0.015 0.000 0.202 174 Q C -0.137 175.896 176.000 0.055 0.000 0.970 174 Q CA 1.498 57.337 55.803 0.060 0.000 0.855 174 Q CB 0.323 29.071 28.738 0.018 0.000 0.911 174 Q HN 0.323 nan 8.270 nan 0.000 0.438 175 R N -1.853 118.670 120.500 0.038 0.000 2.626 175 R HA 0.189 4.520 4.340 -0.015 0.000 0.274 175 R C -2.268 173.990 176.300 -0.070 0.000 1.031 175 R CA -1.924 54.176 56.100 -0.001 0.000 0.898 175 R CB 1.369 31.682 30.300 0.021 0.000 1.222 175 R HN -0.145 nan 8.270 nan 0.000 0.455 176 P HA -0.198 nan 4.420 nan 0.000 0.220 176 P C 0.747 177.966 177.300 -0.134 0.000 1.155 176 P CA 1.893 64.820 63.100 -0.289 0.000 0.880 176 P CB 0.229 31.428 31.700 -0.835 0.000 0.790 177 G N -2.441 106.312 108.800 -0.078 0.000 3.284 177 G HA2 0.012 3.963 3.960 -0.015 0.000 0.236 177 G HA3 0.012 3.963 3.960 -0.015 0.000 0.236 177 G C -0.027 174.875 174.900 0.004 0.000 1.158 177 G CA -0.112 44.981 45.100 -0.011 0.000 0.774 177 G HN 0.172 nan 8.290 nan 0.000 0.545 178 D N 1.242 121.646 120.400 0.007 0.000 2.329 178 D HA 0.271 4.902 4.640 -0.015 0.000 0.246 178 D C -2.140 174.182 176.300 0.037 0.000 1.111 178 D CA -1.555 52.462 54.000 0.029 0.000 0.941 178 D CB 1.409 42.233 40.800 0.040 0.000 1.169 178 D HN 0.024 nan 8.370 nan 0.000 0.441 179 P HA 0.147 nan 4.420 nan 0.000 0.271 179 P C -2.453 174.908 177.300 0.101 0.000 1.220 179 P CA -1.038 62.096 63.100 0.056 0.000 0.768 179 P CB -0.157 31.577 31.700 0.057 0.000 0.848 180 P HA 0.165 nan 4.420 nan 0.000 0.271 180 P C -0.924 176.506 177.300 0.217 0.000 1.218 180 P CA -0.040 63.166 63.100 0.175 0.000 0.780 180 P CB 0.449 32.248 31.700 0.164 0.000 0.901 181 F N 1.890 121.883 119.950 0.073 0.000 2.404 181 F HA 0.285 4.803 4.527 -0.015 0.000 0.354 181 F C 0.647 176.407 175.800 -0.067 0.000 1.122 181 F CA -0.747 57.270 58.000 0.029 0.000 1.080 181 F CB 1.367 40.369 39.000 0.003 0.000 1.131 181 F HN 0.266 nan 8.300 nan 0.000 0.471 182 Q N 5.837 125.229 119.800 -0.680 0.000 2.296 182 Q HA 0.258 4.589 4.340 -0.015 0.000 0.262 182 Q C 0.191 175.548 176.000 -1.072 0.000 0.981 182 Q CA 0.080 55.314 55.803 -0.949 0.000 0.905 182 Q CB 0.890 29.113 28.738 -0.858 0.000 1.186 182 Q HN 0.952 nan 8.270 nan 0.000 0.399 183 I N 1.886 121.908 120.570 -0.915 0.000 2.810 183 I HA 0.017 4.178 4.170 -0.015 0.000 0.262 183 I C 0.839 176.515 176.117 -0.735 0.000 1.131 183 I CA 0.512 61.465 61.300 -0.578 0.000 1.453 183 I CB 0.488 38.235 38.000 -0.422 0.000 1.161 183 I HN 0.662 nan 8.210 nan 0.000 0.444 184 T N -2.870 111.112 114.554 -0.954 0.000 2.912 184 T HA 0.464 4.806 4.350 -0.015 0.000 0.288 184 T C -0.235 173.919 174.700 -0.909 0.000 1.030 184 T CA -0.480 61.189 62.100 -0.718 0.000 1.020 184 T CB 1.865 70.436 68.868 -0.494 0.000 1.056 184 T HN 0.009 nan 8.240 nan 0.000 0.480 185 F N 0.539 120.352 119.950 -0.228 0.000 2.789 185 F HA 0.240 4.758 4.527 -0.015 0.000 0.320 185 F C 1.816 177.545 175.800 -0.119 0.000 1.079 185 F CA -0.699 57.197 58.000 -0.173 0.000 1.205 185 F CB 0.089 39.002 39.000 -0.144 0.000 1.046 185 F HN 0.599 nan 8.300 nan 0.000 0.586 186 N N 0.712 119.448 118.700 0.060 0.000 2.322 186 N HA 0.111 4.843 4.740 -0.015 0.000 0.194 186 N C 0.816 176.315 175.510 -0.019 0.000 1.126 186 N CA 0.313 53.381 53.050 0.030 0.000 0.845 186 N CB -0.609 37.903 38.487 0.042 0.000 0.976 186 N HN 0.083 nan 8.380 nan 0.000 0.475 187 G N 0.450 109.213 108.800 -0.063 0.000 2.391 187 G HA2 0.189 4.140 3.960 -0.015 0.000 0.234 187 G HA3 0.189 4.140 3.960 -0.015 0.000 0.234 187 G C -0.533 174.299 174.900 -0.114 0.000 1.284 187 G CA -0.393 44.646 45.100 -0.103 0.000 0.873 187 G HN 0.418 nan 8.290 nan 0.000 0.549 188 R N 1.464 121.860 120.500 -0.173 0.000 2.522 188 R HA 0.130 4.461 4.340 -0.015 0.000 0.273 188 R C -0.518 175.632 176.300 -0.250 0.000 1.133 188 R CA -0.718 55.285 56.100 -0.162 0.000 0.969 188 R CB 1.549 31.791 30.300 -0.097 0.000 1.235 188 R HN 0.752 nan 8.270 nan 0.000 0.433 189 E N 4.138 124.217 120.200 -0.201 0.000 2.966 189 E HA -0.178 4.164 4.350 -0.015 0.000 0.254 189 E C -0.105 176.385 176.600 -0.184 0.000 0.923 189 E CA 0.688 56.974 56.400 -0.191 0.000 0.960 189 E CB 0.290 29.928 29.700 -0.102 0.000 0.901 189 E HN 0.619 nan 8.360 nan 0.000 0.525 190 N N 4.904 123.454 118.700 -0.250 0.000 2.837 190 N HA -0.279 4.452 4.740 -0.015 0.000 0.293 190 N C -0.345 175.169 175.510 0.005 0.000 1.035 190 N CA 0.795 53.804 53.050 -0.067 0.000 0.831 190 N CB -0.065 38.617 38.487 0.325 0.000 0.957 190 N HN 0.540 nan 8.380 nan 0.000 0.594 191 K N 0.019 120.343 120.400 -0.127 0.000 2.868 191 K HA 0.341 4.653 4.320 -0.015 0.000 0.197 191 K C 0.434 177.083 176.600 0.082 0.000 1.543 191 K CA 0.445 56.755 56.287 0.039 0.000 1.212 191 K CB 0.792 33.291 32.500 -0.002 0.000 1.840 191 K HN 0.307 nan 8.250 nan 0.000 0.571 192 I N 1.750 122.249 120.570 -0.118 0.000 2.499 192 I HA 0.327 4.489 4.170 -0.015 0.000 0.288 192 I C -1.420 174.605 176.117 -0.153 0.000 1.048 192 I CA -0.771 60.548 61.300 0.033 0.000 1.062 192 I CB 1.699 39.722 38.000 0.039 0.000 1.238 192 I HN -0.140 nan 8.210 nan 0.000 0.426 193 F N 4.458 124.510 119.950 0.170 0.000 2.449 193 F HA 0.457 4.976 4.527 -0.014 0.000 0.342 193 F C 0.182 176.076 175.800 0.158 0.000 1.127 193 F CA -0.793 57.317 58.000 0.184 0.000 0.975 193 F CB 1.231 40.409 39.000 0.297 0.000 1.146 193 F HN 0.331 nan 8.300 nan 0.000 0.444 194 N N 1.880 120.701 118.700 0.201 0.000 2.408 194 N HA 0.356 5.087 4.740 -0.015 0.000 0.280 194 N C 0.842 176.397 175.510 0.074 0.000 1.002 194 N CA 0.141 53.254 53.050 0.105 0.000 0.907 194 N CB 1.937 40.380 38.487 -0.072 0.000 1.161 194 N HN 0.932 nan 8.380 nan 0.000 0.488 195 G N 1.569 110.426 108.800 0.095 0.000 2.166 195 G HA2 -0.270 3.681 3.960 -0.015 0.000 0.260 195 G HA3 -0.270 3.681 3.960 -0.015 0.000 0.260 195 G C 0.052 174.983 174.900 0.052 0.000 0.986 195 G CA 0.997 46.114 45.100 0.028 0.000 0.683 195 G HN 0.694 nan 8.290 nan 0.000 0.527 196 I N -3.396 117.284 120.570 0.183 0.000 2.865 196 I HA 0.751 4.912 4.170 -0.015 0.000 0.302 196 I C -2.478 173.803 176.117 0.274 0.000 1.140 196 I CA -3.239 58.158 61.300 0.162 0.000 1.021 196 I CB 2.360 40.465 38.000 0.174 0.000 1.233 196 I HN -0.116 nan 8.210 nan 0.000 0.427 197 P HA 0.174 nan 4.420 nan 0.000 0.275 197 P C -1.244 175.663 177.300 -0.654 0.000 1.266 197 P CA 0.034 62.895 63.100 -0.398 0.000 0.793 197 P CB 0.630 32.161 31.700 -0.282 0.000 1.074 198 D N -1.216 118.497 120.400 -1.145 0.000 2.539 198 D HA 0.032 4.663 4.640 -0.015 0.000 0.280 198 D C 1.334 177.411 176.300 -0.372 0.000 1.208 198 D CA -0.469 52.830 54.000 -1.169 0.000 1.088 198 D CB -0.597 39.514 40.800 -1.148 0.000 1.149 198 D HN 0.355 nan 8.370 nan 0.000 0.596 199 W N -0.240 120.903 121.300 -0.262 0.000 2.332 199 W HA -0.195 4.456 4.660 -0.015 0.000 0.321 199 W C 2.211 178.604 176.519 -0.209 0.000 1.219 199 W CA 2.196 59.437 57.345 -0.174 0.000 1.277 199 W CB -0.500 28.830 29.460 -0.216 0.000 1.161 199 W HN 0.156 nan 8.180 nan 0.000 0.476 200 V N 0.011 120.026 119.914 0.169 0.000 2.407 200 V HA -0.321 3.791 4.120 -0.015 0.000 0.248 200 V C 1.863 177.828 176.094 -0.216 0.000 1.055 200 V CA 2.102 64.412 62.300 0.016 0.000 1.049 200 V CB -0.725 31.087 31.823 -0.019 0.000 0.662 200 V HN 0.326 nan 8.190 nan 0.000 0.455 201 Y N 0.327 120.444 120.300 -0.305 0.000 2.337 201 Y HA -0.083 4.459 4.550 -0.014 0.000 0.293 201 Y C 2.500 178.237 175.900 -0.271 0.000 1.123 201 Y CA 1.803 59.724 58.100 -0.297 0.000 1.201 201 Y CB -0.010 38.142 38.460 -0.513 0.000 1.011 201 Y HN 0.386 nan 8.280 nan 0.000 0.545 202 E N 0.532 120.626 120.200 -0.176 0.000 2.007 202 E HA -0.304 4.038 4.350 -0.015 0.000 0.194 202 E C 1.971 178.489 176.600 -0.137 0.000 0.999 202 E CA 1.669 57.981 56.400 -0.147 0.000 0.811 202 E CB -0.047 29.592 29.700 -0.101 0.000 0.762 202 E HN 0.394 nan 8.360 nan 0.000 0.450 203 E N -0.210 119.772 120.200 -0.363 0.000 2.216 203 E HA -0.139 4.202 4.350 -0.015 0.000 0.192 203 E C 1.455 178.049 176.600 -0.010 0.000 0.988 203 E CA 1.223 57.462 56.400 -0.267 0.000 0.834 203 E CB 0.263 29.469 29.700 -0.824 0.000 0.772 203 E HN 0.237 nan 8.360 nan 0.000 0.479 204 E N -1.184 118.971 120.200 -0.075 0.000 2.434 204 E HA 0.104 4.445 4.350 -0.015 0.000 0.207 204 E C 1.227 177.897 176.600 0.116 0.000 0.929 204 E CA 0.278 56.719 56.400 0.067 0.000 1.001 204 E CB 0.395 30.042 29.700 -0.088 0.000 1.016 204 E HN 0.286 nan 8.360 nan 0.000 0.502 205 M N -0.352 119.205 119.600 -0.072 0.000 3.049 205 M HA 0.225 4.696 4.480 -0.015 0.000 0.234 205 M C 1.503 177.632 176.300 -0.285 0.000 1.632 205 M CA 0.946 56.151 55.300 -0.158 0.000 1.259 205 M CB 0.152 32.519 32.600 -0.388 0.000 1.199 205 M HN -0.048 nan 8.290 nan 0.000 0.580 206 L N 0.295 121.408 121.223 -0.184 0.000 2.202 206 L HA 0.327 4.658 4.340 -0.015 0.000 0.205 206 L C 1.160 177.689 176.870 -0.569 0.000 1.083 206 L CA 0.567 55.251 54.840 -0.261 0.000 0.790 206 L CB -0.609 41.496 42.059 0.077 0.000 0.942 206 L HN 0.502 nan 8.230 nan 0.000 0.452 207 A N 0.416 122.958 122.820 -0.462 0.000 2.822 207 A HA -0.204 4.107 4.320 -0.015 0.000 0.287 207 A C 0.461 177.300 177.584 -1.241 0.000 1.479 207 A CA 1.233 52.869 52.037 -0.668 0.000 0.779 207 A CB -2.047 16.661 19.000 -0.487 0.000 1.022 207 A HN 0.402 nan 8.150 nan 0.000 0.532 208 T N -1.811 112.237 114.554 -0.844 0.000 2.889 208 T HA 0.550 4.891 4.350 -0.015 0.000 0.315 208 T C 0.674 175.134 174.700 -0.399 0.000 1.291 208 T CA -0.018 61.668 62.100 -0.690 0.000 1.028 208 T CB 1.198 69.621 68.868 -0.742 0.000 1.235 208 T HN 0.794 nan 8.240 nan 0.000 0.491 209 K N 1.846 122.115 120.400 -0.218 0.000 2.374 209 K HA 0.226 4.538 4.320 -0.015 0.000 0.196 209 K C -0.250 176.237 176.600 -0.189 0.000 1.023 209 K CA -0.100 56.159 56.287 -0.046 0.000 1.103 209 K CB -0.031 32.546 32.500 0.129 0.000 0.848 209 K HN 0.585 nan 8.250 nan 0.000 0.528 210 Y N -2.982 117.089 120.300 -0.380 0.000 2.581 210 Y HA 0.732 5.273 4.550 -0.015 0.000 0.345 210 Y C -0.668 174.978 175.900 -0.422 0.000 1.036 210 Y CA -1.435 56.255 58.100 -0.684 0.000 1.042 210 Y CB 1.759 39.293 38.460 -1.543 0.000 1.289 210 Y HN -0.108 nan 8.280 nan 0.000 0.471 211 A N 2.999 125.621 122.820 -0.329 0.000 3.292 211 A HA 0.598 4.909 4.320 -0.015 0.000 0.231 211 A C -1.758 175.281 177.584 -0.909 0.000 0.952 211 A CA -0.345 51.359 52.037 -0.554 0.000 1.044 211 A CB -0.599 18.457 19.000 0.093 0.000 1.236 211 A HN 0.907 nan 8.150 nan 0.000 0.525 212 L N -4.278 116.292 121.223 -1.089 0.000 2.445 212 L HA 0.948 5.279 4.340 -0.015 0.000 0.262 212 L C -1.360 175.120 176.870 -0.649 0.000 0.974 212 L CA -0.966 53.481 54.840 -0.655 0.000 0.822 212 L CB 1.233 43.181 42.059 -0.185 0.000 1.339 212 L HN 0.258 nan 8.230 nan 0.000 0.409 213 W N 1.543 122.939 121.300 0.160 0.000 2.756 213 W HA 0.336 4.987 4.660 -0.015 0.000 0.333 213 W C -1.532 175.227 176.519 0.401 0.000 1.025 213 W CA -0.729 56.795 57.345 0.298 0.000 1.246 213 W CB 1.534 31.160 29.460 0.277 0.000 1.358 213 W HN 0.601 nan 8.180 nan 0.000 0.444 214 W N 2.383 123.902 121.300 0.364 0.000 2.181 214 W HA 0.208 4.859 4.660 -0.015 0.000 0.335 214 W C 1.352 177.653 176.519 -0.364 0.000 1.310 214 W CA 0.506 57.907 57.345 0.094 0.000 1.226 214 W CB 0.665 30.149 29.460 0.039 0.000 1.155 214 W HN 0.206 nan 8.180 nan 0.000 0.565 215 S N 3.102 118.406 115.700 -0.659 0.000 2.584 215 S HA 0.140 4.601 4.470 -0.015 0.000 0.270 215 S C -1.553 172.752 174.600 -0.493 0.000 1.346 215 S CA -0.946 56.342 58.200 -1.520 0.000 1.018 215 S CB 1.092 63.516 63.200 -1.294 0.000 0.899 215 S HN 0.298 nan 8.310 nan 0.000 0.542 216 P HA -0.112 nan 4.420 nan 0.000 0.217 216 P C 0.191 177.458 177.300 -0.055 0.000 1.151 216 P CA 1.675 64.725 63.100 -0.084 0.000 0.849 216 P CB -0.238 31.453 31.700 -0.015 0.000 0.787 217 N N -2.766 115.892 118.700 -0.070 0.000 2.234 217 N HA 0.308 5.039 4.740 -0.015 0.000 0.227 217 N C 0.868 176.341 175.510 -0.061 0.000 1.151 217 N CA 0.554 53.573 53.050 -0.053 0.000 0.865 217 N CB 0.289 38.757 38.487 -0.032 0.000 1.066 217 N HN 0.040 nan 8.380 nan 0.000 0.515 218 G N 1.230 110.015 108.800 -0.025 0.000 2.184 218 G HA2 -0.410 3.541 3.960 -0.015 0.000 0.264 218 G HA3 -0.410 3.541 3.960 -0.015 0.000 0.264 218 G C 1.031 176.017 174.900 0.144 0.000 0.975 218 G CA 0.832 46.006 45.100 0.124 0.000 0.642 218 G HN 0.406 nan 8.290 nan 0.000 0.536 219 K N -0.902 119.465 120.400 -0.055 0.000 2.063 219 K HA 0.114 4.426 4.320 -0.015 0.000 0.208 219 K C 0.380 176.725 176.600 -0.425 0.000 1.048 219 K CA 1.143 57.260 56.287 -0.284 0.000 0.928 219 K CB -0.090 32.152 32.500 -0.430 0.000 0.713 219 K HN 0.355 nan 8.250 nan 0.000 0.442 220 F N -0.384 119.572 119.950 0.009 0.000 2.577 220 F HA 0.410 4.928 4.527 -0.015 0.000 0.318 220 F C -0.678 175.139 175.800 0.029 0.000 1.065 220 F CA -1.254 56.790 58.000 0.073 0.000 0.929 220 F CB 1.496 40.617 39.000 0.203 0.000 1.237 220 F HN -0.219 nan 8.300 nan 0.000 0.468 221 L N 2.114 123.484 121.223 0.245 0.000 2.341 221 L HA 0.879 5.210 4.340 -0.015 0.000 0.278 221 L C -0.754 176.325 176.870 0.348 0.000 1.005 221 L CA -0.455 54.426 54.840 0.068 0.000 0.818 221 L CB 1.293 43.132 42.059 -0.367 0.000 1.259 221 L HN 0.701 nan 8.230 nan 0.000 0.418 222 A N 4.380 127.471 122.820 0.451 0.000 2.324 222 A HA 0.804 5.115 4.320 -0.015 0.000 0.330 222 A C -1.583 176.229 177.584 0.380 0.000 1.165 222 A CA -0.323 51.889 52.037 0.292 0.000 0.813 222 A CB 0.784 19.856 19.000 0.121 0.000 1.197 222 A HN 0.837 nan 8.150 nan 0.000 0.484 223 Y N -1.499 118.882 120.300 0.135 0.000 2.581 223 Y HA 0.753 5.294 4.550 -0.015 0.000 0.337 223 Y C -0.332 175.547 175.900 -0.035 0.000 1.108 223 Y CA -1.014 57.116 58.100 0.049 0.000 1.033 223 Y CB 0.959 39.395 38.460 -0.040 0.000 1.318 223 Y HN 0.907 nan 8.280 nan 0.000 0.459 224 A N 1.777 124.586 122.820 -0.018 0.000 2.312 224 A HA 0.572 4.883 4.320 -0.015 0.000 0.326 224 A C -0.780 176.632 177.584 -0.288 0.000 1.172 224 A CA -0.675 51.108 52.037 -0.423 0.000 0.821 224 A CB 1.051 19.564 19.000 -0.811 0.000 1.166 224 A HN 0.796 nan 8.150 nan 0.000 0.493 225 E N 2.211 122.223 120.200 -0.314 0.000 2.129 225 E HA 0.511 4.852 4.350 -0.015 0.000 0.268 225 E C -1.775 174.645 176.600 -0.301 0.000 0.900 225 E CA -0.365 55.973 56.400 -0.104 0.000 0.755 225 E CB 0.581 30.405 29.700 0.208 0.000 1.117 225 E HN 0.456 nan 8.360 nan 0.000 0.410 226 F N 3.271 123.300 119.950 0.132 0.000 2.415 226 F HA 0.299 4.817 4.527 -0.015 0.000 0.348 226 F C 0.700 176.646 175.800 0.243 0.000 1.119 226 F CA -0.949 57.117 58.000 0.111 0.000 1.069 226 F CB 0.996 39.998 39.000 0.003 0.000 1.124 226 F HN 0.355 nan 8.300 nan 0.000 0.472 227 N N 2.593 121.493 118.700 0.334 0.000 2.439 227 N HA 0.148 4.879 4.740 -0.015 0.000 0.249 227 N C -0.495 175.182 175.510 0.278 0.000 1.003 227 N CA -0.082 53.131 53.050 0.271 0.000 0.942 227 N CB 0.844 39.430 38.487 0.164 0.000 1.115 227 N HN 0.536 nan 8.380 nan 0.000 0.505 228 D N 1.448 122.041 120.400 0.322 0.000 2.402 228 D HA 0.111 4.743 4.640 -0.015 0.000 0.216 228 D C 1.135 177.551 176.300 0.194 0.000 1.128 228 D CA 0.207 54.375 54.000 0.280 0.000 0.833 228 D CB 0.511 41.553 40.800 0.404 0.000 0.971 228 D HN 0.462 nan 8.370 nan 0.000 0.503 229 T N 0.743 115.389 114.554 0.153 0.000 2.720 229 T HA -0.165 4.176 4.350 -0.015 0.000 0.268 229 T C 1.142 175.892 174.700 0.083 0.000 1.037 229 T CA 1.604 63.765 62.100 0.103 0.000 1.144 229 T CB -0.045 68.871 68.868 0.078 0.000 0.864 229 T HN 0.304 nan 8.240 nan 0.000 0.444 230 D N 0.757 121.204 120.400 0.079 0.000 2.440 230 D HA 0.118 4.750 4.640 -0.015 0.000 0.216 230 D C 0.667 177.006 176.300 0.065 0.000 1.150 230 D CA -0.446 53.590 54.000 0.061 0.000 0.832 230 D CB -0.890 39.936 40.800 0.044 0.000 0.992 230 D HN 0.573 nan 8.370 nan 0.000 0.502 231 I N -1.075 119.547 120.570 0.087 0.000 2.634 231 I HA 0.371 4.533 4.170 -0.015 0.000 0.284 231 I C -2.401 173.766 176.117 0.084 0.000 1.124 231 I CA -1.641 59.713 61.300 0.089 0.000 1.417 231 I CB 0.703 38.770 38.000 0.111 0.000 1.396 231 I HN -0.354 nan 8.210 nan 0.000 0.571 232 P HA 0.154 nan 4.420 nan 0.000 0.271 232 P C -0.914 176.430 177.300 0.073 0.000 1.233 232 P CA -0.320 62.818 63.100 0.063 0.000 0.789 232 P CB 0.719 32.455 31.700 0.059 0.000 0.951 233 V N 2.082 122.020 119.914 0.039 0.000 2.604 233 V HA 0.321 4.432 4.120 -0.015 0.000 0.305 233 V C -0.072 175.993 176.094 -0.049 0.000 1.043 233 V CA -0.767 61.545 62.300 0.020 0.000 0.888 233 V CB 1.786 33.615 31.823 0.011 0.000 0.995 233 V HN 0.384 nan 8.190 nan 0.000 0.429 234 I N 5.044 125.545 120.570 -0.115 0.000 2.325 234 I HA 0.688 4.849 4.170 -0.015 0.000 0.291 234 I C 0.302 176.315 176.117 -0.173 0.000 1.019 234 I CA 0.104 61.236 61.300 -0.281 0.000 1.302 234 I CB 0.870 38.424 38.000 -0.743 0.000 1.401 234 I HN 0.689 nan 8.210 nan 0.000 0.485 235 A N 7.969 130.702 122.820 -0.145 0.000 2.318 235 A HA 0.778 5.089 4.320 -0.015 0.000 0.324 235 A C -1.363 176.185 177.584 -0.059 0.000 1.170 235 A CA -0.387 51.569 52.037 -0.135 0.000 0.810 235 A CB 0.463 19.396 19.000 -0.112 0.000 1.198 235 A HN 0.809 nan 8.150 nan 0.000 0.484 236 Y N -0.722 119.485 120.300 -0.155 0.000 2.670 236 Y HA 0.762 5.304 4.550 -0.014 0.000 0.334 236 Y C -0.224 175.589 175.900 -0.146 0.000 1.185 236 Y CA -1.138 56.867 58.100 -0.158 0.000 1.053 236 Y CB 0.736 39.098 38.460 -0.162 0.000 1.298 236 Y HN 0.382 nan 8.280 nan 0.000 0.459 237 S N 0.890 116.547 115.700 -0.073 0.000 2.554 237 S HA 0.378 4.839 4.470 -0.015 0.000 0.278 237 S C -1.743 172.668 174.600 -0.316 0.000 1.242 237 S CA -0.533 57.487 58.200 -0.300 0.000 1.051 237 S CB 0.589 63.503 63.200 -0.477 0.000 0.986 237 S HN 0.617 nan 8.310 nan 0.000 0.502 238 Y N 2.319 122.356 120.300 -0.439 0.000 2.326 238 Y HA 0.373 4.914 4.550 -0.015 0.000 0.331 238 Y C -0.387 175.310 175.900 -0.339 0.000 0.962 238 Y CA -0.702 57.218 58.100 -0.300 0.000 1.167 238 Y CB 0.535 38.938 38.460 -0.094 0.000 1.148 238 Y HN 0.744 nan 8.280 nan 0.000 0.463 239 Y N 3.701 123.804 120.300 -0.328 0.000 2.475 239 Y HA 0.149 4.690 4.550 -0.015 0.000 0.289 239 Y C 1.945 177.750 175.900 -0.157 0.000 1.121 239 Y CA 0.582 58.569 58.100 -0.190 0.000 1.257 239 Y CB -0.546 37.806 38.460 -0.179 0.000 1.026 239 Y HN 0.898 nan 8.280 nan 0.000 0.555 240 G N 0.841 109.491 108.800 -0.251 0.000 2.627 240 G HA2 -0.366 3.585 3.960 -0.015 0.000 0.312 240 G HA3 -0.366 3.585 3.960 -0.015 0.000 0.312 240 G C 0.616 175.560 174.900 0.073 0.000 1.299 240 G CA 1.033 46.164 45.100 0.051 0.000 0.989 240 G HN 0.402 nan 8.290 nan 0.000 0.547 241 D N 0.516 120.986 120.400 0.116 0.000 2.525 241 D HA 0.160 4.792 4.640 -0.015 0.000 0.231 241 D C 0.993 177.338 176.300 0.075 0.000 1.216 241 D CA 0.097 54.146 54.000 0.081 0.000 0.813 241 D CB 0.929 41.779 40.800 0.083 0.000 1.108 241 D HN 0.570 nan 8.370 nan 0.000 0.524 242 E N 0.898 121.155 120.200 0.095 0.000 2.602 242 E HA 0.117 4.459 4.350 -0.015 0.000 0.255 242 E C 0.931 177.582 176.600 0.084 0.000 1.268 242 E CA -0.275 56.182 56.400 0.095 0.000 1.007 242 E CB 1.209 30.977 29.700 0.113 0.000 1.208 242 E HN -0.067 nan 8.360 nan 0.000 0.584 243 Q N -0.045 119.819 119.800 0.106 0.000 2.269 243 Q HA -0.046 4.285 4.340 -0.015 0.000 0.201 243 Q C -0.444 175.525 176.000 -0.053 0.000 0.946 243 Q CA 0.968 56.798 55.803 0.044 0.000 0.877 243 Q CB 0.317 29.110 28.738 0.090 0.000 0.963 243 Q HN 0.415 nan 8.270 nan 0.000 0.472 244 Y N 0.920 121.240 120.300 0.033 0.000 2.364 244 Y HA 0.415 4.957 4.550 -0.015 0.000 0.340 244 Y C -2.004 173.921 175.900 0.043 0.000 0.975 244 Y CA -2.676 55.443 58.100 0.032 0.000 1.089 244 Y CB 1.531 40.001 38.460 0.017 0.000 1.192 244 Y HN 0.152 nan 8.280 nan 0.000 0.454 245 P HA 0.247 nan 4.420 nan 0.000 0.272 245 P C -1.142 176.205 177.300 0.078 0.000 1.230 245 P CA -0.494 62.661 63.100 0.091 0.000 0.788 245 P CB 0.655 32.384 31.700 0.048 0.000 0.949 246 R N -0.590 119.928 120.500 0.029 0.000 2.832 246 R HA 0.731 5.063 4.340 -0.015 0.000 0.271 246 R C -0.628 175.626 176.300 -0.077 0.000 0.996 246 R CA -0.869 55.230 56.100 -0.002 0.000 0.977 246 R CB 0.089 30.394 30.300 0.009 0.000 1.168 246 R HN 0.187 nan 8.270 nan 0.000 0.482 247 T N 1.996 116.493 114.554 -0.096 0.000 2.856 247 T HA 0.330 4.671 4.350 -0.015 0.000 0.292 247 T C 0.164 174.738 174.700 -0.210 0.000 0.980 247 T CA -0.370 61.634 62.100 -0.161 0.000 1.091 247 T CB 0.467 69.264 68.868 -0.120 0.000 0.936 247 T HN 0.243 nan 8.240 nan 0.000 0.503 248 I N 3.755 124.091 120.570 -0.390 0.000 2.377 248 I HA 0.378 4.539 4.170 -0.015 0.000 0.293 248 I C -0.115 175.766 176.117 -0.392 0.000 0.987 248 I CA -0.845 60.190 61.300 -0.441 0.000 1.185 248 I CB 1.409 38.946 38.000 -0.773 0.000 1.341 248 I HN 0.517 nan 8.210 nan 0.000 0.455 249 N N 6.924 125.522 118.700 -0.170 0.000 2.442 249 N HA 0.570 5.301 4.740 -0.015 0.000 0.274 249 N C -0.818 174.712 175.510 0.032 0.000 1.002 249 N CA -0.327 52.674 53.050 -0.082 0.000 0.910 249 N CB 2.036 40.498 38.487 -0.041 0.000 1.244 249 N HN 0.396 nan 8.380 nan 0.000 0.492 250 I N 2.148 122.742 120.570 0.039 0.000 2.406 250 I HA 0.402 4.563 4.170 -0.015 0.000 0.290 250 I C -2.281 173.904 176.117 0.113 0.000 0.999 250 I CA -2.337 59.038 61.300 0.125 0.000 1.124 250 I CB 2.256 40.286 38.000 0.050 0.000 1.289 250 I HN 0.155 nan 8.210 nan 0.000 0.441 251 P HA 0.013 nan 4.420 nan 0.000 0.266 251 P C -1.356 176.053 177.300 0.181 0.000 1.215 251 P CA 0.377 63.584 63.100 0.179 0.000 0.763 251 P CB -0.049 31.790 31.700 0.232 0.000 0.806 252 Y N 5.795 126.088 120.300 -0.012 0.000 2.294 252 Y HA 0.319 4.860 4.550 -0.015 0.000 0.329 252 Y C -2.688 173.196 175.900 -0.026 0.000 1.135 252 Y CA -2.620 55.429 58.100 -0.085 0.000 1.213 252 Y CB 1.863 40.176 38.460 -0.245 0.000 1.141 252 Y HN 0.289 nan 8.280 nan 0.000 0.446 253 P HA 0.205 nan 4.420 nan 0.000 0.284 253 P C -0.847 176.510 177.300 0.096 0.000 1.343 253 P CA -0.050 63.095 63.100 0.075 0.000 0.826 253 P CB 1.057 32.784 31.700 0.046 0.000 0.956 254 K N 2.097 122.634 120.400 0.228 0.000 2.180 254 K HA 0.434 4.745 4.320 -0.015 0.000 0.251 254 K C 0.578 177.276 176.600 0.162 0.000 1.014 254 K CA -0.618 55.817 56.287 0.247 0.000 0.913 254 K CB 0.482 33.138 32.500 0.260 0.000 1.008 254 K HN 0.445 nan 8.250 nan 0.000 0.490 255 A N 1.081 124.020 122.820 0.199 0.000 2.572 255 A HA 0.180 4.491 4.320 -0.015 0.000 0.256 255 A C 1.217 178.828 177.584 0.045 0.000 1.041 255 A CA 1.180 53.318 52.037 0.167 0.000 0.790 255 A CB -1.340 17.845 19.000 0.309 0.000 0.947 255 A HN 0.933 nan 8.150 nan 0.000 0.518 256 G N 1.148 109.961 108.800 0.021 0.000 2.225 256 G HA2 0.103 4.054 3.960 -0.015 0.000 0.254 256 G HA3 0.103 4.054 3.960 -0.015 0.000 0.254 256 G C 0.756 175.657 174.900 0.001 0.000 0.988 256 G CA 0.749 45.834 45.100 -0.025 0.000 0.625 256 G HN 2.246 nan 8.290 nan 0.000 0.527 257 A N 0.113 122.953 122.820 0.034 0.000 2.310 257 A HA 0.665 4.976 4.320 -0.015 0.000 0.260 257 A C 0.734 178.339 177.584 0.035 0.000 1.112 257 A CA 0.962 53.025 52.037 0.042 0.000 0.804 257 A CB 0.201 19.246 19.000 0.076 0.000 1.081 257 A HN 1.567 nan 8.150 nan 0.000 0.499 258 K N 1.025 121.446 120.400 0.036 0.000 2.326 258 K HA 0.204 4.515 4.320 -0.015 0.000 0.275 258 K C -0.390 176.238 176.600 0.047 0.000 1.018 258 K CA 0.008 56.312 56.287 0.028 0.000 0.962 258 K CB 0.433 32.947 32.500 0.023 0.000 0.953 258 K HN 0.553 nan 8.250 nan 0.000 0.475 259 N N 3.078 121.799 118.700 0.034 0.000 2.482 259 N HA 0.432 5.163 4.740 -0.015 0.000 0.279 259 N C -2.522 173.054 175.510 0.110 0.000 1.182 259 N CA -2.047 51.047 53.050 0.073 0.000 0.969 259 N CB 0.786 39.287 38.487 0.023 0.000 1.201 259 N HN 0.586 nan 8.380 nan 0.000 0.523 260 P HA 0.011 nan 4.420 nan 0.000 0.269 260 P C -0.409 177.020 177.300 0.215 0.000 1.215 260 P CA -0.247 63.003 63.100 0.250 0.000 0.780 260 P CB 0.602 32.527 31.700 0.375 0.000 0.898 261 V N 1.280 121.289 119.914 0.159 0.000 2.547 261 V HA 0.657 4.768 4.120 -0.015 0.000 0.299 261 V C -0.124 176.031 176.094 0.102 0.000 1.040 261 V CA -0.916 61.421 62.300 0.062 0.000 0.913 261 V CB 1.546 33.353 31.823 -0.027 0.000 0.992 261 V HN 0.449 nan 8.190 nan 0.000 0.449 262 V N 2.953 122.900 119.914 0.054 0.000 2.715 262 V HA 0.780 4.891 4.120 -0.015 0.000 0.310 262 V C -0.308 175.763 176.094 -0.038 0.000 1.054 262 V CA -0.900 61.380 62.300 -0.033 0.000 0.928 262 V CB 1.739 33.584 31.823 0.037 0.000 1.007 262 V HN 1.070 nan 8.190 nan 0.000 0.437 263 R N 4.187 124.577 120.500 -0.183 0.000 2.575 263 R HA 0.664 4.995 4.340 -0.015 0.000 0.293 263 R C -1.459 174.553 176.300 -0.480 0.000 0.983 263 R CA -0.814 55.108 56.100 -0.298 0.000 0.887 263 R CB 2.265 32.378 30.300 -0.312 0.000 1.184 263 R HN 0.653 nan 8.270 nan 0.000 0.445 264 I N 3.694 123.949 120.570 -0.524 0.000 2.377 264 I HA 0.406 4.567 4.170 -0.015 0.000 0.293 264 I C -0.247 175.406 176.117 -0.773 0.000 0.987 264 I CA -0.449 60.487 61.300 -0.607 0.000 1.185 264 I CB 0.819 38.495 38.000 -0.541 0.000 1.341 264 I HN 0.482 nan 8.210 nan 0.000 0.455 265 F N 5.629 125.207 119.950 -0.621 0.000 2.579 265 F HA 0.642 5.161 4.527 -0.015 0.000 0.324 265 F C 0.145 175.606 175.800 -0.565 0.000 1.058 265 F CA -0.732 56.901 58.000 -0.612 0.000 0.944 265 F CB 2.207 40.664 39.000 -0.905 0.000 1.245 265 F HN 0.147 nan 8.300 nan 0.000 0.477 266 I N 3.545 124.106 120.570 -0.016 0.000 2.499 266 I HA 0.439 4.600 4.170 -0.015 0.000 0.288 266 I C -1.251 175.098 176.117 0.388 0.000 1.048 266 I CA -0.907 60.468 61.300 0.125 0.000 1.062 266 I CB 1.857 39.813 38.000 -0.073 0.000 1.238 266 I HN 0.305 nan 8.210 nan 0.000 0.426 267 I N 1.798 122.642 120.570 0.457 0.000 2.525 267 I HA 0.453 4.615 4.170 -0.015 0.000 0.301 267 I C 0.109 176.559 176.117 0.554 0.000 0.992 267 I CA -0.530 61.049 61.300 0.465 0.000 1.162 267 I CB 0.843 39.049 38.000 0.344 0.000 1.332 267 I HN 0.439 nan 8.210 nan 0.000 0.458 268 D N 2.550 123.256 120.400 0.510 0.000 2.424 268 D HA -0.019 4.612 4.640 -0.015 0.000 0.244 268 D C 0.538 176.915 176.300 0.128 0.000 1.134 268 D CA 0.403 54.557 54.000 0.257 0.000 0.881 268 D CB 1.386 42.350 40.800 0.274 0.000 1.191 268 D HN 0.738 nan 8.370 nan 0.000 0.445 269 T N 2.196 116.757 114.554 0.012 0.000 3.107 269 T HA 0.047 4.388 4.350 -0.015 0.000 0.249 269 T C 1.282 175.951 174.700 -0.052 0.000 1.096 269 T CA 0.503 62.615 62.100 0.020 0.000 1.012 269 T CB 0.293 69.240 68.868 0.130 0.000 0.977 269 T HN 0.397 nan 8.240 nan 0.000 0.527 270 T N -0.455 114.039 114.554 -0.100 0.000 2.954 270 T HA 0.240 4.581 4.350 -0.015 0.000 0.252 270 T C -0.159 174.241 174.700 -0.500 0.000 0.983 270 T CA -0.010 61.913 62.100 -0.294 0.000 0.941 270 T CB 0.298 68.982 68.868 -0.306 0.000 1.141 270 T HN 0.330 nan 8.240 nan 0.000 0.500 271 Y N 1.393 121.667 120.300 -0.044 0.000 2.669 271 Y HA 0.294 4.835 4.550 -0.015 0.000 0.302 271 Y C -1.762 174.169 175.900 0.053 0.000 1.000 271 Y CA -2.283 55.839 58.100 0.038 0.000 1.222 271 Y CB 0.684 39.249 38.460 0.175 0.000 1.209 271 Y HN 0.112 nan 8.280 nan 0.000 0.571 272 P HA -0.211 nan 4.420 nan 0.000 0.216 272 P C 1.324 178.735 177.300 0.186 0.000 1.150 272 P CA 1.932 65.052 63.100 0.034 0.000 0.837 272 P CB 0.474 32.025 31.700 -0.248 0.000 0.786 273 A N -1.406 121.507 122.820 0.156 0.000 1.935 273 A HA -0.130 4.181 4.320 -0.015 0.000 0.214 273 A C 2.341 180.099 177.584 0.290 0.000 1.178 273 A CA 0.640 52.884 52.037 0.345 0.000 0.640 273 A CB -1.655 17.592 19.000 0.411 0.000 0.825 273 A HN 0.045 nan 8.150 nan 0.000 0.447 274 Y N 0.681 121.080 120.300 0.165 0.000 2.097 274 Y HA -0.186 4.356 4.550 -0.015 0.000 0.282 274 Y C 2.236 178.226 175.900 0.151 0.000 1.152 274 Y CA 2.286 60.486 58.100 0.167 0.000 1.136 274 Y CB -0.218 38.384 38.460 0.237 0.000 0.975 274 Y HN 0.075 nan 8.280 nan 0.000 0.498 275 V N -0.982 119.017 119.914 0.141 0.000 2.795 275 V HA 0.303 4.414 4.120 -0.015 0.000 0.243 275 V C 1.024 177.186 176.094 0.112 0.000 1.069 275 V CA 0.739 63.064 62.300 0.041 0.000 1.089 275 V CB -0.707 31.225 31.823 0.181 0.000 0.756 275 V HN 0.675 nan 8.190 nan 0.000 0.471 276 G N 1.523 110.435 108.800 0.186 0.000 2.814 276 G HA2 -0.123 3.828 3.960 -0.015 0.000 0.677 276 G HA3 -0.123 3.828 3.960 -0.015 0.000 0.677 276 G C -2.849 172.180 174.900 0.215 0.000 1.429 276 G CA -0.450 44.761 45.100 0.186 0.000 0.868 276 G HN 0.296 nan 8.290 nan 0.000 0.553 277 P HA 0.277 nan 4.420 nan 0.000 0.276 277 P C -0.797 176.676 177.300 0.289 0.000 1.230 277 P CA 0.102 63.330 63.100 0.213 0.000 0.776 277 P CB 1.134 32.842 31.700 0.014 0.000 0.888 278 Q N 1.587 121.629 119.800 0.402 0.000 2.322 278 Q HA 0.270 4.602 4.340 -0.015 0.000 0.265 278 Q C -0.061 176.182 176.000 0.405 0.000 0.985 278 Q CA -0.618 55.433 55.803 0.413 0.000 0.849 278 Q CB 2.143 31.141 28.738 0.433 0.000 1.274 278 Q HN 0.530 nan 8.270 nan 0.000 0.449 279 E N 1.865 122.245 120.200 0.300 0.000 2.344 279 E HA 0.184 4.525 4.350 -0.015 0.000 0.270 279 E C -0.714 175.837 176.600 -0.081 0.000 1.021 279 E CA -0.372 55.933 56.400 -0.159 0.000 0.887 279 E CB 0.818 30.352 29.700 -0.277 0.000 0.997 279 E HN 0.255 nan 8.360 nan 0.000 0.429 280 V N 7.119 126.914 119.914 -0.197 0.000 2.521 280 V HA 0.156 4.267 4.120 -0.015 0.000 0.286 280 V C -1.951 174.108 176.094 -0.057 0.000 1.034 280 V CA -1.357 60.879 62.300 -0.107 0.000 1.045 280 V CB 0.584 32.287 31.823 -0.200 0.000 0.974 280 V HN 0.792 nan 8.190 nan 0.000 0.480 281 P HA 0.182 nan 4.420 nan 0.000 0.271 281 P C -0.584 176.631 177.300 -0.142 0.000 1.216 281 P CA -0.020 63.042 63.100 -0.063 0.000 0.776 281 P CB 0.909 32.600 31.700 -0.015 0.000 0.881 282 V N 4.066 123.791 119.914 -0.316 0.000 2.439 282 V HA 0.480 4.591 4.120 -0.015 0.000 0.282 282 V C -2.428 173.346 176.094 -0.534 0.000 1.039 282 V CA -2.634 59.255 62.300 -0.685 0.000 0.913 282 V CB 0.766 31.942 31.823 -1.080 0.000 0.983 282 V HN 0.413 nan 8.190 nan 0.000 0.460 283 P HA 0.174 nan 4.420 nan 0.000 0.262 283 P C 0.787 177.886 177.300 -0.334 0.000 1.182 283 P CA 0.635 63.531 63.100 -0.340 0.000 0.761 283 P CB 0.873 32.407 31.700 -0.277 0.000 0.795 284 A N 5.025 127.720 122.820 -0.209 0.000 1.915 284 A HA -0.272 4.039 4.320 -0.015 0.000 0.220 284 A C 1.806 179.295 177.584 -0.159 0.000 1.198 284 A CA 2.526 54.465 52.037 -0.162 0.000 0.647 284 A CB -1.337 17.600 19.000 -0.104 0.000 0.825 284 A HN 0.754 nan 8.150 nan 0.000 0.456 285 M N -2.262 117.251 119.600 -0.145 0.000 2.630 285 M HA 0.114 4.585 4.480 -0.015 0.000 0.254 285 M C 1.016 177.228 176.300 -0.147 0.000 1.092 285 M CA 1.254 56.485 55.300 -0.114 0.000 1.087 285 M CB -0.092 32.461 32.600 -0.079 0.000 1.453 285 M HN 0.210 nan 8.290 nan 0.000 0.509 286 I N 0.951 121.358 120.570 -0.272 0.000 3.172 286 I HA 0.156 4.317 4.170 -0.015 0.000 0.278 286 I C 2.614 178.475 176.117 -0.427 0.000 1.174 286 I CA 0.911 61.969 61.300 -0.403 0.000 1.445 286 I CB -1.198 36.365 38.000 -0.728 0.000 1.175 286 I HN 0.382 nan 8.210 nan 0.000 0.447 287 A N 1.014 123.597 122.820 -0.395 0.000 2.119 287 A HA -0.100 4.211 4.320 -0.015 0.000 0.217 287 A C 2.215 179.797 177.584 -0.005 0.000 1.153 287 A CA 1.408 53.341 52.037 -0.174 0.000 0.692 287 A CB -0.626 18.263 19.000 -0.186 0.000 0.799 287 A HN 0.502 nan 8.150 nan 0.000 0.458 288 S N -0.366 115.308 115.700 -0.043 0.000 2.603 288 S HA 0.187 4.648 4.470 -0.015 0.000 0.229 288 S C 0.661 175.265 174.600 0.007 0.000 0.972 288 S CA 0.565 58.754 58.200 -0.019 0.000 0.935 288 S CB -0.752 62.427 63.200 -0.036 0.000 0.769 288 S HN 1.171 nan 8.310 nan 0.000 0.536 289 S N -0.765 114.963 115.700 0.047 0.000 2.661 289 S HA 0.439 4.900 4.470 -0.015 0.000 0.268 289 S C -1.715 172.917 174.600 0.054 0.000 1.162 289 S CA -1.054 57.165 58.200 0.031 0.000 0.817 289 S CB 0.126 63.333 63.200 0.011 0.000 1.141 289 S HN 0.023 nan 8.310 nan 0.000 0.477 290 D N 1.149 121.523 120.400 -0.043 0.000 2.515 290 D HA 0.436 5.067 4.640 -0.015 0.000 0.232 290 D C -0.184 176.057 176.300 -0.098 0.000 1.157 290 D CA 1.312 55.217 54.000 -0.158 0.000 0.871 290 D CB -0.173 40.516 40.800 -0.185 0.000 1.200 290 D HN 0.636 nan 8.370 nan 0.000 0.466 291 Y N -1.327 118.841 120.300 -0.220 0.000 2.764 291 Y HA 0.610 5.151 4.550 -0.015 0.000 0.331 291 Y C -1.673 174.119 175.900 -0.181 0.000 1.280 291 Y CA -1.294 56.691 58.100 -0.192 0.000 1.065 291 Y CB 1.019 39.458 38.460 -0.035 0.000 1.319 291 Y HN 0.317 nan 8.280 nan 0.000 0.453 292 Y N 0.950 121.625 120.300 0.623 0.000 2.524 292 Y HA 0.477 5.018 4.550 -0.014 0.000 0.347 292 Y C -1.084 175.312 175.900 0.826 0.000 1.005 292 Y CA -1.311 57.161 58.100 0.619 0.000 1.025 292 Y CB 2.347 40.984 38.460 0.295 0.000 1.275 292 Y HN 0.683 nan 8.280 nan 0.000 0.460 293 F N 2.015 122.481 119.950 0.859 0.000 2.410 293 F HA 0.354 4.872 4.527 -0.014 0.000 0.348 293 F C 0.887 176.900 175.800 0.355 0.000 1.106 293 F CA 0.103 58.332 58.000 0.383 0.000 1.163 293 F CB 1.343 40.437 39.000 0.156 0.000 1.129 293 F HN 0.527 nan 8.300 nan 0.000 0.516 294 S N 5.992 121.320 115.700 -0.620 0.000 2.527 294 S HA 0.213 4.674 4.470 -0.015 0.000 0.227 294 S C -0.019 174.239 174.600 -0.571 0.000 1.059 294 S CA -0.316 57.619 58.200 -0.442 0.000 0.919 294 S CB -0.007 63.085 63.200 -0.180 0.000 0.805 294 S HN 0.852 nan 8.310 nan 0.000 0.500 295 W N -0.384 120.148 121.300 -1.280 0.000 3.064 295 W HA 0.482 5.134 4.660 -0.014 0.000 0.328 295 W C -2.693 173.322 176.519 -0.841 0.000 1.210 295 W CA -1.030 55.741 57.345 -0.956 0.000 1.178 295 W CB 1.102 30.281 29.460 -0.467 0.000 1.416 295 W HN 0.235 nan 8.180 nan 0.000 0.568 296 L N 2.535 122.927 121.223 -1.385 0.000 2.386 296 L HA 0.785 5.116 4.340 -0.015 0.000 0.271 296 L C -1.012 175.077 176.870 -1.302 0.000 0.993 296 L CA 0.018 54.072 54.840 -1.310 0.000 0.819 296 L CB 2.313 43.339 42.059 -1.722 0.000 1.294 296 L HN 0.294 nan 8.230 nan 0.000 0.414 297 T N 2.859 116.942 114.554 -0.784 0.000 2.937 297 T HA 0.339 4.680 4.350 -0.015 0.000 0.297 297 T C -1.158 173.288 174.700 -0.423 0.000 0.991 297 T CA -0.201 61.650 62.100 -0.414 0.000 0.990 297 T CB 0.528 69.376 68.868 -0.033 0.000 0.991 297 T HN 0.496 nan 8.240 nan 0.000 0.440 298 W N 2.459 123.619 121.300 -0.234 0.000 2.184 298 W HA 0.411 5.062 4.660 -0.015 0.000 0.338 298 W C 1.009 177.368 176.519 -0.267 0.000 1.257 298 W CA -0.325 56.895 57.345 -0.207 0.000 1.243 298 W CB 0.572 29.995 29.460 -0.062 0.000 1.122 298 W HN 0.413 nan 8.180 nan 0.000 0.585 299 V N 0.564 120.481 119.914 0.005 0.000 3.654 299 V HA 0.121 4.232 4.120 -0.015 0.000 0.204 299 V C 0.950 177.061 176.094 0.028 0.000 1.135 299 V CA 0.923 63.084 62.300 -0.231 0.000 1.368 299 V CB -0.286 31.244 31.823 -0.488 0.000 1.519 299 V HN 0.645 nan 8.190 nan 0.000 0.496 300 T N -2.669 111.944 114.554 0.098 0.000 2.892 300 T HA 0.221 4.562 4.350 -0.015 0.000 0.280 300 T C 0.627 175.458 174.700 0.219 0.000 1.004 300 T CA -0.189 61.992 62.100 0.135 0.000 0.950 300 T CB 0.876 69.819 68.868 0.125 0.000 1.309 300 T HN 0.204 nan 8.240 nan 0.000 0.592 301 D N 0.229 120.728 120.400 0.164 0.000 2.310 301 D HA 0.019 4.650 4.640 -0.015 0.000 0.212 301 D C 0.881 177.448 176.300 0.446 0.000 0.965 301 D CA 0.945 55.060 54.000 0.191 0.000 0.879 301 D CB 0.086 40.952 40.800 0.109 0.000 0.921 301 D HN 0.615 nan 8.370 nan 0.000 0.510 302 E N -0.402 120.040 120.200 0.403 0.000 2.651 302 E HA 0.233 4.574 4.350 -0.015 0.000 0.208 302 E C -0.091 176.832 176.600 0.538 0.000 0.997 302 E CA -0.153 56.508 56.400 0.436 0.000 1.020 302 E CB 0.961 30.829 29.700 0.281 0.000 1.052 302 E HN -0.066 nan 8.360 nan 0.000 0.465 303 R N 0.215 121.049 120.500 0.557 0.000 2.523 303 R HA 0.492 4.823 4.340 -0.015 0.000 0.278 303 R C -2.107 174.262 176.300 0.116 0.000 1.150 303 R CA -0.517 55.778 56.100 0.325 0.000 0.987 303 R CB 1.433 31.829 30.300 0.160 0.000 1.232 303 R HN 0.029 nan 8.270 nan 0.000 0.424 304 V N 4.669 124.472 119.914 -0.185 0.000 2.789 304 V HA 0.636 4.747 4.120 -0.015 0.000 0.311 304 V C -1.249 174.550 176.094 -0.491 0.000 1.073 304 V CA -0.659 61.267 62.300 -0.623 0.000 0.921 304 V CB 1.833 32.853 31.823 -1.338 0.000 1.009 304 V HN 0.948 nan 8.190 nan 0.000 0.426 305 C N 7.523 126.511 119.300 -0.519 0.000 2.322 305 C HA 0.820 5.272 4.460 -0.015 0.000 0.324 305 C C -0.726 173.992 174.990 -0.455 0.000 1.284 305 C CA -0.608 58.202 59.018 -0.347 0.000 1.606 305 C CB -0.199 27.467 27.740 -0.122 0.000 2.251 305 C HN 0.849 nan 8.230 nan 0.000 0.502 306 L N 5.702 126.684 121.223 -0.401 0.000 2.341 306 L HA 0.533 4.864 4.340 -0.015 0.000 0.278 306 L C -0.190 176.354 176.870 -0.543 0.000 1.005 306 L CA 0.094 54.604 54.840 -0.551 0.000 0.818 306 L CB 1.798 43.537 42.059 -0.534 0.000 1.259 306 L HN 0.644 nan 8.230 nan 0.000 0.418 307 Q N 2.416 121.822 119.800 -0.658 0.000 2.333 307 Q HA 0.420 4.751 4.340 -0.015 0.000 0.265 307 Q C -1.631 174.008 176.000 -0.602 0.000 0.989 307 Q CA -0.502 55.014 55.803 -0.478 0.000 0.842 307 Q CB 1.860 30.431 28.738 -0.277 0.000 1.262 307 Q HN 0.469 nan 8.270 nan 0.000 0.451 308 W N 2.410 123.690 121.300 -0.034 0.000 2.655 308 W HA 0.658 5.309 4.660 -0.015 0.000 0.358 308 W C -0.809 175.739 176.519 0.049 0.000 1.100 308 W CA -0.818 56.544 57.345 0.027 0.000 1.195 308 W CB 1.014 30.442 29.460 -0.055 0.000 1.403 308 W HN 0.369 nan 8.180 nan 0.000 0.589 309 L N 2.093 123.562 121.223 0.411 0.000 2.482 309 L HA 0.434 4.766 4.340 -0.015 0.000 0.269 309 L C -0.501 176.567 176.870 0.331 0.000 0.967 309 L CA -1.141 53.880 54.840 0.300 0.000 0.851 309 L CB 1.229 43.439 42.059 0.252 0.000 1.242 309 L HN 0.320 nan 8.230 nan 0.000 0.404 310 K N 3.287 123.807 120.400 0.200 0.000 2.436 310 K HA 0.140 4.452 4.320 -0.015 0.000 0.275 310 K C 1.094 177.771 176.600 0.128 0.000 0.999 310 K CA -0.045 56.328 56.287 0.142 0.000 0.980 310 K CB 0.770 33.315 32.500 0.074 0.000 0.919 310 K HN 0.594 nan 8.250 nan 0.000 0.484 311 R N 1.433 121.941 120.500 0.014 0.000 2.133 311 R HA -0.139 4.193 4.340 -0.015 0.000 0.247 311 R C 0.063 176.395 176.300 0.052 0.000 1.151 311 R CA 1.149 57.204 56.100 -0.075 0.000 0.971 311 R CB -0.005 30.179 30.300 -0.193 0.000 0.866 311 R HN 0.355 nan 8.270 nan 0.000 0.447 312 V N 2.867 122.808 119.914 0.044 0.000 2.397 312 V HA 0.007 4.118 4.120 -0.015 0.000 0.262 312 V C 0.491 176.631 176.094 0.076 0.000 1.047 312 V CA 0.427 62.762 62.300 0.058 0.000 1.003 312 V CB 1.061 32.912 31.823 0.046 0.000 1.037 312 V HN 0.315 nan 8.190 nan 0.000 0.480 313 Q N 3.451 123.298 119.800 0.078 0.000 2.414 313 Q HA 0.069 4.400 4.340 -0.015 0.000 0.286 313 Q C 0.813 176.846 176.000 0.055 0.000 0.941 313 Q CA -0.136 55.709 55.803 0.069 0.000 0.951 313 Q CB -0.148 28.594 28.738 0.008 0.000 1.188 313 Q HN 0.927 nan 8.270 nan 0.000 0.418 314 N N -1.564 117.162 118.700 0.042 0.000 2.236 314 N HA 0.030 4.761 4.740 -0.015 0.000 0.196 314 N C -0.232 175.261 175.510 -0.028 0.000 1.114 314 N CA 0.038 53.077 53.050 -0.017 0.000 0.859 314 N CB 0.726 39.197 38.487 -0.026 0.000 0.982 314 N HN -0.057 nan 8.380 nan 0.000 0.493 315 V N 0.459 120.377 119.914 0.006 0.000 2.531 315 V HA 0.499 4.610 4.120 -0.015 0.000 0.301 315 V C -0.575 175.536 176.094 0.029 0.000 1.034 315 V CA -0.905 61.396 62.300 0.001 0.000 0.865 315 V CB 1.444 33.269 31.823 0.004 0.000 0.995 315 V HN 0.265 nan 8.190 nan 0.000 0.424 316 S N 4.128 119.835 115.700 0.011 0.000 2.537 316 S HA 0.839 5.300 4.470 -0.015 0.000 0.301 316 S C -0.960 173.662 174.600 0.037 0.000 1.092 316 S CA -0.456 57.766 58.200 0.037 0.000 1.048 316 S CB 1.783 64.992 63.200 0.015 0.000 1.053 316 S HN 0.473 nan 8.310 nan 0.000 0.501 317 V N 4.924 124.890 119.914 0.088 0.000 2.540 317 V HA 0.552 4.663 4.120 -0.015 0.000 0.302 317 V C -0.456 175.694 176.094 0.094 0.000 1.035 317 V CA -0.776 61.583 62.300 0.099 0.000 0.873 317 V CB 1.536 33.432 31.823 0.123 0.000 0.992 317 V HN 0.878 nan 8.190 nan 0.000 0.428 318 L N 3.662 124.918 121.223 0.054 0.000 2.307 318 L HA 0.771 5.103 4.340 -0.015 0.000 0.284 318 L C -0.059 176.782 176.870 -0.048 0.000 1.023 318 L CA 0.290 55.117 54.840 -0.022 0.000 0.810 318 L CB 1.839 43.879 42.059 -0.032 0.000 1.231 318 L HN 0.701 nan 8.230 nan 0.000 0.423 319 S N 5.454 121.111 115.700 -0.071 0.000 2.647 319 S HA 0.627 5.088 4.470 -0.015 0.000 0.300 319 S C -0.795 173.745 174.600 -0.100 0.000 1.129 319 S CA -0.566 57.610 58.200 -0.040 0.000 1.029 319 S CB 0.766 64.043 63.200 0.129 0.000 1.007 319 S HN 0.512 nan 8.310 nan 0.000 0.484 320 I N 4.420 124.931 120.570 -0.099 0.000 2.362 320 I HA 0.423 4.584 4.170 -0.015 0.000 0.289 320 I C -0.508 175.594 176.117 -0.026 0.000 0.994 320 I CA -0.542 60.716 61.300 -0.070 0.000 1.158 320 I CB 1.323 39.315 38.000 -0.015 0.000 1.315 320 I HN 0.536 nan 8.210 nan 0.000 0.451 321 c N 4.592 123.178 118.600 -0.024 0.000 2.411 321 c HA 0.524 5.085 4.570 -0.015 0.000 0.330 321 c C -0.245 173.990 174.090 0.243 0.000 1.224 321 c CA -0.750 55.632 56.329 0.088 0.000 1.770 321 c CB 1.169 43.717 42.510 0.062 0.000 2.297 321 c HN 0.633 nan 8.230 nan 0.000 0.507 322 D N 0.393 120.954 120.400 0.269 0.000 2.299 322 D HA 0.346 4.977 4.640 -0.015 0.000 0.243 322 D C -0.931 175.460 176.300 0.151 0.000 0.982 322 D CA -0.228 53.936 54.000 0.273 0.000 0.924 322 D CB 1.768 42.636 40.800 0.113 0.000 1.238 322 D HN 0.506 nan 8.370 nan 0.000 0.484 323 F N 1.056 120.827 119.950 -0.300 0.000 2.410 323 F HA 0.288 4.806 4.527 -0.015 0.000 0.348 323 F C 0.644 176.199 175.800 -0.409 0.000 1.106 323 F CA -0.573 56.938 58.000 -0.814 0.000 1.163 323 F CB 0.715 39.130 39.000 -0.975 0.000 1.129 323 F HN -0.026 nan 8.300 nan 0.000 0.516 324 R N 4.564 124.472 120.500 -0.986 0.000 2.404 324 R HA 0.154 4.486 4.340 -0.015 0.000 0.291 324 R C 0.711 176.389 176.300 -1.037 0.000 1.025 324 R CA -0.314 55.312 56.100 -0.789 0.000 0.991 324 R CB 1.250 31.124 30.300 -0.709 0.000 1.053 324 R HN 0.794 nan 8.270 nan 0.000 0.479 325 E N 1.069 120.936 120.200 -0.554 0.000 2.216 325 E HA -0.114 4.227 4.350 -0.015 0.000 0.192 325 E C 0.602 177.066 176.600 -0.227 0.000 0.973 325 E CA 0.961 57.152 56.400 -0.348 0.000 0.851 325 E CB 0.313 29.951 29.700 -0.105 0.000 0.804 325 E HN 0.658 nan 8.360 nan 0.000 0.477 326 D N -0.088 120.176 120.400 -0.228 0.000 2.144 326 D HA -0.188 4.443 4.640 -0.015 0.000 0.199 326 D C 1.026 177.418 176.300 0.154 0.000 0.984 326 D CA 0.881 54.842 54.000 -0.066 0.000 0.834 326 D CB -0.267 40.455 40.800 -0.130 0.000 0.955 326 D HN 0.267 nan 8.370 nan 0.000 0.465 327 W N -0.138 121.029 121.300 -0.221 0.000 2.998 327 W HA 0.331 4.982 4.660 -0.015 0.000 0.336 327 W C 0.152 176.537 176.519 -0.224 0.000 1.112 327 W CA -0.395 56.837 57.345 -0.188 0.000 1.682 327 W CB -0.511 28.851 29.460 -0.162 0.000 1.065 327 W HN -0.126 nan 8.180 nan 0.000 0.570 328 Q N 0.507 120.180 119.800 -0.211 0.000 2.463 328 Q HA -0.193 4.138 4.340 -0.015 0.000 0.299 328 Q C 0.090 176.020 176.000 -0.117 0.000 1.353 328 Q CA 1.577 57.236 55.803 -0.239 0.000 0.828 328 Q CB -2.101 26.726 28.738 0.148 0.000 1.157 328 Q HN 0.244 nan 8.270 nan 0.000 0.436 329 T N -2.006 112.260 114.554 -0.480 0.000 2.778 329 T HA 0.682 5.023 4.350 -0.015 0.000 0.293 329 T C -1.497 172.923 174.700 -0.466 0.000 1.144 329 T CA -0.561 61.440 62.100 -0.165 0.000 1.010 329 T CB 0.891 69.822 68.868 0.105 0.000 1.325 329 T HN 0.277 nan 8.240 nan 0.000 0.515 330 W N 1.573 122.904 121.300 0.051 0.000 2.478 330 W HA 0.574 5.226 4.660 -0.014 0.000 0.318 330 W C -0.565 175.937 176.519 -0.029 0.000 1.062 330 W CA -0.414 56.938 57.345 0.011 0.000 1.210 330 W CB 0.904 30.362 29.460 -0.004 0.000 1.325 330 W HN 0.579 nan 8.180 nan 0.000 0.496 331 D N 2.223 122.697 120.400 0.122 0.000 2.408 331 D HA 0.455 5.086 4.640 -0.015 0.000 0.243 331 D C -1.382 174.955 176.300 0.063 0.000 1.075 331 D CA -0.315 53.704 54.000 0.032 0.000 0.832 331 D CB 0.799 41.542 40.800 -0.095 0.000 1.162 331 D HN 0.317 nan 8.370 nan 0.000 0.515 332 c N 6.675 125.301 118.600 0.044 0.000 2.301 332 c HA 0.528 5.090 4.570 -0.015 0.000 0.313 332 c C -2.176 171.915 174.090 0.002 0.000 1.121 332 c CA -1.376 54.970 56.329 0.028 0.000 1.507 332 c CB -0.176 42.352 42.510 0.029 0.000 1.975 332 c HN 0.520 nan 8.230 nan 0.000 0.425 333 P HA 0.327 nan 4.420 nan 0.000 0.284 333 P C 0.509 177.804 177.300 -0.007 0.000 1.253 333 P CA -0.175 62.919 63.100 -0.010 0.000 0.800 333 P CB 1.271 32.965 31.700 -0.010 0.000 0.961 334 K N 0.645 121.040 120.400 -0.009 0.000 2.052 334 K HA -0.200 4.111 4.320 -0.015 0.000 0.215 334 K C 2.012 178.621 176.600 0.015 0.000 1.053 334 K CA 2.463 58.748 56.287 -0.003 0.000 0.934 334 K CB -1.246 31.250 32.500 -0.007 0.000 0.717 334 K HN 0.542 nan 8.250 nan 0.000 0.450 335 T N 0.301 114.867 114.554 0.019 0.000 2.882 335 T HA -0.207 4.135 4.350 -0.015 0.000 0.268 335 T C 1.057 175.796 174.700 0.065 0.000 1.104 335 T CA 1.474 63.599 62.100 0.041 0.000 1.118 335 T CB -0.137 68.748 68.868 0.029 0.000 0.831 335 T HN 0.324 nan 8.240 nan 0.000 0.529 336 Q N -0.032 119.777 119.800 0.016 0.000 2.155 336 Q HA 0.274 4.605 4.340 -0.015 0.000 0.220 336 Q C -0.224 175.678 176.000 -0.163 0.000 0.819 336 Q CA -0.158 55.605 55.803 -0.066 0.000 1.032 336 Q CB 0.893 29.606 28.738 -0.041 0.000 1.151 336 Q HN 0.535 nan 8.270 nan 0.000 0.487 337 E N 1.088 121.266 120.200 -0.037 0.000 2.146 337 E HA 0.196 4.538 4.350 -0.015 0.000 0.282 337 E C -1.044 175.642 176.600 0.144 0.000 0.989 337 E CA -0.150 56.248 56.400 -0.003 0.000 0.799 337 E CB 0.734 30.444 29.700 0.017 0.000 1.088 337 E HN 0.245 nan 8.360 nan 0.000 0.397 338 H N 3.768 122.856 119.070 0.030 0.000 2.539 338 H HA 0.339 4.886 4.556 -0.015 0.000 0.332 338 H C -0.294 175.017 175.328 -0.027 0.000 1.031 338 H CA -0.928 55.128 56.048 0.012 0.000 1.206 338 H CB 1.216 31.019 29.762 0.069 0.000 1.446 338 H HN 0.333 nan 8.280 nan 0.000 0.496 339 I N 2.529 123.131 120.570 0.054 0.000 2.472 339 I HA 0.135 4.296 4.170 -0.015 0.000 0.290 339 I C 0.202 176.248 176.117 -0.118 0.000 1.016 339 I CA 0.087 61.372 61.300 -0.025 0.000 1.348 339 I CB 1.148 39.126 38.000 -0.035 0.000 1.417 339 I HN 0.576 nan 8.210 nan 0.000 0.521 340 E N 5.528 125.652 120.200 -0.127 0.000 2.283 340 E HA 0.341 4.682 4.350 -0.015 0.000 0.258 340 E C -1.288 175.228 176.600 -0.141 0.000 0.893 340 E CA -0.476 55.792 56.400 -0.219 0.000 0.798 340 E CB 1.538 31.076 29.700 -0.270 0.000 1.242 340 E HN 0.567 nan 8.360 nan 0.000 0.414 341 E N 1.475 121.588 120.200 -0.144 0.000 2.221 341 E HA 0.406 4.747 4.350 -0.015 0.000 0.268 341 E C -1.377 175.152 176.600 -0.118 0.000 0.933 341 E CA -0.606 55.731 56.400 -0.104 0.000 0.809 341 E CB 1.998 31.645 29.700 -0.089 0.000 1.190 341 E HN 0.232 nan 8.360 nan 0.000 0.406 342 S N 1.940 117.560 115.700 -0.135 0.000 2.596 342 S HA 0.259 4.720 4.470 -0.015 0.000 0.318 342 S C 0.635 175.126 174.600 -0.181 0.000 1.097 342 S CA -0.639 57.442 58.200 -0.199 0.000 1.080 342 S CB 0.550 63.516 63.200 -0.390 0.000 0.991 342 S HN 0.487 nan 8.310 nan 0.000 0.471 343 R N 2.166 122.590 120.500 -0.127 0.000 2.096 343 R HA -0.036 4.295 4.340 -0.015 0.000 0.235 343 R C 1.610 177.855 176.300 -0.092 0.000 1.127 343 R CA 1.855 57.905 56.100 -0.083 0.000 0.968 343 R CB -0.785 29.485 30.300 -0.051 0.000 0.861 343 R HN 0.794 nan 8.270 nan 0.000 0.440 344 T N -3.706 110.750 114.554 -0.163 0.000 3.145 344 T HA 0.435 4.777 4.350 -0.015 0.000 0.281 344 T C 0.614 175.052 174.700 -0.436 0.000 1.003 344 T CA 0.113 62.129 62.100 -0.140 0.000 0.901 344 T CB 1.030 69.872 68.868 -0.042 0.000 1.112 344 T HN 0.266 nan 8.240 nan 0.000 0.535 345 G N 1.002 109.240 108.800 -0.936 0.000 2.791 345 G HA2 0.521 4.472 3.960 -0.015 0.000 0.158 345 G HA3 0.521 4.472 3.960 -0.015 0.000 0.158 345 G C -1.959 172.066 174.900 -1.460 0.000 1.193 345 G CA -0.668 43.260 45.100 -1.954 0.000 1.032 345 G HN 0.495 nan 8.290 nan 0.000 0.557 346 W N 0.031 120.529 121.300 -1.338 0.000 2.666 346 W HA 0.841 5.492 4.660 -0.015 0.000 0.334 346 W C 0.101 176.406 176.519 -0.356 0.000 1.051 346 W CA -1.263 55.714 57.345 -0.614 0.000 1.224 346 W CB 1.432 30.660 29.460 -0.387 0.000 1.405 346 W HN 0.753 nan 8.180 nan 0.000 0.513 347 A N 3.551 126.363 122.820 -0.014 0.000 2.524 347 A HA 0.600 4.911 4.320 -0.015 0.000 0.250 347 A C 0.900 178.569 177.584 0.141 0.000 1.078 347 A CA 1.107 53.150 52.037 0.010 0.000 0.761 347 A CB -0.951 18.050 19.000 0.002 0.000 1.012 347 A HN 2.230 nan 8.150 nan 0.000 0.500 348 G N 1.272 110.158 108.800 0.143 0.000 2.466 348 G HA2 0.362 4.314 3.960 -0.015 0.000 0.316 348 G HA3 0.362 4.314 3.960 -0.015 0.000 0.316 348 G C 0.491 175.555 174.900 0.273 0.000 1.270 348 G CA 0.008 45.235 45.100 0.211 0.000 0.982 348 G HN 1.675 nan 8.290 nan 0.000 0.506 349 G N -1.442 107.538 108.800 0.299 0.000 2.766 349 G HA2 0.490 4.441 3.960 -0.015 0.000 0.206 349 G HA3 0.490 4.441 3.960 -0.015 0.000 0.206 349 G C 1.269 176.445 174.900 0.460 0.000 2.072 349 G CA 1.122 46.419 45.100 0.328 0.000 0.798 349 G HN 0.941 nan 8.290 nan 0.000 0.703 350 F N -0.211 119.806 119.950 0.110 0.000 2.262 350 F HA 0.447 4.965 4.527 -0.015 0.000 0.292 350 F C 0.247 175.831 175.800 -0.361 0.000 1.081 350 F CA 0.061 57.976 58.000 -0.141 0.000 1.355 350 F CB 0.379 39.164 39.000 -0.359 0.000 1.069 350 F HN -0.003 nan 8.300 nan 0.000 0.506 351 F N -0.777 119.305 119.950 0.219 0.000 2.594 351 F HA 0.485 5.003 4.527 -0.015 0.000 0.335 351 F C -0.005 175.837 175.800 0.071 0.000 1.058 351 F CA -1.713 56.314 58.000 0.044 0.000 0.981 351 F CB 0.447 39.469 39.000 0.038 0.000 1.289 351 F HN -0.552 nan 8.300 nan 0.000 0.490 352 V N 0.898 120.945 119.914 0.223 0.000 2.872 352 V HA 0.049 4.160 4.120 -0.015 0.000 0.307 352 V C 0.516 176.698 176.094 0.147 0.000 1.072 352 V CA -0.266 62.120 62.300 0.144 0.000 1.148 352 V CB 0.896 32.759 31.823 0.066 0.000 0.954 352 V HN 0.766 nan 8.190 nan 0.000 0.490 353 S N 2.316 118.104 115.700 0.148 0.000 2.568 353 S HA 0.251 4.713 4.470 -0.015 0.000 0.282 353 S C 0.352 175.008 174.600 0.093 0.000 1.338 353 S CA -0.262 58.022 58.200 0.140 0.000 1.045 353 S CB 0.354 63.667 63.200 0.189 0.000 0.873 353 S HN 1.033 nan 8.310 nan 0.000 0.516 354 T N 2.463 117.067 114.554 0.084 0.000 2.859 354 T HA 0.602 4.943 4.350 -0.015 0.000 0.281 354 T C -2.879 171.880 174.700 0.097 0.000 1.005 354 T CA -2.078 60.077 62.100 0.092 0.000 1.025 354 T CB 1.404 70.361 68.868 0.150 0.000 0.977 354 T HN 0.347 nan 8.240 nan 0.000 0.458 355 P HA 0.282 nan 4.420 nan 0.000 0.271 355 P C -0.486 176.857 177.300 0.071 0.000 1.216 355 P CA -0.421 62.616 63.100 -0.105 0.000 0.776 355 P CB 1.069 32.357 31.700 -0.687 0.000 0.881 356 V N 2.916 122.922 119.914 0.153 0.000 2.448 356 V HA 0.534 4.645 4.120 -0.015 0.000 0.295 356 V C -0.980 175.308 176.094 0.324 0.000 1.025 356 V CA -0.819 61.654 62.300 0.287 0.000 0.859 356 V CB 0.549 32.535 31.823 0.272 0.000 0.988 356 V HN 0.189 nan 8.190 nan 0.000 0.431 357 F N 3.775 123.939 119.950 0.357 0.000 2.378 357 F HA 0.671 5.190 4.527 -0.014 0.000 0.325 357 F C 1.288 177.342 175.800 0.423 0.000 1.097 357 F CA 0.328 58.559 58.000 0.385 0.000 1.079 357 F CB 1.831 40.997 39.000 0.277 0.000 1.240 357 F HN 0.842 nan 8.300 nan 0.000 0.519 358 S N 1.095 117.153 115.700 0.596 0.000 2.614 358 S HA 0.076 4.538 4.470 -0.015 0.000 0.265 358 S C 0.954 175.850 174.600 0.493 0.000 1.303 358 S CA -0.509 58.022 58.200 0.553 0.000 1.000 358 S CB 0.189 63.691 63.200 0.503 0.000 0.935 358 S HN 0.712 nan 8.310 nan 0.000 0.551 359 Y N 1.056 121.527 120.300 0.284 0.000 2.181 359 Y HA -0.263 4.279 4.550 -0.014 0.000 0.284 359 Y C 1.649 177.677 175.900 0.213 0.000 1.179 359 Y CA 2.128 60.365 58.100 0.228 0.000 1.179 359 Y CB -0.289 38.283 38.460 0.187 0.000 0.973 359 Y HN 0.751 nan 8.280 nan 0.000 0.519 360 D N -0.526 120.068 120.400 0.324 0.000 2.310 360 D HA -0.001 4.630 4.640 -0.015 0.000 0.212 360 D C 1.324 177.742 176.300 0.197 0.000 0.965 360 D CA 1.127 55.262 54.000 0.225 0.000 0.879 360 D CB -0.205 40.735 40.800 0.233 0.000 0.921 360 D HN 0.355 nan 8.370 nan 0.000 0.510 361 A N -0.921 122.054 122.820 0.258 0.000 2.905 361 A HA -0.260 4.051 4.320 -0.015 0.000 0.260 361 A C 1.236 178.979 177.584 0.265 0.000 1.398 361 A CA 1.131 53.313 52.037 0.241 0.000 0.840 361 A CB -2.094 16.980 19.000 0.123 0.000 1.059 361 A HN 0.393 nan 8.150 nan 0.000 0.647 362 I N -1.544 119.214 120.570 0.312 0.000 3.873 362 I HA 0.241 4.402 4.170 -0.015 0.000 0.284 362 I C 1.015 177.336 176.117 0.340 0.000 1.186 362 I CA 1.179 62.654 61.300 0.293 0.000 1.362 362 I CB 0.671 38.779 38.000 0.180 0.000 1.432 362 I HN 0.269 nan 8.210 nan 0.000 0.454 363 S N 0.848 116.695 115.700 0.244 0.000 2.603 363 S HA 0.446 4.907 4.470 -0.015 0.000 0.268 363 S C -0.930 173.730 174.600 0.100 0.000 1.317 363 S CA -0.175 58.056 58.200 0.052 0.000 1.012 363 S CB 0.716 63.911 63.200 -0.009 0.000 0.926 363 S HN 0.360 nan 8.310 nan 0.000 0.539 364 Y N -1.713 118.417 120.300 -0.283 0.000 2.625 364 Y HA 0.748 5.289 4.550 -0.015 0.000 0.338 364 Y C -1.946 173.700 175.900 -0.424 0.000 1.123 364 Y CA -1.734 56.101 58.100 -0.441 0.000 1.046 364 Y CB 0.576 38.400 38.460 -1.060 0.000 1.299 364 Y HN 0.529 nan 8.280 nan 0.000 0.464 365 Y N 1.088 121.521 120.300 0.223 0.000 2.429 365 Y HA 0.705 5.246 4.550 -0.014 0.000 0.342 365 Y C -0.200 175.866 175.900 0.276 0.000 1.004 365 Y CA -1.099 57.126 58.100 0.209 0.000 1.075 365 Y CB 2.315 40.868 38.460 0.154 0.000 1.214 365 Y HN 0.639 nan 8.280 nan 0.000 0.455 366 K N 2.790 123.426 120.400 0.393 0.000 2.543 366 K HA 0.524 4.835 4.320 -0.015 0.000 0.255 366 K C -1.730 175.012 176.600 0.237 0.000 0.934 366 K CA -0.544 55.960 56.287 0.361 0.000 0.810 366 K CB 1.670 34.486 32.500 0.526 0.000 1.315 366 K HN 0.719 nan 8.250 nan 0.000 0.433 367 I N 6.006 126.689 120.570 0.188 0.000 2.352 367 I HA 0.302 4.463 4.170 -0.015 0.000 0.290 367 I C -0.410 175.809 176.117 0.170 0.000 1.036 367 I CA -0.358 60.996 61.300 0.090 0.000 1.336 367 I CB 0.012 38.066 38.000 0.090 0.000 1.407 367 I HN 0.474 nan 8.210 nan 0.000 0.497 368 F N 2.050 122.052 119.950 0.087 0.000 2.711 368 F HA 0.527 5.046 4.527 -0.013 0.000 0.313 368 F C -0.110 175.695 175.800 0.008 0.000 1.141 368 F CA -1.310 56.689 58.000 -0.001 0.000 0.941 368 F CB 0.541 39.495 39.000 -0.077 0.000 1.349 368 F HN 0.136 nan 8.300 nan 0.000 0.464 369 S N 2.014 117.864 115.700 0.250 0.000 2.702 369 S HA 0.089 4.550 4.470 -0.015 0.000 0.314 369 S C -0.314 174.426 174.600 0.233 0.000 1.244 369 S CA 0.183 58.471 58.200 0.148 0.000 1.058 369 S CB -0.580 62.669 63.200 0.082 0.000 0.783 369 S HN 0.737 nan 8.310 nan 0.000 0.503 370 D N 2.100 122.614 120.400 0.191 0.000 2.466 370 D HA 0.173 4.805 4.640 -0.015 0.000 0.262 370 D C 1.242 177.624 176.300 0.137 0.000 1.177 370 D CA -0.940 53.194 54.000 0.223 0.000 1.035 370 D CB 0.356 41.280 40.800 0.208 0.000 1.105 370 D HN 0.470 nan 8.370 nan 0.000 0.551 371 K N -0.582 119.889 120.400 0.118 0.000 2.218 371 K HA -0.223 4.089 4.320 -0.015 0.000 0.205 371 K C 0.135 176.765 176.600 0.049 0.000 1.046 371 K CA 1.560 57.889 56.287 0.070 0.000 0.933 371 K CB -0.276 32.258 32.500 0.057 0.000 0.728 371 K HN 0.221 nan 8.250 nan 0.000 0.454 372 D N 0.080 120.527 120.400 0.078 0.000 2.340 372 D HA 0.083 4.715 4.640 -0.015 0.000 0.220 372 D C 0.934 177.210 176.300 -0.040 0.000 1.039 372 D CA 0.991 55.043 54.000 0.087 0.000 0.866 372 D CB 0.591 41.531 40.800 0.233 0.000 0.913 372 D HN 0.565 nan 8.370 nan 0.000 0.523 373 G N -0.027 108.726 108.800 -0.079 0.000 2.143 373 G HA2 -0.298 3.653 3.960 -0.015 0.000 0.249 373 G HA3 -0.298 3.653 3.960 -0.015 0.000 0.249 373 G C -0.171 174.479 174.900 -0.418 0.000 0.981 373 G CA -0.209 44.742 45.100 -0.249 0.000 0.665 373 G HN 0.303 nan 8.290 nan 0.000 0.528 374 Y N 0.699 120.952 120.300 -0.079 0.000 2.334 374 Y HA 0.551 5.094 4.550 -0.011 0.000 0.328 374 Y C 0.975 176.751 175.900 -0.206 0.000 1.130 374 Y CA -0.649 57.356 58.100 -0.159 0.000 1.163 374 Y CB 1.146 39.523 38.460 -0.138 0.000 1.207 374 Y HN -0.037 nan 8.280 nan 0.000 0.471 375 K N 4.357 124.648 120.400 -0.182 0.000 2.262 375 K HA 0.316 4.627 4.320 -0.015 0.000 0.282 375 K C -0.857 175.478 176.600 -0.442 0.000 1.066 375 K CA -0.393 55.786 56.287 -0.180 0.000 0.901 375 K CB 0.526 32.984 32.500 -0.070 0.000 1.089 375 K HN 0.667 nan 8.250 nan 0.000 0.476 376 H N 1.288 120.286 119.070 -0.120 0.000 2.949 376 H HA 0.380 4.925 4.556 -0.017 0.000 0.356 376 H C -0.168 175.034 175.328 -0.209 0.000 1.212 376 H CA -0.897 55.002 56.048 -0.248 0.000 1.136 376 H CB 1.453 30.988 29.762 -0.378 0.000 1.869 376 H HN 0.355 nan 8.280 nan 0.000 0.556 377 I N 2.330 122.828 120.570 -0.121 0.000 2.441 377 I HA 0.091 4.252 4.170 -0.015 0.000 0.287 377 I C 0.478 176.485 176.117 -0.183 0.000 1.049 377 I CA 0.216 61.456 61.300 -0.101 0.000 1.381 377 I CB 0.309 38.210 38.000 -0.164 0.000 1.409 377 I HN 0.240 nan 8.210 nan 0.000 0.523 378 H N 5.210 124.174 119.070 -0.176 0.000 2.731 378 H HA 0.313 4.860 4.556 -0.014 0.000 0.368 378 H C -1.533 173.826 175.328 0.051 0.000 1.168 378 H CA -0.689 55.283 56.048 -0.126 0.000 1.181 378 H CB 2.713 32.282 29.762 -0.322 0.000 1.743 378 H HN 0.558 nan 8.280 nan 0.000 0.547 379 Y N 2.367 122.642 120.300 -0.043 0.000 2.331 379 Y HA 0.432 4.973 4.550 -0.015 0.000 0.334 379 Y C -1.296 174.403 175.900 -0.335 0.000 0.960 379 Y CA -0.705 57.228 58.100 -0.277 0.000 1.130 379 Y CB 0.650 39.027 38.460 -0.138 0.000 1.164 379 Y HN 0.402 nan 8.280 nan 0.000 0.458 380 I N 7.860 127.934 120.570 -0.827 0.000 2.382 380 I HA 0.317 4.478 4.170 -0.015 0.000 0.286 380 I C -0.159 175.464 176.117 -0.823 0.000 1.002 380 I CA -0.582 60.219 61.300 -0.831 0.000 1.135 380 I CB 2.038 39.387 38.000 -1.085 0.000 1.288 380 I HN 0.784 nan 8.210 nan 0.000 0.448 381 K N 3.150 123.178 120.400 -0.621 0.000 2.530 381 K HA 0.044 4.355 4.320 -0.015 0.000 0.218 381 K C 0.983 177.485 176.600 -0.163 0.000 1.064 381 K CA 0.339 56.400 56.287 -0.377 0.000 1.084 381 K CB -0.025 32.269 32.500 -0.345 0.000 1.392 381 K HN 0.710 nan 8.250 nan 0.000 0.465 382 D N 0.731 121.059 120.400 -0.121 0.000 2.041 382 D HA -0.105 4.526 4.640 -0.015 0.000 0.263 382 D C 0.749 177.045 176.300 -0.008 0.000 1.038 382 D CA 0.940 54.929 54.000 -0.017 0.000 0.903 382 D CB -1.306 39.489 40.800 -0.009 0.000 1.013 382 D HN 0.281 nan 8.370 nan 0.000 0.408 383 T N -2.476 112.025 114.554 -0.090 0.000 2.913 383 T HA 0.319 4.660 4.350 -0.015 0.000 0.287 383 T C 1.096 175.570 174.700 -0.377 0.000 1.008 383 T CA -0.532 61.453 62.100 -0.192 0.000 1.067 383 T CB 1.638 70.447 68.868 -0.098 0.000 0.996 383 T HN 0.087 nan 8.240 nan 0.000 0.513 384 V N 1.320 120.902 119.914 -0.553 0.000 2.719 384 V HA -0.013 4.098 4.120 -0.015 0.000 0.252 384 V C 2.225 178.190 176.094 -0.215 0.000 1.065 384 V CA 1.651 63.685 62.300 -0.444 0.000 1.086 384 V CB -0.911 30.637 31.823 -0.459 0.000 0.700 384 V HN 0.971 nan 8.190 nan 0.000 0.467 385 E N 0.576 120.673 120.200 -0.171 0.000 2.333 385 E HA -0.126 4.215 4.350 -0.015 0.000 0.198 385 E C 1.576 178.126 176.600 -0.083 0.000 1.007 385 E CA 0.997 57.337 56.400 -0.100 0.000 0.845 385 E CB -0.177 29.475 29.700 -0.081 0.000 0.766 385 E HN 0.523 nan 8.360 nan 0.000 0.507 386 N N -0.163 118.466 118.700 -0.117 0.000 2.236 386 N HA 0.172 4.903 4.740 -0.015 0.000 0.196 386 N C -0.404 175.034 175.510 -0.121 0.000 1.114 386 N CA 0.281 53.264 53.050 -0.112 0.000 0.859 386 N CB 0.341 38.752 38.487 -0.127 0.000 0.982 386 N HN 0.077 nan 8.380 nan 0.000 0.493 387 A N 0.888 123.646 122.820 -0.102 0.000 2.586 387 A HA 0.087 4.398 4.320 -0.015 0.000 0.231 387 A C 0.322 177.899 177.584 -0.012 0.000 1.055 387 A CA 0.371 52.372 52.037 -0.061 0.000 0.756 387 A CB -0.103 18.964 19.000 0.111 0.000 0.988 387 A HN 0.231 nan 8.150 nan 0.000 0.509 388 I N 1.678 122.227 120.570 -0.036 0.000 2.354 388 I HA 0.178 4.339 4.170 -0.015 0.000 0.292 388 I C 0.549 176.638 176.117 -0.047 0.000 0.989 388 I CA -0.204 61.072 61.300 -0.039 0.000 1.188 388 I CB 1.508 39.472 38.000 -0.060 0.000 1.342 388 I HN 0.815 nan 8.210 nan 0.000 0.457 389 Q N 6.576 126.276 119.800 -0.167 0.000 2.296 389 Q HA 0.222 4.553 4.340 -0.015 0.000 0.262 389 Q C 0.480 176.366 176.000 -0.191 0.000 0.981 389 Q CA -0.014 55.510 55.803 -0.464 0.000 0.905 389 Q CB 0.859 29.280 28.738 -0.528 0.000 1.186 389 Q HN 0.799 nan 8.270 nan 0.000 0.399 390 I N -0.118 120.335 120.570 -0.195 0.000 4.081 390 I HA 0.386 4.547 4.170 -0.015 0.000 0.333 390 I C -0.384 175.642 176.117 -0.152 0.000 1.413 390 I CA -0.411 60.856 61.300 -0.054 0.000 1.110 390 I CB 1.287 39.316 38.000 0.048 0.000 1.082 390 I HN 0.280 nan 8.210 nan 0.000 0.402 391 T N 1.149 115.529 114.554 -0.289 0.000 2.909 391 T HA 0.711 5.052 4.350 -0.015 0.000 0.299 391 T C -0.634 173.555 174.700 -0.852 0.000 1.073 391 T CA -0.346 61.543 62.100 -0.351 0.000 0.999 391 T CB 2.184 70.905 68.868 -0.245 0.000 1.098 391 T HN 0.481 nan 8.240 nan 0.000 0.477 392 S N 0.410 115.480 115.700 -1.050 0.000 2.595 392 S HA 0.925 5.386 4.470 -0.015 0.000 0.270 392 S C -0.483 173.559 174.600 -0.930 0.000 1.145 392 S CA -0.232 57.087 58.200 -1.468 0.000 0.825 392 S CB 1.492 64.296 63.200 -0.660 0.000 1.107 392 S HN 1.739 nan 8.310 nan 0.000 0.461 393 G N 0.671 109.018 108.800 -0.754 0.000 2.340 393 G HA2 0.213 4.164 3.960 -0.015 0.000 0.527 393 G HA3 0.213 4.164 3.960 -0.015 0.000 0.527 393 G C -1.769 172.680 174.900 -0.752 0.000 1.381 393 G CA -1.096 43.715 45.100 -0.482 0.000 1.001 393 G HN 0.780 nan 8.290 nan 0.000 0.626 394 K N 1.651 121.769 120.400 -0.469 0.000 2.187 394 K HA 0.386 4.698 4.320 -0.015 0.000 0.242 394 K C -0.011 176.487 176.600 -0.169 0.000 1.179 394 K CA -0.085 55.732 56.287 -0.783 0.000 1.097 394 K CB 0.051 32.336 32.500 -0.358 0.000 1.634 394 K HN 0.617 nan 8.250 nan 0.000 0.335 395 W N 0.015 121.147 121.300 -0.280 0.000 3.073 395 W HA 0.285 4.938 4.660 -0.011 0.000 0.347 395 W C -1.758 174.731 176.519 -0.049 0.000 1.059 395 W CA -0.734 56.589 57.345 -0.037 0.000 1.075 395 W CB 0.358 29.814 29.460 -0.007 0.000 1.467 395 W HN 0.056 nan 8.180 nan 0.000 0.555 396 E N 0.894 121.251 120.200 0.262 0.000 2.293 396 E HA 0.552 4.893 4.350 -0.015 0.000 0.270 396 E C -0.640 176.071 176.600 0.186 0.000 0.879 396 E CA -0.884 55.462 56.400 -0.089 0.000 0.756 396 E CB 2.746 32.474 29.700 0.047 0.000 1.208 396 E HN 0.548 nan 8.360 nan 0.000 0.428 397 A N 3.328 126.125 122.820 -0.038 0.000 2.404 397 A HA 0.228 4.539 4.320 -0.015 0.000 0.273 397 A C 0.529 178.204 177.584 0.151 0.000 1.144 397 A CA 0.123 52.262 52.037 0.170 0.000 0.806 397 A CB -0.200 18.776 19.000 -0.041 0.000 1.080 397 A HN 0.697 nan 8.150 nan 0.000 0.509 398 I N 1.145 121.844 120.570 0.215 0.000 2.927 398 I HA 0.107 4.268 4.170 -0.015 0.000 0.268 398 I C 0.521 176.712 176.117 0.122 0.000 1.153 398 I CA 0.453 61.843 61.300 0.151 0.000 1.459 398 I CB 0.203 38.213 38.000 0.017 0.000 1.149 398 I HN 0.706 nan 8.210 nan 0.000 0.443 399 N N 0.221 118.985 118.700 0.107 0.000 2.452 399 N HA 0.358 5.089 4.740 -0.015 0.000 0.277 399 N C -1.342 174.144 175.510 -0.040 0.000 1.078 399 N CA -0.421 52.598 53.050 -0.053 0.000 0.947 399 N CB 1.635 39.950 38.487 -0.286 0.000 1.655 399 N HN -0.032 nan 8.380 nan 0.000 0.490 400 I N 4.445 125.002 120.570 -0.022 0.000 2.322 400 I HA 0.206 4.367 4.170 -0.015 0.000 0.292 400 I C 0.493 176.605 176.117 -0.009 0.000 1.060 400 I CA -0.354 60.994 61.300 0.080 0.000 1.309 400 I CB 0.298 38.366 38.000 0.113 0.000 1.415 400 I HN 0.578 nan 8.210 nan 0.000 0.492 401 F N 4.294 124.346 119.950 0.170 0.000 2.179 401 F HA 0.110 4.627 4.527 -0.016 0.000 0.292 401 F C 1.260 177.014 175.800 -0.077 0.000 1.089 401 F CA 0.614 58.678 58.000 0.108 0.000 1.295 401 F CB 0.120 39.238 39.000 0.196 0.000 1.041 401 F HN 0.376 nan 8.300 nan 0.000 0.487 402 R N -0.749 119.751 120.500 -0.000 0.000 2.643 402 R HA 0.586 4.917 4.340 -0.015 0.000 0.269 402 R C -2.149 174.155 176.300 0.007 0.000 1.037 402 R CA -0.507 55.504 56.100 -0.148 0.000 0.894 402 R CB 1.845 31.696 30.300 -0.749 0.000 1.238 402 R HN -0.223 nan 8.270 nan 0.000 0.459 403 V N 3.523 123.465 119.914 0.047 0.000 2.443 403 V HA 0.493 4.604 4.120 -0.015 0.000 0.293 403 V C 0.328 176.486 176.094 0.106 0.000 1.021 403 V CA -0.240 62.085 62.300 0.042 0.000 0.848 403 V CB 1.458 33.338 31.823 0.094 0.000 0.998 403 V HN 1.031 nan 8.190 nan 0.000 0.424 404 T N 1.853 116.436 114.554 0.049 0.000 2.850 404 T HA 0.322 4.664 4.350 -0.015 0.000 0.269 404 T C 0.889 175.520 174.700 -0.115 0.000 1.075 404 T CA -0.144 61.950 62.100 -0.011 0.000 0.987 404 T CB 0.896 69.769 68.868 0.008 0.000 1.889 404 T HN 0.363 nan 8.240 nan 0.000 0.584 405 Q N 0.434 120.053 119.800 -0.301 0.000 2.137 405 Q HA 0.055 4.386 4.340 -0.015 0.000 0.198 405 Q C 1.452 177.401 176.000 -0.085 0.000 0.960 405 Q CA 1.740 57.399 55.803 -0.239 0.000 0.847 405 Q CB 0.129 28.685 28.738 -0.303 0.000 0.915 405 Q HN 0.702 nan 8.270 nan 0.000 0.448 406 D N -1.550 118.796 120.400 -0.089 0.000 2.473 406 D HA 0.145 4.777 4.640 -0.015 0.000 0.242 406 D C 0.086 176.319 176.300 -0.112 0.000 1.106 406 D CA 0.186 54.140 54.000 -0.076 0.000 0.854 406 D CB 0.770 41.532 40.800 -0.062 0.000 1.192 406 D HN -0.085 nan 8.370 nan 0.000 0.503 407 S N 0.436 116.058 115.700 -0.130 0.000 2.600 407 S HA 0.621 5.083 4.470 -0.015 0.000 0.300 407 S C -0.787 173.656 174.600 -0.261 0.000 1.087 407 S CA -0.684 57.368 58.200 -0.246 0.000 0.965 407 S CB 2.664 65.640 63.200 -0.373 0.000 1.089 407 S HN 0.127 nan 8.310 nan 0.000 0.496 408 L N 2.407 123.422 121.223 -0.347 0.000 2.376 408 L HA 0.623 4.954 4.340 -0.015 0.000 0.275 408 L C -1.924 174.830 176.870 -0.193 0.000 0.987 408 L CA -0.605 54.093 54.840 -0.236 0.000 0.828 408 L CB 0.595 42.468 42.059 -0.309 0.000 1.249 408 L HN 0.562 nan 8.230 nan 0.000 0.409 409 F N 5.216 125.141 119.950 -0.041 0.000 2.408 409 F HA 0.547 5.065 4.527 -0.015 0.000 0.344 409 F C -0.232 175.730 175.800 0.270 0.000 1.112 409 F CA -0.304 57.712 58.000 0.026 0.000 1.096 409 F CB 1.137 40.059 39.000 -0.129 0.000 1.129 409 F HN 0.395 nan 8.300 nan 0.000 0.486 410 Y N -0.345 120.175 120.300 0.367 0.000 2.597 410 Y HA 0.698 5.238 4.550 -0.017 0.000 0.340 410 Y C -0.950 175.218 175.900 0.446 0.000 1.097 410 Y CA -1.670 56.668 58.100 0.396 0.000 1.037 410 Y CB 0.946 39.528 38.460 0.204 0.000 1.305 410 Y HN 0.513 nan 8.280 nan 0.000 0.463 411 S N 1.581 117.629 115.700 0.580 0.000 2.651 411 S HA 0.874 5.335 4.470 -0.015 0.000 0.291 411 S C -0.360 174.459 174.600 0.365 0.000 1.141 411 S CA 0.099 58.541 58.200 0.403 0.000 1.027 411 S CB 1.468 64.954 63.200 0.478 0.000 1.043 411 S HN 1.640 nan 8.310 nan 0.000 0.530 412 S N -0.118 115.716 115.700 0.222 0.000 2.587 412 S HA 0.384 4.845 4.470 -0.015 0.000 0.269 412 S C -0.522 174.139 174.600 0.103 0.000 1.154 412 S CA -0.563 57.762 58.200 0.208 0.000 0.824 412 S CB 0.339 63.638 63.200 0.165 0.000 1.118 412 S HN 0.977 nan 8.310 nan 0.000 0.462 413 N N 0.215 118.996 118.700 0.135 0.000 2.235 413 N HA 0.122 4.854 4.740 -0.015 0.000 0.209 413 N C 1.100 176.628 175.510 0.029 0.000 1.122 413 N CA -0.069 53.033 53.050 0.087 0.000 0.845 413 N CB 0.204 38.742 38.487 0.084 0.000 1.004 413 N HN 0.757 nan 8.380 nan 0.000 0.499 414 E N 1.296 121.350 120.200 -0.244 0.000 2.086 414 E HA -0.259 4.082 4.350 -0.015 0.000 0.205 414 E C -0.100 176.377 176.600 -0.206 0.000 1.027 414 E CA 0.828 56.816 56.400 -0.686 0.000 0.830 414 E CB -0.154 28.525 29.700 -1.702 0.000 0.751 414 E HN 0.356 nan 8.360 nan 0.000 0.456 415 F N 2.205 122.070 119.950 -0.142 0.000 2.569 415 F HA -0.054 4.497 4.527 0.039 0.000 0.395 415 F C 0.507 176.327 175.800 0.034 0.000 1.028 415 F CA 1.196 59.177 58.000 -0.032 0.000 1.158 415 F CB -0.201 38.798 39.000 -0.002 0.000 1.023 415 F HN 0.257 nan 8.300 nan 0.000 0.547 416 E N 2.263 122.161 120.200 -0.504 0.000 3.253 416 E HA -0.380 3.961 4.350 -0.015 0.000 0.284 416 E C 0.773 177.232 176.600 -0.234 0.000 0.958 416 E CA 1.034 57.176 56.400 -0.431 0.000 0.917 416 E CB -0.971 28.379 29.700 -0.584 0.000 1.466 416 E HN 0.907 nan 8.360 nan 0.000 0.455 417 E N -2.495 117.620 120.200 -0.143 0.000 2.586 417 E HA -0.310 4.032 4.350 -0.015 0.000 0.259 417 E C -1.124 175.379 176.600 -0.162 0.000 1.107 417 E CA 1.239 57.585 56.400 -0.090 0.000 0.754 417 E CB -2.307 27.375 29.700 -0.030 0.000 1.335 417 E HN 0.519 nan 8.360 nan 0.000 0.411 418 Y N -0.176 120.036 120.300 -0.147 0.000 2.480 418 Y HA 0.242 4.789 4.550 -0.004 0.000 0.341 418 Y C -1.162 174.535 175.900 -0.338 0.000 1.031 418 Y CA -1.732 56.152 58.100 -0.359 0.000 1.295 418 Y CB 0.882 39.188 38.460 -0.257 0.000 1.162 418 Y HN -0.007 nan 8.280 nan 0.000 0.523 419 P HA -0.035 nan 4.420 nan 0.000 0.233 419 P C 1.125 178.374 177.300 -0.086 0.000 1.167 419 P CA 0.956 63.949 63.100 -0.178 0.000 0.770 419 P CB 0.474 32.031 31.700 -0.239 0.000 0.837 420 G N -0.955 107.771 108.800 -0.124 0.000 3.523 420 G HA2 0.105 4.056 3.960 -0.015 0.000 0.270 420 G HA3 0.105 4.056 3.960 -0.015 0.000 0.270 420 G C 0.407 175.393 174.900 0.142 0.000 1.134 420 G CA -0.204 44.918 45.100 0.036 0.000 0.825 420 G HN 0.162 nan 8.290 nan 0.000 0.534 421 R N 0.234 120.769 120.500 0.058 0.000 2.668 421 R HA 0.621 4.952 4.340 -0.015 0.000 0.279 421 R C -0.548 175.662 176.300 -0.149 0.000 0.976 421 R CA -0.798 55.330 56.100 0.048 0.000 0.978 421 R CB 1.293 31.642 30.300 0.081 0.000 1.133 421 R HN -0.040 nan 8.270 nan 0.000 0.484 422 R N 2.055 122.357 120.500 -0.330 0.000 2.451 422 R HA 0.379 4.710 4.340 -0.015 0.000 0.307 422 R C -0.832 175.455 176.300 -0.022 0.000 0.965 422 R CA -0.675 55.249 56.100 -0.293 0.000 0.865 422 R CB 1.414 31.320 30.300 -0.656 0.000 1.174 422 R HN 0.628 nan 8.270 nan 0.000 0.455 423 N N 2.254 120.979 118.700 0.042 0.000 2.335 423 N HA 0.449 5.180 4.740 -0.015 0.000 0.304 423 N C -0.470 175.018 175.510 -0.037 0.000 1.135 423 N CA -0.719 52.296 53.050 -0.058 0.000 0.817 423 N CB 2.742 41.148 38.487 -0.134 0.000 1.294 423 N HN 0.456 nan 8.380 nan 0.000 0.497 424 I N -0.042 120.362 120.570 -0.278 0.000 2.493 424 I HA 0.515 4.676 4.170 -0.015 0.000 0.298 424 I C -1.548 174.353 176.117 -0.359 0.000 0.998 424 I CA -0.262 60.934 61.300 -0.173 0.000 1.137 424 I CB 0.854 38.732 38.000 -0.203 0.000 1.310 424 I HN 0.325 nan 8.210 nan 0.000 0.445 425 Y N 5.032 125.037 120.300 -0.492 0.000 2.536 425 Y HA 0.679 5.216 4.550 -0.021 0.000 0.347 425 Y C -0.332 175.277 175.900 -0.485 0.000 1.000 425 Y CA -0.760 57.000 58.100 -0.567 0.000 1.051 425 Y CB 1.778 39.688 38.460 -0.917 0.000 1.259 425 Y HN 0.585 nan 8.280 nan 0.000 0.468 426 R N 2.628 122.973 120.500 -0.257 0.000 2.740 426 R HA 0.892 5.223 4.340 -0.015 0.000 0.282 426 R C -1.536 174.664 176.300 -0.167 0.000 0.969 426 R CA -0.861 55.007 56.100 -0.386 0.000 0.918 426 R CB 1.941 31.766 30.300 -0.791 0.000 1.175 426 R HN 0.741 nan 8.270 nan 0.000 0.464 427 I N -1.275 119.214 120.570 -0.135 0.000 2.647 427 I HA 0.425 4.587 4.170 -0.015 0.000 0.295 427 I C -0.036 175.995 176.117 -0.142 0.000 1.078 427 I CA -1.135 60.126 61.300 -0.066 0.000 1.048 427 I CB 2.425 40.460 38.000 0.058 0.000 1.239 427 I HN 0.791 nan 8.210 nan 0.000 0.421 428 S N 4.384 120.014 115.700 -0.115 0.000 2.564 428 S HA 0.408 4.869 4.470 -0.015 0.000 0.278 428 S C 0.370 174.900 174.600 -0.116 0.000 1.333 428 S CA -0.362 57.769 58.200 -0.115 0.000 1.048 428 S CB 1.050 64.199 63.200 -0.085 0.000 0.900 428 S HN 0.864 nan 8.310 nan 0.000 0.505 429 I N -0.748 119.749 120.570 -0.122 0.000 4.147 429 I HA 0.511 4.672 4.170 -0.015 0.000 0.329 429 I C 1.308 177.366 176.117 -0.098 0.000 1.424 429 I CA -0.341 60.874 61.300 -0.141 0.000 1.127 429 I CB 0.038 37.924 38.000 -0.190 0.000 1.128 429 I HN 0.677 nan 8.210 nan 0.000 0.417 430 G N 0.823 109.594 108.800 -0.049 0.000 2.603 430 G HA2 0.245 4.196 3.960 -0.015 0.000 0.214 430 G HA3 0.245 4.196 3.960 -0.015 0.000 0.214 430 G C 0.500 175.412 174.900 0.021 0.000 1.140 430 G CA 0.813 45.910 45.100 -0.006 0.000 0.800 430 G HN 0.508 nan 8.290 nan 0.000 0.533 431 S N -1.888 113.823 115.700 0.019 0.000 2.537 431 S HA 0.494 4.955 4.470 -0.015 0.000 0.271 431 S C -1.097 173.558 174.600 0.091 0.000 1.148 431 S CA -0.911 57.326 58.200 0.062 0.000 0.868 431 S CB 1.272 64.496 63.200 0.040 0.000 1.115 431 S HN 0.144 nan 8.310 nan 0.000 0.461 432 Y N 3.634 123.935 120.300 0.002 0.000 2.223 432 Y HA 0.394 4.936 4.550 -0.014 0.000 0.352 432 Y C -1.679 174.216 175.900 -0.009 0.000 1.293 432 Y CA -0.432 57.668 58.100 -0.001 0.000 1.601 432 Y CB -0.230 38.238 38.460 0.014 0.000 1.407 432 Y HN 0.674 nan 8.280 nan 0.000 0.639 433 P HA -0.175 nan 4.420 nan 0.000 0.247 433 P C -2.622 174.487 177.300 -0.318 0.000 1.073 433 P CA -0.162 62.518 63.100 -0.701 0.000 0.773 433 P CB -0.813 30.635 31.700 -0.420 0.000 0.653 434 P HA 0.008 nan 4.420 nan 0.000 0.264 434 P C 0.185 177.421 177.300 -0.106 0.000 1.193 434 P CA 0.331 63.353 63.100 -0.130 0.000 0.763 434 P CB 0.692 32.337 31.700 -0.091 0.000 0.810 435 S N 2.126 117.777 115.700 -0.081 0.000 2.580 435 S HA 0.235 4.696 4.470 -0.015 0.000 0.274 435 S C 0.125 174.702 174.600 -0.038 0.000 1.329 435 S CA -0.187 57.976 58.200 -0.062 0.000 1.036 435 S CB 0.188 63.351 63.200 -0.062 0.000 0.919 435 S HN 0.368 nan 8.310 nan 0.000 0.515 436 K N 2.047 122.438 120.400 -0.015 0.000 2.397 436 K HA 0.442 4.753 4.320 -0.015 0.000 0.253 436 K C -1.217 175.385 176.600 0.003 0.000 0.932 436 K CA -0.616 55.689 56.287 0.031 0.000 0.795 436 K CB 1.009 33.560 32.500 0.084 0.000 1.159 436 K HN 0.444 nan 8.250 nan 0.000 0.424 437 K N 4.200 124.584 120.400 -0.027 0.000 2.507 437 K HA 0.292 4.604 4.320 -0.015 0.000 0.252 437 K C -1.587 174.870 176.600 -0.239 0.000 0.943 437 K CA -0.737 55.484 56.287 -0.110 0.000 0.808 437 K CB 1.538 33.963 32.500 -0.125 0.000 1.142 437 K HN 0.730 nan 8.250 nan 0.000 0.426 438 C N 5.411 124.465 119.300 -0.409 0.000 2.442 438 C HA 0.158 4.610 4.460 -0.015 0.000 0.362 438 C C 1.828 176.453 174.990 -0.608 0.000 1.242 438 C CA -0.572 57.874 59.018 -0.953 0.000 1.741 438 C CB -0.501 26.566 27.740 -1.122 0.000 2.378 438 C HN 0.836 nan 8.230 nan 0.000 0.549 439 V N 5.601 125.184 119.914 -0.552 0.000 2.548 439 V HA -0.069 4.042 4.120 -0.015 0.000 0.249 439 V C 2.183 177.994 176.094 -0.472 0.000 1.055 439 V CA 2.941 65.015 62.300 -0.377 0.000 1.065 439 V CB -0.134 31.551 31.823 -0.229 0.000 0.681 439 V HN 1.049 nan 8.190 nan 0.000 0.462 440 T N -4.319 109.825 114.554 -0.684 0.000 3.031 440 T HA -0.117 4.224 4.350 -0.015 0.000 0.254 440 T C 1.928 176.258 174.700 -0.617 0.000 1.060 440 T CA 1.000 62.604 62.100 -0.826 0.000 1.135 440 T CB -0.885 67.128 68.868 -1.426 0.000 0.896 440 T HN 0.488 nan 8.240 nan 0.000 0.472 441 C N 1.895 120.750 119.300 -0.741 0.000 2.326 441 C HA -0.210 4.241 4.460 -0.015 0.000 0.269 441 C C 2.245 176.739 174.990 -0.826 0.000 1.140 441 C CA 1.611 59.991 59.018 -1.064 0.000 1.798 441 C CB -1.372 25.491 27.740 -1.462 0.000 2.053 441 C HN 0.733 nan 8.230 nan 0.000 0.438 442 H N -1.220 117.615 119.070 -0.392 0.000 2.672 442 H HA 0.263 4.808 4.556 -0.019 0.000 0.277 442 H C 1.647 176.899 175.328 -0.126 0.000 1.074 442 H CA -0.293 55.639 56.048 -0.193 0.000 1.173 442 H CB -0.105 29.569 29.762 -0.147 0.000 1.558 442 H HN 0.316 nan 8.280 nan 0.000 0.539 443 L N 0.287 121.467 121.223 -0.073 0.000 1.989 443 L HA -0.073 4.258 4.340 -0.015 0.000 0.211 443 L C 0.058 176.938 176.870 0.017 0.000 1.071 443 L CA 1.867 56.689 54.840 -0.030 0.000 0.749 443 L CB 0.105 42.126 42.059 -0.065 0.000 0.890 443 L HN 0.239 nan 8.230 nan 0.000 0.431 444 R N -0.765 119.759 120.500 0.040 0.000 2.721 444 R HA 0.110 4.441 4.340 -0.015 0.000 0.272 444 R C 0.660 176.974 176.300 0.023 0.000 1.721 444 R CA -0.181 55.935 56.100 0.027 0.000 1.325 444 R CB 1.180 31.491 30.300 0.017 0.000 1.271 444 R HN 0.036 nan 8.270 nan 0.000 0.556 445 K N 1.342 121.748 120.400 0.009 0.000 2.020 445 K HA -0.225 4.087 4.320 -0.015 0.000 0.212 445 K C 1.023 177.635 176.600 0.020 0.000 1.050 445 K CA 1.811 58.099 56.287 0.000 0.000 0.929 445 K CB 0.311 32.822 32.500 0.019 0.000 0.714 445 K HN 0.419 nan 8.250 nan 0.000 0.443 446 E N -0.479 119.728 120.200 0.012 0.000 2.112 446 E HA -0.100 4.241 4.350 -0.015 0.000 0.190 446 E C 2.211 178.800 176.600 -0.018 0.000 0.979 446 E CA 0.416 56.816 56.400 -0.001 0.000 0.814 446 E CB 0.153 29.853 29.700 0.000 0.000 0.762 446 E HN 0.166 nan 8.360 nan 0.000 0.460 447 R N -0.341 120.141 120.500 -0.030 0.000 2.090 447 R HA 0.013 4.344 4.340 -0.015 0.000 0.228 447 R C -0.075 176.174 176.300 -0.084 0.000 1.110 447 R CA 0.699 56.761 56.100 -0.064 0.000 0.973 447 R CB 0.213 30.460 30.300 -0.087 0.000 0.869 447 R HN 0.137 nan 8.270 nan 0.000 0.440 448 c N 0.874 119.441 118.600 -0.057 0.000 2.407 448 c HA 0.388 4.949 4.570 -0.015 0.000 0.328 448 c C 0.028 174.144 174.090 0.043 0.000 1.137 448 c CA -0.771 55.489 56.329 -0.115 0.000 1.390 448 c CB 1.561 43.947 42.510 -0.205 0.000 1.989 448 c HN 0.384 nan 8.230 nan 0.000 0.432 449 Q N 1.043 120.865 119.800 0.036 0.000 2.057 449 Q HA 0.208 4.540 4.340 -0.015 0.000 0.216 449 Q C -1.129 174.980 176.000 0.181 0.000 0.788 449 Q CA 0.064 55.952 55.803 0.142 0.000 1.053 449 Q CB 0.963 29.751 28.738 0.084 0.000 1.210 449 Q HN 0.865 nan 8.270 nan 0.000 0.455 450 Y N 0.208 120.501 120.300 -0.011 0.000 2.373 450 Y HA 0.390 4.929 4.550 -0.017 0.000 0.327 450 Y C -1.641 174.248 175.900 -0.019 0.000 1.036 450 Y CA -0.776 57.354 58.100 0.050 0.000 1.265 450 Y CB 0.866 39.361 38.460 0.059 0.000 1.108 450 Y HN -0.073 nan 8.280 nan 0.000 0.471 451 Y N 2.521 122.798 120.300 -0.040 0.000 2.409 451 Y HA 0.542 5.081 4.550 -0.018 0.000 0.343 451 Y C 0.308 176.246 175.900 0.063 0.000 0.973 451 Y CA -0.660 57.439 58.100 -0.001 0.000 1.064 451 Y CB 2.531 40.923 38.460 -0.114 0.000 1.207 451 Y HN 0.460 nan 8.280 nan 0.000 0.452 452 T N 1.585 116.306 114.554 0.277 0.000 2.940 452 T HA 0.909 5.250 4.350 -0.015 0.000 0.288 452 T C -1.115 173.571 174.700 -0.024 0.000 1.045 452 T CA -0.546 61.714 62.100 0.266 0.000 1.018 452 T CB 0.930 70.146 68.868 0.581 0.000 1.151 452 T HN 0.771 nan 8.240 nan 0.000 0.529 453 A N 1.345 123.962 122.820 -0.339 0.000 2.413 453 A HA 0.785 5.096 4.320 -0.015 0.000 0.307 453 A C -0.645 176.926 177.584 -0.023 0.000 1.087 453 A CA -0.690 51.101 52.037 -0.410 0.000 0.750 453 A CB 1.872 20.389 19.000 -0.805 0.000 1.296 453 A HN 0.756 nan 8.150 nan 0.000 0.423 454 S N 0.679 116.404 115.700 0.042 0.000 2.672 454 S HA 0.725 5.186 4.470 -0.015 0.000 0.291 454 S C -1.445 173.328 174.600 0.289 0.000 1.145 454 S CA -0.371 58.073 58.200 0.407 0.000 1.013 454 S CB 0.133 63.700 63.200 0.611 0.000 1.017 454 S HN 0.445 nan 8.310 nan 0.000 0.487 455 F N 2.963 123.031 119.950 0.197 0.000 2.422 455 F HA 0.500 5.017 4.527 -0.016 0.000 0.333 455 F C 1.231 176.541 175.800 -0.817 0.000 1.095 455 F CA -0.537 57.354 58.000 -0.183 0.000 1.038 455 F CB 1.877 40.767 39.000 -0.184 0.000 1.156 455 F HN 0.644 nan 8.300 nan 0.000 0.483 456 S N 0.625 115.606 115.700 -1.198 0.000 2.641 456 S HA 0.243 4.704 4.470 -0.015 0.000 0.261 456 S C -0.494 173.869 174.600 -0.395 0.000 1.257 456 S CA -1.178 56.226 58.200 -1.326 0.000 0.983 456 S CB 0.559 63.069 63.200 -1.151 0.000 0.990 456 S HN 0.482 nan 8.310 nan 0.000 0.572 457 D N 0.365 120.642 120.400 -0.205 0.000 2.423 457 D HA 0.107 4.738 4.640 -0.015 0.000 0.238 457 D C 0.255 176.499 176.300 -0.094 0.000 1.142 457 D CA 0.587 54.461 54.000 -0.210 0.000 0.884 457 D CB -0.416 40.241 40.800 -0.238 0.000 1.199 457 D HN 0.721 nan 8.370 nan 0.000 0.438 458 Y N -0.106 120.244 120.300 0.083 0.000 4.787 458 Y HA -0.346 4.195 4.550 -0.015 0.000 0.224 458 Y C 1.305 177.230 175.900 0.041 0.000 1.017 458 Y CA 0.586 58.742 58.100 0.093 0.000 1.949 458 Y CB -2.048 36.472 38.460 0.099 0.000 1.605 458 Y HN 0.628 nan 8.280 nan 0.000 0.587 459 A N -0.718 122.162 122.820 0.100 0.000 2.791 459 A HA -0.352 3.959 4.320 -0.015 0.000 0.292 459 A C 1.471 179.105 177.584 0.085 0.000 1.487 459 A CA 1.500 53.609 52.037 0.120 0.000 0.760 459 A CB -1.586 17.463 19.000 0.082 0.000 1.031 459 A HN 0.653 nan 8.150 nan 0.000 0.503 460 K N -2.006 118.392 120.400 -0.004 0.000 2.148 460 K HA 0.040 4.351 4.320 -0.015 0.000 0.204 460 K C 0.146 176.414 176.600 -0.552 0.000 1.050 460 K CA 1.666 57.816 56.287 -0.228 0.000 0.942 460 K CB 0.012 32.407 32.500 -0.175 0.000 0.724 460 K HN 0.773 nan 8.250 nan 0.000 0.446 461 Y N -1.527 118.764 120.300 -0.014 0.000 2.625 461 Y HA 0.285 4.826 4.550 -0.015 0.000 0.338 461 Y C -0.860 174.943 175.900 -0.162 0.000 1.123 461 Y CA -1.611 56.454 58.100 -0.059 0.000 1.046 461 Y CB 1.635 40.113 38.460 0.029 0.000 1.299 461 Y HN -0.063 nan 8.280 nan 0.000 0.464 462 Y N -0.884 119.368 120.300 -0.080 0.000 2.571 462 Y HA 0.925 5.465 4.550 -0.016 0.000 0.341 462 Y C -1.245 174.613 175.900 -0.070 0.000 1.076 462 Y CA -1.963 55.907 58.100 -0.383 0.000 1.029 462 Y CB 0.954 38.529 38.460 -1.476 0.000 1.308 462 Y HN 0.723 nan 8.280 nan 0.000 0.461 463 A N 3.537 126.459 122.820 0.171 0.000 2.306 463 A HA 0.763 5.074 4.320 -0.015 0.000 0.314 463 A C -1.194 176.371 177.584 -0.031 0.000 1.164 463 A CA -0.833 51.229 52.037 0.040 0.000 0.822 463 A CB 0.648 19.639 19.000 -0.014 0.000 1.130 463 A HN 0.813 nan 8.150 nan 0.000 0.496 464 L N 2.519 123.716 121.223 -0.043 0.000 2.322 464 L HA 0.513 4.844 4.340 -0.015 0.000 0.281 464 L C -0.994 175.800 176.870 -0.125 0.000 1.014 464 L CA -0.800 54.011 54.840 -0.049 0.000 0.815 464 L CB 1.907 43.945 42.059 -0.036 0.000 1.247 464 L HN 0.437 nan 8.230 nan 0.000 0.421 465 V N 2.406 122.197 119.914 -0.204 0.000 2.378 465 V HA 0.234 4.345 4.120 -0.015 0.000 0.288 465 V C -0.139 175.663 176.094 -0.486 0.000 1.016 465 V CA -0.719 61.322 62.300 -0.432 0.000 0.840 465 V CB 1.686 33.081 31.823 -0.714 0.000 0.994 465 V HN 0.911 nan 8.190 nan 0.000 0.431 466 c N 5.000 123.225 118.600 -0.625 0.000 2.319 466 c HA 0.592 5.153 4.570 -0.015 0.000 0.335 466 c C 0.759 174.493 174.090 -0.593 0.000 1.274 466 c CA -0.268 55.574 56.329 -0.812 0.000 1.806 466 c CB 0.013 41.923 42.510 -1.000 0.000 2.329 466 c HN 0.925 nan 8.230 nan 0.000 0.524 467 Y N 3.649 123.824 120.300 -0.209 0.000 2.458 467 Y HA 0.443 4.983 4.550 -0.017 0.000 0.254 467 Y C 1.585 177.353 175.900 -0.221 0.000 1.120 467 Y CA 0.797 58.786 58.100 -0.185 0.000 1.282 467 Y CB 0.600 39.047 38.460 -0.022 0.000 1.109 467 Y HN 1.093 nan 8.280 nan 0.000 0.526 468 G N -1.109 107.663 108.800 -0.047 0.000 2.324 468 G HA2 0.079 4.031 3.960 -0.015 0.000 0.293 468 G HA3 0.079 4.031 3.960 -0.015 0.000 0.293 468 G C -2.603 172.292 174.900 -0.008 0.000 1.297 468 G CA -0.881 44.216 45.100 -0.005 0.000 0.853 468 G HN -0.320 nan 8.290 nan 0.000 0.535 469 P HA 0.133 nan 4.420 nan 0.000 0.221 469 P C 1.427 178.800 177.300 0.122 0.000 1.150 469 P CA 1.486 64.619 63.100 0.056 0.000 0.800 469 P CB 0.127 31.837 31.700 0.016 0.000 0.787 470 G N -0.212 108.589 108.800 0.000 0.000 2.621 470 G HA2 0.288 4.239 3.960 -0.015 0.000 0.271 470 G HA3 0.288 4.239 3.960 -0.015 0.000 0.271 470 G C -0.275 174.389 174.900 -0.394 0.000 1.236 470 G CA -0.691 44.365 45.100 -0.074 0.000 0.958 470 G HN 0.008 nan 8.290 nan 0.000 0.512 471 I N 2.004 122.187 120.570 -0.644 0.000 2.919 471 I HA -0.028 4.133 4.170 -0.015 0.000 0.299 471 I C -1.673 174.054 176.117 -0.651 0.000 1.221 471 I CA -0.591 60.114 61.300 -0.991 0.000 1.424 471 I CB 0.562 38.217 38.000 -0.575 0.000 1.358 471 I HN 0.199 nan 8.210 nan 0.000 0.551 472 P HA 0.227 nan 4.420 nan 0.000 0.269 472 P C -0.662 176.417 177.300 -0.367 0.000 1.215 472 P CA -0.034 62.742 63.100 -0.540 0.000 0.780 472 P CB 0.748 32.018 31.700 -0.716 0.000 0.898 473 I N 0.258 120.623 120.570 -0.342 0.000 2.692 473 I HA 0.314 4.475 4.170 -0.015 0.000 0.293 473 I C -1.209 174.751 176.117 -0.262 0.000 1.200 473 I CA -0.345 60.802 61.300 -0.254 0.000 1.036 473 I CB 1.720 39.596 38.000 -0.208 0.000 1.258 473 I HN 0.169 nan 8.210 nan 0.000 0.421 474 S N 4.517 120.084 115.700 -0.223 0.000 2.454 474 S HA 0.779 5.240 4.470 -0.015 0.000 0.306 474 S C -0.572 173.892 174.600 -0.227 0.000 1.100 474 S CA -0.630 57.426 58.200 -0.239 0.000 1.087 474 S CB 1.509 64.576 63.200 -0.222 0.000 1.019 474 S HN 0.697 nan 8.310 nan 0.000 0.480 475 T N 0.037 114.492 114.554 -0.165 0.000 2.903 475 T HA 0.676 5.017 4.350 -0.015 0.000 0.299 475 T C -0.976 173.651 174.700 -0.121 0.000 1.093 475 T CA -0.844 61.163 62.100 -0.156 0.000 1.002 475 T CB 1.198 70.041 68.868 -0.041 0.000 1.127 475 T HN 0.332 nan 8.240 nan 0.000 0.488 476 L N 2.018 123.087 121.223 -0.257 0.000 2.295 476 L HA 0.665 4.996 4.340 -0.015 0.000 0.285 476 L C -1.151 175.491 176.870 -0.381 0.000 1.035 476 L CA -0.111 54.598 54.840 -0.217 0.000 0.806 476 L CB 0.519 42.447 42.059 -0.218 0.000 1.214 476 L HN 0.838 nan 8.230 nan 0.000 0.426 477 H N 2.189 121.026 119.070 -0.387 0.000 2.637 477 H HA 0.363 4.911 4.556 -0.014 0.000 0.363 477 H C -0.983 174.110 175.328 -0.392 0.000 1.131 477 H CA -0.706 55.021 56.048 -0.535 0.000 1.183 477 H CB 1.549 30.685 29.762 -1.043 0.000 1.637 477 H HN 0.583 nan 8.280 nan 0.000 0.531 478 D N 1.626 122.000 120.400 -0.043 0.000 2.390 478 D HA -0.005 4.626 4.640 -0.015 0.000 0.249 478 D C 1.139 177.460 176.300 0.035 0.000 1.144 478 D CA 0.282 54.336 54.000 0.090 0.000 0.880 478 D CB 1.390 42.242 40.800 0.086 0.000 1.182 478 D HN 0.843 nan 8.370 nan 0.000 0.451 479 G N 4.412 113.207 108.800 -0.008 0.000 2.418 479 G HA2 -0.260 3.692 3.960 -0.015 0.000 0.217 479 G HA3 -0.260 3.692 3.960 -0.015 0.000 0.217 479 G C 1.577 176.629 174.900 0.255 0.000 1.158 479 G CA 0.233 45.448 45.100 0.192 0.000 0.771 479 G HN 0.537 nan 8.290 nan 0.000 0.545 480 R N -0.991 119.572 120.500 0.104 0.000 2.093 480 R HA 0.029 4.360 4.340 -0.015 0.000 0.224 480 R C 2.287 178.653 176.300 0.110 0.000 1.101 480 R CA 1.513 57.670 56.100 0.095 0.000 0.979 480 R CB -0.101 30.215 30.300 0.026 0.000 0.877 480 R HN 0.344 nan 8.270 nan 0.000 0.441 481 T N -0.898 113.720 114.554 0.107 0.000 2.971 481 T HA 0.053 4.394 4.350 -0.015 0.000 0.252 481 T C -0.210 174.556 174.700 0.110 0.000 1.022 481 T CA 0.234 62.382 62.100 0.081 0.000 0.980 481 T CB 0.305 69.201 68.868 0.046 0.000 1.044 481 T HN 0.287 nan 8.240 nan 0.000 0.501 482 D N 0.930 121.437 120.400 0.180 0.000 2.946 482 D HA -0.136 4.495 4.640 -0.015 0.000 0.202 482 D C 0.291 176.706 176.300 0.191 0.000 1.068 482 D CA 0.733 54.873 54.000 0.233 0.000 1.011 482 D CB -0.964 39.965 40.800 0.215 0.000 1.105 482 D HN 0.581 nan 8.370 nan 0.000 0.425 483 Q N 1.504 121.356 119.800 0.086 0.000 2.327 483 Q HA 0.182 4.513 4.340 -0.015 0.000 0.254 483 Q C 0.167 176.087 176.000 -0.133 0.000 0.952 483 Q CA -0.230 55.582 55.803 0.014 0.000 0.884 483 Q CB 0.799 29.530 28.738 -0.012 0.000 1.224 483 Q HN 0.316 nan 8.270 nan 0.000 0.422 484 E N 4.188 124.207 120.200 -0.301 0.000 2.316 484 E HA 0.143 4.484 4.350 -0.015 0.000 0.275 484 E C 0.517 176.903 176.600 -0.358 0.000 1.029 484 E CA -0.225 55.766 56.400 -0.683 0.000 0.871 484 E CB 0.486 29.690 29.700 -0.828 0.000 1.022 484 E HN 0.757 nan 8.360 nan 0.000 0.418 485 I N -0.700 119.667 120.570 -0.337 0.000 4.181 485 I HA 0.361 4.522 4.170 -0.015 0.000 0.331 485 I C 0.144 176.146 176.117 -0.192 0.000 1.312 485 I CA -0.392 60.793 61.300 -0.192 0.000 1.146 485 I CB 0.395 38.326 38.000 -0.114 0.000 1.074 485 I HN 0.318 nan 8.210 nan 0.000 0.402 486 K N 2.057 122.302 120.400 -0.258 0.000 2.570 486 K HA 0.398 4.709 4.320 -0.015 0.000 0.256 486 K C -1.244 175.183 176.600 -0.290 0.000 0.939 486 K CA -0.638 55.497 56.287 -0.253 0.000 0.833 486 K CB 3.023 35.367 32.500 -0.260 0.000 1.318 486 K HN -0.016 nan 8.250 nan 0.000 0.433 487 I N 6.210 126.625 120.570 -0.257 0.000 2.533 487 I HA -0.001 4.160 4.170 -0.015 0.000 0.284 487 I C 1.355 177.267 176.117 -0.342 0.000 1.109 487 I CA 0.286 61.432 61.300 -0.256 0.000 1.412 487 I CB 0.645 38.526 38.000 -0.199 0.000 1.396 487 I HN 0.668 nan 8.210 nan 0.000 0.543 488 L N 4.426 125.403 121.223 -0.409 0.000 2.262 488 L HA 0.126 4.457 4.340 -0.015 0.000 0.197 488 L C 0.515 177.094 176.870 -0.485 0.000 1.073 488 L CA 0.740 55.185 54.840 -0.657 0.000 0.800 488 L CB 0.011 41.528 42.059 -0.904 0.000 0.987 488 L HN 0.524 nan 8.230 nan 0.000 0.470 489 E N -0.486 119.546 120.200 -0.280 0.000 2.260 489 E HA 0.132 4.473 4.350 -0.015 0.000 0.266 489 E C -0.321 176.202 176.600 -0.128 0.000 0.887 489 E CA -0.104 56.220 56.400 -0.127 0.000 0.777 489 E CB 1.837 31.546 29.700 0.014 0.000 1.205 489 E HN 0.158 nan 8.360 nan 0.000 0.414 490 E N 3.223 123.357 120.200 -0.110 0.000 2.473 490 E HA 0.167 4.508 4.350 -0.015 0.000 0.204 490 E C -0.603 175.937 176.600 -0.099 0.000 0.994 490 E CA 0.180 56.511 56.400 -0.116 0.000 0.945 490 E CB 0.016 29.650 29.700 -0.110 0.000 0.990 490 E HN 0.776 nan 8.360 nan 0.000 0.493 491 N N 1.083 119.747 118.700 -0.060 0.000 2.671 491 N HA -0.195 4.536 4.740 -0.015 0.000 0.261 491 N C -0.039 175.451 175.510 -0.034 0.000 1.053 491 N CA 0.533 53.565 53.050 -0.031 0.000 0.732 491 N CB -0.286 38.180 38.487 -0.034 0.000 0.887 491 N HN 0.162 nan 8.380 nan 0.000 0.546 492 K N 0.602 120.986 120.400 -0.027 0.000 2.062 492 K HA -0.071 4.241 4.320 -0.015 0.000 0.205 492 K C 1.501 178.102 176.600 0.002 0.000 1.051 492 K CA 1.063 57.337 56.287 -0.023 0.000 0.941 492 K CB 0.052 32.536 32.500 -0.027 0.000 0.719 492 K HN 0.438 nan 8.250 nan 0.000 0.440 493 E N 0.777 120.987 120.200 0.018 0.000 2.023 493 E HA -0.227 4.115 4.350 -0.015 0.000 0.196 493 E C 2.019 178.661 176.600 0.071 0.000 1.003 493 E CA 1.251 57.675 56.400 0.040 0.000 0.809 493 E CB -0.257 29.468 29.700 0.042 0.000 0.755 493 E HN 0.107 nan 8.360 nan 0.000 0.449 494 L N 1.857 123.132 121.223 0.085 0.000 1.955 494 L HA -0.226 4.105 4.340 -0.015 0.000 0.213 494 L C 2.310 179.231 176.870 0.085 0.000 1.072 494 L CA 1.921 56.842 54.840 0.135 0.000 0.755 494 L CB -0.591 41.552 42.059 0.139 0.000 0.888 494 L HN 0.098 nan 8.230 nan 0.000 0.432 495 E N -0.182 120.028 120.200 0.017 0.000 2.149 495 E HA -0.333 4.008 4.350 -0.015 0.000 0.215 495 E C 1.958 178.565 176.600 0.012 0.000 1.055 495 E CA 2.166 58.559 56.400 -0.012 0.000 0.870 495 E CB -0.295 29.382 29.700 -0.038 0.000 0.764 495 E HN 0.667 nan 8.360 nan 0.000 0.463 496 N N -0.800 117.917 118.700 0.027 0.000 2.333 496 N HA -0.043 4.688 4.740 -0.015 0.000 0.178 496 N C 1.692 177.239 175.510 0.061 0.000 1.018 496 N CA 0.773 53.843 53.050 0.033 0.000 0.882 496 N CB 0.055 38.558 38.487 0.027 0.000 0.984 496 N HN 0.130 nan 8.380 nan 0.000 0.434 497 A N 0.867 123.751 122.820 0.106 0.000 1.968 497 A HA -0.023 4.288 4.320 -0.015 0.000 0.217 497 A C 1.945 179.626 177.584 0.161 0.000 1.169 497 A CA 0.737 52.886 52.037 0.185 0.000 0.638 497 A CB -0.277 18.897 19.000 0.290 0.000 0.812 497 A HN 0.083 nan 8.150 nan 0.000 0.446 498 L N -0.208 121.047 121.223 0.054 0.000 2.465 498 L HA 0.023 4.354 4.340 -0.015 0.000 0.224 498 L C 2.043 178.872 176.870 -0.068 0.000 1.145 498 L CA 1.286 56.056 54.840 -0.117 0.000 0.834 498 L CB -0.492 41.520 42.059 -0.077 0.000 0.944 498 L HN 0.265 nan 8.230 nan 0.000 0.451 499 K N -0.510 119.884 120.400 -0.009 0.000 2.365 499 K HA -0.046 4.265 4.320 -0.015 0.000 0.199 499 K C 0.925 177.524 176.600 -0.002 0.000 1.045 499 K CA 0.616 56.900 56.287 -0.006 0.000 0.962 499 K CB 0.056 32.560 32.500 0.006 0.000 0.759 499 K HN 0.375 nan 8.250 nan 0.000 0.469 500 N N -0.271 118.434 118.700 0.008 0.000 2.236 500 N HA 0.110 4.841 4.740 -0.015 0.000 0.196 500 N C -0.786 174.726 175.510 0.002 0.000 1.114 500 N CA 0.010 53.070 53.050 0.017 0.000 0.859 500 N CB 0.566 39.080 38.487 0.044 0.000 0.982 500 N HN -0.054 nan 8.380 nan 0.000 0.493 501 I N 1.335 121.878 120.570 -0.044 0.000 2.382 501 I HA 0.081 4.242 4.170 -0.015 0.000 0.286 501 I C -0.260 175.808 176.117 -0.081 0.000 1.002 501 I CA -0.657 60.593 61.300 -0.082 0.000 1.135 501 I CB 1.572 39.432 38.000 -0.234 0.000 1.288 501 I HN 0.086 nan 8.210 nan 0.000 0.448 502 Q N 6.342 126.115 119.800 -0.044 0.000 2.664 502 Q HA 0.286 4.617 4.340 -0.015 0.000 0.223 502 Q C -0.627 175.343 176.000 -0.050 0.000 1.298 502 Q CA -0.699 55.082 55.803 -0.036 0.000 0.965 502 Q CB 0.339 29.069 28.738 -0.014 0.000 1.510 502 Q HN 0.327 nan 8.270 nan 0.000 0.567 503 L N 4.030 125.211 121.223 -0.071 0.000 2.483 503 L HA 0.206 4.538 4.340 -0.015 0.000 0.275 503 L C -1.691 175.135 176.870 -0.072 0.000 1.220 503 L CA -1.746 53.045 54.840 -0.083 0.000 0.833 503 L CB -0.279 41.727 42.059 -0.087 0.000 1.102 503 L HN 0.586 nan 8.230 nan 0.000 0.490 504 P HA 0.072 nan 4.420 nan 0.000 0.272 504 P C -1.003 176.236 177.300 -0.102 0.000 1.223 504 P CA -0.575 62.465 63.100 -0.100 0.000 0.784 504 P CB 0.521 32.151 31.700 -0.117 0.000 0.923 505 K N 2.232 122.562 120.400 -0.117 0.000 2.285 505 K HA 0.145 4.456 4.320 -0.015 0.000 0.286 505 K C -0.085 176.435 176.600 -0.132 0.000 1.072 505 K CA -0.227 55.994 56.287 -0.110 0.000 0.913 505 K CB 0.262 32.699 32.500 -0.105 0.000 1.067 505 K HN 0.330 nan 8.250 nan 0.000 0.479 506 E N 3.743 123.883 120.200 -0.099 0.000 2.301 506 E HA 0.084 4.425 4.350 -0.015 0.000 0.275 506 E C -0.821 175.734 176.600 -0.075 0.000 1.030 506 E CA -0.471 55.876 56.400 -0.088 0.000 0.852 506 E CB 1.269 30.928 29.700 -0.070 0.000 1.060 506 E HN 0.651 nan 8.360 nan 0.000 0.401 507 E N 2.254 122.411 120.200 -0.072 0.000 2.292 507 E HA 0.481 4.822 4.350 -0.015 0.000 0.272 507 E C -1.066 175.502 176.600 -0.054 0.000 0.881 507 E CA -0.711 55.656 56.400 -0.054 0.000 0.754 507 E CB 1.308 30.975 29.700 -0.056 0.000 1.201 507 E HN 0.280 nan 8.360 nan 0.000 0.425 508 I N 2.540 123.096 120.570 -0.023 0.000 2.339 508 I HA 0.403 4.564 4.170 -0.015 0.000 0.290 508 I C -0.197 175.952 176.117 0.052 0.000 0.994 508 I CA -0.267 61.047 61.300 0.023 0.000 1.191 508 I CB 1.165 39.227 38.000 0.104 0.000 1.343 508 I HN 0.530 nan 8.210 nan 0.000 0.458 509 K N 5.063 125.312 120.400 -0.252 0.000 2.367 509 K HA 0.600 4.912 4.320 -0.015 0.000 0.272 509 K C -1.229 175.027 176.600 -0.573 0.000 1.046 509 K CA -1.035 55.028 56.287 -0.374 0.000 0.895 509 K CB 1.699 33.891 32.500 -0.515 0.000 1.512 509 K HN 0.363 nan 8.250 nan 0.000 0.433 510 K N 1.350 121.419 120.400 -0.552 0.000 2.477 510 K HA 0.527 4.838 4.320 -0.015 0.000 0.255 510 K C -1.637 174.887 176.600 -0.126 0.000 0.952 510 K CA -0.615 55.280 56.287 -0.653 0.000 0.826 510 K CB 1.351 32.926 32.500 -1.542 0.000 1.331 510 K HN 0.548 nan 8.250 nan 0.000 0.437 511 L N 1.741 122.910 121.223 -0.090 0.000 2.410 511 L HA 0.416 4.747 4.340 -0.015 0.000 0.270 511 L C -0.878 175.932 176.870 -0.100 0.000 0.983 511 L CA -0.947 53.871 54.840 -0.038 0.000 0.822 511 L CB 2.266 44.311 42.059 -0.023 0.000 1.285 511 L HN 0.688 nan 8.230 nan 0.000 0.409 512 E N 1.150 121.299 120.200 -0.085 0.000 2.156 512 E HA 0.391 4.733 4.350 -0.015 0.000 0.279 512 E C -0.056 176.507 176.600 -0.061 0.000 0.965 512 E CA -0.211 56.146 56.400 -0.072 0.000 0.789 512 E CB 2.375 32.039 29.700 -0.061 0.000 1.098 512 E HN 0.331 nan 8.360 nan 0.000 0.397 513 V N 2.908 122.787 119.914 -0.059 0.000 2.870 513 V HA 0.104 4.215 4.120 -0.015 0.000 0.232 513 V C 0.229 176.293 176.094 -0.049 0.000 1.161 513 V CA 0.844 63.108 62.300 -0.060 0.000 1.204 513 V CB 0.175 31.955 31.823 -0.071 0.000 1.003 513 V HN 0.559 nan 8.190 nan 0.000 0.499 514 D N -0.782 119.589 120.400 -0.048 0.000 3.059 514 D HA 0.150 4.781 4.640 -0.015 0.000 0.231 514 D C 1.198 177.475 176.300 -0.038 0.000 1.331 514 D CA -0.055 53.920 54.000 -0.042 0.000 1.288 514 D CB 0.433 41.205 40.800 -0.047 0.000 0.922 514 D HN 0.093 nan 8.370 nan 0.000 0.197 515 E N -0.023 120.151 120.200 -0.042 0.000 2.501 515 E HA 0.249 4.590 4.350 -0.015 0.000 0.200 515 E C -0.400 176.179 176.600 -0.034 0.000 1.016 515 E CA 0.027 56.406 56.400 -0.035 0.000 0.921 515 E CB 1.113 30.790 29.700 -0.038 0.000 1.034 515 E HN 0.302 nan 8.360 nan 0.000 0.468 516 I N 0.938 121.484 120.570 -0.040 0.000 2.406 516 I HA 0.101 4.262 4.170 -0.015 0.000 0.290 516 I C 0.228 176.331 176.117 -0.024 0.000 0.999 516 I CA -0.506 60.773 61.300 -0.034 0.000 1.124 516 I CB 2.060 40.026 38.000 -0.055 0.000 1.289 516 I HN -0.247 nan 8.210 nan 0.000 0.441 517 T N 6.572 121.126 114.554 -0.001 0.000 2.829 517 T HA 0.636 4.978 4.350 -0.015 0.000 0.282 517 T C -0.818 173.886 174.700 0.006 0.000 0.990 517 T CA -0.562 61.521 62.100 -0.029 0.000 1.028 517 T CB 0.702 69.539 68.868 -0.053 0.000 0.951 517 T HN 0.212 nan 8.240 nan 0.000 0.460 518 L N 5.073 126.271 121.223 -0.041 0.000 2.316 518 L HA 0.507 4.838 4.340 -0.015 0.000 0.280 518 L C -0.704 176.212 176.870 0.076 0.000 1.006 518 L CA -1.068 53.813 54.840 0.068 0.000 0.836 518 L CB 0.861 42.955 42.059 0.057 0.000 1.221 518 L HN 0.800 nan 8.230 nan 0.000 0.418 519 W N 4.966 126.389 121.300 0.206 0.000 2.315 519 W HA 0.465 5.096 4.660 -0.048 0.000 0.316 519 W C -0.221 176.482 176.519 0.307 0.000 1.211 519 W CA -0.046 57.426 57.345 0.212 0.000 1.201 519 W CB 0.760 30.317 29.460 0.162 0.000 1.184 519 W HN 0.474 nan 8.180 nan 0.000 0.544 520 Y N 0.981 121.529 120.300 0.413 0.000 2.457 520 Y HA 0.572 5.117 4.550 -0.008 0.000 0.343 520 Y C -0.892 175.173 175.900 0.276 0.000 0.994 520 Y CA -2.250 56.054 58.100 0.340 0.000 1.031 520 Y CB 0.976 39.675 38.460 0.399 0.000 1.246 520 Y HN 0.381 nan 8.280 nan 0.000 0.449 521 K N 4.764 125.339 120.400 0.292 0.000 2.201 521 K HA 0.571 4.882 4.320 -0.015 0.000 0.278 521 K C -1.231 175.483 176.600 0.190 0.000 1.027 521 K CA -0.649 55.731 56.287 0.154 0.000 0.909 521 K CB 1.114 33.684 32.500 0.117 0.000 1.062 521 K HN 0.987 nan 8.250 nan 0.000 0.465 522 M N 6.813 126.473 119.600 0.099 0.000 2.190 522 M HA 0.419 4.891 4.480 -0.015 0.000 0.312 522 M C -1.448 174.794 176.300 -0.097 0.000 0.990 522 M CA -0.657 54.647 55.300 0.006 0.000 0.927 522 M CB 0.901 33.512 32.600 0.020 0.000 1.571 522 M HN 0.542 nan 8.290 nan 0.000 0.427 523 I N 6.376 126.875 120.570 -0.120 0.000 2.353 523 I HA 0.431 4.592 4.170 -0.015 0.000 0.293 523 I C -1.031 174.934 176.117 -0.254 0.000 0.992 523 I CA -0.680 60.527 61.300 -0.156 0.000 1.268 523 I CB 1.079 39.017 38.000 -0.105 0.000 1.387 523 I HN 0.737 nan 8.210 nan 0.000 0.478 524 L N 7.123 128.161 121.223 -0.310 0.000 2.401 524 L HA 0.507 4.839 4.340 -0.015 0.000 0.266 524 L C -2.572 174.120 176.870 -0.298 0.000 0.991 524 L CA -1.899 52.664 54.840 -0.461 0.000 0.818 524 L CB 2.417 44.021 42.059 -0.758 0.000 1.321 524 L HN 0.303 nan 8.230 nan 0.000 0.413 525 P HA 0.165 nan 4.420 nan 0.000 0.271 525 P C -2.533 174.732 177.300 -0.058 0.000 1.216 525 P CA -1.182 61.837 63.100 -0.135 0.000 0.776 525 P CB -0.127 31.514 31.700 -0.098 0.000 0.881 526 P HA -0.011 nan 4.420 nan 0.000 0.264 526 P C -0.346 176.974 177.300 0.034 0.000 1.183 526 P CA 0.658 63.757 63.100 -0.002 0.000 0.763 526 P CB -0.024 31.672 31.700 -0.006 0.000 0.807 527 Q N 0.009 119.834 119.800 0.041 0.000 2.478 527 Q HA -0.228 4.103 4.340 -0.015 0.000 0.286 527 Q C -0.371 175.681 176.000 0.085 0.000 1.299 527 Q CA 0.244 56.077 55.803 0.049 0.000 0.826 527 Q CB -2.582 26.180 28.738 0.040 0.000 1.199 527 Q HN 0.482 nan 8.270 nan 0.000 0.451 528 F N 1.475 121.371 119.950 -0.090 0.000 2.574 528 F HA 0.151 4.669 4.527 -0.016 0.000 0.332 528 F C 0.307 176.087 175.800 -0.032 0.000 1.289 528 F CA -0.545 57.348 58.000 -0.179 0.000 1.029 528 F CB 0.038 38.809 39.000 -0.380 0.000 1.346 528 F HN 0.075 nan 8.300 nan 0.000 0.647 529 D N 4.158 124.437 120.400 -0.201 0.000 2.367 529 D HA 0.015 4.646 4.640 -0.015 0.000 0.255 529 D C 1.583 177.596 176.300 -0.479 0.000 1.300 529 D CA 0.027 53.864 54.000 -0.272 0.000 0.959 529 D CB 0.563 41.310 40.800 -0.088 0.000 1.064 529 D HN 0.655 nan 8.370 nan 0.000 0.509 530 R N 2.109 122.142 120.500 -0.777 0.000 2.170 530 R HA -0.183 4.149 4.340 -0.015 0.000 0.242 530 R C 1.474 177.687 176.300 -0.145 0.000 1.145 530 R CA 2.053 57.748 56.100 -0.674 0.000 0.984 530 R CB -0.482 29.554 30.300 -0.440 0.000 0.869 530 R HN 0.329 nan 8.270 nan 0.000 0.455 531 S N -1.361 114.268 115.700 -0.119 0.000 2.603 531 S HA 0.032 4.493 4.470 -0.015 0.000 0.229 531 S C 0.532 175.105 174.600 -0.045 0.000 0.972 531 S CA -0.040 58.134 58.200 -0.043 0.000 0.935 531 S CB -0.111 63.060 63.200 -0.049 0.000 0.769 531 S HN 0.381 nan 8.310 nan 0.000 0.536 532 K N 0.667 121.022 120.400 -0.075 0.000 2.221 532 K HA 0.494 4.806 4.320 -0.015 0.000 0.243 532 K C -1.268 175.267 176.600 -0.109 0.000 0.968 532 K CA -0.784 55.407 56.287 -0.161 0.000 0.846 532 K CB 1.010 33.307 32.500 -0.338 0.000 1.141 532 K HN -0.082 nan 8.250 nan 0.000 0.434 533 K N 2.329 122.634 120.400 -0.159 0.000 2.281 533 K HA 0.243 4.554 4.320 -0.015 0.000 0.272 533 K C -1.401 175.116 176.600 -0.137 0.000 1.048 533 K CA -0.276 55.990 56.287 -0.035 0.000 0.898 533 K CB 0.548 33.035 32.500 -0.023 0.000 1.128 533 K HN 0.307 nan 8.250 nan 0.000 0.460 534 Y N 3.643 124.003 120.300 0.101 0.000 2.320 534 Y HA 0.283 4.825 4.550 -0.013 0.000 0.324 534 Y C -1.786 174.071 175.900 -0.072 0.000 1.190 534 Y CA -2.612 55.510 58.100 0.037 0.000 1.215 534 Y CB 0.492 39.028 38.460 0.127 0.000 1.221 534 Y HN 0.514 nan 8.280 nan 0.000 0.486 535 P HA 0.059 nan 4.420 nan 0.000 0.269 535 P C -1.011 176.140 177.300 -0.248 0.000 1.209 535 P CA -0.117 62.705 63.100 -0.463 0.000 0.776 535 P CB 1.127 32.113 31.700 -1.190 0.000 0.876 536 L N 3.884 125.022 121.223 -0.142 0.000 2.329 536 L HA 0.618 4.950 4.340 -0.015 0.000 0.279 536 L C -1.253 175.788 176.870 0.284 0.000 1.014 536 L CA -0.914 53.975 54.840 0.082 0.000 0.814 536 L CB 1.506 43.640 42.059 0.125 0.000 1.257 536 L HN 0.173 nan 8.230 nan 0.000 0.424 537 L N 5.677 127.076 121.223 0.293 0.000 2.322 537 L HA 0.620 4.951 4.340 -0.015 0.000 0.281 537 L C -1.179 175.874 176.870 0.305 0.000 1.014 537 L CA -0.266 54.797 54.840 0.371 0.000 0.815 537 L CB 1.382 43.646 42.059 0.342 0.000 1.247 537 L HN 0.493 nan 8.230 nan 0.000 0.421 538 I N 4.406 125.177 120.570 0.335 0.000 2.336 538 I HA 0.322 4.483 4.170 -0.015 0.000 0.292 538 I C -0.049 176.208 176.117 0.233 0.000 0.991 538 I CA -0.169 61.301 61.300 0.283 0.000 1.227 538 I CB 1.399 39.582 38.000 0.306 0.000 1.366 538 I HN 0.739 nan 8.210 nan 0.000 0.466 539 Q N 5.941 125.858 119.800 0.194 0.000 2.331 539 Q HA 0.516 4.847 4.340 -0.015 0.000 0.257 539 Q C -1.466 174.528 176.000 -0.009 0.000 0.957 539 Q CA -0.275 55.541 55.803 0.022 0.000 0.923 539 Q CB 1.975 30.813 28.738 0.166 0.000 1.212 539 Q HN 0.571 nan 8.270 nan 0.000 0.443 540 V N 4.878 124.723 119.914 -0.115 0.000 2.815 540 V HA 0.421 4.532 4.120 -0.015 0.000 0.314 540 V C -1.392 174.742 176.094 0.067 0.000 1.064 540 V CA -0.210 62.101 62.300 0.018 0.000 0.952 540 V CB 1.797 33.641 31.823 0.035 0.000 1.020 540 V HN 1.006 nan 8.190 nan 0.000 0.439 541 Y N 3.594 123.916 120.300 0.036 0.000 3.266 541 Y HA 0.506 5.046 4.550 -0.016 0.000 0.189 541 Y C 1.615 177.628 175.900 0.190 0.000 0.895 541 Y CA 1.143 59.301 58.100 0.096 0.000 1.706 541 Y CB 0.259 38.746 38.460 0.045 0.000 1.449 541 Y HN 1.023 nan 8.280 nan 0.000 0.391 542 G N 1.007 109.876 108.800 0.115 0.000 2.155 542 G HA2 -0.234 3.718 3.960 -0.015 0.000 0.257 542 G HA3 -0.234 3.718 3.960 -0.015 0.000 0.257 542 G C 0.625 175.273 174.900 -0.420 0.000 0.983 542 G CA 0.349 45.442 45.100 -0.012 0.000 0.676 542 G HN 0.950 nan 8.290 nan 0.000 0.528 543 G N 0.277 108.631 108.800 -0.743 0.000 2.432 543 G HA2 0.481 4.432 3.960 -0.015 0.000 0.239 543 G HA3 0.481 4.432 3.960 -0.015 0.000 0.239 543 G C -1.717 172.856 174.900 -0.546 0.000 1.291 543 G CA -0.530 43.910 45.100 -1.100 0.000 0.863 543 G HN 0.202 nan 8.290 nan 0.000 0.560 544 P HA 0.068 nan 4.420 nan 0.000 0.258 544 P C 0.575 177.692 177.300 -0.306 0.000 1.172 544 P CA 0.165 62.853 63.100 -0.686 0.000 0.762 544 P CB 0.228 30.778 31.700 -1.917 0.000 0.764 545 C N 1.518 120.768 119.300 -0.083 0.000 5.102 545 C HA -0.160 4.291 4.460 -0.015 0.000 0.236 545 C C 1.244 176.185 174.990 -0.081 0.000 1.316 545 C CA 0.781 59.798 59.018 -0.001 0.000 1.394 545 C CB -3.041 24.886 27.740 0.313 0.000 1.902 545 C HN 0.739 nan 8.230 nan 0.000 0.644 546 S N 0.410 116.093 115.700 -0.028 0.000 2.655 546 S HA 0.585 5.046 4.470 -0.015 0.000 0.265 546 S C -0.625 174.025 174.600 0.083 0.000 1.240 546 S CA 0.247 58.486 58.200 0.065 0.000 0.986 546 S CB 1.717 65.058 63.200 0.236 0.000 0.985 546 S HN 0.850 nan 8.310 nan 0.000 0.562 547 Q N -0.071 119.849 119.800 0.200 0.000 2.280 547 Q HA 0.462 4.793 4.340 -0.015 0.000 0.259 547 Q C -1.099 175.013 176.000 0.187 0.000 0.964 547 Q CA -0.564 55.389 55.803 0.251 0.000 0.844 547 Q CB 1.617 30.643 28.738 0.480 0.000 1.334 547 Q HN 0.695 nan 8.270 nan 0.000 0.423 548 S N 1.948 117.750 115.700 0.170 0.000 2.526 548 S HA 0.168 4.629 4.470 -0.015 0.000 0.220 548 S C 0.024 174.700 174.600 0.126 0.000 1.017 548 S CA -0.054 58.221 58.200 0.124 0.000 0.930 548 S CB 0.843 64.131 63.200 0.147 0.000 0.856 548 S HN 0.486 nan 8.310 nan 0.000 0.497 549 V N 3.337 123.349 119.914 0.164 0.000 2.320 549 V HA 0.488 4.599 4.120 -0.015 0.000 0.265 549 V C -0.022 176.141 176.094 0.115 0.000 1.048 549 V CA -0.271 62.125 62.300 0.159 0.000 0.865 549 V CB 0.217 32.184 31.823 0.239 0.000 1.043 549 V HN 0.198 nan 8.190 nan 0.000 0.474 550 R N 2.320 122.856 120.500 0.061 0.000 2.725 550 R HA 0.445 4.776 4.340 -0.015 0.000 0.277 550 R C 0.229 176.524 176.300 -0.008 0.000 0.987 550 R CA -0.526 55.596 56.100 0.037 0.000 0.901 550 R CB 2.012 32.263 30.300 -0.083 0.000 1.207 550 R HN 0.491 nan 8.270 nan 0.000 0.463 551 S N 1.289 117.031 115.700 0.071 0.000 3.544 551 S HA 0.088 4.549 4.470 -0.015 0.000 0.227 551 S C -0.118 174.470 174.600 -0.020 0.000 1.387 551 S CA -0.124 58.102 58.200 0.045 0.000 1.182 551 S CB -0.326 62.922 63.200 0.080 0.000 1.243 551 S HN 0.194 nan 8.310 nan 0.000 0.467 552 V N 1.793 121.613 119.914 -0.157 0.000 2.617 552 V HA 0.480 4.591 4.120 -0.015 0.000 0.298 552 V C -0.324 175.759 176.094 -0.019 0.000 1.048 552 V CA -0.961 61.223 62.300 -0.192 0.000 0.964 552 V CB 1.558 33.156 31.823 -0.375 0.000 1.004 552 V HN 0.551 nan 8.190 nan 0.000 0.466 553 F N 4.477 124.354 119.950 -0.122 0.000 2.410 553 F HA 0.728 5.245 4.527 -0.017 0.000 0.349 553 F C 0.113 175.923 175.800 0.016 0.000 1.117 553 F CA -0.220 57.728 58.000 -0.086 0.000 1.104 553 F CB 0.931 39.834 39.000 -0.162 0.000 1.122 553 F HN 0.530 nan 8.300 nan 0.000 0.483 554 A N 5.707 128.227 122.820 -0.501 0.000 2.485 554 A HA 0.520 4.832 4.320 -0.015 0.000 0.285 554 A C -1.783 175.561 177.584 -0.401 0.000 1.045 554 A CA -0.651 51.239 52.037 -0.244 0.000 0.792 554 A CB 0.597 19.596 19.000 -0.003 0.000 1.307 554 A HN 0.533 nan 8.150 nan 0.000 0.406 555 V N 5.008 124.717 119.914 -0.342 0.000 2.387 555 V HA 0.258 4.370 4.120 -0.015 0.000 0.260 555 V C 0.519 176.621 176.094 0.013 0.000 1.054 555 V CA 0.631 62.842 62.300 -0.149 0.000 0.967 555 V CB -0.637 31.188 31.823 0.004 0.000 1.036 555 V HN 1.020 nan 8.190 nan 0.000 0.481 556 N N 2.014 120.727 118.700 0.022 0.000 3.439 556 N HA 0.276 5.007 4.740 -0.015 0.000 0.343 556 N C 0.627 176.231 175.510 0.157 0.000 1.597 556 N CA -0.909 52.187 53.050 0.077 0.000 0.733 556 N CB 0.828 39.362 38.487 0.077 0.000 1.973 556 N HN 0.346 nan 8.380 nan 0.000 0.646 557 W N 1.607 122.878 121.300 -0.049 0.000 2.332 557 W HA -0.089 4.563 4.660 -0.014 0.000 0.321 557 W C 1.927 178.557 176.519 0.184 0.000 1.219 557 W CA 2.029 59.383 57.345 0.016 0.000 1.277 557 W CB -0.651 28.723 29.460 -0.144 0.000 1.161 557 W HN 0.587 nan 8.180 nan 0.000 0.476 558 I N -0.236 120.374 120.570 0.066 0.000 2.830 558 I HA -0.112 4.049 4.170 -0.015 0.000 0.263 558 I C 2.003 178.066 176.117 -0.089 0.000 1.230 558 I CA 1.826 63.044 61.300 -0.136 0.000 1.480 558 I CB -1.075 36.981 38.000 0.093 0.000 1.095 558 I HN -0.136 nan 8.210 nan 0.000 0.455 559 S N 1.043 116.735 115.700 -0.013 0.000 2.356 559 S HA -0.232 4.230 4.470 -0.015 0.000 0.223 559 S C 1.984 176.568 174.600 -0.026 0.000 1.032 559 S CA 1.614 59.793 58.200 -0.035 0.000 1.005 559 S CB -1.008 62.171 63.200 -0.036 0.000 0.867 559 S HN 0.748 nan 8.310 nan 0.000 0.449 560 Y N 2.748 122.991 120.300 -0.096 0.000 2.242 560 Y HA 0.032 4.573 4.550 -0.015 0.000 0.291 560 Y C 1.807 177.643 175.900 -0.107 0.000 1.137 560 Y CA 0.901 58.961 58.100 -0.066 0.000 1.181 560 Y CB -0.588 37.874 38.460 0.004 0.000 0.989 560 Y HN 0.104 nan 8.280 nan 0.000 0.527 561 L N 0.394 121.233 121.223 -0.640 0.000 2.127 561 L HA -0.215 4.116 4.340 -0.015 0.000 0.211 561 L C 2.795 179.448 176.870 -0.361 0.000 1.089 561 L CA 1.242 55.686 54.840 -0.659 0.000 0.757 561 L CB -0.905 40.807 42.059 -0.578 0.000 0.899 561 L HN 0.456 nan 8.230 nan 0.000 0.434 562 A N -1.215 121.454 122.820 -0.252 0.000 1.930 562 A HA -0.145 4.166 4.320 -0.015 0.000 0.215 562 A C 2.515 180.014 177.584 -0.141 0.000 1.176 562 A CA 1.508 53.442 52.037 -0.172 0.000 0.632 562 A CB -0.412 18.491 19.000 -0.161 0.000 0.819 562 A HN 0.330 nan 8.150 nan 0.000 0.445 563 S N -0.555 115.063 115.700 -0.136 0.000 2.345 563 S HA -0.170 4.291 4.470 -0.015 0.000 0.220 563 S C 2.056 176.620 174.600 -0.061 0.000 1.031 563 S CA 2.057 60.214 58.200 -0.073 0.000 0.996 563 S CB -0.168 63.021 63.200 -0.018 0.000 0.882 563 S HN 0.572 nan 8.310 nan 0.000 0.445 564 K N -0.257 120.072 120.400 -0.117 0.000 2.287 564 K HA 0.214 4.525 4.320 -0.015 0.000 0.199 564 K C 1.584 178.127 176.600 -0.095 0.000 1.061 564 K CA 0.538 56.783 56.287 -0.071 0.000 0.976 564 K CB 0.141 32.637 32.500 -0.007 0.000 0.898 564 K HN 0.133 nan 8.250 nan 0.000 0.492 565 E N -0.204 119.875 120.200 -0.201 0.000 2.479 565 E HA 0.107 4.448 4.350 -0.015 0.000 0.193 565 E C 0.753 177.343 176.600 -0.016 0.000 1.049 565 E CA 0.731 57.059 56.400 -0.120 0.000 0.870 565 E CB 0.807 30.387 29.700 -0.201 0.000 0.944 565 E HN 0.527 nan 8.360 nan 0.000 0.492 566 G N 1.896 110.692 108.800 -0.007 0.000 2.155 566 G HA2 -0.325 3.626 3.960 -0.015 0.000 0.257 566 G HA3 -0.325 3.626 3.960 -0.015 0.000 0.257 566 G C 0.312 175.288 174.900 0.127 0.000 0.983 566 G CA 0.724 45.882 45.100 0.096 0.000 0.676 566 G HN 0.204 nan 8.290 nan 0.000 0.528 567 M N 0.181 119.802 119.600 0.035 0.000 2.274 567 M HA 0.549 5.020 4.480 -0.015 0.000 0.344 567 M C 0.575 176.853 176.300 -0.037 0.000 1.161 567 M CA -0.693 54.627 55.300 0.034 0.000 1.126 567 M CB 1.856 34.516 32.600 0.100 0.000 1.522 567 M HN -0.120 nan 8.290 nan 0.000 0.461 568 V N 3.722 123.617 119.914 -0.032 0.000 2.498 568 V HA 0.291 4.402 4.120 -0.015 0.000 0.279 568 V C -0.215 175.849 176.094 -0.049 0.000 1.048 568 V CA -0.285 61.949 62.300 -0.111 0.000 0.967 568 V CB 1.132 32.907 31.823 -0.080 0.000 0.988 568 V HN 0.561 nan 8.190 nan 0.000 0.473 569 I N 4.495 125.018 120.570 -0.078 0.000 2.441 569 I HA 0.761 4.922 4.170 -0.015 0.000 0.295 569 I C 0.244 176.351 176.117 -0.017 0.000 0.994 569 I CA 0.116 61.414 61.300 -0.004 0.000 1.144 569 I CB 1.849 39.850 38.000 0.001 0.000 1.314 569 I HN 0.692 nan 8.210 nan 0.000 0.445 570 A N 6.068 128.917 122.820 0.048 0.000 2.454 570 A HA 0.983 5.295 4.320 -0.015 0.000 0.302 570 A C -1.642 176.054 177.584 0.187 0.000 1.079 570 A CA -0.489 51.585 52.037 0.061 0.000 0.731 570 A CB 1.299 20.229 19.000 -0.116 0.000 1.299 570 A HN 0.495 nan 8.150 nan 0.000 0.413 571 L N 0.638 122.003 121.223 0.238 0.000 2.436 571 L HA 0.638 4.969 4.340 -0.015 0.000 0.268 571 L C -0.898 176.168 176.870 0.327 0.000 0.974 571 L CA -0.363 54.626 54.840 0.248 0.000 0.826 571 L CB 2.226 44.403 42.059 0.197 0.000 1.291 571 L HN 0.445 nan 8.230 nan 0.000 0.406 572 V N 1.205 121.303 119.914 0.307 0.000 2.531 572 V HA 0.513 4.624 4.120 -0.015 0.000 0.301 572 V C -1.063 175.193 176.094 0.270 0.000 1.034 572 V CA -0.722 61.776 62.300 0.331 0.000 0.865 572 V CB 1.964 33.961 31.823 0.291 0.000 0.995 572 V HN 0.569 nan 8.190 nan 0.000 0.424 573 D N 3.219 123.799 120.400 0.300 0.000 2.232 573 D HA 0.698 5.329 4.640 -0.015 0.000 0.242 573 D C 0.393 176.832 176.300 0.233 0.000 1.093 573 D CA 0.357 54.511 54.000 0.257 0.000 0.845 573 D CB 2.340 43.309 40.800 0.281 0.000 1.124 573 D HN 0.757 nan 8.370 nan 0.000 0.467 574 G N 1.464 110.366 108.800 0.170 0.000 3.214 574 G HA2 0.309 4.261 3.960 -0.015 0.000 0.188 574 G HA3 0.309 4.261 3.960 -0.015 0.000 0.188 574 G C -0.486 174.472 174.900 0.097 0.000 1.126 574 G CA -0.710 44.469 45.100 0.131 0.000 0.796 574 G HN 0.307 nan 8.290 nan 0.000 0.631 575 R N -0.019 120.529 120.500 0.080 0.000 2.489 575 R HA 0.409 4.740 4.340 -0.015 0.000 0.287 575 R C 1.151 177.500 176.300 0.083 0.000 1.053 575 R CA 1.360 57.497 56.100 0.062 0.000 1.036 575 R CB 0.687 31.014 30.300 0.044 0.000 0.966 575 R HN 1.242 nan 8.270 nan 0.000 0.432 576 G N 1.673 110.503 108.800 0.050 0.000 2.234 576 G HA2 -0.285 3.667 3.960 -0.015 0.000 0.235 576 G HA3 -0.285 3.667 3.960 -0.015 0.000 0.235 576 G C 0.465 175.349 174.900 -0.027 0.000 0.997 576 G CA 0.198 45.321 45.100 0.039 0.000 0.623 576 G HN 0.608 nan 8.290 nan 0.000 0.514 577 T N 1.395 115.941 114.554 -0.013 0.000 2.918 577 T HA 0.614 4.955 4.350 -0.015 0.000 0.302 577 T C 0.855 175.480 174.700 -0.124 0.000 1.045 577 T CA 0.971 63.055 62.100 -0.027 0.000 1.114 577 T CB 0.857 69.765 68.868 0.066 0.000 0.965 577 T HN 1.304 nan 8.240 nan 0.000 0.540 578 A N 2.337 124.978 122.820 -0.300 0.000 2.326 578 A HA 0.775 5.086 4.320 -0.015 0.000 0.303 578 A C 0.189 177.457 177.584 -0.527 0.000 1.164 578 A CA -0.708 50.949 52.037 -0.633 0.000 0.929 578 A CB -0.000 18.319 19.000 -1.135 0.000 1.363 578 A HN 1.062 nan 8.150 nan 0.000 0.498 579 F N -2.715 117.249 119.950 0.023 0.000 2.840 579 F HA -0.229 4.288 4.527 -0.017 0.000 0.310 579 F C 0.987 176.828 175.800 0.069 0.000 0.688 579 F CA 1.089 59.116 58.000 0.046 0.000 1.286 579 F CB -1.644 37.397 39.000 0.069 0.000 1.612 579 F HN 0.618 nan 8.300 nan 0.000 0.335 580 Q N 0.501 120.376 119.800 0.126 0.000 2.135 580 Q HA 0.498 4.829 4.340 -0.015 0.000 0.222 580 Q C 0.944 176.983 176.000 0.066 0.000 0.808 580 Q CA 0.235 56.142 55.803 0.173 0.000 1.049 580 Q CB 1.481 30.321 28.738 0.170 0.000 1.168 580 Q HN 0.569 nan 8.270 nan 0.000 0.483 581 G N 0.783 109.514 108.800 -0.115 0.000 2.661 581 G HA2 -0.190 3.761 3.960 -0.015 0.000 0.685 581 G HA3 -0.190 3.761 3.960 -0.015 0.000 0.685 581 G C -0.477 174.106 174.900 -0.528 0.000 1.298 581 G CA -0.456 44.342 45.100 -0.504 0.000 0.855 581 G HN 0.127 nan 8.290 nan 0.000 0.560 582 D N -0.135 119.889 120.400 -0.628 0.000 2.137 582 D HA -0.010 4.621 4.640 -0.015 0.000 0.202 582 D C 2.309 178.293 176.300 -0.527 0.000 0.970 582 D CA 1.165 54.722 54.000 -0.738 0.000 0.837 582 D CB -0.086 40.329 40.800 -0.642 0.000 0.981 582 D HN 0.487 nan 8.370 nan 0.000 0.475 583 K N 0.269 120.460 120.400 -0.349 0.000 2.034 583 K HA -0.203 4.109 4.320 -0.015 0.000 0.214 583 K C 2.105 178.593 176.600 -0.187 0.000 1.051 583 K CA 1.014 57.175 56.287 -0.210 0.000 0.931 583 K CB -0.375 32.025 32.500 -0.165 0.000 0.715 583 K HN 0.076 nan 8.250 nan 0.000 0.446 584 L N 1.027 122.133 121.223 -0.195 0.000 2.093 584 L HA -0.140 4.191 4.340 -0.015 0.000 0.208 584 L C 2.127 178.907 176.870 -0.149 0.000 1.085 584 L CA 1.091 55.853 54.840 -0.129 0.000 0.755 584 L CB -0.355 41.663 42.059 -0.067 0.000 0.904 584 L HN 0.168 nan 8.230 nan 0.000 0.435 585 L N -1.005 120.039 121.223 -0.298 0.000 1.973 585 L HA -0.173 4.159 4.340 -0.015 0.000 0.208 585 L C 1.883 178.636 176.870 -0.195 0.000 1.073 585 L CA 1.841 56.479 54.840 -0.337 0.000 0.746 585 L CB -1.089 40.553 42.059 -0.696 0.000 0.891 585 L HN 0.266 nan 8.230 nan 0.000 0.433 586 Y N 0.355 120.445 120.300 -0.350 0.000 2.553 586 Y HA 0.228 4.771 4.550 -0.012 0.000 0.303 586 Y C 2.302 178.174 175.900 -0.047 0.000 1.194 586 Y CA -0.064 57.799 58.100 -0.394 0.000 1.305 586 Y CB -1.840 36.272 38.460 -0.579 0.000 1.045 586 Y HN 0.308 nan 8.280 nan 0.000 0.514 587 A N 0.210 123.096 122.820 0.109 0.000 1.978 587 A HA -0.159 4.152 4.320 -0.015 0.000 0.220 587 A C 2.154 179.929 177.584 0.319 0.000 1.170 587 A CA 2.123 54.235 52.037 0.125 0.000 0.636 587 A CB -0.997 17.999 19.000 -0.006 0.000 0.810 587 A HN 0.325 nan 8.150 nan 0.000 0.448 588 V N -4.712 115.415 119.914 0.354 0.000 3.649 588 V HA 0.182 4.294 4.120 -0.015 0.000 0.275 588 V C 0.909 177.200 176.094 0.330 0.000 1.281 588 V CA -0.416 62.094 62.300 0.350 0.000 1.143 588 V CB -1.693 30.282 31.823 0.254 0.000 0.892 588 V HN 0.435 nan 8.190 nan 0.000 0.441 589 Y N 2.743 123.216 120.300 0.287 0.000 2.865 589 Y HA 0.091 4.632 4.550 -0.014 0.000 0.338 589 Y C 1.484 177.440 175.900 0.094 0.000 1.269 589 Y CA 0.476 58.751 58.100 0.292 0.000 1.585 589 Y CB 0.019 38.632 38.460 0.255 0.000 1.224 589 Y HN 0.413 nan 8.280 nan 0.000 0.554 590 R N 2.028 122.424 120.500 -0.174 0.000 3.994 590 R HA -0.257 4.074 4.340 -0.015 0.000 0.403 590 R C -0.159 175.936 176.300 -0.341 0.000 1.126 590 R CA 1.598 57.504 56.100 -0.322 0.000 1.143 590 R CB -1.292 28.738 30.300 -0.450 0.000 1.695 590 R HN 0.586 nan 8.270 nan 0.000 0.555 591 K N 0.319 120.545 120.400 -0.290 0.000 3.012 591 K HA 0.224 4.535 4.320 -0.015 0.000 0.207 591 K C -0.714 175.790 176.600 -0.161 0.000 1.130 591 K CA -0.508 55.440 56.287 -0.564 0.000 1.021 591 K CB 0.689 32.950 32.500 -0.398 0.000 0.736 591 K HN -0.135 nan 8.250 nan 0.000 0.448 592 L N 0.874 122.145 121.223 0.080 0.000 2.529 592 L HA 0.095 4.426 4.340 -0.015 0.000 0.287 592 L C 1.348 178.483 176.870 0.442 0.000 1.241 592 L CA 1.622 56.598 54.840 0.226 0.000 0.857 592 L CB 0.014 42.046 42.059 -0.045 0.000 1.113 592 L HN 0.632 nan 8.230 nan 0.000 0.504 593 G N 2.454 111.520 108.800 0.444 0.000 2.305 593 G HA2 -0.184 3.767 3.960 -0.015 0.000 0.287 593 G HA3 -0.184 3.767 3.960 -0.015 0.000 0.287 593 G C 0.481 175.397 174.900 0.026 0.000 1.036 593 G CA 0.371 45.583 45.100 0.185 0.000 0.887 593 G HN 0.535 nan 8.290 nan 0.000 0.505 594 V N -1.765 118.141 119.914 -0.013 0.000 3.134 594 V HA 0.162 4.274 4.120 -0.015 0.000 0.222 594 V C 1.951 177.979 176.094 -0.111 0.000 1.247 594 V CA 1.436 63.641 62.300 -0.159 0.000 1.281 594 V CB -0.715 30.866 31.823 -0.403 0.000 1.169 594 V HN 0.360 nan 8.190 nan 0.000 0.512 595 Y N 1.123 121.463 120.300 0.066 0.000 2.337 595 Y HA -0.117 4.425 4.550 -0.013 0.000 0.293 595 Y C 2.553 178.488 175.900 0.058 0.000 1.123 595 Y CA 1.172 59.302 58.100 0.050 0.000 1.201 595 Y CB -0.056 38.432 38.460 0.047 0.000 1.011 595 Y HN 0.302 nan 8.280 nan 0.000 0.545 596 E N 0.318 120.644 120.200 0.210 0.000 2.070 596 E HA -0.201 4.140 4.350 -0.015 0.000 0.197 596 E C 2.171 178.845 176.600 0.123 0.000 1.004 596 E CA 1.944 58.447 56.400 0.171 0.000 0.805 596 E CB -0.503 29.327 29.700 0.217 0.000 0.744 596 E HN 0.250 nan 8.360 nan 0.000 0.451 597 V N 0.705 120.664 119.914 0.074 0.000 2.270 597 V HA -0.262 3.849 4.120 -0.015 0.000 0.245 597 V C 2.292 178.430 176.094 0.074 0.000 1.043 597 V CA 2.057 64.382 62.300 0.042 0.000 1.014 597 V CB -0.635 31.170 31.823 -0.030 0.000 0.645 597 V HN 0.207 nan 8.190 nan 0.000 0.447 598 E N 0.441 120.693 120.200 0.086 0.000 2.049 598 E HA -0.288 4.053 4.350 -0.015 0.000 0.198 598 E C 1.936 178.579 176.600 0.071 0.000 1.007 598 E CA 1.904 58.357 56.400 0.089 0.000 0.809 598 E CB -0.142 29.657 29.700 0.165 0.000 0.749 598 E HN 0.601 nan 8.360 nan 0.000 0.450 599 D N -0.305 120.152 120.400 0.095 0.000 2.219 599 D HA -0.133 4.498 4.640 -0.015 0.000 0.205 599 D C 1.983 178.315 176.300 0.055 0.000 0.970 599 D CA 0.637 54.676 54.000 0.064 0.000 0.851 599 D CB -0.083 40.769 40.800 0.087 0.000 0.943 599 D HN 0.192 nan 8.370 nan 0.000 0.488 600 Q N 0.272 120.130 119.800 0.097 0.000 2.049 600 Q HA -0.013 4.318 4.340 -0.015 0.000 0.198 600 Q C 2.617 178.683 176.000 0.111 0.000 0.971 600 Q CA 0.452 56.336 55.803 0.135 0.000 0.833 600 Q CB -0.340 28.511 28.738 0.189 0.000 0.896 600 Q HN 0.380 nan 8.270 nan 0.000 0.434 601 I N 0.750 121.379 120.570 0.098 0.000 2.151 601 I HA -0.325 3.836 4.170 -0.015 0.000 0.243 601 I C 2.220 178.277 176.117 -0.100 0.000 1.080 601 I CA 1.529 62.825 61.300 -0.006 0.000 1.339 601 I CB -0.535 37.459 38.000 -0.010 0.000 1.039 601 I HN 0.189 nan 8.210 nan 0.000 0.409 602 T N 0.727 115.228 114.554 -0.089 0.000 2.607 602 T HA -0.269 4.072 4.350 -0.015 0.000 0.267 602 T C 2.088 176.625 174.700 -0.273 0.000 1.049 602 T CA 1.703 63.717 62.100 -0.143 0.000 1.162 602 T CB -0.616 68.192 68.868 -0.100 0.000 0.863 602 T HN 0.505 nan 8.240 nan 0.000 0.424 603 A N 0.993 123.621 122.820 -0.321 0.000 1.892 603 A HA -0.129 4.182 4.320 -0.015 0.000 0.218 603 A C 2.643 179.590 177.584 -1.063 0.000 1.188 603 A CA 1.943 53.550 52.037 -0.716 0.000 0.631 603 A CB -1.254 17.465 19.000 -0.468 0.000 0.822 603 A HN 0.360 nan 8.150 nan 0.000 0.447 604 V N -0.457 119.191 119.914 -0.443 0.000 2.295 604 V HA -0.282 3.829 4.120 -0.015 0.000 0.246 604 V C 2.620 178.574 176.094 -0.234 0.000 1.049 604 V CA 2.355 64.545 62.300 -0.183 0.000 1.024 604 V CB -0.813 30.971 31.823 -0.065 0.000 0.648 604 V HN 0.553 nan 8.190 nan 0.000 0.447 605 R N -0.103 120.242 120.500 -0.258 0.000 2.094 605 R HA -0.242 4.089 4.340 -0.015 0.000 0.239 605 R C 2.441 178.608 176.300 -0.222 0.000 1.137 605 R CA 2.023 57.998 56.100 -0.208 0.000 0.943 605 R CB -0.306 29.885 30.300 -0.180 0.000 0.850 605 R HN 0.276 nan 8.270 nan 0.000 0.433 606 K N -0.564 119.640 120.400 -0.327 0.000 2.147 606 K HA -0.109 4.202 4.320 -0.015 0.000 0.205 606 K C 1.650 178.105 176.600 -0.241 0.000 1.049 606 K CA 1.324 57.426 56.287 -0.309 0.000 0.936 606 K CB -0.117 32.149 32.500 -0.390 0.000 0.722 606 K HN 0.045 nan 8.250 nan 0.000 0.446 607 F N 0.680 120.500 119.950 -0.216 0.000 2.113 607 F HA -0.047 4.468 4.527 -0.019 0.000 0.297 607 F C 1.935 177.541 175.800 -0.324 0.000 1.103 607 F CA 0.784 58.618 58.000 -0.276 0.000 1.248 607 F CB -1.090 37.782 39.000 -0.213 0.000 0.999 607 F HN 0.019 nan 8.300 nan 0.000 0.475 608 I N -1.638 118.901 120.570 -0.051 0.000 2.454 608 I HA -0.198 3.963 4.170 -0.015 0.000 0.254 608 I C 2.061 178.097 176.117 -0.135 0.000 1.156 608 I CA 1.778 63.014 61.300 -0.105 0.000 1.433 608 I CB -0.726 37.225 38.000 -0.081 0.000 1.082 608 I HN 0.202 nan 8.210 nan 0.000 0.432 609 E N 0.887 121.012 120.200 -0.125 0.000 2.285 609 E HA -0.105 4.236 4.350 -0.015 0.000 0.194 609 E C 2.220 178.758 176.600 -0.103 0.000 0.997 609 E CA 0.538 56.877 56.400 -0.102 0.000 0.845 609 E CB -0.014 29.632 29.700 -0.090 0.000 0.782 609 E HN 0.542 nan 8.360 nan 0.000 0.491 610 M N -1.104 118.399 119.600 -0.161 0.000 2.346 610 M HA -0.125 4.346 4.480 -0.015 0.000 0.263 610 M C 1.457 177.651 176.300 -0.177 0.000 1.064 610 M CA 1.573 56.770 55.300 -0.172 0.000 1.083 610 M CB 0.238 32.633 32.600 -0.341 0.000 1.399 610 M HN 0.395 nan 8.290 nan 0.000 0.435 611 G N -0.404 108.256 108.800 -0.234 0.000 2.254 611 G HA2 -0.293 3.659 3.960 -0.015 0.000 0.225 611 G HA3 -0.293 3.659 3.960 -0.015 0.000 0.225 611 G C 0.525 175.420 174.900 -0.010 0.000 1.003 611 G CA 0.235 45.289 45.100 -0.075 0.000 0.622 611 G HN 0.598 nan 8.290 nan 0.000 0.507 612 F N 0.462 120.492 119.950 0.133 0.000 2.693 612 F HA 0.681 5.198 4.527 -0.018 0.000 0.303 612 F C 0.314 176.241 175.800 0.212 0.000 1.097 612 F CA -1.207 56.905 58.000 0.186 0.000 1.330 612 F CB 0.350 39.539 39.000 0.315 0.000 1.067 612 F HN -0.040 nan 8.300 nan 0.000 0.565 613 I N 2.209 122.788 120.570 0.015 0.000 2.339 613 I HA 0.138 4.299 4.170 -0.015 0.000 0.290 613 I C -0.336 175.791 176.117 0.018 0.000 0.994 613 I CA -1.046 60.287 61.300 0.055 0.000 1.191 613 I CB 0.817 38.791 38.000 -0.043 0.000 1.343 613 I HN -0.005 nan 8.210 nan 0.000 0.458 614 D N 5.734 126.145 120.400 0.018 0.000 2.359 614 D HA -0.018 4.613 4.640 -0.015 0.000 0.273 614 D C 1.048 177.333 176.300 -0.024 0.000 1.362 614 D CA 0.312 54.297 54.000 -0.026 0.000 1.010 614 D CB 0.668 41.429 40.800 -0.066 0.000 1.090 614 D HN 0.369 nan 8.370 nan 0.000 0.521 615 E N 2.466 122.652 120.200 -0.022 0.000 2.396 615 E HA -0.172 4.169 4.350 -0.015 0.000 0.200 615 E C 1.160 177.758 176.600 -0.004 0.000 1.023 615 E CA 1.008 57.395 56.400 -0.023 0.000 0.857 615 E CB 0.122 29.802 29.700 -0.033 0.000 0.775 615 E HN 0.505 nan 8.360 nan 0.000 0.525 616 K N -0.120 120.283 120.400 0.004 0.000 2.367 616 K HA 0.186 4.497 4.320 -0.015 0.000 0.194 616 K C 0.543 177.184 176.600 0.067 0.000 1.027 616 K CA 0.047 56.353 56.287 0.031 0.000 1.075 616 K CB 0.670 33.183 32.500 0.022 0.000 0.845 616 K HN -0.105 nan 8.250 nan 0.000 0.529 617 R N 1.156 121.673 120.500 0.028 0.000 2.886 617 R HA 0.312 4.644 4.340 -0.015 0.000 0.306 617 R C -1.088 175.243 176.300 0.052 0.000 1.300 617 R CA -0.147 55.962 56.100 0.015 0.000 1.441 617 R CB 0.218 30.360 30.300 -0.263 0.000 1.328 617 R HN -0.038 nan 8.270 nan 0.000 0.629 618 I N 0.927 121.667 120.570 0.283 0.000 2.339 618 I HA 0.494 4.656 4.170 -0.015 0.000 0.290 618 I C 0.241 176.736 176.117 0.629 0.000 0.994 618 I CA -0.392 61.151 61.300 0.405 0.000 1.191 618 I CB 1.915 40.081 38.000 0.276 0.000 1.343 618 I HN 0.207 nan 8.210 nan 0.000 0.458 619 A N 6.733 129.972 122.820 0.698 0.000 2.309 619 A HA 0.947 5.258 4.320 -0.015 0.000 0.317 619 A C -0.887 176.915 177.584 0.364 0.000 1.134 619 A CA -0.644 51.688 52.037 0.492 0.000 0.866 619 A CB 1.431 20.614 19.000 0.306 0.000 1.329 619 A HN 0.726 nan 8.150 nan 0.000 0.477 620 I N -0.001 120.661 120.570 0.153 0.000 2.692 620 I HA 0.645 4.806 4.170 -0.015 0.000 0.293 620 I C -1.865 174.378 176.117 0.210 0.000 1.200 620 I CA -0.504 60.809 61.300 0.022 0.000 1.036 620 I CB 1.525 39.183 38.000 -0.571 0.000 1.258 620 I HN 0.896 nan 8.210 nan 0.000 0.421 621 W N 7.759 129.129 121.300 0.117 0.000 3.022 621 W HA 0.866 5.517 4.660 -0.015 0.000 0.335 621 W C -1.583 175.057 176.519 0.202 0.000 1.133 621 W CA -1.114 56.334 57.345 0.170 0.000 1.219 621 W CB 1.643 31.273 29.460 0.282 0.000 1.409 621 W HN 0.836 nan 8.180 nan 0.000 0.507 622 G N 2.901 111.622 108.800 -0.131 0.000 2.759 622 G HA2 0.440 4.391 3.960 -0.015 0.000 0.297 622 G HA3 0.440 4.391 3.960 -0.015 0.000 0.297 622 G C -2.668 172.190 174.900 -0.070 0.000 1.434 622 G CA -0.602 44.268 45.100 -0.383 0.000 0.980 622 G HN 0.579 nan 8.290 nan 0.000 0.531 623 W N 2.165 123.321 121.300 -0.240 0.000 2.606 623 W HA 0.604 5.255 4.660 -0.014 0.000 0.332 623 W C 0.879 177.466 176.519 0.113 0.000 1.052 623 W CA 0.234 57.578 57.345 -0.001 0.000 1.223 623 W CB 1.827 31.314 29.460 0.046 0.000 1.383 623 W HN 1.073 nan 8.180 nan 0.000 0.524 624 S N 2.893 118.917 115.700 0.540 0.000 4.155 624 S HA -0.431 4.030 4.470 -0.015 0.000 0.552 624 S C 1.263 175.984 174.600 0.202 0.000 1.869 624 S CA 2.087 60.586 58.200 0.498 0.000 4.246 624 S CB -1.907 61.790 63.200 0.829 0.000 0.245 624 S HN 0.740 nan 8.310 nan 0.000 0.461 625 Y N 2.401 122.704 120.300 0.006 0.000 2.274 625 Y HA 0.067 4.608 4.550 -0.014 0.000 0.290 625 Y C 2.393 178.232 175.900 -0.102 0.000 1.145 625 Y CA 2.153 60.148 58.100 -0.174 0.000 1.203 625 Y CB -0.919 37.202 38.460 -0.565 0.000 0.984 625 Y HN 0.520 nan 8.280 nan 0.000 0.533 626 G N -0.721 108.145 108.800 0.110 0.000 2.442 626 G HA2 -0.282 3.669 3.960 -0.015 0.000 0.219 626 G HA3 -0.282 3.669 3.960 -0.015 0.000 0.219 626 G C 1.874 176.816 174.900 0.069 0.000 1.141 626 G CA 0.850 46.020 45.100 0.117 0.000 0.763 626 G HN 0.554 nan 8.290 nan 0.000 0.554 627 G N -0.389 108.466 108.800 0.090 0.000 2.402 627 G HA2 -0.208 3.744 3.960 -0.015 0.000 0.216 627 G HA3 -0.208 3.744 3.960 -0.015 0.000 0.216 627 G C 1.585 176.527 174.900 0.070 0.000 1.162 627 G CA 1.032 46.171 45.100 0.065 0.000 0.777 627 G HN 0.359 nan 8.290 nan 0.000 0.539 628 Y N 1.797 121.999 120.300 -0.164 0.000 2.030 628 Y HA -0.228 4.313 4.550 -0.015 0.000 0.274 628 Y C 2.877 178.697 175.900 -0.133 0.000 1.153 628 Y CA 1.899 59.852 58.100 -0.245 0.000 1.115 628 Y CB -0.635 37.508 38.460 -0.529 0.000 0.969 628 Y HN 0.050 nan 8.280 nan 0.000 0.488 629 V N -0.990 118.835 119.914 -0.148 0.000 2.427 629 V HA -0.221 3.891 4.120 -0.015 0.000 0.248 629 V C 2.624 178.652 176.094 -0.110 0.000 1.051 629 V CA 1.722 63.925 62.300 -0.161 0.000 1.048 629 V CB -1.288 30.547 31.823 0.019 0.000 0.666 629 V HN 0.466 nan 8.190 nan 0.000 0.456 630 S N 0.495 116.164 115.700 -0.051 0.000 2.365 630 S HA -0.247 4.214 4.470 -0.015 0.000 0.225 630 S C 2.227 176.797 174.600 -0.050 0.000 1.039 630 S CA 2.372 60.541 58.200 -0.051 0.000 1.033 630 S CB -0.329 62.895 63.200 0.040 0.000 0.887 630 S HN 0.677 nan 8.310 nan 0.000 0.447 631 S N 1.533 117.237 115.700 0.007 0.000 2.345 631 S HA 0.090 4.551 4.470 -0.015 0.000 0.219 631 S C 1.868 176.383 174.600 -0.143 0.000 1.031 631 S CA 1.315 59.528 58.200 0.021 0.000 0.984 631 S CB -0.555 62.733 63.200 0.148 0.000 0.874 631 S HN 0.474 nan 8.310 nan 0.000 0.451 632 L N 1.333 122.427 121.223 -0.215 0.000 2.083 632 L HA -0.142 4.190 4.340 -0.015 0.000 0.209 632 L C 2.799 179.545 176.870 -0.208 0.000 1.083 632 L CA 1.123 55.804 54.840 -0.265 0.000 0.752 632 L CB -0.800 41.025 42.059 -0.392 0.000 0.899 632 L HN 0.324 nan 8.230 nan 0.000 0.433 633 A N 0.336 123.064 122.820 -0.152 0.000 1.858 633 A HA -0.224 4.087 4.320 -0.015 0.000 0.216 633 A C 2.209 179.790 177.584 -0.005 0.000 1.190 633 A CA 1.739 53.756 52.037 -0.033 0.000 0.617 633 A CB -0.764 18.201 19.000 -0.057 0.000 0.827 633 A HN 0.332 nan 8.150 nan 0.000 0.443 634 L N -0.671 120.460 121.223 -0.154 0.000 2.275 634 L HA 0.115 4.447 4.340 -0.015 0.000 0.215 634 L C 1.886 178.576 176.870 -0.300 0.000 1.119 634 L CA 1.795 56.562 54.840 -0.120 0.000 0.790 634 L CB -0.265 41.711 42.059 -0.137 0.000 0.919 634 L HN 0.281 nan 8.230 nan 0.000 0.443 635 A N -1.500 121.013 122.820 -0.512 0.000 2.684 635 A HA 0.298 4.610 4.320 -0.015 0.000 0.288 635 A C 1.606 178.959 177.584 -0.385 0.000 1.337 635 A CA 0.413 52.064 52.037 -0.643 0.000 0.946 635 A CB -0.751 17.640 19.000 -1.015 0.000 1.093 635 A HN 0.481 nan 8.150 nan 0.000 0.543 636 S N -1.415 114.136 115.700 -0.249 0.000 2.556 636 S HA 0.378 4.839 4.470 -0.015 0.000 0.216 636 S C 1.214 175.679 174.600 -0.226 0.000 0.970 636 S CA 0.588 58.641 58.200 -0.245 0.000 0.912 636 S CB -0.392 62.740 63.200 -0.114 0.000 0.790 636 S HN 1.825 nan 8.310 nan 0.000 0.504 637 G N 1.053 109.770 108.800 -0.138 0.000 2.338 637 G HA2 -0.268 3.683 3.960 -0.015 0.000 0.296 637 G HA3 -0.268 3.683 3.960 -0.015 0.000 0.296 637 G C 0.410 175.295 174.900 -0.025 0.000 1.040 637 G CA 0.625 45.723 45.100 -0.003 0.000 1.004 637 G HN 0.588 nan 8.290 nan 0.000 0.509 638 T N -1.608 112.925 114.554 -0.035 0.000 2.990 638 T HA 0.428 4.769 4.350 -0.015 0.000 0.250 638 T C 2.386 177.045 174.700 -0.069 0.000 1.041 638 T CA 2.035 64.097 62.100 -0.064 0.000 1.010 638 T CB -0.420 68.395 68.868 -0.088 0.000 1.003 638 T HN 2.099 nan 8.240 nan 0.000 0.499 639 G N 1.371 110.151 108.800 -0.034 0.000 2.353 639 G HA2 -0.323 3.628 3.960 -0.015 0.000 0.258 639 G HA3 -0.323 3.628 3.960 -0.015 0.000 0.258 639 G C 1.009 175.873 174.900 -0.061 0.000 1.013 639 G CA 0.852 45.936 45.100 -0.027 0.000 0.622 639 G HN 0.541 nan 8.290 nan 0.000 0.535 640 L N -0.687 120.432 121.223 -0.173 0.000 1.994 640 L HA 0.176 4.507 4.340 -0.015 0.000 0.208 640 L C 1.450 178.169 176.870 -0.251 0.000 1.071 640 L CA 0.953 55.601 54.840 -0.319 0.000 0.745 640 L CB -0.417 41.256 42.059 -0.643 0.000 0.892 640 L HN 0.182 nan 8.230 nan 0.000 0.431 641 F N 0.600 120.586 119.950 0.060 0.000 2.420 641 F HA 0.129 4.647 4.527 -0.016 0.000 0.352 641 F C 1.168 177.034 175.800 0.110 0.000 1.108 641 F CA -0.571 57.490 58.000 0.102 0.000 1.162 641 F CB 0.887 39.944 39.000 0.095 0.000 1.118 641 F HN -0.128 nan 8.300 nan 0.000 0.510 642 K N 2.261 122.870 120.400 0.349 0.000 2.242 642 K HA 0.162 4.473 4.320 -0.015 0.000 0.200 642 K C -0.036 176.717 176.600 0.256 0.000 1.050 642 K CA 0.713 57.150 56.287 0.250 0.000 0.981 642 K CB 0.152 32.787 32.500 0.224 0.000 0.795 642 K HN 0.685 nan 8.250 nan 0.000 0.477 643 c N -2.246 116.539 118.600 0.308 0.000 3.323 643 c HA 0.968 5.529 4.570 -0.015 0.000 0.324 643 c C -0.095 174.206 174.090 0.351 0.000 1.428 643 c CA -0.481 56.057 56.329 0.347 0.000 1.368 643 c CB 1.171 43.873 42.510 0.319 0.000 1.731 643 c HN 0.399 nan 8.230 nan 0.000 0.455 644 G N 0.013 109.069 108.800 0.426 0.000 2.703 644 G HA2 0.694 4.645 3.960 -0.015 0.000 0.294 644 G HA3 0.694 4.645 3.960 -0.015 0.000 0.294 644 G C -1.947 173.139 174.900 0.310 0.000 1.451 644 G CA -0.640 44.647 45.100 0.311 0.000 0.869 644 G HN 0.931 nan 8.290 nan 0.000 0.516 645 I N 0.664 121.370 120.570 0.227 0.000 2.509 645 I HA 0.673 4.834 4.170 -0.015 0.000 0.293 645 I C 0.199 176.397 176.117 0.135 0.000 1.020 645 I CA -0.963 60.363 61.300 0.043 0.000 1.088 645 I CB 2.455 40.459 38.000 0.007 0.000 1.267 645 I HN 0.652 nan 8.210 nan 0.000 0.430 646 A N 5.981 128.789 122.820 -0.020 0.000 2.340 646 A HA 0.709 5.020 4.320 -0.015 0.000 0.297 646 A C -0.918 176.599 177.584 -0.112 0.000 1.195 646 A CA -0.492 51.559 52.037 0.024 0.000 0.769 646 A CB 1.003 20.089 19.000 0.142 0.000 1.163 646 A HN 0.420 nan 8.150 nan 0.000 0.472 647 V N 2.438 122.273 119.914 -0.131 0.000 2.364 647 V HA 0.515 4.626 4.120 -0.015 0.000 0.272 647 V C 1.040 176.796 176.094 -0.564 0.000 1.036 647 V CA 0.629 62.681 62.300 -0.413 0.000 0.880 647 V CB 0.484 31.943 31.823 -0.607 0.000 0.991 647 V HN 2.111 nan 8.190 nan 0.000 0.460 648 A N 6.012 128.434 122.820 -0.664 0.000 2.687 648 A HA -0.096 4.215 4.320 -0.015 0.000 0.299 648 A C -1.697 175.682 177.584 -0.340 0.000 1.497 648 A CA 0.239 51.684 52.037 -0.988 0.000 0.751 648 A CB -1.684 16.839 19.000 -0.795 0.000 1.048 648 A HN 0.617 nan 8.150 nan 0.000 0.464 649 P HA 0.352 nan 4.420 nan 0.000 0.275 649 P C 0.431 177.686 177.300 -0.075 0.000 1.228 649 P CA 0.033 63.103 63.100 -0.051 0.000 0.786 649 P CB 0.996 32.700 31.700 0.006 0.000 0.927 650 V N 2.711 122.471 119.914 -0.258 0.000 2.763 650 V HA -0.007 4.104 4.120 -0.015 0.000 0.306 650 V C 1.752 177.610 176.094 -0.392 0.000 1.059 650 V CA 1.309 63.308 62.300 -0.502 0.000 1.138 650 V CB 0.394 31.532 31.823 -1.142 0.000 0.940 650 V HN 0.834 nan 8.190 nan 0.000 0.489 651 S N 1.026 116.550 115.700 -0.293 0.000 2.604 651 S HA 0.290 4.751 4.470 -0.015 0.000 0.235 651 S C 0.370 174.808 174.600 -0.271 0.000 1.043 651 S CA 0.308 58.420 58.200 -0.147 0.000 0.997 651 S CB 0.565 63.767 63.200 0.003 0.000 0.956 651 S HN 1.062 nan 8.310 nan 0.000 0.535 652 S N -0.653 114.736 115.700 -0.519 0.000 2.560 652 S HA 0.408 4.869 4.470 -0.015 0.000 0.283 652 S C -1.095 173.135 174.600 -0.617 0.000 1.141 652 S CA -0.759 57.080 58.200 -0.602 0.000 0.902 652 S CB -0.155 62.676 63.200 -0.615 0.000 1.104 652 S HN 0.350 nan 8.310 nan 0.000 0.454 653 W N 2.196 123.385 121.300 -0.185 0.000 2.699 653 W HA 0.172 4.823 4.660 -0.015 0.000 0.249 653 W C 2.117 178.757 176.519 0.202 0.000 1.280 653 W CA 0.449 57.774 57.345 -0.034 0.000 1.345 653 W CB 0.102 29.417 29.460 -0.241 0.000 1.128 653 W HN 0.853 nan 8.180 nan 0.000 0.642 654 E N -0.169 120.145 120.200 0.190 0.000 2.110 654 E HA -0.230 4.111 4.350 -0.015 0.000 0.193 654 E C 1.386 178.092 176.600 0.176 0.000 0.988 654 E CA 1.230 57.687 56.400 0.094 0.000 0.804 654 E CB -0.187 29.407 29.700 -0.178 0.000 0.745 654 E HN 0.337 nan 8.360 nan 0.000 0.458 655 Y N -1.639 118.737 120.300 0.128 0.000 2.519 655 Y HA 0.057 4.598 4.550 -0.015 0.000 0.287 655 Y C 0.774 176.764 175.900 0.150 0.000 1.128 655 Y CA -0.085 58.068 58.100 0.087 0.000 1.282 655 Y CB -0.652 37.804 38.460 -0.008 0.000 1.027 655 Y HN 0.049 nan 8.280 nan 0.000 0.551 656 Y N 0.213 120.646 120.300 0.221 0.000 2.392 656 Y HA 0.576 5.118 4.550 -0.014 0.000 0.323 656 Y C 0.583 176.699 175.900 0.360 0.000 1.291 656 Y CA -1.359 56.885 58.100 0.239 0.000 1.345 656 Y CB 0.703 39.316 38.460 0.255 0.000 1.320 656 Y HN -0.067 nan 8.280 nan 0.000 0.518 657 A N 1.655 124.123 122.820 -0.586 0.000 2.498 657 A HA 0.162 4.473 4.320 -0.015 0.000 0.239 657 A C 1.144 178.694 177.584 -0.058 0.000 1.068 657 A CA 0.250 52.059 52.037 -0.380 0.000 0.766 657 A CB -0.173 18.416 19.000 -0.685 0.000 1.003 657 A HN 0.977 nan 8.150 nan 0.000 0.497 658 S N 2.267 117.959 115.700 -0.014 0.000 2.354 658 S HA -0.190 4.271 4.470 -0.015 0.000 0.219 658 S C 1.676 176.289 174.600 0.022 0.000 1.035 658 S CA 1.620 59.858 58.200 0.064 0.000 1.037 658 S CB -1.312 61.936 63.200 0.080 0.000 0.956 658 S HN 0.706 nan 8.310 nan 0.000 0.428 659 V N 1.264 121.152 119.914 -0.044 0.000 2.277 659 V HA -0.274 3.837 4.120 -0.015 0.000 0.253 659 V C 2.279 178.204 176.094 -0.281 0.000 1.067 659 V CA 2.566 64.734 62.300 -0.220 0.000 1.047 659 V CB -1.207 30.353 31.823 -0.438 0.000 0.649 659 V HN 0.611 nan 8.190 nan 0.000 0.447 660 Y N 1.223 121.372 120.300 -0.250 0.000 2.092 660 Y HA -0.240 4.300 4.550 -0.015 0.000 0.282 660 Y C 2.790 178.511 175.900 -0.299 0.000 1.126 660 Y CA 2.445 60.409 58.100 -0.227 0.000 1.111 660 Y CB -0.693 37.921 38.460 0.257 0.000 0.987 660 Y HN 0.240 nan 8.280 nan 0.000 0.489 661 T N 0.478 115.189 114.554 0.261 0.000 2.607 661 T HA -0.260 4.082 4.350 -0.015 0.000 0.267 661 T C 1.601 176.212 174.700 -0.149 0.000 1.049 661 T CA 2.081 64.272 62.100 0.151 0.000 1.162 661 T CB -0.486 68.655 68.868 0.455 0.000 0.863 661 T HN 0.450 nan 8.240 nan 0.000 0.424 662 E N 0.474 120.632 120.200 -0.070 0.000 2.153 662 E HA -0.137 4.205 4.350 -0.015 0.000 0.194 662 E C 2.411 178.865 176.600 -0.242 0.000 0.988 662 E CA 0.651 57.014 56.400 -0.061 0.000 0.811 662 E CB -0.168 29.544 29.700 0.019 0.000 0.746 662 E HN 0.344 nan 8.360 nan 0.000 0.466 663 R N -0.010 120.155 120.500 -0.558 0.000 2.117 663 R HA -0.182 4.149 4.340 -0.015 0.000 0.243 663 R C 1.341 177.103 176.300 -0.898 0.000 1.143 663 R CA 1.663 57.234 56.100 -0.882 0.000 0.968 663 R CB -0.008 29.375 30.300 -1.529 0.000 0.863 663 R HN 0.149 nan 8.270 nan 0.000 0.444 664 F N -2.218 117.419 119.950 -0.522 0.000 2.653 664 F HA 0.220 4.739 4.527 -0.014 0.000 0.288 664 F C 1.819 177.476 175.800 -0.238 0.000 1.121 664 F CA 0.003 57.738 58.000 -0.441 0.000 1.384 664 F CB 0.033 38.575 39.000 -0.764 0.000 1.115 664 F HN -0.092 nan 8.300 nan 0.000 0.599 665 M N 0.036 119.524 119.600 -0.187 0.000 2.414 665 M HA 0.352 4.823 4.480 -0.015 0.000 0.251 665 M C 1.313 177.550 176.300 -0.105 0.000 1.116 665 M CA 0.751 55.904 55.300 -0.243 0.000 1.056 665 M CB -0.763 31.563 32.600 -0.457 0.000 1.388 665 M HN 0.264 nan 8.290 nan 0.000 0.487 666 G N 1.694 110.459 108.800 -0.057 0.000 2.601 666 G HA2 -0.245 3.706 3.960 -0.015 0.000 0.252 666 G HA3 -0.245 3.706 3.960 -0.015 0.000 0.252 666 G C -0.669 174.329 174.900 0.163 0.000 1.294 666 G CA -0.664 44.447 45.100 0.017 0.000 0.912 666 G HN 0.292 nan 8.290 nan 0.000 0.574 667 L N 2.704 123.995 121.223 0.113 0.000 2.334 667 L HA 0.541 4.873 4.340 -0.015 0.000 0.277 667 L C -1.295 175.537 176.870 -0.063 0.000 1.075 667 L CA -1.679 53.184 54.840 0.039 0.000 0.804 667 L CB 1.447 43.499 42.059 -0.010 0.000 1.174 667 L HN 0.413 nan 8.230 nan 0.000 0.438 668 P HA 0.101 nan 4.420 nan 0.000 0.220 668 P C -0.605 176.516 177.300 -0.297 0.000 1.778 668 P CA -0.234 62.398 63.100 -0.781 0.000 0.912 668 P CB -0.521 30.372 31.700 -1.345 0.000 1.861 669 T N -2.769 111.702 114.554 -0.139 0.000 2.944 669 T HA 0.336 4.677 4.350 -0.015 0.000 0.284 669 T C 1.451 176.130 174.700 -0.034 0.000 1.010 669 T CA -0.849 61.206 62.100 -0.075 0.000 1.025 669 T CB 1.776 70.614 68.868 -0.050 0.000 1.079 669 T HN 0.059 nan 8.240 nan 0.000 0.516 670 K N 0.560 120.947 120.400 -0.022 0.000 2.097 670 K HA -0.067 4.244 4.320 -0.015 0.000 0.205 670 K C 0.514 177.116 176.600 0.003 0.000 1.050 670 K CA 1.601 57.885 56.287 -0.004 0.000 0.938 670 K CB -0.537 31.961 32.500 -0.004 0.000 0.718 670 K HN 0.760 nan 8.250 nan 0.000 0.442 671 D N 0.055 120.454 120.400 -0.002 0.000 2.460 671 D HA 0.043 4.675 4.640 -0.015 0.000 0.229 671 D C 0.270 176.571 176.300 0.002 0.000 1.170 671 D CA -0.196 53.805 54.000 0.001 0.000 0.827 671 D CB 0.578 41.377 40.800 -0.001 0.000 0.973 671 D HN 0.132 nan 8.370 nan 0.000 0.496 672 D N -0.036 120.367 120.400 0.006 0.000 3.100 672 D HA 0.070 4.701 4.640 -0.015 0.000 0.197 672 D C 0.033 176.354 176.300 0.035 0.000 1.362 672 D CA -0.082 53.925 54.000 0.012 0.000 1.477 672 D CB 0.090 40.895 40.800 0.009 0.000 1.048 672 D HN -0.023 nan 8.370 nan 0.000 0.186 673 N N -0.059 118.689 118.700 0.079 0.000 2.240 673 N HA 0.120 4.851 4.740 -0.015 0.000 0.240 673 N C 1.039 176.727 175.510 0.296 0.000 1.277 673 N CA -0.063 53.084 53.050 0.163 0.000 0.873 673 N CB 0.311 38.898 38.487 0.167 0.000 1.222 673 N HN 0.142 nan 8.380 nan 0.000 0.507 674 L N 1.008 122.325 121.223 0.157 0.000 2.081 674 L HA -0.115 4.216 4.340 -0.015 0.000 0.212 674 L C 2.110 179.091 176.870 0.185 0.000 1.080 674 L CA 1.910 56.827 54.840 0.128 0.000 0.754 674 L CB -0.219 41.844 42.059 0.006 0.000 0.893 674 L HN 0.233 nan 8.230 nan 0.000 0.433 675 E N -1.168 119.119 120.200 0.144 0.000 2.085 675 E HA -0.336 4.005 4.350 -0.015 0.000 0.194 675 E C 2.152 178.845 176.600 0.155 0.000 0.994 675 E CA 1.890 58.362 56.400 0.121 0.000 0.801 675 E CB -0.330 29.424 29.700 0.092 0.000 0.743 675 E HN 0.724 nan 8.360 nan 0.000 0.453 676 H N -1.510 117.615 119.070 0.093 0.000 2.482 676 H HA 0.049 4.596 4.556 -0.015 0.000 0.286 676 H C 1.214 176.589 175.328 0.078 0.000 1.017 676 H CA 1.207 57.287 56.048 0.052 0.000 1.322 676 H CB -0.192 29.562 29.762 -0.013 0.000 1.426 676 H HN 0.250 nan 8.280 nan 0.000 0.546 677 Y N 0.750 121.077 120.300 0.045 0.000 2.207 677 Y HA -0.210 4.331 4.550 -0.014 0.000 0.287 677 Y C 2.299 178.175 175.900 -0.039 0.000 1.156 677 Y CA 1.775 59.894 58.100 0.031 0.000 1.182 677 Y CB 0.089 38.578 38.460 0.048 0.000 0.979 677 Y HN 0.146 nan 8.280 nan 0.000 0.521 678 K N -0.773 119.698 120.400 0.118 0.000 2.186 678 K HA -0.095 4.216 4.320 -0.015 0.000 0.202 678 K C 1.688 178.276 176.600 -0.020 0.000 1.052 678 K CA 0.968 57.278 56.287 0.039 0.000 0.965 678 K CB -0.084 32.443 32.500 0.045 0.000 0.746 678 K HN 0.109 nan 8.250 nan 0.000 0.457 679 N N 0.087 118.748 118.700 -0.065 0.000 2.409 679 N HA -0.076 4.655 4.740 -0.015 0.000 0.179 679 N C 0.734 176.149 175.510 -0.159 0.000 1.032 679 N CA 0.929 53.924 53.050 -0.092 0.000 0.898 679 N CB 0.287 38.751 38.487 -0.039 0.000 0.971 679 N HN 0.063 nan 8.380 nan 0.000 0.441 680 S N -1.514 114.040 115.700 -0.244 0.000 2.575 680 S HA 0.126 4.588 4.470 -0.015 0.000 0.237 680 S C 0.466 175.089 174.600 0.037 0.000 0.975 680 S CA -0.535 57.566 58.200 -0.163 0.000 0.960 680 S CB -0.722 62.291 63.200 -0.312 0.000 0.822 680 S HN 0.247 nan 8.310 nan 0.000 0.472 681 T N -1.021 113.523 114.554 -0.017 0.000 2.882 681 T HA 0.425 4.766 4.350 -0.015 0.000 0.287 681 T C 1.347 176.062 174.700 0.026 0.000 1.014 681 T CA -0.124 61.971 62.100 -0.008 0.000 1.049 681 T CB 1.412 70.244 68.868 -0.059 0.000 1.001 681 T HN 0.468 nan 8.240 nan 0.000 0.525 682 V N 1.017 120.959 119.914 0.045 0.000 3.041 682 V HA 0.030 4.141 4.120 -0.015 0.000 0.260 682 V C 2.126 178.259 176.094 0.064 0.000 1.105 682 V CA 1.052 63.382 62.300 0.050 0.000 1.125 682 V CB -1.141 30.727 31.823 0.076 0.000 0.730 682 V HN 0.839 nan 8.190 nan 0.000 0.479 683 M N 1.576 121.191 119.600 0.026 0.000 2.149 683 M HA 0.044 4.515 4.480 -0.015 0.000 0.261 683 M C 2.366 178.694 176.300 0.047 0.000 1.064 683 M CA 2.364 57.675 55.300 0.018 0.000 1.102 683 M CB -0.961 31.645 32.600 0.010 0.000 1.369 683 M HN 0.476 nan 8.290 nan 0.000 0.408 684 A N -0.405 122.441 122.820 0.044 0.000 2.070 684 A HA -0.104 4.207 4.320 -0.015 0.000 0.220 684 A C 1.962 179.619 177.584 0.121 0.000 1.159 684 A CA 1.239 53.313 52.037 0.061 0.000 0.656 684 A CB -0.435 18.583 19.000 0.031 0.000 0.800 684 A HN 0.339 nan 8.150 nan 0.000 0.453 685 R N -0.355 120.227 120.500 0.136 0.000 2.310 685 R HA 0.276 4.607 4.340 -0.015 0.000 0.202 685 R C 1.988 178.504 176.300 0.360 0.000 0.933 685 R CA 0.731 56.962 56.100 0.218 0.000 1.054 685 R CB -1.330 28.998 30.300 0.046 0.000 0.985 685 R HN 0.487 nan 8.270 nan 0.000 0.489 686 A N 2.091 125.069 122.820 0.264 0.000 1.899 686 A HA -0.305 4.006 4.320 -0.015 0.000 0.230 686 A C 1.952 179.678 177.584 0.237 0.000 1.593 686 A CA 2.077 54.234 52.037 0.200 0.000 0.728 686 A CB -0.458 18.579 19.000 0.061 0.000 0.848 686 A HN 0.245 nan 8.150 nan 0.000 0.490 687 E N -1.277 118.981 120.200 0.095 0.000 2.160 687 E HA -0.189 4.153 4.350 -0.015 0.000 0.195 687 E C 1.511 178.026 176.600 -0.143 0.000 0.991 687 E CA 1.324 57.667 56.400 -0.095 0.000 0.810 687 E CB -0.354 29.162 29.700 -0.307 0.000 0.742 687 E HN 0.870 nan 8.360 nan 0.000 0.466 688 Y N -1.017 119.284 120.300 0.001 0.000 2.519 688 Y HA 0.008 4.550 4.550 -0.014 0.000 0.311 688 Y C 1.334 177.097 175.900 -0.228 0.000 1.207 688 Y CA 0.059 58.087 58.100 -0.120 0.000 1.289 688 Y CB -0.415 37.928 38.460 -0.195 0.000 1.059 688 Y HN -0.018 nan 8.280 nan 0.000 0.507 689 F N -1.038 118.920 119.950 0.014 0.000 2.754 689 F HA 0.119 4.638 4.527 -0.015 0.000 0.297 689 F C 2.293 178.114 175.800 0.034 0.000 1.122 689 F CA 0.081 58.071 58.000 -0.017 0.000 1.400 689 F CB -0.059 38.879 39.000 -0.104 0.000 1.117 689 F HN -0.106 nan 8.300 nan 0.000 0.587 690 R N 0.769 121.366 120.500 0.163 0.000 2.185 690 R HA -0.165 4.166 4.340 -0.015 0.000 0.247 690 R C 0.779 177.146 176.300 0.113 0.000 1.159 690 R CA 1.664 57.833 56.100 0.115 0.000 0.988 690 R CB -0.209 30.116 30.300 0.041 0.000 0.871 690 R HN 0.220 nan 8.270 nan 0.000 0.458 691 N N -0.107 118.653 118.700 0.101 0.000 2.291 691 N HA 0.081 4.812 4.740 -0.015 0.000 0.244 691 N C -0.965 174.615 175.510 0.116 0.000 1.216 691 N CA 0.267 53.374 53.050 0.094 0.000 0.879 691 N CB 1.691 40.216 38.487 0.064 0.000 1.167 691 N HN 0.029 nan 8.380 nan 0.000 0.515 692 V N -2.357 117.652 119.914 0.158 0.000 3.007 692 V HA 0.528 4.639 4.120 -0.015 0.000 0.311 692 V C -0.974 175.291 176.094 0.284 0.000 1.120 692 V CA -1.086 61.331 62.300 0.196 0.000 0.980 692 V CB 2.309 34.232 31.823 0.167 0.000 1.033 692 V HN -0.208 nan 8.190 nan 0.000 0.429 693 D N 2.539 123.122 120.400 0.306 0.000 2.317 693 D HA 0.366 4.997 4.640 -0.015 0.000 0.252 693 D C -1.034 175.650 176.300 0.640 0.000 1.174 693 D CA 0.549 54.804 54.000 0.425 0.000 0.866 693 D CB 0.771 41.752 40.800 0.301 0.000 1.127 693 D HN 0.651 nan 8.370 nan 0.000 0.467 694 Y N 2.594 123.155 120.300 0.435 0.000 2.352 694 Y HA 0.461 5.002 4.550 -0.015 0.000 0.339 694 Y C -1.221 174.775 175.900 0.159 0.000 0.992 694 Y CA -1.574 56.720 58.100 0.324 0.000 1.100 694 Y CB 1.090 39.731 38.460 0.302 0.000 1.192 694 Y HN 0.229 nan 8.280 nan 0.000 0.458 695 L N 8.069 129.029 121.223 -0.439 0.000 2.319 695 L HA 0.599 4.930 4.340 -0.015 0.000 0.281 695 L C -2.115 174.305 176.870 -0.749 0.000 1.005 695 L CA -0.697 53.697 54.840 -0.744 0.000 0.828 695 L CB 1.225 42.371 42.059 -1.522 0.000 1.227 695 L HN 0.603 nan 8.230 nan 0.000 0.415 696 L N 6.525 127.399 121.223 -0.582 0.000 2.305 696 L HA 0.712 5.043 4.340 -0.015 0.000 0.284 696 L C -1.254 175.490 176.870 -0.210 0.000 1.013 696 L CA 0.022 54.560 54.840 -0.503 0.000 0.819 696 L CB 1.153 42.908 42.059 -0.506 0.000 1.227 696 L HN 0.629 nan 8.230 nan 0.000 0.417 697 I N 4.509 124.971 120.570 -0.179 0.000 2.569 697 I HA 0.547 4.708 4.170 -0.015 0.000 0.296 697 I C -0.923 175.191 176.117 -0.005 0.000 1.028 697 I CA -0.628 60.629 61.300 -0.073 0.000 1.082 697 I CB 2.022 39.956 38.000 -0.110 0.000 1.264 697 I HN 0.720 nan 8.210 nan 0.000 0.429 698 H N 1.687 120.798 119.070 0.067 0.000 3.068 698 H HA 0.498 5.045 4.556 -0.014 0.000 0.342 698 H C -0.628 174.924 175.328 0.373 0.000 1.284 698 H CA -0.714 55.422 56.048 0.147 0.000 1.181 698 H CB 1.939 31.732 29.762 0.052 0.000 1.898 698 H HN 0.719 nan 8.280 nan 0.000 0.540 699 G N 0.355 109.539 108.800 0.640 0.000 2.332 699 G HA2 0.277 4.228 3.960 -0.015 0.000 0.310 699 G HA3 0.277 4.228 3.960 -0.015 0.000 0.310 699 G C 0.985 176.165 174.900 0.466 0.000 1.123 699 G CA 0.041 45.444 45.100 0.505 0.000 0.873 699 G HN 0.712 nan 8.290 nan 0.000 0.460 700 T N -0.894 113.786 114.554 0.209 0.000 3.113 700 T HA 0.174 4.515 4.350 -0.015 0.000 0.263 700 T C 1.398 176.062 174.700 -0.060 0.000 1.143 700 T CA 1.070 63.062 62.100 -0.181 0.000 1.090 700 T CB 0.264 68.996 68.868 -0.227 0.000 0.922 700 T HN 0.753 nan 8.240 nan 0.000 0.521 701 A N 0.790 123.661 122.820 0.084 0.000 2.749 701 A HA 0.334 4.645 4.320 -0.015 0.000 0.299 701 A C 0.081 177.647 177.584 -0.031 0.000 1.105 701 A CA -0.587 51.474 52.037 0.041 0.000 0.987 701 A CB 0.007 19.259 19.000 0.419 0.000 1.180 701 A HN 0.339 nan 8.150 nan 0.000 0.528 702 D N 1.682 122.070 120.400 -0.019 0.000 2.346 702 D HA 0.004 4.635 4.640 -0.015 0.000 0.260 702 D C 0.199 176.461 176.300 -0.064 0.000 1.252 702 D CA 0.249 54.334 54.000 0.140 0.000 0.895 702 D CB 0.786 41.816 40.800 0.385 0.000 1.097 702 D HN 0.598 nan 8.370 nan 0.000 0.489 703 D N 2.102 122.522 120.400 0.033 0.000 2.349 703 D HA -0.097 4.534 4.640 -0.015 0.000 0.215 703 D C 0.943 177.227 176.300 -0.028 0.000 1.016 703 D CA 0.139 54.098 54.000 -0.069 0.000 0.870 703 D CB 0.343 41.069 40.800 -0.122 0.000 0.917 703 D HN 0.436 nan 8.370 nan 0.000 0.524 704 N N -0.017 118.782 118.700 0.164 0.000 2.638 704 N HA -0.017 4.715 4.740 -0.015 0.000 0.220 704 N C -0.243 175.276 175.510 0.016 0.000 1.031 704 N CA 0.043 53.266 53.050 0.289 0.000 1.062 704 N CB 0.899 39.652 38.487 0.444 0.000 1.406 704 N HN -0.178 nan 8.380 nan 0.000 0.495 705 V N 3.407 123.305 119.914 -0.026 0.000 2.304 705 V HA 0.226 4.337 4.120 -0.015 0.000 0.262 705 V C -0.767 175.415 176.094 0.147 0.000 1.061 705 V CA -0.608 61.696 62.300 0.007 0.000 0.872 705 V CB 0.049 31.891 31.823 0.032 0.000 1.077 705 V HN 0.344 nan 8.190 nan 0.000 0.480 706 H N 3.365 122.434 119.070 -0.003 0.000 2.897 706 H HA 0.025 4.573 4.556 -0.014 0.000 0.347 706 H C 0.830 176.021 175.328 -0.229 0.000 1.068 706 H CA -0.336 55.613 56.048 -0.165 0.000 1.426 706 H CB 0.567 30.142 29.762 -0.311 0.000 1.410 706 H HN 0.624 nan 8.280 nan 0.000 0.597 707 F N 2.177 121.902 119.950 -0.376 0.000 2.192 707 F HA -0.292 4.226 4.527 -0.015 0.000 0.301 707 F C 2.562 178.079 175.800 -0.472 0.000 1.079 707 F CA 1.848 59.412 58.000 -0.727 0.000 1.303 707 F CB -0.032 38.720 39.000 -0.413 0.000 1.024 707 F HN 0.675 nan 8.300 nan 0.000 0.494 708 Q N 0.670 120.353 119.800 -0.195 0.000 2.084 708 Q HA -0.412 3.919 4.340 -0.015 0.000 0.215 708 Q C 1.815 177.573 176.000 -0.402 0.000 1.020 708 Q CA 2.721 58.336 55.803 -0.314 0.000 0.887 708 Q CB -0.593 27.915 28.738 -0.384 0.000 0.975 708 Q HN 0.580 nan 8.270 nan 0.000 0.413 709 N N -0.288 118.231 118.700 -0.301 0.000 2.049 709 N HA -0.178 4.554 4.740 -0.015 0.000 0.198 709 N C 1.830 177.249 175.510 -0.152 0.000 1.030 709 N CA 2.261 55.248 53.050 -0.105 0.000 0.870 709 N CB -0.324 38.180 38.487 0.029 0.000 1.045 709 N HN 0.182 nan 8.380 nan 0.000 0.434 710 S N -0.337 115.177 115.700 -0.310 0.000 2.436 710 S HA 0.112 4.574 4.470 -0.015 0.000 0.228 710 S C 2.009 176.367 174.600 -0.404 0.000 1.014 710 S CA 0.601 58.612 58.200 -0.315 0.000 0.950 710 S CB -0.256 62.771 63.200 -0.288 0.000 0.784 710 S HN 0.488 nan 8.310 nan 0.000 0.504 711 A N 2.015 124.501 122.820 -0.557 0.000 1.883 711 A HA -0.179 4.132 4.320 -0.015 0.000 0.217 711 A C 2.183 179.671 177.584 -0.159 0.000 1.186 711 A CA 1.321 53.169 52.037 -0.316 0.000 0.624 711 A CB -0.583 18.298 19.000 -0.199 0.000 0.822 711 A HN 0.361 nan 8.150 nan 0.000 0.444 712 Q N -0.243 119.471 119.800 -0.144 0.000 2.084 712 Q HA -0.123 4.208 4.340 -0.015 0.000 0.202 712 Q C 2.178 178.145 176.000 -0.056 0.000 0.978 712 Q CA 1.431 57.205 55.803 -0.048 0.000 0.844 712 Q CB -0.559 28.219 28.738 0.066 0.000 0.898 712 Q HN 0.792 nan 8.270 nan 0.000 0.426 713 I N 0.787 121.303 120.570 -0.091 0.000 2.127 713 I HA -0.308 3.853 4.170 -0.015 0.000 0.241 713 I C 2.420 178.395 176.117 -0.236 0.000 1.075 713 I CA 1.261 62.471 61.300 -0.150 0.000 1.334 713 I CB -0.542 37.375 38.000 -0.138 0.000 1.040 713 I HN 0.096 nan 8.210 nan 0.000 0.405 714 A N 0.937 123.654 122.820 -0.172 0.000 1.883 714 A HA -0.300 4.011 4.320 -0.015 0.000 0.217 714 A C 2.351 179.936 177.584 0.001 0.000 1.186 714 A CA 2.301 54.310 52.037 -0.046 0.000 0.624 714 A CB -0.659 18.457 19.000 0.193 0.000 0.822 714 A HN 0.406 nan 8.150 nan 0.000 0.444 715 K N -0.198 120.197 120.400 -0.009 0.000 2.103 715 K HA -0.097 4.215 4.320 -0.015 0.000 0.207 715 K C 1.974 178.563 176.600 -0.019 0.000 1.048 715 K CA 1.578 57.867 56.287 0.003 0.000 0.930 715 K CB -0.363 32.132 32.500 -0.007 0.000 0.716 715 K HN 0.354 nan 8.250 nan 0.000 0.444 716 A N 0.803 123.585 122.820 -0.063 0.000 1.929 716 A HA -0.035 4.276 4.320 -0.015 0.000 0.216 716 A C 2.077 179.604 177.584 -0.094 0.000 1.176 716 A CA 1.203 53.201 52.037 -0.065 0.000 0.628 716 A CB -0.514 18.444 19.000 -0.070 0.000 0.816 716 A HN 0.317 nan 8.150 nan 0.000 0.444 717 L N -0.645 120.457 121.223 -0.202 0.000 2.093 717 L HA -0.134 4.197 4.340 -0.015 0.000 0.208 717 L C 2.462 179.324 176.870 -0.013 0.000 1.085 717 L CA 0.788 55.497 54.840 -0.219 0.000 0.755 717 L CB -0.559 41.118 42.059 -0.636 0.000 0.904 717 L HN 0.216 nan 8.230 nan 0.000 0.435 718 V N 0.350 120.294 119.914 0.051 0.000 2.261 718 V HA -0.293 3.818 4.120 -0.015 0.000 0.246 718 V C 2.023 178.146 176.094 0.049 0.000 1.047 718 V CA 2.279 64.636 62.300 0.096 0.000 1.015 718 V CB -0.722 31.163 31.823 0.103 0.000 0.642 718 V HN 0.533 nan 8.190 nan 0.000 0.446 719 N N 0.386 119.101 118.700 0.024 0.000 2.289 719 N HA -0.106 4.625 4.740 -0.015 0.000 0.184 719 N C 1.531 177.050 175.510 0.014 0.000 1.016 719 N CA 1.076 54.136 53.050 0.017 0.000 0.872 719 N CB -0.207 38.285 38.487 0.010 0.000 0.973 719 N HN 0.495 nan 8.380 nan 0.000 0.433 720 A N 0.426 123.252 122.820 0.010 0.000 2.275 720 A HA 0.048 4.359 4.320 -0.015 0.000 0.212 720 A C 0.430 178.028 177.584 0.023 0.000 1.201 720 A CA -0.028 52.016 52.037 0.010 0.000 0.843 720 A CB 0.078 19.082 19.000 0.006 0.000 0.873 720 A HN 0.246 nan 8.150 nan 0.000 0.492 721 Q N -1.007 118.816 119.800 0.038 0.000 2.464 721 Q HA -0.131 4.200 4.340 -0.015 0.000 0.304 721 Q C -1.039 175.007 176.000 0.076 0.000 1.401 721 Q CA 0.535 56.371 55.803 0.055 0.000 0.806 721 Q CB -1.579 27.182 28.738 0.039 0.000 1.134 721 Q HN 0.349 nan 8.270 nan 0.000 0.411 722 V N 0.841 120.817 119.914 0.103 0.000 2.448 722 V HA 0.266 4.377 4.120 -0.015 0.000 0.295 722 V C 0.141 176.386 176.094 0.251 0.000 1.025 722 V CA -0.756 61.627 62.300 0.139 0.000 0.859 722 V CB 1.920 33.805 31.823 0.104 0.000 0.988 722 V HN 0.227 nan 8.190 nan 0.000 0.431 723 D N 4.005 124.552 120.400 0.246 0.000 2.414 723 D HA 0.441 5.073 4.640 -0.015 0.000 0.242 723 D C -0.591 175.995 176.300 0.477 0.000 1.129 723 D CA 0.419 54.593 54.000 0.289 0.000 0.885 723 D CB 0.688 41.593 40.800 0.176 0.000 1.198 723 D HN 0.324 nan 8.370 nan 0.000 0.437 724 F N -0.120 119.887 119.950 0.094 0.000 2.711 724 F HA 0.539 5.057 4.527 -0.015 0.000 0.313 724 F C -1.146 174.695 175.800 0.068 0.000 1.141 724 F CA -1.237 56.832 58.000 0.115 0.000 0.941 724 F CB 0.514 39.581 39.000 0.112 0.000 1.349 724 F HN 0.022 nan 8.300 nan 0.000 0.464 725 Q N 1.179 121.038 119.800 0.097 0.000 2.222 725 Q HA 0.867 5.198 4.340 -0.015 0.000 0.252 725 Q C -0.695 175.218 176.000 -0.144 0.000 0.926 725 Q CA -0.464 55.301 55.803 -0.064 0.000 0.899 725 Q CB 1.880 30.654 28.738 0.061 0.000 1.250 725 Q HN 1.047 nan 8.270 nan 0.000 0.441 726 A N 1.436 124.157 122.820 -0.165 0.000 2.564 726 A HA 0.933 5.244 4.320 -0.015 0.000 0.288 726 A C -1.609 175.957 177.584 -0.029 0.000 1.164 726 A CA -0.626 51.356 52.037 -0.092 0.000 0.712 726 A CB 1.772 20.717 19.000 -0.092 0.000 1.303 726 A HN 0.615 nan 8.150 nan 0.000 0.418 727 M N 0.578 120.164 119.600 -0.022 0.000 2.319 727 M HA 0.512 4.983 4.480 -0.015 0.000 0.265 727 M C -2.030 174.179 176.300 -0.151 0.000 1.038 727 M CA -0.616 54.572 55.300 -0.186 0.000 0.946 727 M CB 0.762 33.257 32.600 -0.175 0.000 1.984 727 M HN 1.043 nan 8.290 nan 0.000 0.482 728 W N 4.253 125.409 121.300 -0.240 0.000 2.436 728 W HA 0.805 5.456 4.660 -0.015 0.000 0.347 728 W C -1.884 174.358 176.519 -0.462 0.000 1.136 728 W CA -0.680 56.589 57.345 -0.128 0.000 1.286 728 W CB 0.471 29.938 29.460 0.012 0.000 1.253 728 W HN 0.629 nan 8.180 nan 0.000 0.617 729 Y N 2.393 122.770 120.300 0.128 0.000 2.376 729 Y HA 0.337 4.878 4.550 -0.015 0.000 0.326 729 Y C 0.176 176.173 175.900 0.161 0.000 0.970 729 Y CA -1.100 56.989 58.100 -0.018 0.000 1.248 729 Y CB 1.479 39.916 38.460 -0.039 0.000 1.117 729 Y HN 0.407 nan 8.280 nan 0.000 0.476 730 S N 3.415 119.279 115.700 0.273 0.000 2.537 730 S HA 0.011 4.472 4.470 -0.015 0.000 0.286 730 S C 0.224 174.944 174.600 0.200 0.000 1.299 730 S CA -0.042 58.335 58.200 0.296 0.000 1.067 730 S CB 0.290 63.612 63.200 0.203 0.000 0.864 730 S HN 0.848 nan 8.310 nan 0.000 0.494 731 D N -0.212 120.299 120.400 0.186 0.000 2.705 731 D HA -0.128 4.504 4.640 -0.015 0.000 0.187 731 D C -0.007 176.457 176.300 0.273 0.000 1.015 731 D CA 1.485 55.555 54.000 0.116 0.000 1.030 731 D CB -0.591 40.113 40.800 -0.160 0.000 1.100 731 D HN 0.553 nan 8.370 nan 0.000 0.439 732 Q N 0.817 120.767 119.800 0.249 0.000 2.368 732 Q HA 0.413 4.744 4.340 -0.015 0.000 0.237 732 Q C 0.914 177.085 176.000 0.286 0.000 0.987 732 Q CA 0.069 56.022 55.803 0.250 0.000 0.896 732 Q CB 0.880 29.734 28.738 0.194 0.000 1.241 732 Q HN 0.705 nan 8.270 nan 0.000 0.485 733 N N -1.534 117.343 118.700 0.294 0.000 2.879 733 N HA 0.128 4.860 4.740 -0.015 0.000 0.329 733 N C 0.661 176.395 175.510 0.373 0.000 1.337 733 N CA -0.563 52.693 53.050 0.344 0.000 0.844 733 N CB 0.377 39.094 38.487 0.383 0.000 1.236 733 N HN 0.452 nan 8.380 nan 0.000 0.601 734 H N -1.316 117.948 119.070 0.324 0.000 2.422 734 H HA 0.028 4.575 4.556 -0.015 0.000 0.298 734 H C 1.910 177.565 175.328 0.546 0.000 1.098 734 H CA 2.290 58.570 56.048 0.386 0.000 1.315 734 H CB -0.562 29.429 29.762 0.382 0.000 1.382 734 H HN 0.727 nan 8.280 nan 0.000 0.523 735 G N -0.430 108.637 108.800 0.445 0.000 2.448 735 G HA2 -0.051 3.901 3.960 -0.015 0.000 0.218 735 G HA3 -0.051 3.901 3.960 -0.015 0.000 0.218 735 G C 0.266 175.431 174.900 0.441 0.000 1.135 735 G CA 0.320 45.641 45.100 0.369 0.000 0.784 735 G HN 0.471 nan 8.290 nan 0.000 0.543 736 L N 1.121 122.519 121.223 0.291 0.000 3.709 736 L HA -0.192 4.139 4.340 -0.015 0.000 0.626 736 L C 0.855 177.781 176.870 0.094 0.000 1.119 736 L CA -0.453 54.448 54.840 0.101 0.000 0.996 736 L CB -1.897 40.100 42.059 -0.103 0.000 1.327 736 L HN 0.206 nan 8.230 nan 0.000 0.808 737 S N 0.497 116.254 115.700 0.094 0.000 2.484 737 S HA 0.644 5.106 4.470 -0.015 0.000 0.256 737 S C 1.354 175.979 174.600 0.042 0.000 1.223 737 S CA 0.096 58.347 58.200 0.085 0.000 1.002 737 S CB 0.769 64.033 63.200 0.107 0.000 1.043 737 S HN 0.965 nan 8.310 nan 0.000 0.517 738 G N 0.659 109.487 108.800 0.046 0.000 2.651 738 G HA2 -0.296 3.655 3.960 -0.015 0.000 0.387 738 G HA3 -0.296 3.655 3.960 -0.015 0.000 0.387 738 G C 0.621 175.529 174.900 0.014 0.000 1.291 738 G CA 1.285 46.404 45.100 0.031 0.000 0.958 738 G HN 0.552 nan 8.290 nan 0.000 0.549 739 L N 0.982 122.211 121.223 0.011 0.000 2.492 739 L HA 0.165 4.496 4.340 -0.015 0.000 0.223 739 L C 3.007 179.872 176.870 -0.010 0.000 1.132 739 L CA 1.536 56.383 54.840 0.011 0.000 0.850 739 L CB -0.140 41.935 42.059 0.026 0.000 0.966 739 L HN 0.447 nan 8.230 nan 0.000 0.454 740 S N -0.220 115.435 115.700 -0.076 0.000 2.359 740 S HA -0.256 4.205 4.470 -0.015 0.000 0.222 740 S C 2.064 176.494 174.600 -0.283 0.000 1.038 740 S CA 2.205 60.235 58.200 -0.283 0.000 1.051 740 S CB -0.502 62.482 63.200 -0.359 0.000 0.944 740 S HN 0.530 nan 8.310 nan 0.000 0.433 741 T N 2.516 116.994 114.554 -0.128 0.000 2.649 741 T HA -0.217 4.124 4.350 -0.015 0.000 0.268 741 T C 1.616 176.355 174.700 0.066 0.000 1.036 741 T CA 1.875 63.984 62.100 0.016 0.000 1.157 741 T CB -0.853 68.082 68.868 0.110 0.000 0.861 741 T HN 0.345 nan 8.240 nan 0.000 0.445 742 N N 0.249 118.966 118.700 0.029 0.000 2.007 742 N HA -0.122 4.609 4.740 -0.015 0.000 0.197 742 N C 1.701 177.219 175.510 0.012 0.000 1.050 742 N CA 1.742 54.805 53.050 0.020 0.000 0.856 742 N CB -0.606 37.888 38.487 0.012 0.000 1.050 742 N HN 0.575 nan 8.380 nan 0.000 0.423 743 H N -0.315 118.719 119.070 -0.060 0.000 2.289 743 H HA -0.134 4.413 4.556 -0.015 0.000 0.296 743 H C 1.998 177.307 175.328 -0.031 0.000 1.091 743 H CA 1.763 57.799 56.048 -0.020 0.000 1.274 743 H CB -0.442 29.358 29.762 0.063 0.000 1.364 743 H HN 0.144 nan 8.280 nan 0.000 0.490 744 L N -0.065 121.130 121.223 -0.046 0.000 1.978 744 L HA -0.285 4.046 4.340 -0.015 0.000 0.218 744 L C 1.765 178.383 176.870 -0.420 0.000 1.075 744 L CA 1.962 56.650 54.840 -0.253 0.000 0.767 744 L CB -1.193 40.513 42.059 -0.588 0.000 0.890 744 L HN 0.396 nan 8.230 nan 0.000 0.434 745 Y N -0.473 119.601 120.300 -0.377 0.000 2.314 745 Y HA -0.120 4.421 4.550 -0.015 0.000 0.293 745 Y C 2.471 178.147 175.900 -0.372 0.000 1.129 745 Y CA 1.485 59.209 58.100 -0.626 0.000 1.201 745 Y CB -0.719 37.301 38.460 -0.733 0.000 0.999 745 Y HN 0.257 nan 8.280 nan 0.000 0.541 746 T N -1.748 112.724 114.554 -0.137 0.000 2.867 746 T HA -0.213 4.128 4.350 -0.015 0.000 0.268 746 T C 1.630 176.207 174.700 -0.205 0.000 1.057 746 T CA 1.639 63.614 62.100 -0.210 0.000 1.136 746 T CB -0.380 68.366 68.868 -0.203 0.000 0.874 746 T HN 0.554 nan 8.240 nan 0.000 0.466 747 H N 0.642 119.588 119.070 -0.206 0.000 2.343 747 H HA 0.115 4.662 4.556 -0.015 0.000 0.303 747 H C 2.307 177.626 175.328 -0.014 0.000 1.068 747 H CA 0.886 56.890 56.048 -0.074 0.000 1.359 747 H CB -0.042 29.685 29.762 -0.059 0.000 1.402 747 H HN 0.256 nan 8.280 nan 0.000 0.515 748 M N -0.052 119.466 119.600 -0.137 0.000 2.149 748 M HA -0.157 4.314 4.480 -0.015 0.000 0.261 748 M C 2.292 178.692 176.300 0.166 0.000 1.064 748 M CA 1.659 56.887 55.300 -0.119 0.000 1.102 748 M CB -0.215 32.120 32.600 -0.442 0.000 1.369 748 M HN 0.233 nan 8.290 nan 0.000 0.408 749 T N -0.933 113.726 114.554 0.176 0.000 2.708 749 T HA -0.151 4.190 4.350 -0.015 0.000 0.266 749 T C 1.662 176.466 174.700 0.173 0.000 1.037 749 T CA 1.235 63.511 62.100 0.294 0.000 1.146 749 T CB -0.419 68.622 68.868 0.289 0.000 0.865 749 T HN 0.355 nan 8.240 nan 0.000 0.435 750 H N 0.078 119.242 119.070 0.156 0.000 2.319 750 H HA -0.012 4.536 4.556 -0.014 0.000 0.299 750 H C 2.056 177.426 175.328 0.069 0.000 1.092 750 H CA 1.148 57.259 56.048 0.105 0.000 1.302 750 H CB -0.982 28.843 29.762 0.106 0.000 1.373 750 H HN 0.377 nan 8.280 nan 0.000 0.497 751 F N 0.951 120.923 119.950 0.036 0.000 2.091 751 F HA -0.243 4.275 4.527 -0.015 0.000 0.299 751 F C 2.548 178.309 175.800 -0.065 0.000 1.103 751 F CA 1.235 59.200 58.000 -0.058 0.000 1.228 751 F CB -0.414 38.500 39.000 -0.143 0.000 0.984 751 F HN 0.019 nan 8.300 nan 0.000 0.477 752 L N 0.101 121.367 121.223 0.072 0.000 2.027 752 L HA -0.214 4.118 4.340 -0.015 0.000 0.206 752 L C 2.448 179.149 176.870 -0.282 0.000 1.074 752 L CA 1.409 56.152 54.840 -0.161 0.000 0.745 752 L CB -0.577 41.484 42.059 0.003 0.000 0.898 752 L HN 0.113 nan 8.230 nan 0.000 0.433 753 K N -0.370 120.002 120.400 -0.046 0.000 2.209 753 K HA -0.244 4.067 4.320 -0.015 0.000 0.204 753 K C 1.906 178.503 176.600 -0.006 0.000 1.048 753 K CA 1.184 57.491 56.287 0.033 0.000 0.940 753 K CB -0.034 32.538 32.500 0.119 0.000 0.729 753 K HN 0.314 nan 8.250 nan 0.000 0.451 754 Q N 0.916 120.660 119.800 -0.093 0.000 2.020 754 Q HA -0.123 4.208 4.340 -0.015 0.000 0.198 754 Q C 2.236 178.132 176.000 -0.172 0.000 0.974 754 Q CA 1.612 57.337 55.803 -0.129 0.000 0.829 754 Q CB -0.556 28.064 28.738 -0.195 0.000 0.894 754 Q HN 0.303 nan 8.270 nan 0.000 0.433 755 c N -0.138 118.246 118.600 -0.359 0.000 2.410 755 c HA -0.039 4.522 4.570 -0.015 0.000 0.281 755 c C 1.526 175.613 174.090 -0.004 0.000 1.318 755 c CA 0.544 56.680 56.329 -0.322 0.000 1.776 755 c CB -1.176 40.994 42.510 -0.567 0.000 1.942 755 c HN 0.626 nan 8.230 nan 0.000 0.508 756 F N 2.037 121.975 119.950 -0.020 0.000 2.730 756 F HA 0.191 4.709 4.527 -0.015 0.000 0.295 756 F C 1.394 177.198 175.800 0.007 0.000 1.143 756 F CA -0.168 57.840 58.000 0.013 0.000 1.367 756 F CB -0.394 38.626 39.000 0.033 0.000 0.970 756 F HN 0.352 nan 8.300 nan 0.000 0.514 757 S N 0.000 115.790 115.700 0.151 0.000 2.498 757 S HA 0.000 4.461 4.470 -0.015 0.000 0.327 757 S CA 0.000 58.250 58.200 0.084 0.000 1.107 757 S CB 0.000 63.239 63.200 0.065 0.000 0.593 757 S HN 0.000 nan 8.310 nan 0.000 0.517