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 3g0c_1_B DATA FIRST_RESID 36 DATA SEQUENCE HHHSRKTYTL TDYLKNTYRL KLYSLRWISD HEYLYKQXXN ILVFNAEYGN DATA SEQUENCE SSVFLENSTF DEFGHSINDY SISPDGQFIL LEYNYVKQWR HSYTASYDIY DATA SEQUENCE DLNKRQLITE ERIPNNTQWV TWSPVGHKLA YVWNNDIYVK IEPNLPSYRI DATA SEQUENCE TWTGKEDIIY NGITDWVYEE EVFSAYSALW WSPNGTFLAY AQFNDTEVPL DATA SEQUENCE IEYSFYSDES LQYPKTVRVP YPKAGAVNPT VKFFVVNTDS LSSVTNATSI DATA SEQUENCE QITAPASMLI GDHYLCDVTW ATQERISLQW LRRIQNYSVM DIcDYDESSG DATA SEQUENCE RWNcLVARQH IEMSTTGWVG RFRPSEPHFT LDGNSFYKII SNEEGYRHIc DATA SEQUENCE YFQIDKKDcT FITKGTWEVI GIEALTSDYL YYISNEYKGM PGGRNLYKIQ DATA SEQUENCE LSDYTKVTCL SCELNPERcQ YYSVSFSKEA KYYQLRcSGP GLPLYTLHSS DATA SEQUENCE VNDKGLRVLE DNSALDKMLQ NVQMPSKKLD FIILNETKFW YQMILPPHFD DATA SEQUENCE KSKKYPLLLD VYAGPCSQKA DTVFRLNWAT YLASTENIIV ASFDGRGSGY DATA SEQUENCE QGDKIMHAIN RRLGTFEVED QIEAARQFSK MGFVDNKRIA IWGWSYGGYV DATA SEQUENCE TSMVLGSGSG VFKcGIAVAP VSRWEYYDSV YTERYMGLPT PEDNLDHYRN DATA SEQUENCE STVMSRAENF KQVEYLLIHG TADDNVHFQQ SAQISKALVD VGVDFQAMWY DATA SEQUENCE TDEDHGIASS TAHQHIYTHM SHFIKQcFSL P 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 36 H HA 0.000 nan 4.556 nan 0.000 0.296 36 H C 0.000 175.333 175.328 0.008 0.000 0.993 36 H CA 0.000 56.014 56.048 -0.056 0.000 1.023 36 H CB 0.000 29.731 29.762 -0.052 0.000 1.292 37 H N 0.328 119.385 119.070 -0.021 0.000 3.179 37 H HA -0.191 4.249 4.556 -0.192 0.000 0.250 37 H C 0.751 176.172 175.328 0.155 0.000 1.142 37 H CA 1.553 57.650 56.048 0.081 0.000 1.165 37 H CB -2.800 26.959 29.762 -0.006 0.000 1.253 37 H HN 0.967 nan 8.280 nan 0.000 0.325 38 H N 0.271 119.513 119.070 0.287 0.000 2.852 38 H HA 0.445 4.887 4.556 -0.191 0.000 0.362 38 H C 0.714 176.148 175.328 0.176 0.000 1.122 38 H CA 0.625 56.787 56.048 0.190 0.000 1.419 38 H CB 0.482 30.323 29.762 0.132 0.000 1.401 38 H HN 0.300 nan 8.280 nan 0.000 0.609 39 S N 1.479 117.272 115.700 0.155 0.000 2.498 39 S HA 0.427 4.783 4.470 -0.191 0.000 0.281 39 S C 1.654 176.332 174.600 0.130 0.000 1.265 39 S CA 0.364 58.649 58.200 0.142 0.000 1.071 39 S CB 0.554 63.832 63.200 0.131 0.000 0.894 39 S HN 0.952 nan 8.310 nan 0.000 0.491 40 R N 3.202 123.768 120.500 0.111 0.000 2.412 40 R HA 0.303 4.529 4.340 -0.191 0.000 0.212 40 R C 0.529 176.883 176.300 0.091 0.000 0.878 40 R CA 0.290 56.440 56.100 0.083 0.000 1.022 40 R CB -0.446 29.879 30.300 0.042 0.000 1.265 40 R HN 0.528 nan 8.270 nan 0.000 0.620 41 K N 1.616 122.080 120.400 0.106 0.000 2.380 41 K HA 0.325 4.531 4.320 -0.191 0.000 0.267 41 K C 0.279 176.948 176.600 0.115 0.000 0.990 41 K CA 1.020 57.379 56.287 0.119 0.000 0.946 41 K CB 1.237 33.826 32.500 0.148 0.000 0.937 41 K HN 0.554 nan 8.250 nan 0.000 0.491 42 T N -1.647 112.986 114.554 0.130 0.000 2.901 42 T HA 0.279 4.514 4.350 -0.191 0.000 0.293 42 T C -1.278 173.541 174.700 0.197 0.000 1.084 42 T CA -0.812 61.371 62.100 0.139 0.000 1.008 42 T CB 0.554 69.499 68.868 0.127 0.000 1.170 42 T HN 0.413 nan 8.240 nan 0.000 0.509 43 Y N 2.976 123.322 120.300 0.077 0.000 2.539 43 Y HA 0.416 4.845 4.550 -0.201 0.000 0.352 43 Y C 0.935 176.981 175.900 0.243 0.000 1.004 43 Y CA -0.199 57.976 58.100 0.126 0.000 1.278 43 Y CB -0.033 38.455 38.460 0.047 0.000 1.136 43 Y HN 1.020 nan 8.280 nan 0.000 0.528 44 T N 2.355 116.879 114.554 -0.051 0.000 2.862 44 T HA 0.143 4.379 4.350 -0.191 0.000 0.276 44 T C 1.002 175.588 174.700 -0.189 0.000 0.974 44 T CA -0.744 61.383 62.100 0.046 0.000 0.966 44 T CB 1.204 70.087 68.868 0.025 0.000 1.072 44 T HN 0.662 nan 8.240 nan 0.000 0.538 45 L N 1.287 122.266 121.223 -0.408 0.000 2.012 45 L HA -0.032 4.194 4.340 -0.191 0.000 0.210 45 L C 2.690 179.410 176.870 -0.250 0.000 1.073 45 L CA 2.483 56.953 54.840 -0.616 0.000 0.748 45 L CB -1.554 40.057 42.059 -0.747 0.000 0.891 45 L HN 1.005 nan 8.230 nan 0.000 0.431 46 T N -1.510 112.937 114.554 -0.180 0.000 2.746 46 T HA -0.176 4.059 4.350 -0.191 0.000 0.267 46 T C 1.564 176.187 174.700 -0.130 0.000 1.039 46 T CA 1.318 63.344 62.100 -0.123 0.000 1.142 46 T CB -0.568 68.253 68.868 -0.078 0.000 0.866 46 T HN 0.327 nan 8.240 nan 0.000 0.444 47 D N 0.308 120.607 120.400 -0.169 0.000 2.123 47 D HA -0.104 4.422 4.640 -0.191 0.000 0.196 47 D C 1.721 177.935 176.300 -0.143 0.000 0.992 47 D CA 1.084 54.970 54.000 -0.189 0.000 0.833 47 D CB -0.450 40.163 40.800 -0.312 0.000 0.954 47 D HN 0.465 nan 8.370 nan 0.000 0.455 48 Y N 1.039 121.135 120.300 -0.341 0.000 2.200 48 Y HA -0.038 4.432 4.550 -0.132 0.000 0.290 48 Y C 2.035 177.933 175.900 -0.004 0.000 1.137 48 Y CA 1.144 59.208 58.100 -0.059 0.000 1.163 48 Y CB -0.382 38.088 38.460 0.017 0.000 0.988 48 Y HN -0.073 nan 8.280 nan 0.000 0.518 49 L N -0.230 120.828 121.223 -0.275 0.000 2.270 49 L HA -0.051 4.175 4.340 -0.191 0.000 0.210 49 L C 1.664 178.434 176.870 -0.168 0.000 1.104 49 L CA 0.806 55.463 54.840 -0.304 0.000 0.804 49 L CB -0.268 41.675 42.059 -0.194 0.000 0.937 49 L HN -0.024 nan 8.230 nan 0.000 0.450 50 K N 0.009 120.337 120.400 -0.120 0.000 2.358 50 K HA 0.155 4.360 4.320 -0.191 0.000 0.197 50 K C -0.164 176.399 176.600 -0.063 0.000 1.025 50 K CA -0.133 56.105 56.287 -0.080 0.000 1.104 50 K CB 0.050 32.507 32.500 -0.072 0.000 0.855 50 K HN 0.148 nan 8.250 nan 0.000 0.531 51 N N 0.813 119.486 118.700 -0.044 0.000 2.727 51 N HA -0.165 4.460 4.740 -0.191 0.000 0.251 51 N C 0.228 175.735 175.510 -0.005 0.000 1.040 51 N CA 0.704 53.765 53.050 0.018 0.000 0.712 51 N CB -1.053 37.437 38.487 0.004 0.000 0.912 51 N HN 0.095 nan 8.380 nan 0.000 0.545 52 T N -1.069 113.454 114.554 -0.052 0.000 2.821 52 T HA -0.136 4.100 4.350 -0.191 0.000 0.267 52 T C 0.285 174.776 174.700 -0.350 0.000 1.046 52 T CA 1.292 63.239 62.100 -0.255 0.000 1.139 52 T CB -0.057 68.571 68.868 -0.401 0.000 0.871 52 T HN 0.351 nan 8.240 nan 0.000 0.454 53 Y N 1.443 121.850 120.300 0.178 0.000 2.402 53 Y HA 0.558 4.997 4.550 -0.185 0.000 0.332 53 Y C 0.239 176.255 175.900 0.194 0.000 0.960 53 Y CA -1.283 56.940 58.100 0.205 0.000 1.228 53 Y CB 0.682 39.319 38.460 0.295 0.000 1.120 53 Y HN -0.099 nan 8.280 nan 0.000 0.491 54 R N 3.431 124.074 120.500 0.239 0.000 2.393 54 R HA 0.582 4.807 4.340 -0.191 0.000 0.310 54 R C -1.396 175.009 176.300 0.176 0.000 0.968 54 R CA -0.551 55.656 56.100 0.178 0.000 0.867 54 R CB 0.756 31.116 30.300 0.100 0.000 1.124 54 R HN 0.745 nan 8.270 nan 0.000 0.450 55 L N 4.791 126.121 121.223 0.180 0.000 2.369 55 L HA 0.258 4.483 4.340 -0.191 0.000 0.279 55 L C 0.307 177.252 176.870 0.126 0.000 1.108 55 L CA -0.117 54.827 54.840 0.173 0.000 0.852 55 L CB 0.770 42.953 42.059 0.206 0.000 1.169 55 L HN 0.553 nan 8.230 nan 0.000 0.452 56 K N 3.883 124.347 120.400 0.106 0.000 2.270 56 K HA 0.525 4.731 4.320 -0.191 0.000 0.276 56 K C -0.822 175.788 176.600 0.016 0.000 1.023 56 K CA -0.363 55.957 56.287 0.055 0.000 0.955 56 K CB 0.888 33.417 32.500 0.049 0.000 0.975 56 K HN 0.360 nan 8.250 nan 0.000 0.471 57 L N 0.175 121.336 121.223 -0.105 0.000 2.431 57 L HA 0.433 4.658 4.340 -0.191 0.000 0.266 57 L C -1.286 175.310 176.870 -0.457 0.000 0.978 57 L CA -0.909 53.703 54.840 -0.379 0.000 0.822 57 L CB 0.993 43.024 42.059 -0.046 0.000 1.310 57 L HN 0.449 nan 8.230 nan 0.000 0.409 58 Y N 1.992 121.635 120.300 -1.095 0.000 2.595 58 Y HA 0.609 5.044 4.550 -0.192 0.000 0.336 58 Y C 0.324 176.079 175.900 -0.242 0.000 0.996 58 Y CA -0.064 57.725 58.100 -0.518 0.000 1.260 58 Y CB 0.959 39.048 38.460 -0.618 0.000 1.108 58 Y HN 0.851 nan 8.280 nan 0.000 0.509 59 S N 7.239 122.883 115.700 -0.093 0.000 2.429 59 S HA 0.735 5.091 4.470 -0.191 0.000 0.302 59 S C -0.983 173.612 174.600 -0.009 0.000 1.115 59 S CA -0.672 57.521 58.200 -0.013 0.000 1.095 59 S CB 0.277 63.475 63.200 -0.003 0.000 0.987 59 S HN 0.634 nan 8.310 nan 0.000 0.474 60 L N 1.607 122.804 121.223 -0.044 0.000 2.257 60 L HA 0.846 5.072 4.340 -0.191 0.000 0.257 60 L C -0.521 176.300 176.870 -0.081 0.000 1.033 60 L CA -1.098 53.682 54.840 -0.100 0.000 0.835 60 L CB 1.403 43.170 42.059 -0.488 0.000 1.398 60 L HN 0.753 nan 8.230 nan 0.000 0.429 61 R N -0.317 120.145 120.500 -0.062 0.000 2.518 61 R HA 0.353 4.579 4.340 -0.191 0.000 0.296 61 R C -2.021 174.308 176.300 0.048 0.000 1.080 61 R CA -0.470 55.646 56.100 0.027 0.000 0.922 61 R CB 0.292 30.640 30.300 0.079 0.000 1.184 61 R HN 0.737 nan 8.270 nan 0.000 0.445 62 W N 3.152 124.541 121.300 0.148 0.000 2.264 62 W HA 0.074 4.619 4.660 -0.191 0.000 0.331 62 W C 1.236 177.817 176.519 0.104 0.000 1.364 62 W CA -0.298 57.141 57.345 0.156 0.000 1.253 62 W CB 0.441 29.990 29.460 0.148 0.000 1.215 62 W HN 0.509 nan 8.180 nan 0.000 0.561 63 I N 1.928 122.674 120.570 0.293 0.000 4.187 63 I HA 0.039 4.095 4.170 -0.191 0.000 0.326 63 I C 0.803 176.986 176.117 0.110 0.000 1.302 63 I CA 0.737 62.118 61.300 0.134 0.000 1.196 63 I CB -0.508 37.489 38.000 -0.005 0.000 1.095 63 I HN 0.482 nan 8.210 nan 0.000 0.411 64 S N -1.640 114.153 115.700 0.155 0.000 2.929 64 S HA 0.281 4.637 4.470 -0.191 0.000 0.311 64 S C 0.358 175.001 174.600 0.072 0.000 1.213 64 S CA -0.356 57.869 58.200 0.041 0.000 0.908 64 S CB 1.448 64.573 63.200 -0.124 0.000 1.287 64 S HN -0.072 nan 8.310 nan 0.000 0.594 65 D N 0.081 120.439 120.400 -0.069 0.000 2.317 65 D HA 0.088 4.614 4.640 -0.191 0.000 0.211 65 D C 0.935 177.410 176.300 0.290 0.000 0.966 65 D CA 1.279 55.342 54.000 0.105 0.000 0.876 65 D CB -0.031 40.922 40.800 0.255 0.000 0.927 65 D HN 0.680 nan 8.370 nan 0.000 0.519 66 H N -2.183 117.055 119.070 0.280 0.000 3.297 66 H HA 0.447 4.888 4.556 -0.191 0.000 0.254 66 H C -0.397 175.030 175.328 0.164 0.000 1.192 66 H CA -0.324 55.841 56.048 0.195 0.000 1.058 66 H CB 0.052 29.956 29.762 0.237 0.000 1.777 66 H HN -0.005 nan 8.280 nan 0.000 0.696 67 E N 1.087 121.415 120.200 0.213 0.000 2.367 67 E HA 0.474 4.709 4.350 -0.191 0.000 0.273 67 E C -1.543 175.184 176.600 0.211 0.000 0.903 67 E CA -1.127 55.342 56.400 0.116 0.000 0.764 67 E CB 2.954 32.651 29.700 -0.005 0.000 1.252 67 E HN 0.278 nan 8.360 nan 0.000 0.446 68 Y N -0.545 119.721 120.300 -0.058 0.000 2.597 68 Y HA 0.635 5.071 4.550 -0.190 0.000 0.340 68 Y C -1.846 174.014 175.900 -0.065 0.000 1.097 68 Y CA -1.355 56.624 58.100 -0.201 0.000 1.037 68 Y CB 0.845 38.855 38.460 -0.750 0.000 1.305 68 Y HN 0.358 nan 8.280 nan 0.000 0.463 69 L N 3.193 124.516 121.223 0.167 0.000 2.322 69 L HA 0.533 4.759 4.340 -0.191 0.000 0.279 69 L C -1.286 175.796 176.870 0.353 0.000 1.036 69 L CA -0.950 53.987 54.840 0.161 0.000 0.807 69 L CB 1.557 43.648 42.059 0.054 0.000 1.226 69 L HN 0.791 nan 8.230 nan 0.000 0.433 70 Y N 2.407 122.824 120.300 0.194 0.000 2.479 70 Y HA 0.375 4.810 4.550 -0.192 0.000 0.338 70 Y C -0.763 175.191 175.900 0.089 0.000 1.055 70 Y CA -1.171 56.995 58.100 0.110 0.000 1.023 70 Y CB 1.766 40.279 38.460 0.089 0.000 1.287 70 Y HN 0.453 nan 8.280 nan 0.000 0.447 71 K N 4.325 124.321 120.400 -0.673 0.000 2.143 71 K HA 0.482 4.687 4.320 -0.191 0.000 0.272 71 K C -0.801 175.465 176.600 -0.557 0.000 1.001 71 K CA -0.357 55.656 56.287 -0.457 0.000 0.915 71 K CB 0.844 33.186 32.500 -0.263 0.000 1.047 71 K HN 0.736 nan 8.250 nan 0.000 0.458 76 I N 1.850 122.378 120.570 -0.072 0.000 2.478 76 I HA 0.395 4.450 4.170 -0.191 0.000 0.287 76 I C -0.760 175.375 176.117 0.029 0.000 1.042 76 I CA -0.522 60.752 61.300 -0.044 0.000 1.067 76 I CB 1.844 39.770 38.000 -0.124 0.000 1.233 76 I HN 0.195 nan 8.210 nan 0.000 0.431 77 L N 6.290 127.547 121.223 0.055 0.000 2.330 77 L HA 0.642 4.867 4.340 -0.191 0.000 0.271 77 L C -0.264 176.572 176.870 -0.056 0.000 1.013 77 L CA -0.966 53.852 54.840 -0.037 0.000 0.816 77 L CB 2.085 44.043 42.059 -0.170 0.000 1.287 77 L HN 0.210 nan 8.230 nan 0.000 0.435 78 V N 0.907 120.712 119.914 -0.181 0.000 2.472 78 V HA 0.467 4.472 4.120 -0.191 0.000 0.290 78 V C -0.551 175.288 176.094 -0.426 0.000 1.037 78 V CA -0.607 61.563 62.300 -0.218 0.000 0.908 78 V CB 1.263 33.008 31.823 -0.130 0.000 0.985 78 V HN 0.390 nan 8.190 nan 0.000 0.454 79 F N 2.108 121.772 119.950 -0.476 0.000 2.482 79 F HA 0.441 4.854 4.527 -0.190 0.000 0.331 79 F C 0.404 175.905 175.800 -0.497 0.000 1.115 79 F CA -0.629 57.020 58.000 -0.585 0.000 0.955 79 F CB 1.656 40.012 39.000 -1.074 0.000 1.136 79 F HN 0.498 nan 8.300 nan 0.000 0.452 80 N N 2.076 120.723 118.700 -0.087 0.000 2.420 80 N HA 0.314 4.939 4.740 -0.191 0.000 0.262 80 N C 0.756 176.265 175.510 -0.001 0.000 1.144 80 N CA 0.210 53.262 53.050 0.003 0.000 0.952 80 N CB 1.385 39.932 38.487 0.101 0.000 1.081 80 N HN 0.729 nan 8.380 nan 0.000 0.480 81 A N 3.406 126.191 122.820 -0.058 0.000 1.933 81 A HA -0.151 4.055 4.320 -0.191 0.000 0.218 81 A C 1.965 179.459 177.584 -0.150 0.000 1.175 81 A CA 1.127 53.096 52.037 -0.114 0.000 0.628 81 A CB -0.429 18.362 19.000 -0.349 0.000 0.814 81 A HN 0.700 nan 8.150 nan 0.000 0.444 82 E N -0.798 119.329 120.200 -0.122 0.000 2.015 82 E HA -0.139 4.097 4.350 -0.191 0.000 0.191 82 E C 1.685 178.169 176.600 -0.193 0.000 0.991 82 E CA 1.513 57.868 56.400 -0.075 0.000 0.802 82 E CB -0.342 29.317 29.700 -0.069 0.000 0.759 82 E HN 0.758 nan 8.360 nan 0.000 0.447 83 Y N -1.583 118.741 120.300 0.041 0.000 2.479 83 Y HA 0.200 4.636 4.550 -0.191 0.000 0.283 83 Y C 1.820 177.737 175.900 0.030 0.000 1.109 83 Y CA 0.803 58.922 58.100 0.033 0.000 1.239 83 Y CB 0.563 39.038 38.460 0.024 0.000 1.108 83 Y HN 0.254 nan 8.280 nan 0.000 0.548 84 G N 0.142 109.047 108.800 0.177 0.000 2.232 84 G HA2 -0.292 3.554 3.960 -0.191 0.000 0.226 84 G HA3 -0.292 3.554 3.960 -0.191 0.000 0.226 84 G C -0.023 174.972 174.900 0.157 0.000 0.996 84 G CA -0.068 45.129 45.100 0.162 0.000 0.626 84 G HN 0.415 nan 8.290 nan 0.000 0.509 85 N N 1.173 119.937 118.700 0.108 0.000 2.412 85 N HA 0.361 4.987 4.740 -0.191 0.000 0.258 85 N C -0.098 175.350 175.510 -0.104 0.000 1.236 85 N CA 1.145 54.199 53.050 0.006 0.000 0.882 85 N CB 1.127 39.604 38.487 -0.017 0.000 1.066 85 N HN 1.100 nan 8.380 nan 0.000 0.465 86 S N 0.482 116.046 115.700 -0.228 0.000 2.538 86 S HA 0.619 4.975 4.470 -0.191 0.000 0.288 86 S C -0.598 173.811 174.600 -0.317 0.000 1.108 86 S CA -0.885 57.024 58.200 -0.485 0.000 0.971 86 S CB 1.220 63.714 63.200 -1.176 0.000 1.041 86 S HN 0.740 nan 8.310 nan 0.000 0.483 87 S N 1.460 117.002 115.700 -0.263 0.000 2.664 87 S HA 0.720 5.075 4.470 -0.191 0.000 0.304 87 S C -0.376 174.139 174.600 -0.142 0.000 1.099 87 S CA -0.928 57.176 58.200 -0.160 0.000 1.003 87 S CB 1.133 64.276 63.200 -0.096 0.000 1.092 87 S HN 0.776 nan 8.310 nan 0.000 0.525 88 V N 2.647 122.502 119.914 -0.099 0.000 2.470 88 V HA 0.145 4.150 4.120 -0.191 0.000 0.276 88 V C 0.516 176.599 176.094 -0.018 0.000 1.040 88 V CA -0.008 62.252 62.300 -0.067 0.000 1.008 88 V CB -0.158 31.618 31.823 -0.078 0.000 0.990 88 V HN 0.944 nan 8.190 nan 0.000 0.477 89 F N 5.287 125.160 119.950 -0.128 0.000 2.270 89 F HA 0.315 4.728 4.527 -0.190 0.000 0.295 89 F C 0.584 176.321 175.800 -0.105 0.000 1.087 89 F CA 0.768 58.706 58.000 -0.105 0.000 1.365 89 F CB 0.569 39.514 39.000 -0.091 0.000 1.056 89 F HN 0.367 nan 8.300 nan 0.000 0.506 90 L N 1.217 122.421 121.223 -0.032 0.000 2.596 90 L HA 0.313 4.538 4.340 -0.191 0.000 0.265 90 L C -1.172 175.627 176.870 -0.119 0.000 0.962 90 L CA -0.473 54.289 54.840 -0.129 0.000 0.891 90 L CB 1.367 43.389 42.059 -0.062 0.000 1.248 90 L HN -0.128 nan 8.230 nan 0.000 0.410 91 E N 1.801 121.905 120.200 -0.160 0.000 2.373 91 E HA 0.134 4.370 4.350 -0.191 0.000 0.267 91 E C 0.902 177.414 176.600 -0.147 0.000 1.032 91 E CA 0.068 56.383 56.400 -0.142 0.000 0.889 91 E CB 0.491 30.101 29.700 -0.151 0.000 0.984 91 E HN 0.593 nan 8.360 nan 0.000 0.425 92 N N 0.888 119.523 118.700 -0.108 0.000 2.430 92 N HA -0.206 4.420 4.740 -0.191 0.000 0.186 92 N C 0.928 176.379 175.510 -0.097 0.000 1.032 92 N CA 1.393 54.392 53.050 -0.086 0.000 0.893 92 N CB -0.352 38.095 38.487 -0.066 0.000 0.957 92 N HN 0.350 nan 8.380 nan 0.000 0.442 93 S N -1.637 113.983 115.700 -0.133 0.000 2.496 93 S HA 0.006 4.362 4.470 -0.191 0.000 0.224 93 S C 1.563 176.031 174.600 -0.220 0.000 0.996 93 S CA 0.582 58.699 58.200 -0.138 0.000 0.927 93 S CB -0.850 62.278 63.200 -0.120 0.000 0.774 93 S HN 0.316 nan 8.310 nan 0.000 0.524 94 T N 1.442 115.764 114.554 -0.386 0.000 2.833 94 T HA 0.055 4.291 4.350 -0.191 0.000 0.269 94 T C 0.169 174.331 174.700 -0.897 0.000 1.054 94 T CA 0.943 62.605 62.100 -0.731 0.000 1.135 94 T CB -0.458 67.737 68.868 -1.122 0.000 0.869 94 T HN 0.539 nan 8.240 nan 0.000 0.466 95 F N 1.160 121.009 119.950 -0.167 0.000 2.893 95 F HA 0.417 4.830 4.527 -0.191 0.000 0.340 95 F C 0.629 176.425 175.800 -0.007 0.000 1.300 95 F CA -1.121 56.811 58.000 -0.115 0.000 1.227 95 F CB 0.328 39.126 39.000 -0.336 0.000 1.044 95 F HN -0.046 nan 8.300 nan 0.000 0.512 96 D N -0.197 120.251 120.400 0.080 0.000 2.422 96 D HA 0.010 4.536 4.640 -0.191 0.000 0.218 96 D C 1.741 178.083 176.300 0.071 0.000 1.047 96 D CA 0.578 54.620 54.000 0.070 0.000 0.885 96 D CB 0.274 41.077 40.800 0.005 0.000 1.035 96 D HN 0.229 nan 8.370 nan 0.000 0.502 97 E N 0.428 120.663 120.200 0.059 0.000 2.204 97 E HA -0.081 4.155 4.350 -0.191 0.000 0.194 97 E C 1.557 178.217 176.600 0.100 0.000 0.989 97 E CA 0.179 56.609 56.400 0.050 0.000 0.824 97 E CB -0.343 29.375 29.700 0.031 0.000 0.756 97 E HN 0.234 nan 8.360 nan 0.000 0.477 98 F N 0.350 120.324 119.950 0.039 0.000 2.111 98 F HA -0.294 4.119 4.527 -0.191 0.000 0.300 98 F C 1.880 177.676 175.800 -0.006 0.000 1.088 98 F CA 2.046 60.092 58.000 0.076 0.000 1.243 98 F CB -0.131 38.952 39.000 0.139 0.000 0.996 98 F HN 0.192 nan 8.300 nan 0.000 0.483 99 G N -1.810 106.975 108.800 -0.026 0.000 2.258 99 G HA2 -0.253 3.592 3.960 -0.191 0.000 0.233 99 G HA3 -0.253 3.592 3.960 -0.191 0.000 0.233 99 G C 0.262 174.935 174.900 -0.379 0.000 1.006 99 G CA 0.250 45.180 45.100 -0.283 0.000 0.620 99 G HN 0.565 nan 8.290 nan 0.000 0.511 100 H N 0.178 119.262 119.070 0.023 0.000 2.573 100 H HA 0.618 5.059 4.556 -0.191 0.000 0.351 100 H C -0.467 174.984 175.328 0.205 0.000 1.163 100 H CA -0.031 56.068 56.048 0.084 0.000 1.205 100 H CB 1.762 31.427 29.762 -0.163 0.000 1.605 100 H HN 0.126 nan 8.280 nan 0.000 0.525 101 S N 2.358 118.209 115.700 0.253 0.000 2.455 101 S HA 0.133 4.488 4.470 -0.191 0.000 0.278 101 S C 0.333 175.014 174.600 0.134 0.000 1.216 101 S CA -0.811 57.480 58.200 0.152 0.000 1.055 101 S CB -0.534 62.736 63.200 0.116 0.000 0.939 101 S HN 0.296 nan 8.310 nan 0.000 0.494 102 I N 5.588 126.172 120.570 0.022 0.000 2.363 102 I HA 0.098 4.153 4.170 -0.191 0.000 0.292 102 I C 1.364 177.464 176.117 -0.029 0.000 1.075 102 I CA -0.007 61.258 61.300 -0.058 0.000 1.333 102 I CB 0.348 38.212 38.000 -0.227 0.000 1.415 102 I HN 0.704 nan 8.210 nan 0.000 0.502 103 N N 4.834 123.523 118.700 -0.019 0.000 2.207 103 N HA -0.078 4.548 4.740 -0.191 0.000 0.182 103 N C 0.169 175.621 175.510 -0.098 0.000 1.020 103 N CA 1.309 54.307 53.050 -0.086 0.000 0.858 103 N CB 0.445 38.852 38.487 -0.133 0.000 0.991 103 N HN 0.661 nan 8.380 nan 0.000 0.427 104 D N -2.698 117.669 120.400 -0.055 0.000 2.639 104 D HA 0.214 4.739 4.640 -0.191 0.000 0.271 104 D C -1.602 174.732 176.300 0.058 0.000 1.254 104 D CA -0.533 53.448 54.000 -0.031 0.000 0.810 104 D CB 0.971 41.717 40.800 -0.090 0.000 1.351 104 D HN 0.105 nan 8.370 nan 0.000 0.427 105 Y N -1.286 119.009 120.300 -0.008 0.000 2.605 105 Y HA 0.777 5.212 4.550 -0.191 0.000 0.343 105 Y C -1.051 174.916 175.900 0.112 0.000 1.036 105 Y CA -1.020 57.094 58.100 0.023 0.000 1.065 105 Y CB 1.785 40.233 38.460 -0.020 0.000 1.288 105 Y HN 0.141 nan 8.280 nan 0.000 0.481 106 S N 2.632 118.518 115.700 0.310 0.000 2.706 106 S HA 0.549 4.904 4.470 -0.191 0.000 0.270 106 S C -1.638 173.283 174.600 0.536 0.000 1.163 106 S CA -0.684 57.721 58.200 0.342 0.000 1.042 106 S CB 0.186 63.587 63.200 0.335 0.000 1.079 106 S HN 0.621 nan 8.310 nan 0.000 0.474 107 I N 4.669 125.451 120.570 0.353 0.000 2.474 107 I HA 0.262 4.317 4.170 -0.191 0.000 0.287 107 I C 1.253 177.218 176.117 -0.254 0.000 1.048 107 I CA -0.212 61.189 61.300 0.168 0.000 1.383 107 I CB 1.102 39.192 38.000 0.150 0.000 1.412 107 I HN 0.822 nan 8.210 nan 0.000 0.531 108 S N 6.774 122.040 115.700 -0.724 0.000 2.573 108 S HA 0.171 4.527 4.470 -0.191 0.000 0.277 108 S C -1.754 172.527 174.600 -0.532 0.000 1.346 108 S CA -0.833 56.544 58.200 -1.373 0.000 1.034 108 S CB 0.605 62.924 63.200 -1.468 0.000 0.879 108 S HN 0.434 nan 8.310 nan 0.000 0.528 109 P HA -0.128 nan 4.420 nan 0.000 0.218 109 P C 0.625 177.870 177.300 -0.092 0.000 1.146 109 P CA 1.512 64.520 63.100 -0.154 0.000 0.813 109 P CB -0.134 31.501 31.700 -0.108 0.000 0.778 110 D N -2.253 118.094 120.400 -0.088 0.000 2.358 110 D HA 0.124 4.649 4.640 -0.191 0.000 0.224 110 D C 1.286 177.575 176.300 -0.019 0.000 1.123 110 D CA 0.076 54.068 54.000 -0.013 0.000 0.833 110 D CB -1.168 39.671 40.800 0.065 0.000 0.946 110 D HN 0.134 nan 8.370 nan 0.000 0.505 111 G N 0.819 109.594 108.800 -0.042 0.000 2.212 111 G HA2 -0.420 3.426 3.960 -0.191 0.000 0.267 111 G HA3 -0.420 3.426 3.960 -0.191 0.000 0.267 111 G C 0.882 175.776 174.900 -0.009 0.000 1.002 111 G CA 0.868 45.992 45.100 0.039 0.000 0.729 111 G HN 0.490 nan 8.290 nan 0.000 0.517 112 Q N -1.873 117.850 119.800 -0.128 0.000 2.376 112 Q HA 0.398 4.624 4.340 -0.191 0.000 0.206 112 Q C 0.125 175.702 176.000 -0.704 0.000 0.921 112 Q CA 0.518 56.083 55.803 -0.396 0.000 0.911 112 Q CB 0.486 28.941 28.738 -0.472 0.000 1.032 112 Q HN 0.560 nan 8.270 nan 0.000 0.510 113 F N -0.404 119.486 119.950 -0.101 0.000 2.613 113 F HA 0.491 4.903 4.527 -0.191 0.000 0.310 113 F C -0.703 175.172 175.800 0.125 0.000 1.085 113 F CA -1.165 56.850 58.000 0.025 0.000 0.945 113 F CB 1.832 40.878 39.000 0.077 0.000 1.298 113 F HN -0.207 nan 8.300 nan 0.000 0.455 114 I N 3.293 124.168 120.570 0.507 0.000 2.498 114 I HA 0.548 4.603 4.170 -0.191 0.000 0.290 114 I C -1.840 174.583 176.117 0.509 0.000 1.032 114 I CA -1.076 60.514 61.300 0.482 0.000 1.073 114 I CB 1.656 39.867 38.000 0.350 0.000 1.251 114 I HN 0.577 nan 8.210 nan 0.000 0.426 115 L N 8.199 129.752 121.223 0.550 0.000 2.265 115 L HA 0.499 4.725 4.340 -0.191 0.000 0.288 115 L C -1.363 175.639 176.870 0.220 0.000 1.058 115 L CA -0.008 55.035 54.840 0.338 0.000 0.809 115 L CB 1.032 43.213 42.059 0.203 0.000 1.179 115 L HN 0.534 nan 8.230 nan 0.000 0.429 116 L N 5.285 126.579 121.223 0.118 0.000 2.280 116 L HA 0.504 4.730 4.340 -0.191 0.000 0.287 116 L C -0.122 176.782 176.870 0.057 0.000 1.023 116 L CA -0.305 54.502 54.840 -0.054 0.000 0.819 116 L CB 1.455 43.254 42.059 -0.433 0.000 1.212 116 L HN 0.598 nan 8.230 nan 0.000 0.420 117 E N 3.836 124.035 120.200 -0.001 0.000 2.174 117 E HA 0.448 4.684 4.350 -0.191 0.000 0.282 117 E C -1.538 175.030 176.600 -0.054 0.000 0.992 117 E CA -0.525 55.751 56.400 -0.207 0.000 0.803 117 E CB 1.027 30.659 29.700 -0.114 0.000 1.090 117 E HN 0.459 nan 8.360 nan 0.000 0.396 118 Y N 1.697 121.827 120.300 -0.283 0.000 2.728 118 Y HA 0.429 4.864 4.550 -0.191 0.000 0.330 118 Y C -0.177 175.668 175.900 -0.092 0.000 1.234 118 Y CA -1.575 56.461 58.100 -0.108 0.000 1.070 118 Y CB 0.464 38.940 38.460 0.026 0.000 1.300 118 Y HN 0.521 nan 8.280 nan 0.000 0.467 119 N N -0.488 118.252 118.700 0.066 0.000 2.725 119 N HA -0.306 4.319 4.740 -0.191 0.000 0.249 119 N C -0.890 174.615 175.510 -0.008 0.000 1.103 119 N CA 1.075 54.123 53.050 -0.004 0.000 0.707 119 N CB -1.716 36.678 38.487 -0.154 0.000 1.043 119 N HN 0.882 nan 8.380 nan 0.000 0.553 120 Y N 0.351 120.593 120.300 -0.097 0.000 2.729 120 Y HA 0.233 4.668 4.550 -0.191 0.000 0.331 120 Y C -0.031 175.841 175.900 -0.046 0.000 1.208 120 Y CA -0.048 57.995 58.100 -0.094 0.000 1.521 120 Y CB 0.606 38.951 38.460 -0.192 0.000 1.233 120 Y HN -0.012 nan 8.280 nan 0.000 0.539 121 V N 8.050 127.693 119.914 -0.452 0.000 2.409 121 V HA 0.210 4.216 4.120 -0.191 0.000 0.290 121 V C -0.095 175.612 176.094 -0.645 0.000 1.017 121 V CA -1.454 60.572 62.300 -0.456 0.000 0.841 121 V CB 1.169 32.868 31.823 -0.208 0.000 1.003 121 V HN 0.766 nan 8.190 nan 0.000 0.426 122 K N 3.383 123.322 120.400 -0.769 0.000 2.469 122 K HA 0.132 4.338 4.320 -0.191 0.000 0.274 122 K C 0.390 176.793 176.600 -0.330 0.000 0.983 122 K CA 0.384 56.383 56.287 -0.480 0.000 0.974 122 K CB 0.986 33.387 32.500 -0.165 0.000 0.913 122 K HN 0.843 nan 8.250 nan 0.000 0.493 123 Q N 2.340 121.938 119.800 -0.337 0.000 2.489 123 Q HA 0.173 4.399 4.340 -0.191 0.000 0.202 123 Q C -0.108 175.631 176.000 -0.436 0.000 0.853 123 Q CA -0.478 54.937 55.803 -0.647 0.000 0.539 123 Q CB 0.149 28.325 28.738 -0.937 0.000 3.308 123 Q HN 0.700 nan 8.270 nan 0.000 0.362 124 W N 0.579 121.880 121.300 0.000 0.000 1.833 124 W HA 0.364 4.908 4.660 -0.192 0.000 0.593 124 W C 1.711 178.218 176.519 -0.019 0.000 1.936 124 W CA -0.606 56.762 57.345 0.038 0.000 2.192 124 W CB -0.110 29.343 29.460 -0.011 0.000 2.633 124 W HN 0.339 nan 8.180 nan 0.000 0.783 125 R N -0.595 120.001 120.500 0.159 0.000 2.120 125 R HA -0.155 4.071 4.340 -0.191 0.000 0.234 125 R C 1.534 177.640 176.300 -0.324 0.000 1.123 125 R CA 1.727 57.743 56.100 -0.139 0.000 0.975 125 R CB -0.336 29.774 30.300 -0.317 0.000 0.866 125 R HN 0.539 nan 8.270 nan 0.000 0.446 126 H N -1.620 117.529 119.070 0.133 0.000 3.091 126 H HA 0.148 4.589 4.556 -0.191 0.000 0.249 126 H C 0.459 175.897 175.328 0.183 0.000 0.985 126 H CA 0.425 56.578 56.048 0.176 0.000 1.177 126 H CB 0.399 30.240 29.762 0.132 0.000 1.456 126 H HN 0.119 nan 8.280 nan 0.000 0.467 127 S N 1.406 117.111 115.700 0.008 0.000 2.565 127 S HA 0.430 4.786 4.470 -0.191 0.000 0.274 127 S C -0.332 174.135 174.600 -0.222 0.000 1.309 127 S CA -0.540 57.350 58.200 -0.517 0.000 1.043 127 S CB 0.812 63.132 63.200 -1.467 0.000 0.939 127 S HN 0.423 nan 8.310 nan 0.000 0.504 128 Y N -1.905 118.269 120.300 -0.208 0.000 2.725 128 Y HA 0.762 5.198 4.550 -0.191 0.000 0.333 128 Y C -0.708 175.183 175.900 -0.014 0.000 1.242 128 Y CA -1.208 56.773 58.100 -0.199 0.000 1.059 128 Y CB 0.869 39.172 38.460 -0.261 0.000 1.306 128 Y HN 0.573 nan 8.280 nan 0.000 0.454 129 T N 1.144 115.762 114.554 0.107 0.000 2.885 129 T HA 0.908 5.143 4.350 -0.191 0.000 0.285 129 T C -1.090 173.706 174.700 0.159 0.000 1.019 129 T CA 0.076 62.240 62.100 0.106 0.000 1.010 129 T CB 1.262 70.133 68.868 0.006 0.000 1.022 129 T HN 1.215 nan 8.240 nan 0.000 0.466 130 A N 1.702 124.595 122.820 0.121 0.000 2.586 130 A HA 0.735 4.941 4.320 -0.191 0.000 0.291 130 A C -0.859 176.538 177.584 -0.312 0.000 1.062 130 A CA -0.758 51.217 52.037 -0.103 0.000 0.666 130 A CB 1.187 20.125 19.000 -0.104 0.000 1.281 130 A HN 0.662 nan 8.150 nan 0.000 0.421 131 S N -0.445 114.840 115.700 -0.691 0.000 2.617 131 S HA 0.798 5.153 4.470 -0.191 0.000 0.283 131 S C -1.397 172.575 174.600 -1.046 0.000 1.189 131 S CA -0.055 57.649 58.200 -0.827 0.000 1.036 131 S CB 0.587 63.027 63.200 -1.267 0.000 1.014 131 S HN 0.458 nan 8.310 nan 0.000 0.522 132 Y N 0.081 120.186 120.300 -0.326 0.000 2.457 132 Y HA 0.473 4.909 4.550 -0.191 0.000 0.343 132 Y C -0.257 175.685 175.900 0.070 0.000 0.994 132 Y CA -0.913 57.132 58.100 -0.091 0.000 1.031 132 Y CB 1.749 40.097 38.460 -0.187 0.000 1.246 132 Y HN 0.506 nan 8.280 nan 0.000 0.449 133 D N 2.481 123.095 120.400 0.357 0.000 2.527 133 D HA 0.556 5.081 4.640 -0.191 0.000 0.233 133 D C -0.943 175.500 176.300 0.238 0.000 1.063 133 D CA -0.376 53.806 54.000 0.304 0.000 0.880 133 D CB 2.815 43.901 40.800 0.475 0.000 1.457 133 D HN 0.409 nan 8.370 nan 0.000 0.475 134 I N 1.706 122.406 120.570 0.217 0.000 2.378 134 I HA 0.231 4.286 4.170 -0.191 0.000 0.291 134 I C -0.869 175.463 176.117 0.359 0.000 0.992 134 I CA -0.915 60.544 61.300 0.264 0.000 1.154 134 I CB 1.383 39.491 38.000 0.180 0.000 1.315 134 I HN 0.218 nan 8.210 nan 0.000 0.448 135 Y N 5.619 126.090 120.300 0.286 0.000 2.331 135 Y HA 0.279 4.715 4.550 -0.190 0.000 0.338 135 Y C -0.079 175.999 175.900 0.295 0.000 0.976 135 Y CA -0.567 57.713 58.100 0.301 0.000 1.137 135 Y CB 0.934 39.617 38.460 0.370 0.000 1.172 135 Y HN 0.487 nan 8.280 nan 0.000 0.478 136 D N 5.906 126.230 120.400 -0.126 0.000 2.317 136 D HA 0.090 4.615 4.640 -0.191 0.000 0.252 136 D C 0.613 176.685 176.300 -0.381 0.000 1.174 136 D CA 0.338 54.205 54.000 -0.223 0.000 0.866 136 D CB 1.152 41.860 40.800 -0.152 0.000 1.127 136 D HN 0.835 nan 8.370 nan 0.000 0.467 137 L N 3.670 124.717 121.223 -0.294 0.000 2.068 137 L HA -0.097 4.129 4.340 -0.191 0.000 0.204 137 L C 1.738 178.476 176.870 -0.220 0.000 1.076 137 L CA 0.564 55.307 54.840 -0.163 0.000 0.753 137 L CB -0.290 41.680 42.059 -0.149 0.000 0.910 137 L HN 0.325 nan 8.230 nan 0.000 0.439 138 N N 0.120 118.642 118.700 -0.296 0.000 2.309 138 N HA -0.120 4.505 4.740 -0.191 0.000 0.182 138 N C 1.434 176.835 175.510 -0.181 0.000 1.018 138 N CA 0.977 53.893 53.050 -0.222 0.000 0.876 138 N CB 0.016 38.364 38.487 -0.231 0.000 0.972 138 N HN 0.249 nan 8.380 nan 0.000 0.434 139 K N -0.027 120.248 120.400 -0.208 0.000 2.353 139 K HA 0.206 4.412 4.320 -0.191 0.000 0.195 139 K C -0.123 176.365 176.600 -0.186 0.000 1.031 139 K CA -0.159 56.032 56.287 -0.161 0.000 1.079 139 K CB 0.739 33.161 32.500 -0.130 0.000 0.857 139 K HN 0.004 nan 8.250 nan 0.000 0.535 140 R N 2.073 122.425 120.500 -0.247 0.000 3.336 140 R HA -0.205 4.021 4.340 -0.191 0.000 0.260 140 R C -1.194 174.869 176.300 -0.395 0.000 1.032 140 R CA 0.896 56.856 56.100 -0.232 0.000 0.693 140 R CB -1.502 28.756 30.300 -0.071 0.000 1.134 140 R HN 0.503 nan 8.270 nan 0.000 0.433 141 Q N -0.641 118.668 119.800 -0.819 0.000 2.647 141 Q HA 0.293 4.519 4.340 -0.191 0.000 0.283 141 Q C -0.951 174.733 176.000 -0.527 0.000 0.943 141 Q CA -1.227 54.187 55.803 -0.649 0.000 0.813 141 Q CB 0.840 29.472 28.738 -0.176 0.000 1.477 141 Q HN 0.103 nan 8.270 nan 0.000 0.393 142 L N 1.768 122.959 121.223 -0.054 0.000 2.540 142 L HA 0.087 4.313 4.340 -0.191 0.000 0.276 142 L C -0.130 176.787 176.870 0.079 0.000 1.212 142 L CA -0.137 54.804 54.840 0.168 0.000 0.893 142 L CB 0.020 42.270 42.059 0.319 0.000 1.138 142 L HN 0.529 nan 8.230 nan 0.000 0.491 143 I N 3.002 123.634 120.570 0.104 0.000 2.517 143 I HA -0.055 4.000 4.170 -0.191 0.000 0.285 143 I C 1.431 177.581 176.117 0.056 0.000 1.106 143 I CA 0.658 62.002 61.300 0.072 0.000 1.402 143 I CB 1.281 39.328 38.000 0.078 0.000 1.399 143 I HN 0.719 nan 8.210 nan 0.000 0.535 144 T N 1.948 116.520 114.554 0.030 0.000 3.033 144 T HA 0.093 4.329 4.350 -0.191 0.000 0.248 144 T C 0.645 175.341 174.700 -0.006 0.000 1.040 144 T CA -0.255 61.854 62.100 0.015 0.000 1.133 144 T CB -0.158 68.716 68.868 0.010 0.000 0.895 144 T HN 0.568 nan 8.240 nan 0.000 0.465 145 E N 2.382 122.576 120.200 -0.009 0.000 2.366 145 E HA 0.067 4.303 4.350 -0.191 0.000 0.266 145 E C -0.559 176.017 176.600 -0.041 0.000 1.051 145 E CA -0.306 56.080 56.400 -0.024 0.000 0.884 145 E CB 0.348 30.037 29.700 -0.018 0.000 1.006 145 E HN 0.299 nan 8.360 nan 0.000 0.417 146 E N 0.772 120.936 120.200 -0.060 0.000 2.222 146 E HA -0.226 4.009 4.350 -0.191 0.000 0.189 146 E C -0.538 175.994 176.600 -0.113 0.000 1.415 146 E CA 0.683 57.031 56.400 -0.086 0.000 0.689 146 E CB -1.244 28.411 29.700 -0.074 0.000 1.107 146 E HN 0.503 nan 8.360 nan 0.000 0.350 147 R N -0.087 120.336 120.500 -0.128 0.000 2.637 147 R HA 0.440 4.665 4.340 -0.191 0.000 0.269 147 R C 1.093 177.227 176.300 -0.276 0.000 1.089 147 R CA -0.488 55.521 56.100 -0.152 0.000 1.177 147 R CB 0.636 30.871 30.300 -0.108 0.000 1.091 147 R HN 0.179 nan 8.270 nan 0.000 0.540 148 I N 4.207 124.578 120.570 -0.333 0.000 2.471 148 I HA 0.139 4.194 4.170 -0.191 0.000 0.286 148 I C -1.610 174.215 176.117 -0.487 0.000 1.079 148 I CA -1.852 59.094 61.300 -0.589 0.000 1.398 148 I CB 0.853 38.478 38.000 -0.623 0.000 1.403 148 I HN 0.357 nan 8.210 nan 0.000 0.530 149 P HA 0.049 nan 4.420 nan 0.000 0.270 149 P C -0.798 176.292 177.300 -0.349 0.000 1.223 149 P CA -0.341 62.390 63.100 -0.615 0.000 0.785 149 P CB 0.451 31.387 31.700 -1.272 0.000 0.923 150 N N 1.442 120.025 118.700 -0.195 0.000 2.381 150 N HA -0.040 4.585 4.740 -0.191 0.000 0.241 150 N C 0.484 176.067 175.510 0.122 0.000 1.279 150 N CA 0.332 53.342 53.050 -0.067 0.000 0.896 150 N CB -0.654 37.809 38.487 -0.040 0.000 1.118 150 N HN 0.442 nan 8.380 nan 0.000 0.438 151 N N -1.861 116.902 118.700 0.104 0.000 2.776 151 N HA -0.162 4.464 4.740 -0.191 0.000 0.250 151 N C -1.019 174.673 175.510 0.304 0.000 1.112 151 N CA 0.687 53.845 53.050 0.179 0.000 0.733 151 N CB -1.263 37.335 38.487 0.186 0.000 1.097 151 N HN 0.471 nan 8.380 nan 0.000 0.558 152 T N 0.344 115.074 114.554 0.293 0.000 2.916 152 T HA 0.053 4.289 4.350 -0.191 0.000 0.303 152 T C 1.430 176.288 174.700 0.263 0.000 1.025 152 T CA 0.194 62.478 62.100 0.307 0.000 1.142 152 T CB 1.109 70.073 68.868 0.159 0.000 0.947 152 T HN 0.187 nan 8.240 nan 0.000 0.544 153 Q N 1.454 121.394 119.800 0.233 0.000 2.373 153 Q HA 0.191 4.416 4.340 -0.191 0.000 0.210 153 Q C 0.075 176.233 176.000 0.264 0.000 0.913 153 Q CA 0.238 56.197 55.803 0.259 0.000 0.911 153 Q CB 0.944 29.815 28.738 0.222 0.000 1.040 153 Q HN 0.706 nan 8.270 nan 0.000 0.521 154 W N 0.148 121.392 121.300 -0.093 0.000 3.571 154 W HA 0.441 4.986 4.660 -0.192 0.000 0.294 154 W C -2.285 174.121 176.519 -0.187 0.000 1.257 154 W CA -0.617 56.625 57.345 -0.173 0.000 1.206 154 W CB 1.276 30.582 29.460 -0.257 0.000 1.325 154 W HN -0.358 nan 8.180 nan 0.000 0.546 155 V N 3.421 122.636 119.914 -1.164 0.000 2.709 155 V HA 0.705 4.711 4.120 -0.191 0.000 0.308 155 V C -0.449 175.052 176.094 -0.989 0.000 1.062 155 V CA -0.647 61.102 62.300 -0.919 0.000 0.901 155 V CB 1.764 32.924 31.823 -1.105 0.000 1.003 155 V HN 0.477 nan 8.190 nan 0.000 0.425 156 T N 3.235 117.515 114.554 -0.457 0.000 3.172 156 T HA 0.460 4.695 4.350 -0.191 0.000 0.320 156 T C -1.334 173.410 174.700 0.073 0.000 1.085 156 T CA -0.332 61.687 62.100 -0.135 0.000 1.052 156 T CB 0.585 69.610 68.868 0.262 0.000 1.107 156 T HN 0.527 nan 8.240 nan 0.000 0.458 157 W N 3.633 124.965 121.300 0.052 0.000 2.137 157 W HA 0.411 4.957 4.660 -0.191 0.000 0.344 157 W C 1.342 177.655 176.519 -0.343 0.000 1.286 157 W CA -0.569 56.732 57.345 -0.073 0.000 1.240 157 W CB 0.532 29.958 29.460 -0.057 0.000 1.141 157 W HN 0.786 nan 8.180 nan 0.000 0.579 158 S N 1.637 116.958 115.700 -0.631 0.000 2.589 158 S HA 0.102 4.458 4.470 -0.191 0.000 0.265 158 S C -1.786 172.568 174.600 -0.411 0.000 1.342 158 S CA -0.915 56.492 58.200 -1.322 0.000 1.005 158 S CB 0.795 63.155 63.200 -1.400 0.000 0.909 158 S HN 0.302 nan 8.310 nan 0.000 0.555 159 P HA 0.074 nan 4.420 nan 0.000 0.222 159 P C 0.383 177.643 177.300 -0.067 0.000 1.153 159 P CA 0.573 63.643 63.100 -0.049 0.000 0.798 159 P CB -0.187 31.530 31.700 0.029 0.000 0.796 160 V N -5.416 114.423 119.914 -0.126 0.000 2.864 160 V HA 0.892 4.897 4.120 -0.191 0.000 0.314 160 V C 0.388 176.395 176.094 -0.145 0.000 1.073 160 V CA -0.235 62.005 62.300 -0.099 0.000 0.956 160 V CB 0.913 32.695 31.823 -0.068 0.000 1.023 160 V HN 0.449 nan 8.190 nan 0.000 0.435 161 G N 2.776 111.517 108.800 -0.099 0.000 2.562 161 G HA2 -0.183 3.663 3.960 -0.191 0.000 0.250 161 G HA3 -0.183 3.663 3.960 -0.191 0.000 0.250 161 G C 0.171 175.030 174.900 -0.068 0.000 1.269 161 G CA 0.559 45.594 45.100 -0.108 0.000 0.919 161 G HN 2.493 nan 8.290 nan 0.000 0.574 162 H N -0.369 118.687 119.070 -0.024 0.000 2.651 162 H HA 0.457 4.898 4.556 -0.191 0.000 0.241 162 H C 0.440 175.870 175.328 0.171 0.000 1.225 162 H CA -0.149 55.937 56.048 0.062 0.000 0.942 162 H CB -0.135 29.688 29.762 0.102 0.000 1.996 162 H HN 0.507 nan 8.280 nan 0.000 0.600 163 K N 1.157 121.531 120.400 -0.044 0.000 2.219 163 K HA 0.317 4.523 4.320 -0.191 0.000 0.258 163 K C -0.772 175.875 176.600 0.078 0.000 1.008 163 K CA -0.539 55.720 56.287 -0.046 0.000 0.928 163 K CB 1.083 33.412 32.500 -0.284 0.000 0.983 163 K HN 0.032 nan 8.250 nan 0.000 0.484 164 L N 1.067 122.383 121.223 0.155 0.000 2.431 164 L HA 0.520 4.746 4.340 -0.191 0.000 0.266 164 L C -1.546 175.516 176.870 0.320 0.000 0.978 164 L CA -0.230 54.680 54.840 0.116 0.000 0.822 164 L CB 1.908 43.926 42.059 -0.068 0.000 1.310 164 L HN 0.743 nan 8.230 nan 0.000 0.409 165 A N 4.119 127.131 122.820 0.319 0.000 2.343 165 A HA 0.780 4.985 4.320 -0.191 0.000 0.308 165 A C -1.763 175.866 177.584 0.074 0.000 1.092 165 A CA -0.394 51.754 52.037 0.185 0.000 0.751 165 A CB 0.877 19.955 19.000 0.130 0.000 1.203 165 A HN 0.727 nan 8.150 nan 0.000 0.452 166 Y N -0.056 120.205 120.300 -0.065 0.000 2.553 166 Y HA 0.758 5.193 4.550 -0.191 0.000 0.347 166 Y C -1.182 174.720 175.900 0.004 0.000 1.019 166 Y CA -1.560 56.471 58.100 -0.115 0.000 1.032 166 Y CB 1.265 39.582 38.460 -0.238 0.000 1.284 166 Y HN 0.351 nan 8.280 nan 0.000 0.466 167 V N 2.836 122.844 119.914 0.157 0.000 2.398 167 V HA 0.335 4.341 4.120 -0.191 0.000 0.286 167 V C -1.320 174.948 176.094 0.290 0.000 1.026 167 V CA -0.595 61.784 62.300 0.132 0.000 0.868 167 V CB 1.071 32.905 31.823 0.019 0.000 0.982 167 V HN 0.886 nan 8.190 nan 0.000 0.443 168 W N 5.168 126.508 121.300 0.066 0.000 3.042 168 W HA 0.480 5.025 4.660 -0.191 0.000 0.337 168 W C 0.257 176.793 176.519 0.028 0.000 1.086 168 W CA -0.767 56.592 57.345 0.023 0.000 1.236 168 W CB 1.237 30.660 29.460 -0.063 0.000 1.381 168 W HN 0.770 nan 8.180 nan 0.000 0.472 169 N N 5.234 123.571 118.700 -0.606 0.000 2.735 169 N HA -0.348 4.278 4.740 -0.191 0.000 0.248 169 N C 0.107 175.457 175.510 -0.267 0.000 1.083 169 N CA 1.167 53.866 53.050 -0.585 0.000 0.703 169 N CB -1.176 36.738 38.487 -0.955 0.000 1.005 169 N HN 0.802 nan 8.380 nan 0.000 0.550 170 N N -2.332 116.283 118.700 -0.141 0.000 2.925 170 N HA -0.163 4.463 4.740 -0.191 0.000 0.244 170 N C -1.309 174.153 175.510 -0.080 0.000 1.000 170 N CA 0.990 53.984 53.050 -0.094 0.000 0.895 170 N CB -0.355 38.034 38.487 -0.164 0.000 1.119 170 N HN 0.425 nan 8.380 nan 0.000 0.569 171 D N 0.450 120.823 120.400 -0.044 0.000 2.423 171 D HA 0.548 5.074 4.640 -0.191 0.000 0.235 171 D C 0.022 176.268 176.300 -0.091 0.000 1.011 171 D CA -0.308 53.627 54.000 -0.108 0.000 0.963 171 D CB 1.689 42.392 40.800 -0.161 0.000 1.349 171 D HN 0.014 nan 8.370 nan 0.000 0.508 172 I N 1.416 121.772 120.570 -0.357 0.000 2.377 172 I HA 0.292 4.347 4.170 -0.191 0.000 0.293 172 I C -0.798 174.989 176.117 -0.550 0.000 0.987 172 I CA -0.601 60.464 61.300 -0.392 0.000 1.185 172 I CB 0.850 38.505 38.000 -0.575 0.000 1.341 172 I HN 0.153 nan 8.210 nan 0.000 0.455 173 Y N 4.393 124.313 120.300 -0.634 0.000 2.462 173 Y HA 0.648 5.084 4.550 -0.191 0.000 0.346 173 Y C -0.380 175.198 175.900 -0.537 0.000 0.976 173 Y CA -1.066 56.626 58.100 -0.679 0.000 1.044 173 Y CB 2.293 40.066 38.460 -1.145 0.000 1.230 173 Y HN 0.125 nan 8.280 nan 0.000 0.455 174 V N 3.161 123.030 119.914 -0.075 0.000 2.588 174 V HA 0.393 4.399 4.120 -0.191 0.000 0.304 174 V C -0.775 175.462 176.094 0.237 0.000 1.042 174 V CA -1.347 61.012 62.300 0.099 0.000 0.877 174 V CB 1.864 33.764 31.823 0.128 0.000 0.996 174 V HN 0.637 nan 8.190 nan 0.000 0.425 175 K N 4.384 124.924 120.400 0.233 0.000 2.293 175 K HA 0.479 4.685 4.320 -0.191 0.000 0.267 175 K C 0.434 177.153 176.600 0.199 0.000 1.010 175 K CA -0.704 55.698 56.287 0.191 0.000 0.875 175 K CB 1.634 34.206 32.500 0.121 0.000 1.106 175 K HN 0.448 nan 8.250 nan 0.000 0.450 176 I N 1.395 122.110 120.570 0.242 0.000 2.353 176 I HA -0.108 3.948 4.170 -0.191 0.000 0.248 176 I C 0.552 176.734 176.117 0.108 0.000 1.119 176 I CA 1.559 62.964 61.300 0.174 0.000 1.417 176 I CB -0.261 37.867 38.000 0.214 0.000 1.078 176 I HN 0.570 nan 8.210 nan 0.000 0.421 177 E N -0.093 120.171 120.200 0.107 0.000 2.266 177 E HA 0.272 4.507 4.350 -0.191 0.000 0.268 177 E C -1.911 174.683 176.600 -0.010 0.000 0.879 177 E CA -1.841 54.613 56.400 0.090 0.000 0.762 177 E CB 1.907 31.669 29.700 0.104 0.000 1.199 177 E HN -0.120 nan 8.360 nan 0.000 0.422 178 P HA -0.142 nan 4.420 nan 0.000 0.217 178 P C 0.756 177.990 177.300 -0.109 0.000 1.150 178 P CA 1.415 64.397 63.100 -0.197 0.000 0.832 178 P CB 0.123 31.534 31.700 -0.482 0.000 0.787 179 N N -1.808 116.849 118.700 -0.071 0.000 2.336 179 N HA 0.054 4.680 4.740 -0.191 0.000 0.189 179 N C 0.325 175.819 175.510 -0.026 0.000 1.113 179 N CA -0.027 53.007 53.050 -0.028 0.000 0.858 179 N CB -0.305 38.188 38.487 0.011 0.000 0.970 179 N HN 0.073 nan 8.380 nan 0.000 0.471 180 L N 0.134 121.339 121.223 -0.030 0.000 2.387 180 L HA 0.540 4.765 4.340 -0.191 0.000 0.266 180 L C -2.189 174.633 176.870 -0.081 0.000 1.059 180 L CA -2.613 52.203 54.840 -0.040 0.000 0.801 180 L CB 1.265 43.315 42.059 -0.016 0.000 1.223 180 L HN -0.088 nan 8.230 nan 0.000 0.456 181 P HA 0.035 nan 4.420 nan 0.000 0.269 181 P C -1.067 176.081 177.300 -0.252 0.000 1.215 181 P CA -0.323 62.680 63.100 -0.162 0.000 0.780 181 P CB 0.655 32.250 31.700 -0.174 0.000 0.898 182 S N 1.592 117.207 115.700 -0.142 0.000 2.541 182 S HA 0.451 4.807 4.470 -0.191 0.000 0.283 182 S C -0.801 173.723 174.600 -0.126 0.000 1.196 182 S CA -0.579 57.578 58.200 -0.073 0.000 1.062 182 S CB 0.061 63.369 63.200 0.181 0.000 1.009 182 S HN 0.232 nan 8.310 nan 0.000 0.502 183 Y N 1.138 121.463 120.300 0.041 0.000 2.316 183 Y HA 0.417 4.853 4.550 -0.191 0.000 0.331 183 Y C 1.028 176.832 175.900 -0.159 0.000 1.083 183 Y CA -0.829 57.263 58.100 -0.014 0.000 1.206 183 Y CB 0.746 39.203 38.460 -0.005 0.000 1.195 183 Y HN 0.647 nan 8.280 nan 0.000 0.497 184 R N 3.658 124.067 120.500 -0.152 0.000 2.298 184 R HA 0.234 4.459 4.340 -0.191 0.000 0.310 184 R C 0.182 176.192 176.300 -0.484 0.000 1.068 184 R CA -0.175 55.493 56.100 -0.719 0.000 0.957 184 R CB 0.362 30.053 30.300 -1.015 0.000 1.003 184 R HN 0.793 nan 8.270 nan 0.000 0.454 185 I N 2.165 122.384 120.570 -0.585 0.000 2.628 185 I HA -0.025 4.031 4.170 -0.191 0.000 0.255 185 I C 1.143 177.060 176.117 -0.334 0.000 1.119 185 I CA 0.921 62.004 61.300 -0.362 0.000 1.448 185 I CB -0.640 37.117 38.000 -0.406 0.000 1.133 185 I HN 0.620 nan 8.210 nan 0.000 0.438 186 T N -3.765 110.476 114.554 -0.521 0.000 2.932 186 T HA 0.411 4.647 4.350 -0.191 0.000 0.289 186 T C -0.600 173.835 174.700 -0.442 0.000 1.039 186 T CA -0.486 61.416 62.100 -0.329 0.000 1.024 186 T CB 2.068 70.742 68.868 -0.322 0.000 1.090 186 T HN 0.193 nan 8.240 nan 0.000 0.496 187 W N 0.108 121.308 121.300 -0.165 0.000 2.284 187 W HA 0.254 4.799 4.660 -0.190 0.000 0.334 187 W C 1.634 178.108 176.519 -0.075 0.000 0.917 187 W CA -0.235 57.044 57.345 -0.110 0.000 1.621 187 W CB 0.465 29.873 29.460 -0.087 0.000 1.129 187 W HN 0.943 nan 8.180 nan 0.000 0.528 188 T N -3.273 111.329 114.554 0.080 0.000 3.010 188 T HA 0.298 4.534 4.350 -0.191 0.000 0.257 188 T C 1.188 175.892 174.700 0.007 0.000 1.020 188 T CA 0.095 62.227 62.100 0.055 0.000 0.938 188 T CB 0.048 68.947 68.868 0.052 0.000 1.049 188 T HN -0.013 nan 8.240 nan 0.000 0.522 189 G N 1.468 110.246 108.800 -0.036 0.000 2.272 189 G HA2 0.374 4.219 3.960 -0.191 0.000 0.247 189 G HA3 0.374 4.219 3.960 -0.191 0.000 0.247 189 G C -0.629 174.215 174.900 -0.094 0.000 1.272 189 G CA -0.297 44.757 45.100 -0.077 0.000 0.921 189 G HN 0.523 nan 8.290 nan 0.000 0.495 190 K N 1.924 122.247 120.400 -0.129 0.000 2.581 190 K HA 0.190 4.396 4.320 -0.191 0.000 0.249 190 K C -0.204 176.275 176.600 -0.203 0.000 0.966 190 K CA -0.684 55.526 56.287 -0.129 0.000 0.811 190 K CB 1.685 34.144 32.500 -0.069 0.000 1.223 190 K HN 0.613 nan 8.250 nan 0.000 0.438 191 E N 3.523 123.615 120.200 -0.180 0.000 2.558 191 E HA -0.140 4.095 4.350 -0.191 0.000 0.255 191 E C -0.541 175.972 176.600 -0.146 0.000 0.968 191 E CA 0.956 57.247 56.400 -0.182 0.000 0.939 191 E CB 0.257 29.888 29.700 -0.115 0.000 0.921 191 E HN 0.681 nan 8.360 nan 0.000 0.477 192 D N 2.150 122.441 120.400 -0.181 0.000 2.880 192 D HA -0.251 4.275 4.640 -0.191 0.000 0.198 192 D C 0.631 176.948 176.300 0.030 0.000 1.059 192 D CA 1.627 55.641 54.000 0.022 0.000 1.019 192 D CB -0.920 39.938 40.800 0.097 0.000 1.112 192 D HN 0.453 nan 8.370 nan 0.000 0.424 193 I N -0.448 120.053 120.570 -0.115 0.000 3.393 193 I HA 0.083 4.138 4.170 -0.191 0.000 0.250 193 I C 0.679 176.809 176.117 0.023 0.000 1.122 193 I CA 0.296 61.604 61.300 0.013 0.000 1.484 193 I CB 0.405 38.413 38.000 0.014 0.000 1.468 193 I HN -0.112 nan 8.210 nan 0.000 0.461 194 I N 0.998 121.502 120.570 -0.110 0.000 2.362 194 I HA 0.248 4.304 4.170 -0.191 0.000 0.289 194 I C -1.409 174.632 176.117 -0.126 0.000 0.994 194 I CA -0.617 60.681 61.300 -0.003 0.000 1.158 194 I CB 0.623 38.638 38.000 0.025 0.000 1.315 194 I HN 0.069 nan 8.210 nan 0.000 0.451 195 Y N 4.688 125.093 120.300 0.175 0.000 2.388 195 Y HA 0.374 4.810 4.550 -0.190 0.000 0.328 195 Y C 0.348 176.341 175.900 0.155 0.000 0.963 195 Y CA -0.699 57.512 58.100 0.184 0.000 1.240 195 Y CB 0.985 39.634 38.460 0.315 0.000 1.118 195 Y HN 0.418 nan 8.280 nan 0.000 0.484 196 N N 2.392 121.183 118.700 0.151 0.000 2.437 196 N HA 0.314 4.939 4.740 -0.191 0.000 0.259 196 N C 0.908 176.394 175.510 -0.039 0.000 0.983 196 N CA 0.529 53.610 53.050 0.052 0.000 0.937 196 N CB 1.797 40.223 38.487 -0.103 0.000 1.122 196 N HN 0.999 nan 8.380 nan 0.000 0.499 197 G N 1.654 110.449 108.800 -0.009 0.000 2.184 197 G HA2 -0.269 3.577 3.960 -0.191 0.000 0.264 197 G HA3 -0.269 3.577 3.960 -0.191 0.000 0.264 197 G C 0.111 174.874 174.900 -0.228 0.000 0.975 197 G CA 0.738 45.747 45.100 -0.151 0.000 0.642 197 G HN 0.661 nan 8.290 nan 0.000 0.536 198 I N -1.515 118.988 120.570 -0.111 0.000 2.828 198 I HA 0.804 4.860 4.170 -0.191 0.000 0.302 198 I C 0.411 176.548 176.117 0.033 0.000 1.101 198 I CA -0.687 60.443 61.300 -0.283 0.000 1.031 198 I CB 1.989 39.632 38.000 -0.594 0.000 1.231 198 I HN 0.160 nan 8.210 nan 0.000 0.427 199 T N -0.263 114.236 114.554 -0.092 0.000 2.849 199 T HA 0.365 4.600 4.350 -0.191 0.000 0.284 199 T C -0.169 174.299 174.700 -0.387 0.000 1.004 199 T CA -0.630 61.283 62.100 -0.311 0.000 1.021 199 T CB 1.116 69.907 68.868 -0.128 0.000 1.013 199 T HN 0.788 nan 8.240 nan 0.000 0.527 200 D N -0.019 119.901 120.400 -0.801 0.000 2.511 200 D HA 0.045 4.571 4.640 -0.191 0.000 0.276 200 D C 0.967 177.171 176.300 -0.160 0.000 1.220 200 D CA -1.133 52.445 54.000 -0.703 0.000 1.077 200 D CB 0.086 40.380 40.800 -0.842 0.000 1.126 200 D HN 0.697 nan 8.370 nan 0.000 0.583 201 W N -0.010 121.204 121.300 -0.143 0.000 2.318 201 W HA -0.220 4.325 4.660 -0.192 0.000 0.313 201 W C 2.148 178.549 176.519 -0.197 0.000 1.221 201 W CA 2.320 59.571 57.345 -0.156 0.000 1.266 201 W CB -0.370 28.933 29.460 -0.262 0.000 1.150 201 W HN 0.184 nan 8.180 nan 0.000 0.496 202 V N -0.374 119.612 119.914 0.121 0.000 2.453 202 V HA -0.271 3.734 4.120 -0.191 0.000 0.247 202 V C 1.853 177.789 176.094 -0.263 0.000 1.048 202 V CA 1.927 64.206 62.300 -0.036 0.000 1.049 202 V CB -0.724 31.063 31.823 -0.060 0.000 0.672 202 V HN 0.274 nan 8.190 nan 0.000 0.457 203 Y N 0.711 120.832 120.300 -0.298 0.000 2.242 203 Y HA -0.181 4.255 4.550 -0.190 0.000 0.291 203 Y C 2.566 178.340 175.900 -0.210 0.000 1.137 203 Y CA 2.123 60.036 58.100 -0.310 0.000 1.181 203 Y CB -0.063 38.111 38.460 -0.477 0.000 0.989 203 Y HN 0.402 nan 8.280 nan 0.000 0.527 204 E N 0.388 120.538 120.200 -0.084 0.000 2.031 204 E HA -0.304 3.932 4.350 -0.191 0.000 0.193 204 E C 1.986 178.503 176.600 -0.139 0.000 0.994 204 E CA 1.678 58.044 56.400 -0.057 0.000 0.800 204 E CB -0.044 29.624 29.700 -0.053 0.000 0.752 204 E HN 0.407 nan 8.360 nan 0.000 0.447 205 E N -0.200 119.744 120.200 -0.426 0.000 2.170 205 E HA -0.116 4.119 4.350 -0.191 0.000 0.191 205 E C 1.427 177.893 176.600 -0.224 0.000 0.981 205 E CA 1.176 57.320 56.400 -0.426 0.000 0.830 205 E CB 0.308 29.397 29.700 -1.019 0.000 0.775 205 E HN 0.226 nan 8.360 nan 0.000 0.470 206 E N -1.025 119.026 120.200 -0.248 0.000 2.485 206 E HA 0.120 4.356 4.350 -0.191 0.000 0.213 206 E C 1.481 177.936 176.600 -0.242 0.000 0.923 206 E CA 0.344 56.641 56.400 -0.171 0.000 1.054 206 E CB 1.182 30.790 29.700 -0.153 0.000 1.077 206 E HN 0.172 nan 8.360 nan 0.000 0.509 207 V N -0.384 119.326 119.914 -0.341 0.000 2.735 207 V HA 0.068 4.074 4.120 -0.191 0.000 0.234 207 V C 1.455 177.327 176.094 -0.370 0.000 1.121 207 V CA 0.728 62.738 62.300 -0.483 0.000 1.160 207 V CB -0.275 31.056 31.823 -0.820 0.000 0.908 207 V HN 0.009 nan 8.190 nan 0.000 0.495 208 F N 0.664 120.625 119.950 0.017 0.000 2.746 208 F HA 0.300 4.713 4.527 -0.191 0.000 0.297 208 F C 1.556 177.318 175.800 -0.063 0.000 1.113 208 F CA 0.138 58.160 58.000 0.038 0.000 1.367 208 F CB -0.376 38.687 39.000 0.105 0.000 1.111 208 F HN 0.085 nan 8.300 nan 0.000 0.590 209 S N 0.445 116.158 115.700 0.021 0.000 3.614 209 S HA 0.020 4.375 4.470 -0.191 0.000 0.360 209 S C 0.055 174.276 174.600 -0.631 0.000 1.023 209 S CA 0.430 58.516 58.200 -0.189 0.000 1.114 209 S CB -1.793 61.361 63.200 -0.077 0.000 0.907 209 S HN 0.688 nan 8.310 nan 0.000 0.470 210 A N -0.759 121.855 122.820 -0.343 0.000 2.594 210 A HA 0.636 4.841 4.320 -0.191 0.000 0.296 210 A C -0.319 177.223 177.584 -0.068 0.000 1.056 210 A CA -0.412 51.450 52.037 -0.292 0.000 0.693 210 A CB 0.302 19.166 19.000 -0.227 0.000 1.278 210 A HN 0.339 nan 8.150 nan 0.000 0.408 211 Y N 1.736 121.883 120.300 -0.255 0.000 2.337 211 Y HA 0.016 4.452 4.550 -0.190 0.000 0.293 211 Y C 1.719 177.339 175.900 -0.467 0.000 1.123 211 Y CA 1.197 59.147 58.100 -0.250 0.000 1.201 211 Y CB 0.249 38.606 38.460 -0.171 0.000 1.011 211 Y HN 0.858 nan 8.280 nan 0.000 0.545 212 S N 0.377 115.551 115.700 -0.877 0.000 2.592 212 S HA 0.511 4.867 4.470 -0.191 0.000 0.271 212 S C 0.004 174.080 174.600 -0.873 0.000 1.326 212 S CA -0.188 57.292 58.200 -1.200 0.000 1.024 212 S CB 1.666 63.642 63.200 -2.040 0.000 0.921 212 S HN 0.347 nan 8.310 nan 0.000 0.527 213 A N 2.739 125.045 122.820 -0.856 0.000 3.045 213 A HA 0.533 4.739 4.320 -0.191 0.000 0.244 213 A C -0.446 176.451 177.584 -1.146 0.000 0.917 213 A CA -0.605 50.838 52.037 -0.989 0.000 1.075 213 A CB -0.166 18.701 19.000 -0.223 0.000 1.202 213 A HN 0.757 nan 8.150 nan 0.000 0.486 214 L N 0.232 120.695 121.223 -1.266 0.000 2.346 214 L HA 0.648 4.874 4.340 -0.191 0.000 0.274 214 L C -0.962 175.363 176.870 -0.907 0.000 1.007 214 L CA -0.660 53.715 54.840 -0.775 0.000 0.818 214 L CB 1.856 43.662 42.059 -0.422 0.000 1.284 214 L HN 0.445 nan 8.230 nan 0.000 0.424 215 W N 1.901 123.209 121.300 0.012 0.000 2.728 215 W HA 0.218 4.764 4.660 -0.191 0.000 0.324 215 W C -1.218 175.462 176.519 0.269 0.000 1.012 215 W CA -1.067 56.411 57.345 0.221 0.000 1.279 215 W CB 1.323 30.998 29.460 0.358 0.000 1.289 215 W HN 0.492 nan 8.180 nan 0.000 0.418 216 W N 2.652 124.141 121.300 0.314 0.000 2.216 216 W HA 0.217 4.762 4.660 -0.191 0.000 0.326 216 W C 1.301 177.626 176.519 -0.323 0.000 1.319 216 W CA 0.372 57.759 57.345 0.070 0.000 1.213 216 W CB 0.816 30.304 29.460 0.046 0.000 1.171 216 W HN 0.171 nan 8.180 nan 0.000 0.557 217 S N 3.007 118.416 115.700 -0.486 0.000 2.584 217 S HA 0.117 4.472 4.470 -0.191 0.000 0.270 217 S C -1.738 172.589 174.600 -0.456 0.000 1.346 217 S CA -1.001 56.379 58.200 -1.368 0.000 1.018 217 S CB 0.845 63.338 63.200 -1.178 0.000 0.899 217 S HN 0.302 nan 8.310 nan 0.000 0.542 218 P HA -0.165 nan 4.420 nan 0.000 0.217 218 P C 0.800 178.069 177.300 -0.052 0.000 1.151 218 P CA 1.668 64.730 63.100 -0.063 0.000 0.849 218 P CB -0.215 31.498 31.700 0.021 0.000 0.787 219 N N -2.329 116.320 118.700 -0.085 0.000 2.203 219 N HA 0.157 4.782 4.740 -0.191 0.000 0.207 219 N C 1.054 176.493 175.510 -0.117 0.000 1.130 219 N CA 0.369 53.370 53.050 -0.082 0.000 0.861 219 N CB -0.645 37.805 38.487 -0.062 0.000 1.005 219 N HN 0.148 nan 8.380 nan 0.000 0.507 220 G N -0.870 107.875 108.800 -0.092 0.000 2.159 220 G HA2 -0.346 3.499 3.960 -0.191 0.000 0.256 220 G HA3 -0.346 3.499 3.960 -0.191 0.000 0.256 220 G C 0.944 175.874 174.900 0.050 0.000 0.977 220 G CA 0.803 45.875 45.100 -0.047 0.000 0.652 220 G HN 0.375 nan 8.290 nan 0.000 0.531 221 T N -0.035 114.447 114.554 -0.120 0.000 2.701 221 T HA 0.192 4.428 4.350 -0.191 0.000 0.263 221 T C 0.850 175.365 174.700 -0.309 0.000 1.040 221 T CA 1.418 63.322 62.100 -0.327 0.000 1.147 221 T CB -0.088 68.397 68.868 -0.638 0.000 0.865 221 T HN 0.298 nan 8.240 nan 0.000 0.426 222 F N 0.225 120.209 119.950 0.057 0.000 2.470 222 F HA 0.641 5.053 4.527 -0.191 0.000 0.329 222 F C -0.254 175.596 175.800 0.084 0.000 1.072 222 F CA -1.754 56.317 58.000 0.119 0.000 0.989 222 F CB 1.169 40.336 39.000 0.277 0.000 1.193 222 F HN -0.109 nan 8.300 nan 0.000 0.481 223 L N 2.688 124.057 121.223 0.243 0.000 2.377 223 L HA 0.794 5.020 4.340 -0.191 0.000 0.270 223 L C -0.640 176.324 176.870 0.157 0.000 0.991 223 L CA -0.538 54.264 54.840 -0.063 0.000 0.851 223 L CB 0.664 42.410 42.059 -0.522 0.000 1.218 223 L HN 0.664 nan 8.230 nan 0.000 0.420 224 A N 4.824 127.830 122.820 0.310 0.000 2.310 224 A HA 0.713 4.918 4.320 -0.191 0.000 0.299 224 A C -1.222 176.454 177.584 0.153 0.000 1.147 224 A CA -0.179 51.947 52.037 0.149 0.000 0.818 224 A CB 0.336 19.526 19.000 0.317 0.000 1.096 224 A HN 0.887 nan 8.150 nan 0.000 0.495 225 Y N -1.262 118.807 120.300 -0.385 0.000 2.625 225 Y HA 0.772 5.208 4.550 -0.191 0.000 0.338 225 Y C -0.349 175.330 175.900 -0.368 0.000 1.123 225 Y CA -0.964 56.992 58.100 -0.240 0.000 1.046 225 Y CB 1.005 39.332 38.460 -0.220 0.000 1.299 225 Y HN 0.890 nan 8.280 nan 0.000 0.464 226 A N 1.993 124.840 122.820 0.044 0.000 2.340 226 A HA 0.647 4.853 4.320 -0.191 0.000 0.331 226 A C -1.244 176.244 177.584 -0.161 0.000 1.140 226 A CA -0.862 51.087 52.037 -0.146 0.000 0.801 226 A CB 1.746 20.656 19.000 -0.150 0.000 1.234 226 A HN 0.805 nan 8.150 nan 0.000 0.469 227 Q N 0.999 120.636 119.800 -0.271 0.000 2.333 227 Q HA 0.623 4.849 4.340 -0.191 0.000 0.267 227 Q C -1.982 173.784 176.000 -0.390 0.000 1.012 227 Q CA -0.383 55.361 55.803 -0.098 0.000 0.824 227 Q CB 1.113 29.996 28.738 0.243 0.000 1.290 227 Q HN 0.616 nan 8.270 nan 0.000 0.449 228 F N 2.197 122.269 119.950 0.203 0.000 2.469 228 F HA 0.402 4.815 4.527 -0.190 0.000 0.332 228 F C 0.350 176.321 175.800 0.286 0.000 1.103 228 F CA -0.945 57.163 58.000 0.181 0.000 0.979 228 F CB 1.382 40.423 39.000 0.068 0.000 1.137 228 F HN 0.410 nan 8.300 nan 0.000 0.463 229 N N 1.840 120.768 118.700 0.381 0.000 2.446 229 N HA 0.228 4.853 4.740 -0.191 0.000 0.265 229 N C -0.831 174.859 175.510 0.301 0.000 0.975 229 N CA -0.323 52.904 53.050 0.296 0.000 0.928 229 N CB 1.107 39.711 38.487 0.194 0.000 1.160 229 N HN 0.537 nan 8.380 nan 0.000 0.495 230 D N 1.481 122.074 120.400 0.321 0.000 2.424 230 D HA 0.140 4.666 4.640 -0.191 0.000 0.220 230 D C 1.183 177.597 176.300 0.191 0.000 1.150 230 D CA 0.120 54.289 54.000 0.282 0.000 0.831 230 D CB 0.528 41.562 40.800 0.390 0.000 0.981 230 D HN 0.470 nan 8.370 nan 0.000 0.500 231 T N 0.318 114.963 114.554 0.153 0.000 2.592 231 T HA -0.216 4.020 4.350 -0.191 0.000 0.267 231 T C 1.360 176.116 174.700 0.093 0.000 1.060 231 T CA 1.337 63.501 62.100 0.107 0.000 1.167 231 T CB -0.052 68.868 68.868 0.087 0.000 0.863 231 T HN 0.263 nan 8.240 nan 0.000 0.431 232 E N 0.546 120.801 120.200 0.091 0.000 2.419 232 E HA 0.161 4.396 4.350 -0.191 0.000 0.190 232 E C -0.579 176.068 176.600 0.079 0.000 1.040 232 E CA -0.261 56.183 56.400 0.073 0.000 0.900 232 E CB 0.434 30.170 29.700 0.060 0.000 1.054 232 E HN 0.219 nan 8.360 nan 0.000 0.462 233 V N 3.425 123.400 119.914 0.101 0.000 2.488 233 V HA 0.133 4.139 4.120 -0.191 0.000 0.277 233 V C -1.954 174.196 176.094 0.093 0.000 1.046 233 V CA -1.607 60.756 62.300 0.105 0.000 0.986 233 V CB 0.497 32.401 31.823 0.135 0.000 0.989 233 V HN 0.072 nan 8.190 nan 0.000 0.475 234 P HA 0.355 nan 4.420 nan 0.000 0.274 234 P C -0.846 176.496 177.300 0.070 0.000 1.246 234 P CA -0.405 62.735 63.100 0.067 0.000 0.795 234 P CB 0.600 32.337 31.700 0.062 0.000 1.006 235 L N 1.143 122.386 121.223 0.034 0.000 2.317 235 L HA 0.494 4.719 4.340 -0.191 0.000 0.281 235 L C 0.268 177.103 176.870 -0.058 0.000 1.024 235 L CA -1.040 53.803 54.840 0.005 0.000 0.810 235 L CB 1.237 43.292 42.059 -0.007 0.000 1.240 235 L HN 0.275 nan 8.230 nan 0.000 0.427 236 I N 2.163 122.654 120.570 -0.131 0.000 2.365 236 I HA 0.238 4.294 4.170 -0.191 0.000 0.291 236 I C -0.376 175.603 176.117 -0.231 0.000 1.004 236 I CA 0.328 61.460 61.300 -0.280 0.000 1.311 236 I CB 0.918 38.499 38.000 -0.698 0.000 1.401 236 I HN 0.563 nan 8.210 nan 0.000 0.491 237 E N 7.476 127.561 120.200 -0.191 0.000 2.199 237 E HA 0.465 4.700 4.350 -0.191 0.000 0.265 237 E C -1.754 174.781 176.600 -0.108 0.000 0.882 237 E CA -0.566 55.717 56.400 -0.194 0.000 0.759 237 E CB 1.781 31.400 29.700 -0.136 0.000 1.148 237 E HN 0.567 nan 8.360 nan 0.000 0.412 238 Y N -1.426 118.789 120.300 -0.142 0.000 2.597 238 Y HA 0.559 4.996 4.550 -0.189 0.000 0.340 238 Y C -0.676 175.149 175.900 -0.126 0.000 1.097 238 Y CA -1.359 56.661 58.100 -0.133 0.000 1.037 238 Y CB 0.888 39.275 38.460 -0.121 0.000 1.305 238 Y HN 0.157 nan 8.280 nan 0.000 0.463 239 S N 2.178 117.872 115.700 -0.010 0.000 2.523 239 S HA 0.394 4.750 4.470 -0.191 0.000 0.275 239 S C -1.267 173.180 174.600 -0.254 0.000 1.281 239 S CA -0.406 57.627 58.200 -0.278 0.000 1.050 239 S CB 0.092 62.939 63.200 -0.589 0.000 0.937 239 S HN 0.537 nan 8.310 nan 0.000 0.492 240 F N 2.735 122.472 119.950 -0.354 0.000 2.444 240 F HA 0.402 4.814 4.527 -0.191 0.000 0.342 240 F C 0.065 175.669 175.800 -0.327 0.000 1.121 240 F CA -0.689 57.181 58.000 -0.217 0.000 0.997 240 F CB 0.748 39.731 39.000 -0.027 0.000 1.130 240 F HN 0.673 nan 8.300 nan 0.000 0.454 241 Y N 2.788 122.884 120.300 -0.341 0.000 2.397 241 Y HA 0.080 4.515 4.550 -0.191 0.000 0.292 241 Y C 1.683 177.529 175.900 -0.090 0.000 1.115 241 Y CA 1.046 59.042 58.100 -0.174 0.000 1.208 241 Y CB -0.486 37.857 38.460 -0.195 0.000 1.046 241 Y HN 0.751 nan 8.280 nan 0.000 0.552 242 S N -0.026 115.624 115.700 -0.084 0.000 3.514 242 S HA -0.315 4.040 4.470 -0.191 0.000 0.634 242 S C -0.142 174.526 174.600 0.114 0.000 2.489 242 S CA 0.336 58.651 58.200 0.191 0.000 2.771 242 S CB -1.503 61.904 63.200 0.345 0.000 0.328 242 S HN 0.560 nan 8.310 nan 0.000 1.714 243 D N 1.280 121.761 120.400 0.134 0.000 2.378 243 D HA 0.252 4.777 4.640 -0.191 0.000 0.238 243 D C 1.570 177.907 176.300 0.062 0.000 1.180 243 D CA 0.716 54.768 54.000 0.087 0.000 0.895 243 D CB 0.495 41.345 40.800 0.084 0.000 1.192 243 D HN 0.621 nan 8.370 nan 0.000 0.438 244 E N 0.290 120.513 120.200 0.038 0.000 2.409 244 E HA -0.171 4.065 4.350 -0.191 0.000 0.198 244 E C 1.046 177.658 176.600 0.021 0.000 1.024 244 E CA 0.921 57.333 56.400 0.020 0.000 0.861 244 E CB -0.162 29.540 29.700 0.003 0.000 0.788 244 E HN 0.335 nan 8.360 nan 0.000 0.521 245 S N 0.371 116.090 115.700 0.033 0.000 2.527 245 S HA 0.055 4.410 4.470 -0.191 0.000 0.222 245 S C 1.006 175.631 174.600 0.041 0.000 0.985 245 S CA -0.384 57.835 58.200 0.031 0.000 0.921 245 S CB -0.122 63.098 63.200 0.034 0.000 0.772 245 S HN 0.300 nan 8.310 nan 0.000 0.529 246 L N 2.541 123.798 121.223 0.057 0.000 2.385 246 L HA 0.188 4.413 4.340 -0.191 0.000 0.281 246 L C 1.499 178.399 176.870 0.051 0.000 1.106 246 L CA 0.013 54.898 54.840 0.075 0.000 0.856 246 L CB 1.037 43.159 42.059 0.105 0.000 1.186 246 L HN 0.429 nan 8.230 nan 0.000 0.453 247 Q N 4.066 123.894 119.800 0.047 0.000 2.083 247 Q HA -0.089 4.136 4.340 -0.191 0.000 0.198 247 Q C -0.582 175.310 176.000 -0.179 0.000 0.969 247 Q CA 1.303 57.068 55.803 -0.064 0.000 0.838 247 Q CB 0.233 28.944 28.738 -0.044 0.000 0.900 247 Q HN 0.597 nan 8.270 nan 0.000 0.436 248 Y N 0.688 121.005 120.300 0.029 0.000 2.335 248 Y HA 0.368 4.804 4.550 -0.191 0.000 0.338 248 Y C -2.046 173.870 175.900 0.026 0.000 0.977 248 Y CA -2.877 55.236 58.100 0.023 0.000 1.114 248 Y CB 1.357 39.823 38.460 0.009 0.000 1.182 248 Y HN 0.149 nan 8.280 nan 0.000 0.463 249 P HA 0.009 nan 4.420 nan 0.000 0.267 249 P C -0.477 176.846 177.300 0.039 0.000 1.200 249 P CA -0.364 62.773 63.100 0.061 0.000 0.772 249 P CB 0.754 32.434 31.700 -0.033 0.000 0.855 250 K N 1.007 121.420 120.400 0.022 0.000 2.154 250 K HA 0.323 4.529 4.320 -0.191 0.000 0.264 250 K C -0.536 176.029 176.600 -0.058 0.000 1.008 250 K CA -0.210 56.083 56.287 0.010 0.000 0.937 250 K CB 0.434 32.968 32.500 0.057 0.000 1.002 250 K HN 0.370 nan 8.250 nan 0.000 0.469 251 T N 2.223 116.728 114.554 -0.082 0.000 2.770 251 T HA 0.261 4.497 4.350 -0.191 0.000 0.283 251 T C -0.701 173.884 174.700 -0.193 0.000 0.988 251 T CA -0.676 61.339 62.100 -0.143 0.000 0.957 251 T CB 1.312 70.107 68.868 -0.120 0.000 0.930 251 T HN 0.234 nan 8.240 nan 0.000 0.443 252 V N 4.886 124.591 119.914 -0.348 0.000 2.465 252 V HA 0.464 4.469 4.120 -0.191 0.000 0.279 252 V C 0.317 176.151 176.094 -0.434 0.000 1.045 252 V CA -0.607 61.439 62.300 -0.423 0.000 0.938 252 V CB 1.064 32.486 31.823 -0.668 0.000 0.986 252 V HN 0.715 nan 8.190 nan 0.000 0.467 253 R N 3.457 123.831 120.500 -0.211 0.000 2.435 253 R HA 0.671 4.897 4.340 -0.191 0.000 0.308 253 R C -1.580 174.711 176.300 -0.016 0.000 0.975 253 R CA -0.470 55.551 56.100 -0.132 0.000 0.867 253 R CB 2.064 32.316 30.300 -0.079 0.000 1.171 253 R HN 0.533 nan 8.270 nan 0.000 0.470 254 V N 4.143 124.044 119.914 -0.022 0.000 2.540 254 V HA 0.360 4.366 4.120 -0.191 0.000 0.302 254 V C -2.283 173.855 176.094 0.073 0.000 1.035 254 V CA -2.629 59.719 62.300 0.080 0.000 0.873 254 V CB 2.023 33.843 31.823 -0.005 0.000 0.992 254 V HN 0.587 nan 8.190 nan 0.000 0.428 255 P HA 0.121 nan 4.420 nan 0.000 0.264 255 P C -1.258 176.127 177.300 0.142 0.000 1.229 255 P CA 0.521 63.718 63.100 0.162 0.000 0.780 255 P CB -0.289 31.553 31.700 0.236 0.000 0.808 256 Y N 6.349 126.620 120.300 -0.048 0.000 2.317 256 Y HA 0.371 4.806 4.550 -0.192 0.000 0.325 256 Y C -2.613 173.256 175.900 -0.052 0.000 1.066 256 Y CA -2.721 55.297 58.100 -0.137 0.000 1.203 256 Y CB 2.065 40.347 38.460 -0.296 0.000 1.127 256 Y HN 0.288 nan 8.280 nan 0.000 0.451 257 P HA 0.237 nan 4.420 nan 0.000 0.286 257 P C -1.123 176.210 177.300 0.055 0.000 1.321 257 P CA -0.233 62.886 63.100 0.031 0.000 0.790 257 P CB 1.245 32.949 31.700 0.007 0.000 0.897 258 K N 2.056 122.582 120.400 0.209 0.000 2.126 258 K HA 0.497 4.703 4.320 -0.191 0.000 0.257 258 K C 0.545 177.238 176.600 0.156 0.000 1.007 258 K CA -0.688 55.743 56.287 0.240 0.000 0.928 258 K CB 0.622 33.283 32.500 0.269 0.000 1.013 258 K HN 0.462 nan 8.250 nan 0.000 0.473 259 A N 1.057 123.991 122.820 0.190 0.000 2.591 259 A HA 0.205 4.410 4.320 -0.191 0.000 0.244 259 A C 1.233 178.850 177.584 0.056 0.000 1.031 259 A CA 1.182 53.314 52.037 0.158 0.000 0.767 259 A CB -1.168 17.987 19.000 0.260 0.000 0.942 259 A HN 0.948 nan 8.150 nan 0.000 0.514 260 G N 0.759 109.582 108.800 0.037 0.000 2.176 260 G HA2 0.136 3.981 3.960 -0.191 0.000 0.253 260 G HA3 0.136 3.981 3.960 -0.191 0.000 0.253 260 G C 0.639 175.549 174.900 0.017 0.000 0.979 260 G CA 0.797 45.895 45.100 -0.003 0.000 0.641 260 G HN 2.220 nan 8.290 nan 0.000 0.530 261 A N -0.461 122.385 122.820 0.044 0.000 2.240 261 A HA 0.779 4.984 4.320 -0.191 0.000 0.292 261 A C 0.732 178.345 177.584 0.048 0.000 1.121 261 A CA 0.235 52.302 52.037 0.051 0.000 0.851 261 A CB 0.804 19.849 19.000 0.074 0.000 1.167 261 A HN 1.117 nan 8.150 nan 0.000 0.503 262 V N 2.592 122.536 119.914 0.051 0.000 2.446 262 V HA 0.031 4.037 4.120 -0.191 0.000 0.276 262 V C 0.226 176.361 176.094 0.068 0.000 1.030 262 V CA -0.264 62.066 62.300 0.050 0.000 1.033 262 V CB -0.333 31.520 31.823 0.050 0.000 0.993 262 V HN 0.753 nan 8.190 nan 0.000 0.477 263 N N 7.009 125.747 118.700 0.063 0.000 2.503 263 N HA 0.305 4.931 4.740 -0.191 0.000 0.267 263 N C -2.270 173.318 175.510 0.129 0.000 1.214 263 N CA -1.392 51.718 53.050 0.099 0.000 0.959 263 N CB 0.692 39.229 38.487 0.082 0.000 1.142 263 N HN 0.402 nan 8.380 nan 0.000 0.455 264 P HA 0.019 nan 4.420 nan 0.000 0.268 264 P C -0.283 177.175 177.300 0.263 0.000 1.205 264 P CA -0.050 63.209 63.100 0.266 0.000 0.771 264 P CB 0.162 32.081 31.700 0.364 0.000 0.858 265 T N -0.588 114.091 114.554 0.208 0.000 2.902 265 T HA 0.515 4.751 4.350 -0.191 0.000 0.280 265 T C -0.146 174.671 174.700 0.195 0.000 0.992 265 T CA -0.793 61.388 62.100 0.136 0.000 1.015 265 T CB 1.435 70.347 68.868 0.073 0.000 1.044 265 T HN 0.305 nan 8.240 nan 0.000 0.520 266 V N 0.863 120.859 119.914 0.136 0.000 2.760 266 V HA 0.654 4.660 4.120 -0.191 0.000 0.309 266 V C -1.241 174.907 176.094 0.089 0.000 1.077 266 V CA -0.846 61.493 62.300 0.065 0.000 0.910 266 V CB 1.945 33.837 31.823 0.114 0.000 1.008 266 V HN 1.017 nan 8.190 nan 0.000 0.424 267 K N 4.835 125.207 120.400 -0.048 0.000 2.328 267 K HA 0.605 4.810 4.320 -0.191 0.000 0.246 267 K C -1.746 174.692 176.600 -0.271 0.000 0.955 267 K CA -0.542 55.665 56.287 -0.133 0.000 0.817 267 K CB 2.729 35.106 32.500 -0.204 0.000 1.208 267 K HN 0.558 nan 8.250 nan 0.000 0.432 268 F N 1.943 121.533 119.950 -0.600 0.000 2.520 268 F HA 0.555 4.967 4.527 -0.191 0.000 0.322 268 F C -1.376 173.814 175.800 -1.016 0.000 1.103 268 F CA -0.637 56.990 58.000 -0.623 0.000 0.926 268 F CB 0.908 39.717 39.000 -0.317 0.000 1.154 268 F HN 0.392 nan 8.300 nan 0.000 0.453 269 F N 3.553 122.777 119.950 -1.209 0.000 2.613 269 F HA 0.779 5.192 4.527 -0.191 0.000 0.314 269 F C -1.020 174.182 175.800 -0.997 0.000 1.075 269 F CA -1.199 56.202 58.000 -0.997 0.000 0.945 269 F CB 2.169 40.428 39.000 -1.235 0.000 1.310 269 F HN 0.110 nan 8.300 nan 0.000 0.467 270 V N 2.189 121.936 119.914 -0.279 0.000 2.686 270 V HA 0.575 4.581 4.120 -0.191 0.000 0.306 270 V C -1.315 174.867 176.094 0.147 0.000 1.065 270 V CA -0.826 61.383 62.300 -0.152 0.000 0.894 270 V CB 1.969 33.502 31.823 -0.484 0.000 1.004 270 V HN 0.593 nan 8.190 nan 0.000 0.424 271 V N 4.419 124.488 119.914 0.258 0.000 2.540 271 V HA 0.577 4.582 4.120 -0.191 0.000 0.302 271 V C -0.301 176.032 176.094 0.399 0.000 1.035 271 V CA -0.543 61.936 62.300 0.297 0.000 0.873 271 V CB 1.957 33.898 31.823 0.197 0.000 0.992 271 V HN 0.940 nan 8.190 nan 0.000 0.428 272 N N 4.021 122.987 118.700 0.442 0.000 2.405 272 N HA 0.086 4.711 4.740 -0.191 0.000 0.260 272 N C 1.094 176.660 175.510 0.093 0.000 1.152 272 N CA 0.691 53.927 53.050 0.311 0.000 0.948 272 N CB 1.632 40.299 38.487 0.301 0.000 1.111 272 N HN 0.922 nan 8.380 nan 0.000 0.485 273 T N -0.313 114.266 114.554 0.041 0.000 3.148 273 T HA 0.059 4.294 4.350 -0.191 0.000 0.253 273 T C 0.534 175.208 174.700 -0.044 0.000 1.134 273 T CA 0.383 62.497 62.100 0.024 0.000 1.051 273 T CB 0.172 69.141 68.868 0.170 0.000 0.959 273 T HN 0.263 nan 8.240 nan 0.000 0.525 274 D N 1.866 122.221 120.400 -0.076 0.000 2.305 274 D HA 0.048 4.574 4.640 -0.191 0.000 0.206 274 D C 1.918 178.175 176.300 -0.072 0.000 0.974 274 D CA 0.889 54.839 54.000 -0.083 0.000 0.871 274 D CB 0.102 40.837 40.800 -0.109 0.000 0.947 274 D HN 0.638 nan 8.370 nan 0.000 0.516 275 S N -0.271 115.395 115.700 -0.056 0.000 2.572 275 S HA 0.156 4.511 4.470 -0.191 0.000 0.228 275 S C 0.590 175.145 174.600 -0.076 0.000 0.963 275 S CA -0.519 57.660 58.200 -0.035 0.000 0.939 275 S CB 0.174 63.387 63.200 0.022 0.000 0.804 275 S HN -0.102 nan 8.310 nan 0.000 0.480 276 L N 3.846 124.964 121.223 -0.175 0.000 2.485 276 L HA 0.383 4.609 4.340 -0.191 0.000 0.275 276 L C 0.662 177.340 176.870 -0.320 0.000 1.207 276 L CA 0.438 55.079 54.840 -0.332 0.000 0.855 276 L CB 0.374 42.018 42.059 -0.693 0.000 1.114 276 L HN 0.537 nan 8.230 nan 0.000 0.485 277 S N -0.343 115.253 115.700 -0.172 0.000 2.549 277 S HA 0.448 4.803 4.470 -0.191 0.000 0.280 277 S C 0.452 175.178 174.600 0.209 0.000 1.109 277 S CA -0.079 58.134 58.200 0.021 0.000 0.905 277 S CB 1.613 64.837 63.200 0.039 0.000 1.081 277 S HN 0.555 nan 8.310 nan 0.000 0.477 278 S N 1.309 117.209 115.700 0.334 0.000 2.660 278 S HA 0.066 4.422 4.470 -0.191 0.000 0.223 278 S C 1.074 175.773 174.600 0.164 0.000 0.963 278 S CA 0.331 58.706 58.200 0.293 0.000 0.932 278 S CB -0.526 62.794 63.200 0.201 0.000 0.775 278 S HN 0.621 nan 8.310 nan 0.000 0.531 279 V N 1.455 121.445 119.914 0.127 0.000 2.672 279 V HA 0.151 4.157 4.120 -0.191 0.000 0.242 279 V C 1.410 177.544 176.094 0.068 0.000 1.059 279 V CA 1.247 63.597 62.300 0.082 0.000 1.081 279 V CB -0.322 31.538 31.823 0.061 0.000 0.752 279 V HN 0.788 nan 8.190 nan 0.000 0.472 280 T N -1.439 113.156 114.554 0.069 0.000 2.912 280 T HA 0.440 4.675 4.350 -0.191 0.000 0.288 280 T C -0.325 174.417 174.700 0.069 0.000 1.030 280 T CA -0.728 61.400 62.100 0.046 0.000 1.020 280 T CB 1.584 70.469 68.868 0.028 0.000 1.056 280 T HN 0.075 nan 8.240 nan 0.000 0.480 281 N N 1.249 119.976 118.700 0.045 0.000 2.454 281 N HA 0.399 5.024 4.740 -0.191 0.000 0.254 281 N C 0.268 175.822 175.510 0.073 0.000 1.228 281 N CA -0.077 53.026 53.050 0.087 0.000 0.900 281 N CB 0.649 39.130 38.487 -0.010 0.000 1.089 281 N HN 0.992 nan 8.380 nan 0.000 0.449 282 A N 1.289 124.166 122.820 0.095 0.000 2.445 282 A HA 0.219 4.425 4.320 -0.191 0.000 0.242 282 A C 0.614 178.230 177.584 0.053 0.000 1.075 282 A CA -0.045 52.021 52.037 0.050 0.000 0.777 282 A CB 0.121 19.132 19.000 0.019 0.000 1.013 282 A HN 0.531 nan 8.150 nan 0.000 0.493 283 T N 1.482 116.073 114.554 0.062 0.000 2.767 283 T HA 0.503 4.739 4.350 -0.191 0.000 0.284 283 T C -0.214 174.552 174.700 0.110 0.000 0.973 283 T CA -0.321 61.825 62.100 0.077 0.000 0.996 283 T CB -0.042 68.878 68.868 0.087 0.000 0.927 283 T HN 0.553 nan 8.240 nan 0.000 0.456 284 S N 5.903 121.653 115.700 0.084 0.000 2.456 284 S HA 0.486 4.842 4.470 -0.191 0.000 0.316 284 S C -0.148 174.571 174.600 0.197 0.000 1.089 284 S CA -0.857 57.411 58.200 0.113 0.000 1.101 284 S CB 0.474 63.650 63.200 -0.041 0.000 0.995 284 S HN 0.636 nan 8.310 nan 0.000 0.468 285 I N 3.299 124.020 120.570 0.252 0.000 2.396 285 I HA 0.210 4.266 4.170 -0.191 0.000 0.289 285 I C 0.715 176.984 176.117 0.255 0.000 1.056 285 I CA -0.164 61.300 61.300 0.273 0.000 1.365 285 I CB 0.391 38.612 38.000 0.369 0.000 1.407 285 I HN 0.701 nan 8.210 nan 0.000 0.509 286 Q N 6.228 126.174 119.800 0.244 0.000 2.314 286 Q HA 0.423 4.648 4.340 -0.191 0.000 0.258 286 Q C -0.994 174.989 176.000 -0.029 0.000 0.954 286 Q CA -0.224 55.580 55.803 0.001 0.000 0.890 286 Q CB 1.013 29.743 28.738 -0.013 0.000 1.210 286 Q HN 0.549 nan 8.270 nan 0.000 0.410 287 I N 4.043 124.557 120.570 -0.093 0.000 2.382 287 I HA 0.222 4.277 4.170 -0.191 0.000 0.285 287 I C 0.111 176.213 176.117 -0.026 0.000 1.007 287 I CA -0.759 60.538 61.300 -0.006 0.000 1.142 287 I CB 1.587 39.609 38.000 0.036 0.000 1.289 287 I HN 0.677 nan 8.210 nan 0.000 0.453 288 T N 2.892 117.400 114.554 -0.078 0.000 2.913 288 T HA 0.666 4.902 4.350 -0.191 0.000 0.287 288 T C 0.386 174.901 174.700 -0.308 0.000 1.008 288 T CA -0.792 61.206 62.100 -0.171 0.000 1.067 288 T CB 1.666 70.436 68.868 -0.164 0.000 0.996 288 T HN 0.591 nan 8.240 nan 0.000 0.513 289 A N 3.753 126.162 122.820 -0.686 0.000 2.448 289 A HA 0.528 4.734 4.320 -0.191 0.000 0.239 289 A C -1.747 175.396 177.584 -0.735 0.000 1.080 289 A CA -1.356 49.904 52.037 -1.294 0.000 0.779 289 A CB -0.813 16.954 19.000 -2.054 0.000 1.026 289 A HN 0.818 nan 8.150 nan 0.000 0.499 290 P HA 0.097 nan 4.420 nan 0.000 0.270 290 P C 0.843 177.949 177.300 -0.324 0.000 1.227 290 P CA 0.636 63.526 63.100 -0.350 0.000 0.788 290 P CB 0.532 32.087 31.700 -0.242 0.000 0.926 291 A N 2.272 124.968 122.820 -0.207 0.000 1.917 291 A HA -0.210 3.995 4.320 -0.191 0.000 0.219 291 A C 2.167 179.650 177.584 -0.169 0.000 1.182 291 A CA 2.545 54.478 52.037 -0.172 0.000 0.633 291 A CB -1.868 17.063 19.000 -0.115 0.000 0.819 291 A HN 0.671 nan 8.150 nan 0.000 0.448 292 S N -1.409 114.213 115.700 -0.131 0.000 2.537 292 S HA -0.033 4.323 4.470 -0.191 0.000 0.240 292 S C 1.555 176.084 174.600 -0.118 0.000 0.981 292 S CA 1.401 59.545 58.200 -0.093 0.000 0.948 292 S CB -0.239 62.966 63.200 0.009 0.000 0.759 292 S HN 0.437 nan 8.310 nan 0.000 0.531 293 M N 0.341 119.795 119.600 -0.244 0.000 2.730 293 M HA 0.370 4.736 4.480 -0.191 0.000 0.258 293 M C 1.678 177.718 176.300 -0.432 0.000 1.279 293 M CA 0.568 55.648 55.300 -0.366 0.000 1.183 293 M CB -0.883 31.322 32.600 -0.657 0.000 1.291 293 M HN 0.312 nan 8.290 nan 0.000 0.518 294 L N 0.031 121.004 121.223 -0.416 0.000 2.633 294 L HA -0.114 4.112 4.340 -0.191 0.000 0.235 294 L C 2.038 178.854 176.870 -0.091 0.000 1.163 294 L CA 0.272 54.971 54.840 -0.235 0.000 0.859 294 L CB -0.525 41.400 42.059 -0.224 0.000 0.973 294 L HN 0.146 nan 8.230 nan 0.000 0.451 295 I N -0.748 119.765 120.570 -0.095 0.000 2.761 295 I HA 0.036 4.092 4.170 -0.191 0.000 0.261 295 I C 1.224 177.324 176.117 -0.029 0.000 1.198 295 I CA 0.513 61.775 61.300 -0.063 0.000 1.482 295 I CB 0.008 37.959 38.000 -0.082 0.000 1.100 295 I HN 0.188 nan 8.210 nan 0.000 0.445 296 G N -1.765 107.039 108.800 0.007 0.000 2.650 296 G HA2 0.213 4.058 3.960 -0.191 0.000 0.310 296 G HA3 0.213 4.058 3.960 -0.191 0.000 0.310 296 G C -1.571 173.368 174.900 0.064 0.000 1.270 296 G CA -0.648 44.463 45.100 0.017 0.000 0.810 296 G HN -0.186 nan 8.290 nan 0.000 0.493 297 D N 1.514 121.903 120.400 -0.018 0.000 2.458 297 D HA 0.369 4.894 4.640 -0.191 0.000 0.243 297 D C 0.362 176.581 176.300 -0.135 0.000 1.146 297 D CA 0.639 54.565 54.000 -0.124 0.000 0.877 297 D CB 0.376 41.079 40.800 -0.162 0.000 1.176 297 D HN 0.513 nan 8.370 nan 0.000 0.461 298 H N -0.222 118.712 119.070 -0.227 0.000 2.943 298 H HA 0.507 4.948 4.556 -0.191 0.000 0.323 298 H C -1.189 173.983 175.328 -0.261 0.000 1.296 298 H CA -0.812 55.114 56.048 -0.205 0.000 1.155 298 H CB 0.528 30.288 29.762 -0.003 0.000 1.882 298 H HN 0.257 nan 8.280 nan 0.000 0.553 299 Y N -0.206 120.332 120.300 0.396 0.000 2.545 299 Y HA 0.359 4.795 4.550 -0.190 0.000 0.348 299 Y C -0.404 175.795 175.900 0.497 0.000 1.002 299 Y CA -1.180 57.154 58.100 0.390 0.000 1.039 299 Y CB 1.979 40.507 38.460 0.113 0.000 1.271 299 Y HN 0.460 nan 8.280 nan 0.000 0.467 300 L N 3.075 124.641 121.223 0.571 0.000 2.261 300 L HA 0.370 4.595 4.340 -0.191 0.000 0.289 300 L C 0.452 177.336 176.870 0.025 0.000 1.059 300 L CA -0.279 54.536 54.840 -0.042 0.000 0.816 300 L CB 0.241 42.170 42.059 -0.216 0.000 1.191 300 L HN 0.974 nan 8.230 nan 0.000 0.431 301 C N 1.381 120.591 119.300 -0.151 0.000 3.065 301 C HA 0.502 4.847 4.460 -0.191 0.000 0.285 301 C C 0.254 175.156 174.990 -0.147 0.000 1.257 301 C CA -0.415 58.483 59.018 -0.199 0.000 1.691 301 C CB -0.570 27.101 27.740 -0.115 0.000 2.089 301 C HN 0.834 nan 8.230 nan 0.000 0.630 302 D N 0.088 120.394 120.400 -0.157 0.000 2.836 302 D HA 0.427 4.952 4.640 -0.191 0.000 0.215 302 D C -1.840 174.215 176.300 -0.407 0.000 1.255 302 D CA 0.134 54.056 54.000 -0.130 0.000 0.822 302 D CB 2.821 43.532 40.800 -0.148 0.000 1.656 302 D HN 0.071 nan 8.370 nan 0.000 0.511 303 V N 2.269 121.883 119.914 -0.499 0.000 2.525 303 V HA 0.580 4.585 4.120 -0.191 0.000 0.299 303 V C -0.442 175.285 176.094 -0.611 0.000 1.034 303 V CA -0.427 61.341 62.300 -0.886 0.000 0.863 303 V CB 1.981 32.744 31.823 -1.766 0.000 0.999 303 V HN 0.628 nan 8.190 nan 0.000 0.423 304 T N 3.244 117.513 114.554 -0.475 0.000 3.186 304 T HA 0.297 4.533 4.350 -0.191 0.000 0.320 304 T C -0.750 173.831 174.700 -0.200 0.000 0.955 304 T CA -0.494 61.491 62.100 -0.191 0.000 1.030 304 T CB 0.529 69.371 68.868 -0.043 0.000 1.013 304 T HN 0.525 nan 8.240 nan 0.000 0.454 305 W N 2.081 123.322 121.300 -0.097 0.000 2.257 305 W HA 0.381 4.926 4.660 -0.191 0.000 0.337 305 W C 1.220 177.637 176.519 -0.170 0.000 1.321 305 W CA -0.068 57.223 57.345 -0.090 0.000 1.267 305 W CB 0.449 29.939 29.460 0.049 0.000 1.187 305 W HN 0.819 nan 8.180 nan 0.000 0.565 306 A N 2.033 124.777 122.820 -0.126 0.000 2.035 306 A HA 0.260 4.465 4.320 -0.191 0.000 0.208 306 A C 0.739 178.298 177.584 -0.042 0.000 1.206 306 A CA 1.373 53.116 52.037 -0.489 0.000 0.773 306 A CB -0.153 18.036 19.000 -1.351 0.000 0.878 306 A HN 0.540 nan 8.150 nan 0.000 0.469 307 T N -5.784 108.855 114.554 0.142 0.000 2.648 307 T HA 0.293 4.529 4.350 -0.191 0.000 0.304 307 T C 0.034 174.902 174.700 0.280 0.000 1.312 307 T CA -0.405 61.808 62.100 0.188 0.000 1.023 307 T CB 0.476 69.436 68.868 0.153 0.000 1.612 307 T HN -0.117 nan 8.240 nan 0.000 0.487 308 Q N 0.510 120.435 119.800 0.208 0.000 2.234 308 Q HA -0.046 4.179 4.340 -0.191 0.000 0.206 308 Q C 0.851 177.107 176.000 0.427 0.000 0.980 308 Q CA 1.692 57.617 55.803 0.204 0.000 0.869 308 Q CB -0.245 28.569 28.738 0.126 0.000 0.912 308 Q HN 0.829 nan 8.270 nan 0.000 0.436 309 E N -0.344 120.120 120.200 0.440 0.000 2.968 309 E HA 0.216 4.452 4.350 -0.191 0.000 0.202 309 E C -0.355 176.548 176.600 0.506 0.000 0.979 309 E CA -0.175 56.519 56.400 0.490 0.000 1.192 309 E CB 0.930 30.798 29.700 0.280 0.000 1.059 309 E HN -0.029 nan 8.360 nan 0.000 0.470 310 R N 1.589 122.420 120.500 0.553 0.000 2.515 310 R HA 0.477 4.703 4.340 -0.191 0.000 0.291 310 R C -1.813 174.534 176.300 0.078 0.000 1.046 310 R CA -0.430 55.848 56.100 0.296 0.000 0.914 310 R CB 1.234 31.583 30.300 0.081 0.000 1.191 310 R HN 0.098 nan 8.270 nan 0.000 0.435 311 I N 3.121 123.555 120.570 -0.228 0.000 2.569 311 I HA 0.481 4.536 4.170 -0.191 0.000 0.296 311 I C -0.929 174.865 176.117 -0.538 0.000 1.028 311 I CA -0.540 60.335 61.300 -0.708 0.000 1.082 311 I CB 2.217 39.330 38.000 -1.479 0.000 1.264 311 I HN 0.838 nan 8.210 nan 0.000 0.429 312 S N 7.349 122.725 115.700 -0.539 0.000 2.454 312 S HA 0.704 5.060 4.470 -0.191 0.000 0.306 312 S C -1.070 173.225 174.600 -0.509 0.000 1.100 312 S CA -0.725 57.238 58.200 -0.396 0.000 1.087 312 S CB 1.704 64.797 63.200 -0.179 0.000 1.019 312 S HN 0.450 nan 8.310 nan 0.000 0.480 313 L N 2.399 123.336 121.223 -0.478 0.000 2.334 313 L HA 0.573 4.799 4.340 -0.191 0.000 0.273 313 L C -0.151 176.440 176.870 -0.464 0.000 1.013 313 L CA -0.096 54.364 54.840 -0.634 0.000 0.816 313 L CB 1.821 43.490 42.059 -0.650 0.000 1.278 313 L HN 0.832 nan 8.230 nan 0.000 0.431 314 Q N 2.009 121.473 119.800 -0.561 0.000 2.321 314 Q HA 0.434 4.660 4.340 -0.191 0.000 0.270 314 Q C -1.737 174.032 176.000 -0.385 0.000 1.032 314 Q CA -0.482 55.121 55.803 -0.333 0.000 0.784 314 Q CB 2.144 30.742 28.738 -0.232 0.000 1.264 314 Q HN 0.494 nan 8.270 nan 0.000 0.448 315 W N 2.410 123.655 121.300 -0.093 0.000 2.706 315 W HA 0.683 5.229 4.660 -0.190 0.000 0.346 315 W C -0.738 175.797 176.519 0.027 0.000 1.071 315 W CA -0.542 56.794 57.345 -0.016 0.000 1.206 315 W CB 1.336 30.763 29.460 -0.054 0.000 1.413 315 W HN 0.311 nan 8.180 nan 0.000 0.542 316 L N 2.441 123.892 121.223 0.379 0.000 2.408 316 L HA 0.530 4.756 4.340 -0.191 0.000 0.268 316 L C 0.085 177.145 176.870 0.317 0.000 0.986 316 L CA -1.187 53.831 54.840 0.296 0.000 0.820 316 L CB 1.856 44.080 42.059 0.275 0.000 1.303 316 L HN 0.457 nan 8.230 nan 0.000 0.411 317 R N 1.714 122.364 120.500 0.250 0.000 2.641 317 R HA 0.149 4.374 4.340 -0.191 0.000 0.269 317 R C 1.017 177.389 176.300 0.121 0.000 1.074 317 R CA -0.103 56.099 56.100 0.169 0.000 1.133 317 R CB 0.872 31.263 30.300 0.153 0.000 1.029 317 R HN 0.570 nan 8.270 nan 0.000 0.488 318 R N 1.743 122.230 120.500 -0.021 0.000 2.105 318 R HA -0.096 4.129 4.340 -0.191 0.000 0.239 318 R C 0.262 176.617 176.300 0.093 0.000 1.135 318 R CA 1.273 57.353 56.100 -0.033 0.000 0.967 318 R CB -0.081 30.138 30.300 -0.136 0.000 0.861 318 R HN 0.479 nan 8.270 nan 0.000 0.442 319 I N 2.310 122.918 120.570 0.063 0.000 2.389 319 I HA -0.022 4.033 4.170 -0.191 0.000 0.295 319 I C 0.477 176.652 176.117 0.097 0.000 1.117 319 I CA 0.403 61.741 61.300 0.065 0.000 1.317 319 I CB 1.229 39.254 38.000 0.041 0.000 1.431 319 I HN 0.151 nan 8.210 nan 0.000 0.521 320 Q N 4.614 124.470 119.800 0.092 0.000 2.292 320 Q HA -0.040 4.185 4.340 -0.191 0.000 0.235 320 Q C 0.727 176.801 176.000 0.122 0.000 0.910 320 Q CA -0.021 55.850 55.803 0.113 0.000 0.952 320 Q CB -0.350 28.418 28.738 0.051 0.000 1.089 320 Q HN 0.683 nan 8.270 nan 0.000 0.431 321 N N -0.858 117.917 118.700 0.124 0.000 2.236 321 N HA -0.071 4.555 4.740 -0.191 0.000 0.196 321 N C -0.853 174.759 175.510 0.170 0.000 1.114 321 N CA -0.040 53.077 53.050 0.111 0.000 0.859 321 N CB 0.294 38.824 38.487 0.071 0.000 0.982 321 N HN 0.198 nan 8.380 nan 0.000 0.493 322 Y N 1.249 121.571 120.300 0.038 0.000 2.331 322 Y HA 0.520 4.956 4.550 -0.191 0.000 0.326 322 Y C -1.066 174.867 175.900 0.054 0.000 1.020 322 Y CA -1.001 57.120 58.100 0.034 0.000 1.136 322 Y CB 1.388 39.861 38.460 0.021 0.000 1.157 322 Y HN 0.138 nan 8.280 nan 0.000 0.444 323 S N 3.993 119.534 115.700 -0.264 0.000 2.568 323 S HA 0.902 5.258 4.470 -0.191 0.000 0.293 323 S C -1.749 172.687 174.600 -0.274 0.000 1.089 323 S CA -0.832 57.282 58.200 -0.145 0.000 0.945 323 S CB 2.065 65.237 63.200 -0.046 0.000 1.077 323 S HN 0.409 nan 8.310 nan 0.000 0.485 324 V N 2.914 122.777 119.914 -0.085 0.000 2.525 324 V HA 0.457 4.462 4.120 -0.191 0.000 0.299 324 V C -0.504 175.604 176.094 0.024 0.000 1.034 324 V CA -0.586 61.680 62.300 -0.056 0.000 0.863 324 V CB 1.724 33.545 31.823 -0.004 0.000 0.999 324 V HN 1.033 nan 8.190 nan 0.000 0.423 325 M N 4.138 123.728 119.600 -0.016 0.000 2.108 325 M HA 0.457 4.823 4.480 -0.191 0.000 0.354 325 M C -1.063 175.242 176.300 0.010 0.000 1.229 325 M CA -0.177 55.098 55.300 -0.042 0.000 1.081 325 M CB 0.763 33.282 32.600 -0.135 0.000 1.606 325 M HN 0.564 nan 8.290 nan 0.000 0.467 326 D N 5.440 125.840 120.400 0.000 0.000 2.193 326 D HA 0.481 5.007 4.640 -0.191 0.000 0.244 326 D C -1.027 175.238 176.300 -0.059 0.000 1.064 326 D CA -0.045 53.956 54.000 0.001 0.000 0.845 326 D CB 1.493 42.319 40.800 0.043 0.000 1.148 326 D HN 0.582 nan 8.370 nan 0.000 0.464 327 I N 2.913 123.475 120.570 -0.015 0.000 2.354 327 I HA 0.273 4.329 4.170 -0.191 0.000 0.286 327 I C -0.535 175.577 176.117 -0.009 0.000 1.007 327 I CA -0.445 60.837 61.300 -0.029 0.000 1.167 327 I CB 1.077 39.111 38.000 0.058 0.000 1.320 327 I HN 0.214 nan 8.210 nan 0.000 0.458 328 c N 3.962 122.544 118.600 -0.029 0.000 2.417 328 c HA 0.587 5.043 4.570 -0.191 0.000 0.324 328 c C -0.412 173.815 174.090 0.229 0.000 1.240 328 c CA -0.747 55.631 56.329 0.081 0.000 1.632 328 c CB 1.090 43.635 42.510 0.058 0.000 2.241 328 c HN 0.570 nan 8.230 nan 0.000 0.499 329 D N 0.225 120.757 120.400 0.221 0.000 2.350 329 D HA 0.321 4.846 4.640 -0.191 0.000 0.245 329 D C -0.698 175.546 176.300 -0.094 0.000 1.036 329 D CA -0.244 53.840 54.000 0.139 0.000 0.848 329 D CB 1.016 41.842 40.800 0.042 0.000 1.307 329 D HN 0.575 nan 8.370 nan 0.000 0.469 330 Y N 1.613 121.473 120.300 -0.734 0.000 2.425 330 Y HA 0.154 4.590 4.550 -0.191 0.000 0.331 330 Y C 0.005 175.583 175.900 -0.536 0.000 1.157 330 Y CA 0.234 57.566 58.100 -1.279 0.000 1.372 330 Y CB 0.690 38.249 38.460 -1.502 0.000 1.253 330 Y HN 0.191 nan 8.280 nan 0.000 0.536 331 D N 5.783 125.577 120.400 -1.011 0.000 2.349 331 D HA 0.095 4.621 4.640 -0.191 0.000 0.232 331 D C 0.373 176.149 176.300 -0.873 0.000 1.071 331 D CA -0.125 53.471 54.000 -0.674 0.000 0.832 331 D CB 1.196 41.757 40.800 -0.399 0.000 1.086 331 D HN 0.877 nan 8.370 nan 0.000 0.504 332 E N 1.373 121.284 120.200 -0.482 0.000 2.049 332 E HA -0.202 4.033 4.350 -0.191 0.000 0.198 332 E C 1.816 178.302 176.600 -0.190 0.000 1.007 332 E CA 1.683 57.934 56.400 -0.250 0.000 0.809 332 E CB 0.207 29.884 29.700 -0.039 0.000 0.749 332 E HN 0.564 nan 8.360 nan 0.000 0.450 333 S N -0.133 115.473 115.700 -0.156 0.000 2.428 333 S HA -0.036 4.320 4.470 -0.191 0.000 0.230 333 S C 2.078 176.615 174.600 -0.105 0.000 1.014 333 S CA 1.074 59.218 58.200 -0.094 0.000 0.957 333 S CB 0.146 63.305 63.200 -0.070 0.000 0.784 333 S HN 0.012 nan 8.310 nan 0.000 0.499 334 S N 1.035 116.628 115.700 -0.178 0.000 2.371 334 S HA 0.439 4.795 4.470 -0.191 0.000 0.219 334 S C 1.746 176.267 174.600 -0.131 0.000 1.040 334 S CA 0.556 58.668 58.200 -0.146 0.000 0.958 334 S CB -0.771 62.323 63.200 -0.175 0.000 0.860 334 S HN 1.124 nan 8.310 nan 0.000 0.487 335 G N 1.911 110.542 108.800 -0.282 0.000 2.157 335 G HA2 -0.205 3.641 3.960 -0.191 0.000 0.239 335 G HA3 -0.205 3.641 3.960 -0.191 0.000 0.239 335 G C -0.010 174.859 174.900 -0.052 0.000 0.982 335 G CA -0.202 44.834 45.100 -0.106 0.000 0.650 335 G HN 0.438 nan 8.290 nan 0.000 0.527 336 R N -1.223 119.141 120.500 -0.227 0.000 2.873 336 R HA 0.670 4.896 4.340 -0.191 0.000 0.264 336 R C -0.850 175.335 176.300 -0.192 0.000 1.026 336 R CA -0.906 55.167 56.100 -0.045 0.000 1.002 336 R CB 1.037 31.340 30.300 0.005 0.000 1.174 336 R HN 0.116 nan 8.270 nan 0.000 0.488 337 W N 0.789 122.078 121.300 -0.019 0.000 2.496 337 W HA 0.391 4.937 4.660 -0.190 0.000 0.327 337 W C 0.428 176.920 176.519 -0.044 0.000 1.086 337 W CA -0.380 56.949 57.345 -0.027 0.000 1.222 337 W CB 0.981 30.430 29.460 -0.019 0.000 1.304 337 W HN 0.382 nan 8.180 nan 0.000 0.547 338 N N 2.269 121.053 118.700 0.140 0.000 2.346 338 N HA 0.369 4.995 4.740 -0.191 0.000 0.289 338 N C -1.694 173.855 175.510 0.066 0.000 1.027 338 N CA -0.489 52.601 53.050 0.066 0.000 0.864 338 N CB 1.183 39.670 38.487 0.000 0.000 1.370 338 N HN 0.427 nan 8.380 nan 0.000 0.481 339 c N 4.756 123.380 118.600 0.040 0.000 2.184 339 c HA 0.376 4.832 4.570 -0.191 0.000 0.328 339 c C 0.327 174.418 174.090 0.002 0.000 1.081 339 c CA -1.019 55.322 56.329 0.021 0.000 1.533 339 c CB -1.675 40.836 42.510 0.003 0.000 1.905 339 c HN 0.574 nan 8.230 nan 0.000 0.439 340 L N 2.596 123.824 121.223 0.007 0.000 2.578 340 L HA -0.014 4.211 4.340 -0.191 0.000 0.279 340 L C 1.534 178.396 176.870 -0.013 0.000 1.227 340 L CA 0.673 55.512 54.840 -0.003 0.000 0.900 340 L CB 0.239 42.301 42.059 0.005 0.000 1.144 340 L HN 0.565 nan 8.230 nan 0.000 0.496 341 V N 3.231 123.130 119.914 -0.025 0.000 2.759 341 V HA -0.228 3.777 4.120 -0.191 0.000 0.256 341 V C 2.115 178.181 176.094 -0.046 0.000 1.080 341 V CA 1.620 63.898 62.300 -0.037 0.000 1.101 341 V CB -0.851 30.948 31.823 -0.039 0.000 0.698 341 V HN 1.007 nan 8.190 nan 0.000 0.477 342 A N 0.026 122.824 122.820 -0.037 0.000 2.119 342 A HA -0.088 4.118 4.320 -0.191 0.000 0.217 342 A C 2.185 179.735 177.584 -0.057 0.000 1.153 342 A CA 0.893 52.902 52.037 -0.046 0.000 0.692 342 A CB -0.276 18.708 19.000 -0.026 0.000 0.799 342 A HN 0.516 nan 8.150 nan 0.000 0.458 343 R N -0.463 120.022 120.500 -0.025 0.000 2.334 343 R HA 0.139 4.365 4.340 -0.191 0.000 0.216 343 R C 0.203 176.506 176.300 0.005 0.000 0.905 343 R CA -0.135 55.981 56.100 0.027 0.000 1.064 343 R CB 0.108 30.462 30.300 0.090 0.000 1.046 343 R HN 0.576 nan 8.270 nan 0.000 0.508 344 Q N 0.864 120.612 119.800 -0.088 0.000 2.314 344 Q HA 0.072 4.298 4.340 -0.191 0.000 0.258 344 Q C -1.018 174.852 176.000 -0.216 0.000 0.954 344 Q CA 0.254 56.014 55.803 -0.071 0.000 0.890 344 Q CB 0.690 29.390 28.738 -0.062 0.000 1.210 344 Q HN 0.194 nan 8.270 nan 0.000 0.410 345 H N 2.303 121.357 119.070 -0.026 0.000 2.589 345 H HA 0.395 4.837 4.556 -0.191 0.000 0.335 345 H C -0.786 174.491 175.328 -0.084 0.000 1.019 345 H CA -0.431 55.597 56.048 -0.033 0.000 1.213 345 H CB 0.989 30.722 29.762 -0.049 0.000 1.472 345 H HN 0.488 nan 8.280 nan 0.000 0.508 346 I N 2.294 122.863 120.570 -0.001 0.000 2.385 346 I HA 0.240 4.295 4.170 -0.191 0.000 0.294 346 I C 0.055 176.118 176.117 -0.091 0.000 0.988 346 I CA -0.127 61.095 61.300 -0.130 0.000 1.265 346 I CB 1.184 39.102 38.000 -0.136 0.000 1.388 346 I HN 0.550 nan 8.210 nan 0.000 0.480 347 E N 7.788 127.875 120.200 -0.188 0.000 2.263 347 E HA 0.638 4.873 4.350 -0.191 0.000 0.268 347 E C -1.394 175.108 176.600 -0.163 0.000 0.884 347 E CA -0.683 55.657 56.400 -0.101 0.000 0.766 347 E CB 1.862 31.528 29.700 -0.057 0.000 1.196 347 E HN 0.624 nan 8.360 nan 0.000 0.416 348 M N 0.835 120.393 119.600 -0.071 0.000 2.843 348 M HA 0.635 5.001 4.480 -0.191 0.000 0.273 348 M C -1.084 175.218 176.300 0.003 0.000 1.286 348 M CA -0.966 54.322 55.300 -0.019 0.000 0.807 348 M CB 2.234 34.871 32.600 0.063 0.000 1.684 348 M HN 0.198 nan 8.290 nan 0.000 0.458 349 S N -0.863 114.843 115.700 0.009 0.000 2.546 349 S HA 0.546 4.901 4.470 -0.191 0.000 0.272 349 S C 0.123 174.703 174.600 -0.034 0.000 1.140 349 S CA 0.048 58.227 58.200 -0.035 0.000 0.920 349 S CB 1.758 64.894 63.200 -0.106 0.000 1.083 349 S HN 0.972 nan 8.310 nan 0.000 0.476 350 T N -0.098 114.434 114.554 -0.037 0.000 3.057 350 T HA 0.060 4.295 4.350 -0.191 0.000 0.254 350 T C 1.381 176.040 174.700 -0.068 0.000 1.094 350 T CA 1.051 63.131 62.100 -0.033 0.000 1.088 350 T CB -0.428 68.431 68.868 -0.015 0.000 0.934 350 T HN 0.705 nan 8.240 nan 0.000 0.497 351 T N -2.216 112.268 114.554 -0.115 0.000 3.054 351 T HA 0.642 4.878 4.350 -0.191 0.000 0.255 351 T C 0.964 175.409 174.700 -0.425 0.000 1.035 351 T CA 0.171 62.182 62.100 -0.148 0.000 0.941 351 T CB 0.552 69.408 68.868 -0.019 0.000 1.026 351 T HN 0.666 nan 8.240 nan 0.000 0.533 352 G N 0.627 109.070 108.800 -0.596 0.000 2.435 352 G HA2 0.439 4.284 3.960 -0.191 0.000 0.228 352 G HA3 0.439 4.284 3.960 -0.191 0.000 0.228 352 G C -1.639 173.036 174.900 -0.374 0.000 1.198 352 G CA -0.576 44.066 45.100 -0.764 0.000 0.948 352 G HN 0.472 nan 8.290 nan 0.000 0.487 353 W N -0.307 120.778 121.300 -0.359 0.000 2.166 353 W HA 0.748 5.293 4.660 -0.192 0.000 0.364 353 W C 0.046 176.519 176.519 -0.077 0.000 1.344 353 W CA -1.124 56.114 57.345 -0.178 0.000 1.471 353 W CB 0.790 30.121 29.460 -0.215 0.000 1.220 353 W HN 0.496 nan 8.180 nan 0.000 0.666 354 V N 3.136 123.106 119.914 0.094 0.000 2.407 354 V HA 0.726 4.732 4.120 -0.191 0.000 0.278 354 V C 0.448 176.587 176.094 0.075 0.000 1.037 354 V CA 0.454 62.764 62.300 0.017 0.000 0.900 354 V CB 0.151 31.989 31.823 0.025 0.000 0.983 354 V HN 1.624 nan 8.190 nan 0.000 0.459 355 G N 6.258 115.058 108.800 -0.000 0.000 2.829 355 G HA2 -0.214 3.631 3.960 -0.191 0.000 0.628 355 G HA3 -0.214 3.631 3.960 -0.191 0.000 0.628 355 G C 0.284 175.237 174.900 0.087 0.000 1.412 355 G CA 0.276 45.404 45.100 0.046 0.000 0.864 355 G HN 0.909 nan 8.290 nan 0.000 0.544 356 R N -0.714 119.834 120.500 0.080 0.000 2.070 356 R HA 0.062 4.288 4.340 -0.191 0.000 0.233 356 R C 1.860 178.099 176.300 -0.103 0.000 1.137 356 R CA 2.265 58.373 56.100 0.013 0.000 0.945 356 R CB -0.107 30.200 30.300 0.011 0.000 0.845 356 R HN 0.486 nan 8.270 nan 0.000 0.430 357 F N -1.094 118.989 119.950 0.222 0.000 2.880 357 F HA 0.267 4.678 4.527 -0.193 0.000 0.346 357 F C 0.102 175.928 175.800 0.044 0.000 1.054 357 F CA -0.509 57.568 58.000 0.127 0.000 1.151 357 F CB 0.820 39.895 39.000 0.126 0.000 1.066 357 F HN -0.104 nan 8.300 nan 0.000 0.566 358 R N -1.529 119.104 120.500 0.223 0.000 2.765 358 R HA 0.398 4.624 4.340 -0.191 0.000 0.277 358 R C -3.390 172.969 176.300 0.099 0.000 1.028 358 R CA -1.832 54.331 56.100 0.104 0.000 0.860 358 R CB 0.052 30.371 30.300 0.033 0.000 1.270 358 R HN -0.367 nan 8.270 nan 0.000 0.484 359 P HA -0.015 nan 4.420 nan 0.000 0.267 359 P C -0.382 176.942 177.300 0.041 0.000 1.201 359 P CA -0.015 63.104 63.100 0.031 0.000 0.775 359 P CB 0.768 32.460 31.700 -0.013 0.000 0.854 360 S N 1.186 116.916 115.700 0.050 0.000 2.603 360 S HA 0.133 4.489 4.470 -0.191 0.000 0.268 360 S C 0.026 174.644 174.600 0.030 0.000 1.317 360 S CA -0.630 57.617 58.200 0.078 0.000 1.012 360 S CB 0.045 63.310 63.200 0.108 0.000 0.926 360 S HN 0.452 nan 8.310 nan 0.000 0.539 361 E N 3.415 123.648 120.200 0.055 0.000 2.313 361 E HA 0.428 4.664 4.350 -0.191 0.000 0.272 361 E C -2.842 173.728 176.600 -0.051 0.000 1.038 361 E CA -2.233 54.147 56.400 -0.034 0.000 0.863 361 E CB 0.603 30.282 29.700 -0.036 0.000 1.060 361 E HN 0.277 nan 8.360 nan 0.000 0.402 362 P HA 0.260 nan 4.420 nan 0.000 0.281 362 P C -0.775 176.357 177.300 -0.279 0.000 1.249 362 P CA -0.297 62.634 63.100 -0.281 0.000 0.810 362 P CB 0.718 31.883 31.700 -0.891 0.000 1.008 363 H N 1.874 120.917 119.070 -0.045 0.000 2.638 363 H HA 0.307 4.748 4.556 -0.191 0.000 0.317 363 H C -0.367 175.038 175.328 0.127 0.000 1.006 363 H CA -0.321 55.797 56.048 0.116 0.000 1.222 363 H CB 0.492 30.367 29.762 0.188 0.000 1.419 363 H HN 0.313 nan 8.280 nan 0.000 0.489 364 F N 1.764 121.900 119.950 0.311 0.000 2.375 364 F HA 0.084 4.496 4.527 -0.191 0.000 0.333 364 F C 1.459 177.451 175.800 0.321 0.000 1.104 364 F CA -0.568 57.618 58.000 0.311 0.000 1.149 364 F CB 1.088 40.207 39.000 0.198 0.000 1.190 364 F HN 0.386 nan 8.300 nan 0.000 0.533 365 T N 0.817 115.672 114.554 0.502 0.000 2.860 365 T HA 0.098 4.333 4.350 -0.191 0.000 0.299 365 T C 1.168 176.064 174.700 0.328 0.000 1.045 365 T CA -0.797 61.535 62.100 0.387 0.000 1.071 365 T CB 0.800 69.877 68.868 0.349 0.000 0.985 365 T HN 0.633 nan 8.240 nan 0.000 0.537 366 L N 1.396 122.768 121.223 0.249 0.000 2.034 366 L HA -0.197 4.028 4.340 -0.191 0.000 0.217 366 L C 1.983 178.966 176.870 0.189 0.000 1.077 366 L CA 2.610 57.570 54.840 0.200 0.000 0.769 366 L CB -1.067 41.087 42.059 0.157 0.000 0.890 366 L HN 0.948 nan 8.230 nan 0.000 0.435 367 D N -0.948 119.563 120.400 0.186 0.000 2.352 367 D HA 0.064 4.590 4.640 -0.191 0.000 0.232 367 D C 1.558 177.966 176.300 0.180 0.000 1.055 367 D CA 0.642 54.740 54.000 0.163 0.000 0.891 367 D CB -0.917 39.967 40.800 0.140 0.000 0.897 367 D HN 0.529 nan 8.370 nan 0.000 0.529 368 G N 0.780 109.721 108.800 0.235 0.000 2.296 368 G HA2 -0.381 3.465 3.960 -0.191 0.000 0.282 368 G HA3 -0.381 3.465 3.960 -0.191 0.000 0.282 368 G C 0.856 175.933 174.900 0.294 0.000 1.014 368 G CA 0.582 45.831 45.100 0.247 0.000 0.812 368 G HN 0.390 nan 8.290 nan 0.000 0.508 369 N N -0.454 118.417 118.700 0.286 0.000 2.325 369 N HA 0.212 4.838 4.740 -0.191 0.000 0.182 369 N C 0.733 176.388 175.510 0.241 0.000 1.088 369 N CA 0.878 54.068 53.050 0.233 0.000 0.879 369 N CB 0.520 39.102 38.487 0.159 0.000 0.983 369 N HN 0.393 nan 8.380 nan 0.000 0.471 370 S N -0.567 115.315 115.700 0.303 0.000 2.651 370 S HA 0.745 5.101 4.470 -0.191 0.000 0.279 370 S C -1.333 173.415 174.600 0.247 0.000 1.148 370 S CA -0.786 57.498 58.200 0.139 0.000 0.837 370 S CB 1.725 64.987 63.200 0.105 0.000 1.138 370 S HN 0.201 nan 8.310 nan 0.000 0.478 371 F N -0.864 118.973 119.950 -0.187 0.000 2.693 371 F HA 0.748 5.161 4.527 -0.191 0.000 0.309 371 F C -2.210 173.433 175.800 -0.261 0.000 1.129 371 F CA -1.297 56.511 58.000 -0.320 0.000 0.948 371 F CB 0.628 39.062 39.000 -0.942 0.000 1.315 371 F HN 0.486 nan 8.300 nan 0.000 0.447 372 Y N 1.456 121.910 120.300 0.256 0.000 2.377 372 Y HA 0.687 5.123 4.550 -0.191 0.000 0.339 372 Y C -0.226 175.841 175.900 0.279 0.000 1.011 372 Y CA -0.800 57.436 58.100 0.225 0.000 1.093 372 Y CB 2.172 40.705 38.460 0.122 0.000 1.201 372 Y HN 0.758 nan 8.280 nan 0.000 0.455 373 K N 3.152 123.791 120.400 0.398 0.000 2.543 373 K HA 0.502 4.707 4.320 -0.191 0.000 0.255 373 K C -1.770 174.990 176.600 0.268 0.000 0.934 373 K CA -0.554 55.921 56.287 0.313 0.000 0.810 373 K CB 1.544 34.184 32.500 0.235 0.000 1.315 373 K HN 0.735 nan 8.250 nan 0.000 0.433 374 I N 6.389 127.082 120.570 0.206 0.000 2.452 374 I HA 0.238 4.293 4.170 -0.191 0.000 0.287 374 I C 0.241 176.460 176.117 0.169 0.000 1.079 374 I CA -0.233 61.168 61.300 0.168 0.000 1.387 374 I CB 0.257 38.333 38.000 0.126 0.000 1.404 374 I HN 0.520 nan 8.210 nan 0.000 0.522 375 I N 2.527 123.230 120.570 0.221 0.000 3.095 375 I HA 0.542 4.598 4.170 -0.191 0.000 0.310 375 I C -0.295 175.936 176.117 0.191 0.000 1.196 375 I CA -0.808 60.615 61.300 0.205 0.000 0.985 375 I CB 2.347 40.505 38.000 0.263 0.000 1.250 375 I HN 0.446 nan 8.210 nan 0.000 0.446 376 S N 2.363 118.109 115.700 0.077 0.000 2.523 376 S HA 0.328 4.683 4.470 -0.191 0.000 0.275 376 S C -0.077 174.494 174.600 -0.048 0.000 1.281 376 S CA -0.799 57.375 58.200 -0.044 0.000 1.050 376 S CB 0.283 63.400 63.200 -0.139 0.000 0.937 376 S HN 0.811 nan 8.310 nan 0.000 0.492 377 N N 1.670 120.179 118.700 -0.319 0.000 2.294 377 N HA -0.021 4.605 4.740 -0.191 0.000 0.248 377 N C 1.146 176.515 175.510 -0.236 0.000 1.300 377 N CA -0.334 52.352 53.050 -0.607 0.000 0.925 377 N CB 0.140 38.003 38.487 -1.039 0.000 1.188 377 N HN 0.726 nan 8.380 nan 0.000 0.512 378 E N -0.621 119.468 120.200 -0.184 0.000 2.393 378 E HA -0.286 3.950 4.350 -0.191 0.000 0.201 378 E C -0.177 176.367 176.600 -0.092 0.000 1.025 378 E CA 1.518 57.869 56.400 -0.082 0.000 0.856 378 E CB -0.597 29.075 29.700 -0.048 0.000 0.771 378 E HN 0.937 nan 8.360 nan 0.000 0.526 379 E N -0.910 119.224 120.200 -0.111 0.000 2.989 379 E HA 0.415 4.651 4.350 -0.191 0.000 0.207 379 E C 0.630 177.135 176.600 -0.159 0.000 0.989 379 E CA -0.044 56.307 56.400 -0.082 0.000 1.186 379 E CB 0.223 29.912 29.700 -0.018 0.000 1.141 379 E HN 0.142 nan 8.360 nan 0.000 0.454 380 G N 0.674 109.333 108.800 -0.235 0.000 2.162 380 G HA2 -0.326 3.520 3.960 -0.191 0.000 0.260 380 G HA3 -0.326 3.520 3.960 -0.191 0.000 0.260 380 G C -0.466 174.094 174.900 -0.565 0.000 0.976 380 G CA 0.268 45.125 45.100 -0.405 0.000 0.655 380 G HN 0.407 nan 8.290 nan 0.000 0.533 381 Y N 0.399 120.553 120.300 -0.242 0.000 2.328 381 Y HA 0.586 5.021 4.550 -0.192 0.000 0.337 381 Y C 1.186 176.892 175.900 -0.322 0.000 1.008 381 Y CA -0.921 57.014 58.100 -0.276 0.000 1.129 381 Y CB 1.016 39.343 38.460 -0.222 0.000 1.185 381 Y HN 0.062 nan 8.280 nan 0.000 0.476 382 R N 4.120 124.464 120.500 -0.260 0.000 2.296 382 R HA 0.220 4.446 4.340 -0.191 0.000 0.323 382 R C -0.727 175.264 176.300 -0.515 0.000 1.067 382 R CA 0.113 56.058 56.100 -0.258 0.000 0.946 382 R CB 0.045 30.247 30.300 -0.163 0.000 0.991 382 R HN 0.666 nan 8.270 nan 0.000 0.448 383 H N 1.778 120.781 119.070 -0.112 0.000 2.949 383 H HA 0.306 4.748 4.556 -0.190 0.000 0.356 383 H C -0.176 175.199 175.328 0.079 0.000 1.212 383 H CA -0.960 55.004 56.048 -0.140 0.000 1.136 383 H CB 1.581 31.140 29.762 -0.338 0.000 1.869 383 H HN 0.325 nan 8.280 nan 0.000 0.556 384 I N 1.426 122.074 120.570 0.130 0.000 2.436 384 I HA 0.009 4.065 4.170 -0.191 0.000 0.289 384 I C 0.426 176.617 176.117 0.124 0.000 1.083 384 I CA 0.199 61.554 61.300 0.092 0.000 1.372 384 I CB 0.174 38.129 38.000 -0.076 0.000 1.408 384 I HN 0.144 nan 8.210 nan 0.000 0.516 385 c N 7.155 125.798 118.600 0.071 0.000 2.341 385 c HA 0.331 4.787 4.570 -0.191 0.000 0.338 385 c C -0.180 173.790 174.090 -0.199 0.000 1.257 385 c CA -0.583 55.565 56.329 -0.303 0.000 1.883 385 c CB 0.478 42.569 42.510 -0.698 0.000 2.334 385 c HN 0.700 nan 8.230 nan 0.000 0.524 386 Y N 4.682 124.649 120.300 -0.554 0.000 2.341 386 Y HA 0.574 5.009 4.550 -0.191 0.000 0.340 386 Y C -0.868 174.549 175.900 -0.805 0.000 0.997 386 Y CA -0.558 57.168 58.100 -0.623 0.000 1.149 386 Y CB 0.351 38.561 38.460 -0.416 0.000 1.171 386 Y HN 0.668 nan 8.280 nan 0.000 0.494 387 F N 4.267 123.512 119.950 -1.175 0.000 2.495 387 F HA 0.356 4.768 4.527 -0.191 0.000 0.327 387 F C -0.285 174.792 175.800 -1.206 0.000 1.103 387 F CA -0.953 56.289 58.000 -1.264 0.000 0.949 387 F CB 1.552 39.406 39.000 -1.909 0.000 1.142 387 F HN 0.381 nan 8.300 nan 0.000 0.457 388 Q N 2.607 122.054 119.800 -0.588 0.000 2.235 388 Q HA 0.248 4.474 4.340 -0.191 0.000 0.250 388 Q C 0.985 176.968 176.000 -0.029 0.000 0.909 388 Q CA -0.379 55.235 55.803 -0.315 0.000 0.910 388 Q CB 2.051 30.653 28.738 -0.228 0.000 1.223 388 Q HN 0.759 nan 8.270 nan 0.000 0.432 389 I N 1.450 122.089 120.570 0.115 0.000 2.454 389 I HA -0.263 3.792 4.170 -0.191 0.000 0.254 389 I C 0.985 177.281 176.117 0.298 0.000 1.156 389 I CA 1.460 62.955 61.300 0.326 0.000 1.433 389 I CB 0.235 38.417 38.000 0.303 0.000 1.082 389 I HN 0.519 nan 8.210 nan 0.000 0.432 390 D N -0.541 119.947 120.400 0.146 0.000 2.301 390 D HA 0.016 4.541 4.640 -0.191 0.000 0.206 390 D C 0.936 177.254 176.300 0.031 0.000 0.979 390 D CA 0.436 54.479 54.000 0.071 0.000 0.874 390 D CB 0.159 40.980 40.800 0.035 0.000 0.968 390 D HN 0.023 nan 8.370 nan 0.000 0.510 391 K N 0.978 121.408 120.400 0.050 0.000 2.110 391 K HA 0.234 4.440 4.320 -0.191 0.000 0.263 391 K C 0.756 177.391 176.600 0.059 0.000 0.975 391 K CA -0.376 55.915 56.287 0.007 0.000 0.895 391 K CB 1.543 34.014 32.500 -0.049 0.000 1.060 391 K HN -0.395 nan 8.250 nan 0.000 0.448 392 K N 0.775 121.166 120.400 -0.014 0.000 2.031 392 K HA 0.048 4.254 4.320 -0.191 0.000 0.205 392 K C -0.269 176.363 176.600 0.054 0.000 1.049 392 K CA 1.263 57.555 56.287 0.008 0.000 0.939 392 K CB 0.042 32.522 32.500 -0.033 0.000 0.717 392 K HN 0.640 nan 8.250 nan 0.000 0.438 393 D N 0.485 120.851 120.400 -0.057 0.000 2.350 393 D HA 0.063 4.589 4.640 -0.191 0.000 0.249 393 D C 0.112 176.203 176.300 -0.347 0.000 1.119 393 D CA -0.106 53.797 54.000 -0.163 0.000 0.886 393 D CB 0.903 41.619 40.800 -0.140 0.000 1.195 393 D HN 0.275 nan 8.370 nan 0.000 0.437 394 c N 0.080 118.307 118.600 -0.622 0.000 2.531 394 c HA 0.872 5.328 4.570 -0.191 0.000 0.369 394 c C 0.291 173.972 174.090 -0.682 0.000 1.258 394 c CA -0.805 54.957 56.329 -0.944 0.000 1.876 394 c CB 1.097 42.418 42.510 -1.981 0.000 2.256 394 c HN 0.647 nan 8.230 nan 0.000 0.510 395 T N -1.182 113.029 114.554 -0.572 0.000 2.807 395 T HA 0.624 4.860 4.350 -0.191 0.000 0.279 395 T C -0.869 173.590 174.700 -0.401 0.000 0.993 395 T CA -0.215 61.678 62.100 -0.344 0.000 0.970 395 T CB 0.645 69.465 68.868 -0.079 0.000 0.950 395 T HN 0.499 nan 8.240 nan 0.000 0.441 396 F N 2.790 122.630 119.950 -0.184 0.000 2.456 396 F HA 0.316 4.729 4.527 -0.191 0.000 0.358 396 F C 1.646 177.284 175.800 -0.270 0.000 1.095 396 F CA -1.199 56.674 58.000 -0.213 0.000 1.216 396 F CB 0.610 39.483 39.000 -0.211 0.000 1.125 396 F HN 0.689 nan 8.300 nan 0.000 0.549 397 I N -0.676 119.761 120.570 -0.221 0.000 3.783 397 I HA 0.182 4.238 4.170 -0.191 0.000 0.310 397 I C 0.374 176.281 176.117 -0.350 0.000 1.274 397 I CA 0.170 61.094 61.300 -0.625 0.000 1.294 397 I CB 0.013 37.322 38.000 -1.152 0.000 1.051 397 I HN 0.482 nan 8.210 nan 0.000 0.435 398 T N -0.629 113.794 114.554 -0.219 0.000 2.908 398 T HA 0.627 4.863 4.350 -0.191 0.000 0.290 398 T C -0.587 173.757 174.700 -0.592 0.000 1.034 398 T CA -0.737 61.225 62.100 -0.229 0.000 1.010 398 T CB 2.663 71.464 68.868 -0.111 0.000 1.068 398 T HN 0.181 nan 8.240 nan 0.000 0.481 399 K N 0.095 120.051 120.400 -0.740 0.000 2.512 399 K HA 0.780 4.986 4.320 -0.191 0.000 0.263 399 K C -0.554 175.424 176.600 -1.036 0.000 0.966 399 K CA -0.981 54.661 56.287 -1.076 0.000 0.851 399 K CB 2.470 34.670 32.500 -0.500 0.000 1.395 399 K HN 1.245 nan 8.250 nan 0.000 0.440 400 G N -0.411 107.763 108.800 -1.044 0.000 2.361 400 G HA2 -0.011 3.834 3.960 -0.191 0.000 0.305 400 G HA3 -0.011 3.834 3.960 -0.191 0.000 0.305 400 G C -0.656 173.672 174.900 -0.953 0.000 1.367 400 G CA -0.610 44.019 45.100 -0.786 0.000 0.951 400 G HN 0.467 nan 8.290 nan 0.000 0.615 401 T N -0.678 113.463 114.554 -0.688 0.000 3.419 401 T HA 0.545 4.780 4.350 -0.191 0.000 0.228 401 T C 0.311 174.721 174.700 -0.483 0.000 0.939 401 T CA 0.342 61.843 62.100 -0.999 0.000 0.992 401 T CB -0.842 67.761 68.868 -0.443 0.000 1.186 401 T HN 1.208 nan 8.240 nan 0.000 0.612 402 W N -0.358 120.687 121.300 -0.424 0.000 3.069 402 W HA 0.737 5.282 4.660 -0.192 0.000 0.390 402 W C -1.240 175.215 176.519 -0.108 0.000 1.130 402 W CA -1.049 56.216 57.345 -0.133 0.000 1.138 402 W CB 0.741 30.145 29.460 -0.093 0.000 1.497 402 W HN 0.065 nan 8.180 nan 0.000 0.600 403 E N 0.622 120.968 120.200 0.244 0.000 2.383 403 E HA 0.417 4.653 4.350 -0.191 0.000 0.275 403 E C -1.344 175.370 176.600 0.189 0.000 0.918 403 E CA -1.049 55.300 56.400 -0.085 0.000 0.764 403 E CB 3.438 33.146 29.700 0.013 0.000 1.252 403 E HN 0.136 nan 8.360 nan 0.000 0.449 404 V N 3.777 123.684 119.914 -0.012 0.000 2.498 404 V HA 0.043 4.049 4.120 -0.191 0.000 0.279 404 V C 1.198 177.402 176.094 0.182 0.000 1.048 404 V CA -0.105 62.304 62.300 0.182 0.000 0.967 404 V CB 0.651 32.490 31.823 0.027 0.000 0.988 404 V HN 0.659 nan 8.190 nan 0.000 0.473 405 I N 3.221 123.933 120.570 0.238 0.000 2.270 405 I HA 0.242 4.298 4.170 -0.191 0.000 0.239 405 I C 1.160 177.414 176.117 0.228 0.000 1.080 405 I CA 1.209 62.650 61.300 0.235 0.000 1.383 405 I CB -0.928 37.163 38.000 0.153 0.000 1.097 405 I HN 0.714 nan 8.210 nan 0.000 0.420 406 G N 0.748 109.680 108.800 0.220 0.000 2.706 406 G HA2 0.607 4.452 3.960 -0.191 0.000 0.297 406 G HA3 0.607 4.452 3.960 -0.191 0.000 0.297 406 G C -1.075 173.936 174.900 0.184 0.000 1.403 406 G CA -0.493 44.731 45.100 0.206 0.000 0.954 406 G HN 0.012 nan 8.290 nan 0.000 0.500 407 I N 1.898 122.519 120.570 0.085 0.000 2.379 407 I HA 0.150 4.205 4.170 -0.191 0.000 0.290 407 I C 0.826 176.906 176.117 -0.062 0.000 1.063 407 I CA -0.328 60.922 61.300 -0.085 0.000 1.351 407 I CB 1.396 39.106 38.000 -0.483 0.000 1.410 407 I HN 0.489 nan 8.210 nan 0.000 0.505 408 E N 5.303 125.527 120.200 0.041 0.000 2.364 408 E HA 0.322 4.558 4.350 -0.191 0.000 0.196 408 E C 0.209 176.754 176.600 -0.092 0.000 0.990 408 E CA 0.155 56.615 56.400 0.101 0.000 0.886 408 E CB 0.744 30.607 29.700 0.273 0.000 0.866 408 E HN 0.701 nan 8.360 nan 0.000 0.493 409 A N 0.722 123.405 122.820 -0.228 0.000 2.586 409 A HA 0.542 4.747 4.320 -0.191 0.000 0.296 409 A C -1.665 175.846 177.584 -0.122 0.000 1.040 409 A CA -0.849 50.993 52.037 -0.325 0.000 0.701 409 A CB 0.580 18.963 19.000 -1.028 0.000 1.277 409 A HN 0.125 nan 8.150 nan 0.000 0.413 410 L N 0.454 121.655 121.223 -0.036 0.000 2.401 410 L HA 1.009 5.234 4.340 -0.191 0.000 0.266 410 L C -0.089 176.820 176.870 0.065 0.000 0.991 410 L CA 0.007 54.856 54.840 0.015 0.000 0.818 410 L CB 2.319 44.357 42.059 -0.034 0.000 1.321 410 L HN 1.191 nan 8.230 nan 0.000 0.413 411 T N -0.786 113.826 114.554 0.095 0.000 2.678 411 T HA 0.442 4.678 4.350 -0.191 0.000 0.260 411 T C 0.917 175.670 174.700 0.090 0.000 0.932 411 T CA 0.099 62.266 62.100 0.111 0.000 1.043 411 T CB 1.007 69.972 68.868 0.161 0.000 1.413 411 T HN 0.632 nan 8.240 nan 0.000 0.568 412 S N 0.726 116.478 115.700 0.085 0.000 2.348 412 S HA -0.067 4.289 4.470 -0.191 0.000 0.221 412 S C 1.266 175.859 174.600 -0.013 0.000 1.033 412 S CA 1.853 60.085 58.200 0.053 0.000 1.010 412 S CB -0.658 62.574 63.200 0.053 0.000 0.891 412 S HN 0.820 nan 8.310 nan 0.000 0.442 413 D N -1.231 119.140 120.400 -0.050 0.000 2.355 413 D HA 0.222 4.748 4.640 -0.191 0.000 0.206 413 D C -0.408 175.569 176.300 -0.539 0.000 1.010 413 D CA 0.443 54.268 54.000 -0.293 0.000 0.875 413 D CB 0.297 40.877 40.800 -0.367 0.000 0.966 413 D HN 0.352 nan 8.370 nan 0.000 0.512 414 Y N 0.023 120.276 120.300 -0.078 0.000 2.512 414 Y HA 0.439 4.875 4.550 -0.190 0.000 0.348 414 Y C -0.806 174.946 175.900 -0.246 0.000 0.990 414 Y CA -1.347 56.630 58.100 -0.204 0.000 1.033 414 Y CB 2.064 40.332 38.460 -0.320 0.000 1.259 414 Y HN -0.220 nan 8.280 nan 0.000 0.461 415 L N 3.456 124.580 121.223 -0.165 0.000 2.341 415 L HA 0.524 4.750 4.340 -0.191 0.000 0.278 415 L C -1.882 174.863 176.870 -0.210 0.000 1.005 415 L CA -1.063 53.656 54.840 -0.202 0.000 0.818 415 L CB 0.821 42.679 42.059 -0.334 0.000 1.259 415 L HN 0.653 nan 8.230 nan 0.000 0.418 416 Y N 5.749 125.998 120.300 -0.086 0.000 2.352 416 Y HA 0.556 4.991 4.550 -0.191 0.000 0.339 416 Y C -0.376 175.551 175.900 0.044 0.000 0.992 416 Y CA -0.398 57.655 58.100 -0.077 0.000 1.100 416 Y CB 1.545 39.845 38.460 -0.267 0.000 1.192 416 Y HN 0.563 nan 8.280 nan 0.000 0.458 417 Y N 1.260 121.623 120.300 0.104 0.000 2.571 417 Y HA 0.735 5.170 4.550 -0.191 0.000 0.341 417 Y C -1.809 174.182 175.900 0.152 0.000 1.076 417 Y CA -1.693 56.464 58.100 0.095 0.000 1.029 417 Y CB 1.106 39.597 38.460 0.051 0.000 1.308 417 Y HN 0.303 nan 8.280 nan 0.000 0.461 418 I N 3.694 124.405 120.570 0.235 0.000 2.359 418 I HA 0.541 4.596 4.170 -0.191 0.000 0.294 418 I C -0.017 176.257 176.117 0.263 0.000 0.987 418 I CA -0.085 61.307 61.300 0.154 0.000 1.225 418 I CB 1.442 39.508 38.000 0.110 0.000 1.366 418 I HN 0.906 nan 8.210 nan 0.000 0.466 419 S N 4.430 120.255 115.700 0.209 0.000 2.671 419 S HA 0.473 4.828 4.470 -0.191 0.000 0.277 419 S C -0.400 174.247 174.600 0.078 0.000 1.165 419 S CA -0.796 57.521 58.200 0.196 0.000 0.822 419 S CB 1.974 65.298 63.200 0.206 0.000 1.150 419 S HN 0.588 nan 8.310 nan 0.000 0.479 420 N N -0.430 118.313 118.700 0.071 0.000 2.458 420 N HA 0.175 4.801 4.740 -0.191 0.000 0.274 420 N C 0.428 175.902 175.510 -0.060 0.000 1.242 420 N CA -0.400 52.652 53.050 0.004 0.000 0.904 420 N CB 0.382 38.868 38.487 -0.002 0.000 1.206 420 N HN 0.806 nan 8.380 nan 0.000 0.510 421 E N 0.064 120.073 120.200 -0.319 0.000 2.072 421 E HA -0.157 4.078 4.350 -0.191 0.000 0.190 421 E C -0.404 176.036 176.600 -0.267 0.000 0.982 421 E CA 0.090 56.066 56.400 -0.707 0.000 0.803 421 E CB -0.080 28.582 29.700 -1.730 0.000 0.755 421 E HN 0.505 nan 8.360 nan 0.000 0.453 422 Y N 2.375 122.574 120.300 -0.169 0.000 2.846 422 Y HA -0.181 4.254 4.550 -0.193 0.000 0.352 422 Y C 0.187 176.050 175.900 -0.062 0.000 1.298 422 Y CA 0.825 58.883 58.100 -0.070 0.000 1.634 422 Y CB 0.015 38.462 38.460 -0.021 0.000 1.214 422 Y HN 0.083 nan 8.280 nan 0.000 0.529 423 K N 3.406 123.530 120.400 -0.461 0.000 3.341 423 K HA -0.224 3.982 4.320 -0.191 0.000 0.305 423 K C 0.724 177.254 176.600 -0.118 0.000 1.270 423 K CA 0.721 56.790 56.287 -0.363 0.000 0.897 423 K CB -1.996 30.223 32.500 -0.469 0.000 1.264 423 K HN 1.255 nan 8.250 nan 0.000 0.468 424 G N 1.098 109.843 108.800 -0.091 0.000 2.305 424 G HA2 -0.317 3.529 3.960 -0.191 0.000 0.287 424 G HA3 -0.317 3.529 3.960 -0.191 0.000 0.287 424 G C 0.021 174.913 174.900 -0.014 0.000 1.036 424 G CA 0.868 45.963 45.100 -0.009 0.000 0.887 424 G HN 0.336 nan 8.290 nan 0.000 0.505 425 M N -0.184 119.336 119.600 -0.133 0.000 2.055 425 M HA 0.245 4.610 4.480 -0.191 0.000 0.346 425 M C -1.386 174.680 176.300 -0.391 0.000 1.074 425 M CA -2.046 53.023 55.300 -0.384 0.000 1.009 425 M CB 1.823 34.281 32.600 -0.237 0.000 1.423 425 M HN -0.130 nan 8.290 nan 0.000 0.410 426 P HA -0.088 nan 4.420 nan 0.000 0.221 426 P C 1.181 178.330 177.300 -0.251 0.000 1.145 426 P CA 1.020 63.932 63.100 -0.313 0.000 0.795 426 P CB 0.233 31.721 31.700 -0.354 0.000 0.775 427 G N -1.237 107.363 108.800 -0.334 0.000 3.088 427 G HA2 0.245 4.091 3.960 -0.191 0.000 0.217 427 G HA3 0.245 4.091 3.960 -0.191 0.000 0.217 427 G C 0.692 175.585 174.900 -0.011 0.000 1.159 427 G CA 0.073 45.097 45.100 -0.127 0.000 0.760 427 G HN 0.363 nan 8.290 nan 0.000 0.550 428 G N -0.138 108.605 108.800 -0.095 0.000 2.477 428 G HA2 0.611 4.456 3.960 -0.191 0.000 0.304 428 G HA3 0.611 4.456 3.960 -0.191 0.000 0.304 428 G C -0.697 174.079 174.900 -0.207 0.000 1.175 428 G CA -0.677 44.389 45.100 -0.057 0.000 0.907 428 G HN 0.093 nan 8.290 nan 0.000 0.509 429 R N 0.507 120.851 120.500 -0.261 0.000 2.522 429 R HA 0.326 4.551 4.340 -0.191 0.000 0.283 429 R C -1.410 174.845 176.300 -0.075 0.000 1.074 429 R CA -0.785 55.135 56.100 -0.300 0.000 0.925 429 R CB 1.857 31.718 30.300 -0.732 0.000 1.205 429 R HN 0.670 nan 8.270 nan 0.000 0.436 430 N N 0.665 119.343 118.700 -0.037 0.000 2.284 430 N HA 0.410 5.035 4.740 -0.191 0.000 0.289 430 N C -1.378 173.980 175.510 -0.254 0.000 1.179 430 N CA -0.815 52.120 53.050 -0.192 0.000 0.774 430 N CB 2.003 40.259 38.487 -0.385 0.000 1.548 430 N HN 0.272 nan 8.380 nan 0.000 0.473 431 L N 2.231 123.169 121.223 -0.476 0.000 2.331 431 L HA 0.467 4.692 4.340 -0.191 0.000 0.278 431 L C -1.513 174.975 176.870 -0.638 0.000 1.106 431 L CA 0.169 54.764 54.840 -0.409 0.000 0.824 431 L CB -0.317 41.502 42.059 -0.401 0.000 1.142 431 L HN 0.511 nan 8.230 nan 0.000 0.443 432 Y N 3.702 123.659 120.300 -0.573 0.000 2.598 432 Y HA 0.568 5.003 4.550 -0.192 0.000 0.340 432 Y C -0.313 175.250 175.900 -0.561 0.000 1.038 432 Y CA -0.799 56.897 58.100 -0.673 0.000 1.100 432 Y CB 1.710 39.508 38.460 -1.105 0.000 1.281 432 Y HN 0.483 nan 8.280 nan 0.000 0.488 433 K N 2.892 123.150 120.400 -0.237 0.000 2.578 433 K HA 0.501 4.707 4.320 -0.191 0.000 0.250 433 K C -2.047 174.530 176.600 -0.038 0.000 0.955 433 K CA -0.422 55.672 56.287 -0.320 0.000 0.825 433 K CB 1.371 33.599 32.500 -0.455 0.000 1.151 433 K HN 0.787 nan 8.250 nan 0.000 0.432 434 I N 3.438 124.048 120.570 0.066 0.000 2.404 434 I HA 0.210 4.266 4.170 -0.191 0.000 0.293 434 I C -0.486 175.705 176.117 0.123 0.000 0.992 434 I CA -0.655 60.737 61.300 0.153 0.000 1.149 434 I CB 1.646 39.753 38.000 0.178 0.000 1.315 434 I HN 0.727 nan 8.210 nan 0.000 0.446 435 Q N 5.718 125.578 119.800 0.101 0.000 2.293 435 Q HA 0.105 4.331 4.340 -0.191 0.000 0.263 435 Q C 0.147 176.087 176.000 -0.100 0.000 1.002 435 Q CA -0.573 55.134 55.803 -0.161 0.000 0.910 435 Q CB 1.246 29.896 28.738 -0.146 0.000 1.185 435 Q HN 0.756 nan 8.270 nan 0.000 0.401 436 L N 3.187 124.290 121.223 -0.200 0.000 2.353 436 L HA -0.148 4.077 4.340 -0.191 0.000 0.220 436 L C 1.890 178.684 176.870 -0.127 0.000 1.133 436 L CA 1.712 56.506 54.840 -0.076 0.000 0.798 436 L CB -0.537 41.444 42.059 -0.131 0.000 0.922 436 L HN 0.750 nan 8.230 nan 0.000 0.445 437 S N -3.645 111.931 115.700 -0.207 0.000 2.539 437 S HA 0.182 4.538 4.470 -0.191 0.000 0.221 437 S C 0.337 174.767 174.600 -0.282 0.000 0.987 437 S CA -0.382 57.673 58.200 -0.242 0.000 0.929 437 S CB 0.426 63.520 63.200 -0.176 0.000 0.832 437 S HN 0.293 nan 8.310 nan 0.000 0.492 438 D N 0.098 120.352 120.400 -0.244 0.000 2.365 438 D HA 0.252 4.777 4.640 -0.191 0.000 0.235 438 D C -0.380 175.904 176.300 -0.027 0.000 1.368 438 D CA -0.480 53.407 54.000 -0.188 0.000 1.001 438 D CB 0.443 41.183 40.800 -0.100 0.000 1.364 438 D HN -0.071 nan 8.370 nan 0.000 0.577 439 Y N 0.992 121.272 120.300 -0.034 0.000 2.333 439 Y HA -0.114 4.322 4.550 -0.190 0.000 0.290 439 Y C 2.557 178.462 175.900 0.008 0.000 1.144 439 Y CA 1.548 59.639 58.100 -0.016 0.000 1.228 439 Y CB -0.890 37.560 38.460 -0.016 0.000 0.985 439 Y HN 0.429 nan 8.280 nan 0.000 0.542 440 T N -2.490 112.149 114.554 0.143 0.000 3.160 440 T HA -0.011 4.225 4.350 -0.191 0.000 0.257 440 T C 0.694 175.443 174.700 0.082 0.000 1.147 440 T CA 0.165 62.322 62.100 0.095 0.000 1.064 440 T CB -0.229 68.671 68.868 0.054 0.000 0.949 440 T HN 0.084 nan 8.240 nan 0.000 0.526 441 K N 1.989 122.441 120.400 0.086 0.000 2.229 441 K HA 0.468 4.673 4.320 -0.191 0.000 0.247 441 K C -1.246 175.424 176.600 0.117 0.000 1.117 441 K CA -0.288 56.049 56.287 0.084 0.000 1.036 441 K CB 1.066 33.604 32.500 0.063 0.000 1.654 441 K HN 0.141 nan 8.250 nan 0.000 0.405 442 V N 2.420 122.402 119.914 0.113 0.000 2.417 442 V HA 0.243 4.249 4.120 -0.191 0.000 0.291 442 V C -0.113 176.036 176.094 0.092 0.000 1.024 442 V CA -0.581 61.798 62.300 0.132 0.000 0.861 442 V CB 1.932 33.855 31.823 0.167 0.000 0.985 442 V HN 0.562 nan 8.190 nan 0.000 0.436 443 T N 3.368 117.949 114.554 0.044 0.000 2.797 443 T HA 0.276 4.511 4.350 -0.191 0.000 0.279 443 T C -0.330 174.299 174.700 -0.120 0.000 0.991 443 T CA -0.336 61.741 62.100 -0.038 0.000 0.979 443 T CB 1.350 70.160 68.868 -0.096 0.000 0.943 443 T HN 0.721 nan 8.240 nan 0.000 0.444 444 C N 4.446 123.615 119.300 -0.218 0.000 2.499 444 C HA 0.425 4.771 4.460 -0.191 0.000 0.386 444 C C 1.584 176.269 174.990 -0.509 0.000 1.293 444 C CA -0.523 58.128 59.018 -0.612 0.000 1.884 444 C CB -1.640 25.668 27.740 -0.720 0.000 2.509 444 C HN 0.991 nan 8.230 nan 0.000 0.566 445 L N 4.464 125.339 121.223 -0.580 0.000 2.554 445 L HA 0.109 4.335 4.340 -0.191 0.000 0.225 445 L C 2.046 178.598 176.870 -0.529 0.000 1.104 445 L CA 0.742 55.317 54.840 -0.442 0.000 0.866 445 L CB -0.110 41.733 42.059 -0.359 0.000 1.047 445 L HN 0.885 nan 8.230 nan 0.000 0.468 446 S N -3.360 111.911 115.700 -0.715 0.000 2.604 446 S HA -0.002 4.354 4.470 -0.191 0.000 0.235 446 S C 1.750 175.904 174.600 -0.744 0.000 1.043 446 S CA -0.180 57.483 58.200 -0.896 0.000 0.997 446 S CB -0.264 62.050 63.200 -1.478 0.000 0.956 446 S HN 0.264 nan 8.310 nan 0.000 0.535 447 C N 2.036 120.899 119.300 -0.728 0.000 2.398 447 C HA 0.043 4.389 4.460 -0.191 0.000 0.276 447 C C 2.553 177.225 174.990 -0.530 0.000 1.222 447 C CA 1.449 59.974 59.018 -0.822 0.000 1.746 447 C CB -0.961 26.185 27.740 -0.990 0.000 2.039 447 C HN 0.614 nan 8.230 nan 0.000 0.470 448 E N -0.060 119.928 120.200 -0.353 0.000 2.474 448 E HA 0.180 4.416 4.350 -0.191 0.000 0.195 448 E C 1.922 178.450 176.600 -0.120 0.000 1.039 448 E CA -0.035 56.255 56.400 -0.183 0.000 0.881 448 E CB -0.272 29.348 29.700 -0.133 0.000 0.970 448 E HN 0.538 nan 8.360 nan 0.000 0.486 449 L N 0.229 121.366 121.223 -0.144 0.000 2.013 449 L HA -0.130 4.095 4.340 -0.191 0.000 0.212 449 L C 0.935 177.798 176.870 -0.010 0.000 1.073 449 L CA 1.096 55.894 54.840 -0.069 0.000 0.753 449 L CB -0.036 41.984 42.059 -0.065 0.000 0.890 449 L HN 0.116 nan 8.230 nan 0.000 0.432 450 N N -1.608 117.102 118.700 0.015 0.000 2.785 450 N HA 0.096 4.722 4.740 -0.191 0.000 0.224 450 N C -2.130 173.397 175.510 0.029 0.000 1.448 450 N CA -0.773 52.291 53.050 0.023 0.000 0.748 450 N CB 0.871 39.375 38.487 0.029 0.000 1.385 450 N HN -0.140 nan 8.380 nan 0.000 0.538 451 P HA -0.096 nan 4.420 nan 0.000 0.220 451 P C 0.956 178.293 177.300 0.062 0.000 1.148 451 P CA 1.012 64.143 63.100 0.052 0.000 0.803 451 P CB 0.812 32.555 31.700 0.071 0.000 0.782 452 E N 0.118 120.339 120.200 0.036 0.000 2.112 452 E HA -0.130 4.106 4.350 -0.191 0.000 0.190 452 E C 2.204 178.808 176.600 0.008 0.000 0.979 452 E CA 0.613 57.028 56.400 0.026 0.000 0.814 452 E CB 0.076 29.784 29.700 0.014 0.000 0.762 452 E HN 0.146 nan 8.360 nan 0.000 0.460 453 R N -1.289 119.204 120.500 -0.012 0.000 2.308 453 R HA 0.220 4.445 4.340 -0.191 0.000 0.202 453 R C -0.342 175.919 176.300 -0.066 0.000 0.898 453 R CA 0.123 56.196 56.100 -0.045 0.000 1.046 453 R CB 0.291 30.548 30.300 -0.072 0.000 1.026 453 R HN -0.046 nan 8.270 nan 0.000 0.512 454 c N 1.345 119.917 118.600 -0.047 0.000 2.316 454 c HA 0.440 4.896 4.570 -0.191 0.000 0.324 454 c C -0.103 173.973 174.090 -0.024 0.000 1.226 454 c CA -0.502 55.753 56.329 -0.123 0.000 1.450 454 c CB 1.173 43.595 42.510 -0.148 0.000 2.123 454 c HN 0.609 nan 8.230 nan 0.000 0.454 455 Q N 0.574 120.346 119.800 -0.046 0.000 2.081 455 Q HA 0.204 4.429 4.340 -0.191 0.000 0.220 455 Q C -1.034 175.016 176.000 0.084 0.000 0.775 455 Q CA 0.073 55.921 55.803 0.075 0.000 0.983 455 Q CB 1.227 30.032 28.738 0.112 0.000 1.188 455 Q HN 0.793 nan 8.270 nan 0.000 0.458 456 Y N 0.383 120.571 120.300 -0.186 0.000 2.402 456 Y HA 0.397 4.838 4.550 -0.182 0.000 0.325 456 Y C -1.626 174.120 175.900 -0.256 0.000 1.009 456 Y CA -0.959 57.060 58.100 -0.135 0.000 1.278 456 Y CB 0.750 39.147 38.460 -0.106 0.000 1.105 456 Y HN -0.080 nan 8.280 nan 0.000 0.476 457 Y N 2.381 122.607 120.300 -0.123 0.000 2.509 457 Y HA 0.673 5.111 4.550 -0.187 0.000 0.341 457 Y C 0.098 175.958 175.900 -0.067 0.000 1.038 457 Y CA -0.535 57.518 58.100 -0.078 0.000 1.089 457 Y CB 2.313 40.689 38.460 -0.140 0.000 1.241 457 Y HN 0.523 nan 8.280 nan 0.000 0.468 458 S N 0.858 116.662 115.700 0.174 0.000 2.627 458 S HA 0.850 5.206 4.470 -0.191 0.000 0.283 458 S C -1.770 172.909 174.600 0.132 0.000 1.127 458 S CA -0.791 57.492 58.200 0.139 0.000 0.863 458 S CB 1.778 65.071 63.200 0.156 0.000 1.121 458 S HN 0.605 nan 8.310 nan 0.000 0.479 459 V N 0.405 120.388 119.914 0.116 0.000 2.962 459 V HA 0.875 4.881 4.120 -0.191 0.000 0.313 459 V C -1.074 175.089 176.094 0.116 0.000 1.099 459 V CA -0.341 61.990 62.300 0.051 0.000 0.971 459 V CB 2.327 34.070 31.823 -0.132 0.000 1.028 459 V HN 1.143 nan 8.190 nan 0.000 0.430 460 S N 4.492 120.254 115.700 0.103 0.000 2.756 460 S HA 0.663 5.018 4.470 -0.191 0.000 0.303 460 S C -1.150 173.566 174.600 0.193 0.000 1.135 460 S CA -0.389 57.967 58.200 0.260 0.000 1.066 460 S CB 0.400 63.825 63.200 0.375 0.000 1.008 460 S HN 0.494 nan 8.310 nan 0.000 0.482 461 F N 2.963 122.956 119.950 0.072 0.000 2.371 461 F HA 0.433 4.845 4.527 -0.191 0.000 0.329 461 F C 1.434 176.802 175.800 -0.721 0.000 1.107 461 F CA -0.221 57.657 58.000 -0.203 0.000 1.137 461 F CB 1.303 40.183 39.000 -0.201 0.000 1.214 461 F HN 0.620 nan 8.300 nan 0.000 0.536 462 S N 1.269 116.424 115.700 -0.908 0.000 2.617 462 S HA 0.111 4.466 4.470 -0.191 0.000 0.255 462 S C 1.153 175.550 174.600 -0.339 0.000 1.318 462 S CA -0.654 56.811 58.200 -1.225 0.000 0.978 462 S CB 0.711 63.313 63.200 -0.997 0.000 0.961 462 S HN 0.599 nan 8.310 nan 0.000 0.582 463 K N 0.243 120.565 120.400 -0.130 0.000 2.281 463 K HA -0.009 4.197 4.320 -0.191 0.000 0.203 463 K C 1.226 177.845 176.600 0.031 0.000 1.046 463 K CA 1.767 58.068 56.287 0.022 0.000 0.938 463 K CB -0.267 32.279 32.500 0.076 0.000 0.737 463 K HN 0.815 nan 8.250 nan 0.000 0.458 464 E N -2.208 118.003 120.200 0.018 0.000 3.029 464 E HA 0.315 4.550 4.350 -0.191 0.000 0.196 464 E C -0.643 175.961 176.600 0.006 0.000 0.973 464 E CA 0.453 56.874 56.400 0.036 0.000 1.242 464 E CB 0.443 30.187 29.700 0.074 0.000 1.056 464 E HN 0.170 nan 8.360 nan 0.000 0.469 465 A N 0.607 123.411 122.820 -0.026 0.000 2.861 465 A HA -0.324 3.881 4.320 -0.191 0.000 0.261 465 A C 1.295 178.904 177.584 0.041 0.000 1.351 465 A CA 1.586 53.622 52.037 -0.002 0.000 0.904 465 A CB -1.796 17.044 19.000 -0.266 0.000 1.076 465 A HN 0.367 nan 8.150 nan 0.000 0.729 466 K N -2.088 118.311 120.400 -0.003 0.000 2.097 466 K HA 0.031 4.236 4.320 -0.191 0.000 0.205 466 K C 0.230 176.622 176.600 -0.347 0.000 1.050 466 K CA 1.566 57.771 56.287 -0.136 0.000 0.938 466 K CB -0.016 32.421 32.500 -0.105 0.000 0.718 466 K HN 0.722 nan 8.250 nan 0.000 0.442 467 Y N -0.966 119.291 120.300 -0.071 0.000 2.602 467 Y HA 0.332 4.767 4.550 -0.191 0.000 0.342 467 Y C -0.634 175.178 175.900 -0.147 0.000 1.029 467 Y CA -1.536 56.500 58.100 -0.106 0.000 1.080 467 Y CB 1.572 40.011 38.460 -0.034 0.000 1.284 467 Y HN -0.045 nan 8.280 nan 0.000 0.485 468 Y N -1.313 118.982 120.300 -0.008 0.000 2.519 468 Y HA 0.478 4.913 4.550 -0.192 0.000 0.336 468 Y C -1.215 174.740 175.900 0.091 0.000 1.089 468 Y CA -1.523 56.452 58.100 -0.209 0.000 1.025 468 Y CB 1.346 39.204 38.460 -1.002 0.000 1.318 468 Y HN 0.601 nan 8.280 nan 0.000 0.452 469 Q N 3.632 123.599 119.800 0.278 0.000 2.256 469 Q HA 0.540 4.766 4.340 -0.191 0.000 0.254 469 Q C -1.652 174.474 176.000 0.210 0.000 0.916 469 Q CA -0.644 55.267 55.803 0.179 0.000 0.932 469 Q CB 1.164 29.977 28.738 0.125 0.000 1.207 469 Q HN 0.942 nan 8.270 nan 0.000 0.426 470 L N 4.083 125.448 121.223 0.236 0.000 2.295 470 L HA 0.522 4.748 4.340 -0.191 0.000 0.285 470 L C -0.621 176.325 176.870 0.126 0.000 1.035 470 L CA -0.750 54.233 54.840 0.237 0.000 0.806 470 L CB 1.408 43.655 42.059 0.313 0.000 1.214 470 L HN 0.615 nan 8.230 nan 0.000 0.426 471 R N 2.151 122.692 120.500 0.067 0.000 2.393 471 R HA 0.385 4.611 4.340 -0.191 0.000 0.315 471 R C -1.013 175.131 176.300 -0.260 0.000 0.952 471 R CA -0.302 55.657 56.100 -0.234 0.000 0.842 471 R CB 1.600 31.808 30.300 -0.153 0.000 1.163 471 R HN 0.587 nan 8.270 nan 0.000 0.450 472 c N 2.036 120.345 118.600 -0.485 0.000 2.298 472 c HA 0.494 4.949 4.570 -0.191 0.000 0.323 472 c C 0.738 174.603 174.090 -0.375 0.000 1.284 472 c CA -0.338 55.621 56.329 -0.617 0.000 1.577 472 c CB 0.826 42.889 42.510 -0.746 0.000 2.249 472 c HN 0.936 nan 8.230 nan 0.000 0.497 473 S N 3.141 118.712 115.700 -0.215 0.000 2.535 473 S HA 0.533 4.888 4.470 -0.191 0.000 0.214 473 S C 0.733 175.298 174.600 -0.059 0.000 0.980 473 S CA 0.556 58.690 58.200 -0.110 0.000 0.907 473 S CB 0.135 63.270 63.200 -0.109 0.000 0.790 473 S HN 1.490 nan 8.310 nan 0.000 0.510 474 G N 1.225 109.973 108.800 -0.086 0.000 2.341 474 G HA2 0.213 4.058 3.960 -0.191 0.000 0.293 474 G HA3 0.213 4.058 3.960 -0.191 0.000 0.293 474 G C -3.059 171.825 174.900 -0.028 0.000 1.298 474 G CA -0.758 44.331 45.100 -0.019 0.000 0.868 474 G HN -0.153 nan 8.290 nan 0.000 0.540 475 P HA 0.135 nan 4.420 nan 0.000 0.223 475 P C 1.452 178.770 177.300 0.030 0.000 1.151 475 P CA 1.545 64.677 63.100 0.053 0.000 0.787 475 P CB 0.105 31.833 31.700 0.047 0.000 0.788 476 G N -0.235 108.521 108.800 -0.074 0.000 2.553 476 G HA2 0.314 4.160 3.960 -0.191 0.000 0.278 476 G HA3 0.314 4.160 3.960 -0.191 0.000 0.278 476 G C -0.642 174.026 174.900 -0.386 0.000 1.349 476 G CA -0.402 44.577 45.100 -0.202 0.000 1.037 476 G HN -0.054 nan 8.290 nan 0.000 0.508 477 L N 1.352 122.278 121.223 -0.495 0.000 2.490 477 L HA 0.220 4.446 4.340 -0.191 0.000 0.274 477 L C -1.669 175.050 176.870 -0.251 0.000 1.201 477 L CA -1.106 53.413 54.840 -0.534 0.000 0.869 477 L CB 0.348 42.175 42.059 -0.386 0.000 1.123 477 L HN 0.222 nan 8.230 nan 0.000 0.484 478 P HA 0.011 nan 4.420 nan 0.000 0.263 478 P C -0.954 176.301 177.300 -0.075 0.000 1.168 478 P CA 0.109 63.154 63.100 -0.093 0.000 0.759 478 P CB 0.455 32.199 31.700 0.074 0.000 0.782 479 L N 5.244 126.333 121.223 -0.223 0.000 2.408 479 L HA 0.523 4.748 4.340 -0.191 0.000 0.268 479 L C -1.671 175.034 176.870 -0.276 0.000 0.986 479 L CA -0.755 54.012 54.840 -0.122 0.000 0.820 479 L CB 1.309 43.306 42.059 -0.104 0.000 1.303 479 L HN 0.258 nan 8.230 nan 0.000 0.411 480 Y N 2.469 122.734 120.300 -0.059 0.000 2.331 480 Y HA 0.683 5.118 4.550 -0.192 0.000 0.334 480 Y C 0.155 175.954 175.900 -0.169 0.000 0.960 480 Y CA -0.559 57.489 58.100 -0.086 0.000 1.130 480 Y CB 2.220 40.620 38.460 -0.099 0.000 1.164 480 Y HN 0.666 nan 8.280 nan 0.000 0.458 481 T N 1.568 116.108 114.554 -0.023 0.000 2.906 481 T HA 0.668 4.904 4.350 -0.191 0.000 0.295 481 T C -1.384 173.125 174.700 -0.319 0.000 1.061 481 T CA -0.905 61.089 62.100 -0.178 0.000 1.000 481 T CB 1.793 70.599 68.868 -0.103 0.000 1.103 481 T HN 0.539 nan 8.240 nan 0.000 0.486 482 L N 2.407 123.296 121.223 -0.557 0.000 2.329 482 L HA 0.586 4.811 4.340 -0.191 0.000 0.279 482 L C -0.725 175.660 176.870 -0.809 0.000 1.014 482 L CA -0.768 53.786 54.840 -0.477 0.000 0.814 482 L CB 1.386 43.282 42.059 -0.272 0.000 1.257 482 L HN 0.860 nan 8.230 nan 0.000 0.424 483 H N 1.384 120.233 119.070 -0.368 0.000 2.930 483 H HA 0.298 4.739 4.556 -0.191 0.000 0.371 483 H C -0.705 174.374 175.328 -0.415 0.000 1.169 483 H CA -0.777 54.962 56.048 -0.514 0.000 1.157 483 H CB 2.214 31.390 29.762 -0.977 0.000 1.789 483 H HN 0.516 nan 8.280 nan 0.000 0.547 484 S N 0.292 115.904 115.700 -0.147 0.000 2.480 484 S HA 0.136 4.491 4.470 -0.191 0.000 0.286 484 S C 1.048 175.574 174.600 -0.124 0.000 1.180 484 S CA -0.441 57.612 58.200 -0.245 0.000 1.075 484 S CB 1.450 64.491 63.200 -0.265 0.000 0.996 484 S HN 0.687 nan 8.310 nan 0.000 0.487 485 S N 2.153 117.830 115.700 -0.039 0.000 2.558 485 S HA -0.033 4.322 4.470 -0.191 0.000 0.217 485 S C 1.450 176.082 174.600 0.054 0.000 0.975 485 S CA 0.334 58.642 58.200 0.180 0.000 0.912 485 S CB -0.328 63.043 63.200 0.285 0.000 0.776 485 S HN 0.697 nan 8.310 nan 0.000 0.526 486 V N 3.642 123.535 119.914 -0.035 0.000 2.261 486 V HA -0.216 3.790 4.120 -0.191 0.000 0.246 486 V C 1.872 177.951 176.094 -0.025 0.000 1.047 486 V CA 2.588 64.872 62.300 -0.027 0.000 1.015 486 V CB -0.744 31.049 31.823 -0.051 0.000 0.642 486 V HN 0.808 nan 8.190 nan 0.000 0.446 487 N N -2.242 116.438 118.700 -0.033 0.000 2.294 487 N HA 0.073 4.699 4.740 -0.191 0.000 0.186 487 N C 0.534 176.028 175.510 -0.026 0.000 1.107 487 N CA 0.696 53.728 53.050 -0.029 0.000 0.884 487 N CB 0.167 38.637 38.487 -0.029 0.000 1.030 487 N HN 0.489 nan 8.380 nan 0.000 0.482 488 D N -0.517 119.878 120.400 -0.008 0.000 3.090 488 D HA -0.173 4.353 4.640 -0.191 0.000 0.215 488 D C -0.497 175.807 176.300 0.007 0.000 1.140 488 D CA 0.948 54.959 54.000 0.018 0.000 0.937 488 D CB -1.248 39.547 40.800 -0.008 0.000 1.108 488 D HN 0.759 nan 8.370 nan 0.000 0.420 489 K N 0.575 120.973 120.400 -0.003 0.000 2.237 489 K HA 0.469 4.675 4.320 -0.191 0.000 0.270 489 K C 0.701 177.324 176.600 0.038 0.000 1.015 489 K CA -0.015 56.276 56.287 0.006 0.000 0.949 489 K CB 1.013 33.502 32.500 -0.019 0.000 0.976 489 K HN -0.047 nan 8.250 nan 0.000 0.472 490 G N 2.668 111.498 108.800 0.050 0.000 2.378 490 G HA2 0.197 4.043 3.960 -0.191 0.000 0.255 490 G HA3 0.197 4.043 3.960 -0.191 0.000 0.255 490 G C 0.306 175.126 174.900 -0.134 0.000 1.270 490 G CA -0.741 44.324 45.100 -0.058 0.000 0.876 490 G HN 0.687 nan 8.290 nan 0.000 0.521 491 L N 1.603 122.692 121.223 -0.224 0.000 2.316 491 L HA 0.357 4.582 4.340 -0.191 0.000 0.207 491 L C 1.455 178.238 176.870 -0.146 0.000 1.070 491 L CA 0.470 55.224 54.840 -0.142 0.000 0.820 491 L CB -0.047 41.955 42.059 -0.095 0.000 0.992 491 L HN 0.778 nan 8.230 nan 0.000 0.466 492 R N -1.686 118.685 120.500 -0.214 0.000 2.825 492 R HA 0.272 4.498 4.340 -0.191 0.000 0.274 492 R C -1.686 174.474 176.300 -0.232 0.000 1.026 492 R CA -0.848 55.143 56.100 -0.182 0.000 0.867 492 R CB 1.020 31.236 30.300 -0.139 0.000 1.268 492 R HN -0.271 nan 8.270 nan 0.000 0.491 493 V N 3.670 123.477 119.914 -0.178 0.000 2.508 493 V HA 0.104 4.109 4.120 -0.191 0.000 0.281 493 V C 1.527 177.469 176.094 -0.253 0.000 1.041 493 V CA -0.127 62.068 62.300 -0.176 0.000 1.016 493 V CB 0.890 32.650 31.823 -0.104 0.000 0.984 493 V HN 0.644 nan 8.190 nan 0.000 0.478 494 L N 2.595 123.599 121.223 -0.364 0.000 2.084 494 L HA 0.242 4.467 4.340 -0.191 0.000 0.202 494 L C 0.842 177.469 176.870 -0.405 0.000 1.074 494 L CA 0.868 55.291 54.840 -0.696 0.000 0.757 494 L CB 0.127 41.410 42.059 -1.293 0.000 0.918 494 L HN 0.675 nan 8.230 nan 0.000 0.444 495 E N -0.218 119.888 120.200 -0.156 0.000 2.291 495 E HA 0.118 4.353 4.350 -0.191 0.000 0.276 495 E C -1.198 175.461 176.600 0.098 0.000 0.896 495 E CA -0.437 55.968 56.400 0.008 0.000 0.774 495 E CB 1.291 30.994 29.700 0.005 0.000 1.227 495 E HN 0.186 nan 8.360 nan 0.000 0.413 496 D N 2.884 123.315 120.400 0.052 0.000 2.469 496 D HA 0.110 4.636 4.640 -0.191 0.000 0.213 496 D C -0.401 175.917 176.300 0.030 0.000 1.135 496 D CA -0.278 53.743 54.000 0.035 0.000 0.834 496 D CB -0.111 40.688 40.800 -0.001 0.000 1.009 496 D HN 0.457 nan 8.370 nan 0.000 0.507 497 N N 0.638 119.371 118.700 0.055 0.000 2.716 497 N HA -0.213 4.412 4.740 -0.191 0.000 0.250 497 N C 0.845 176.366 175.510 0.018 0.000 1.033 497 N CA 0.955 54.031 53.050 0.044 0.000 0.727 497 N CB -1.096 37.415 38.487 0.040 0.000 0.950 497 N HN 0.524 nan 8.380 nan 0.000 0.541 498 S N -1.473 114.239 115.700 0.019 0.000 2.470 498 S HA 0.161 4.517 4.470 -0.191 0.000 0.225 498 S C 2.024 176.640 174.600 0.028 0.000 1.006 498 S CA 0.512 58.719 58.200 0.012 0.000 0.934 498 S CB 0.222 63.425 63.200 0.006 0.000 0.778 498 S HN 0.462 nan 8.310 nan 0.000 0.517 499 A N 2.109 124.953 122.820 0.041 0.000 1.902 499 A HA 0.077 4.283 4.320 -0.191 0.000 0.217 499 A C 2.191 179.822 177.584 0.078 0.000 1.181 499 A CA 1.572 53.642 52.037 0.055 0.000 0.623 499 A CB -0.960 18.073 19.000 0.055 0.000 0.818 499 A HN 0.539 nan 8.150 nan 0.000 0.443 500 L N 0.334 121.609 121.223 0.086 0.000 2.046 500 L HA -0.171 4.054 4.340 -0.191 0.000 0.208 500 L C 1.884 178.805 176.870 0.085 0.000 1.077 500 L CA 2.753 57.666 54.840 0.121 0.000 0.747 500 L CB -0.791 41.336 42.059 0.112 0.000 0.896 500 L HN 0.485 nan 8.230 nan 0.000 0.432 501 D N -0.812 119.605 120.400 0.029 0.000 2.144 501 D HA -0.212 4.314 4.640 -0.191 0.000 0.199 501 D C 2.132 178.449 176.300 0.027 0.000 0.984 501 D CA 1.342 55.341 54.000 -0.001 0.000 0.834 501 D CB 0.066 40.852 40.800 -0.023 0.000 0.955 501 D HN 0.321 nan 8.370 nan 0.000 0.465 502 K N -0.703 119.724 120.400 0.045 0.000 2.147 502 K HA -0.071 4.134 4.320 -0.191 0.000 0.205 502 K C 2.150 178.802 176.600 0.086 0.000 1.049 502 K CA 0.938 57.257 56.287 0.053 0.000 0.936 502 K CB -0.040 32.489 32.500 0.049 0.000 0.722 502 K HN 0.293 nan 8.250 nan 0.000 0.446 503 M N -0.075 119.605 119.600 0.133 0.000 2.236 503 M HA -0.078 4.288 4.480 -0.191 0.000 0.266 503 M C 1.476 177.894 176.300 0.197 0.000 1.070 503 M CA 0.870 56.304 55.300 0.223 0.000 1.137 503 M CB 0.028 32.844 32.600 0.361 0.000 1.378 503 M HN 0.040 nan 8.290 nan 0.000 0.426 504 L N 0.409 121.687 121.223 0.091 0.000 2.465 504 L HA -0.075 4.150 4.340 -0.191 0.000 0.224 504 L C 2.253 179.125 176.870 0.003 0.000 1.145 504 L CA 1.486 56.312 54.840 -0.025 0.000 0.834 504 L CB -1.081 40.947 42.059 -0.052 0.000 0.944 504 L HN 0.375 nan 8.230 nan 0.000 0.451 505 Q N -0.654 119.167 119.800 0.034 0.000 2.297 505 Q HA -0.221 4.005 4.340 -0.191 0.000 0.208 505 Q C 1.699 177.728 176.000 0.048 0.000 0.981 505 Q CA 1.477 57.299 55.803 0.032 0.000 0.876 505 Q CB 0.041 28.801 28.738 0.036 0.000 0.921 505 Q HN 0.627 nan 8.270 nan 0.000 0.446 506 N N -1.255 117.486 118.700 0.068 0.000 2.227 506 N HA 0.086 4.712 4.740 -0.191 0.000 0.196 506 N C -0.840 174.723 175.510 0.088 0.000 1.142 506 N CA -0.210 52.896 53.050 0.093 0.000 0.887 506 N CB 1.004 39.562 38.487 0.118 0.000 1.022 506 N HN -0.094 nan 8.380 nan 0.000 0.500 507 V N 2.044 121.989 119.914 0.052 0.000 2.509 507 V HA 0.172 4.177 4.120 -0.191 0.000 0.284 507 V C 0.113 176.215 176.094 0.013 0.000 1.047 507 V CA -0.477 61.843 62.300 0.033 0.000 0.952 507 V CB 1.522 33.313 31.823 -0.053 0.000 0.988 507 V HN 0.149 nan 8.190 nan 0.000 0.469 508 Q N 4.449 124.267 119.800 0.030 0.000 2.489 508 Q HA 0.252 4.477 4.340 -0.191 0.000 0.231 508 Q C -0.385 175.588 176.000 -0.044 0.000 1.273 508 Q CA -0.042 55.752 55.803 -0.015 0.000 0.898 508 Q CB 0.276 29.027 28.738 0.021 0.000 1.545 508 Q HN 0.557 nan 8.270 nan 0.000 0.538 509 M N 3.665 123.222 119.600 -0.071 0.000 2.274 509 M HA 0.381 4.747 4.480 -0.191 0.000 0.344 509 M C -2.013 174.223 176.300 -0.106 0.000 1.161 509 M CA -2.436 52.815 55.300 -0.081 0.000 1.126 509 M CB 0.363 32.922 32.600 -0.068 0.000 1.522 509 M HN 0.292 nan 8.290 nan 0.000 0.461 510 P HA 0.213 nan 4.420 nan 0.000 0.274 510 P C -0.829 176.400 177.300 -0.118 0.000 1.246 510 P CA -0.329 62.687 63.100 -0.140 0.000 0.795 510 P CB 0.478 32.079 31.700 -0.165 0.000 1.006 511 S N -0.478 115.141 115.700 -0.135 0.000 2.607 511 S HA 0.552 4.907 4.470 -0.191 0.000 0.303 511 S C -0.549 173.976 174.600 -0.126 0.000 1.086 511 S CA -0.883 57.255 58.200 -0.103 0.000 0.995 511 S CB 1.913 65.057 63.200 -0.094 0.000 1.084 511 S HN 0.457 nan 8.310 nan 0.000 0.507 512 K N 0.965 121.318 120.400 -0.080 0.000 2.274 512 K HA 0.340 4.546 4.320 -0.191 0.000 0.262 512 K C -1.111 175.452 176.600 -0.061 0.000 0.961 512 K CA -0.504 55.738 56.287 -0.076 0.000 0.833 512 K CB 1.096 33.573 32.500 -0.038 0.000 1.102 512 K HN 0.700 nan 8.250 nan 0.000 0.436 513 K N 6.057 126.411 120.400 -0.077 0.000 2.265 513 K HA 0.283 4.489 4.320 -0.191 0.000 0.267 513 K C -1.196 175.378 176.600 -0.044 0.000 0.994 513 K CA -0.560 55.697 56.287 -0.050 0.000 0.860 513 K CB 0.898 33.363 32.500 -0.059 0.000 1.099 513 K HN 0.607 nan 8.250 nan 0.000 0.448 514 L N 4.660 125.868 121.223 -0.026 0.000 2.287 514 L HA 0.407 4.632 4.340 -0.191 0.000 0.287 514 L C -0.855 175.990 176.870 -0.042 0.000 1.022 514 L CA -0.135 54.707 54.840 0.004 0.000 0.814 514 L CB 1.173 43.308 42.059 0.127 0.000 1.217 514 L HN 0.822 nan 8.230 nan 0.000 0.420 515 D N 2.528 122.715 120.400 -0.356 0.000 2.838 515 D HA 0.446 4.971 4.640 -0.191 0.000 0.334 515 D C -1.507 174.341 176.300 -0.755 0.000 1.315 515 D CA -0.013 53.649 54.000 -0.563 0.000 0.917 515 D CB 2.218 42.687 40.800 -0.552 0.000 1.435 515 D HN 0.199 nan 8.370 nan 0.000 0.517 516 F N -0.046 119.506 119.950 -0.665 0.000 2.620 516 F HA 0.764 5.176 4.527 -0.191 0.000 0.320 516 F C -0.800 175.049 175.800 0.082 0.000 1.069 516 F CA -1.088 56.634 58.000 -0.465 0.000 0.953 516 F CB 0.953 39.211 39.000 -1.237 0.000 1.322 516 F HN 0.233 nan 8.300 nan 0.000 0.479 517 I N 0.559 121.418 120.570 0.483 0.000 2.647 517 I HA 0.558 4.614 4.170 -0.191 0.000 0.295 517 I C -1.224 175.153 176.117 0.432 0.000 1.078 517 I CA -1.172 60.362 61.300 0.391 0.000 1.048 517 I CB 2.157 40.342 38.000 0.310 0.000 1.239 517 I HN 0.442 nan 8.210 nan 0.000 0.421 518 I N 5.948 126.712 120.570 0.323 0.000 2.416 518 I HA 0.414 4.469 4.170 -0.191 0.000 0.288 518 I C -0.222 176.048 176.117 0.255 0.000 1.051 518 I CA -0.225 61.228 61.300 0.255 0.000 1.375 518 I CB 0.742 38.847 38.000 0.176 0.000 1.407 518 I HN 0.526 nan 8.210 nan 0.000 0.516 519 L N 6.252 127.680 121.223 0.341 0.000 2.436 519 L HA 0.417 4.643 4.340 -0.191 0.000 0.268 519 L C 0.658 177.691 176.870 0.271 0.000 0.974 519 L CA -0.651 54.364 54.840 0.291 0.000 0.826 519 L CB 1.643 43.882 42.059 0.300 0.000 1.291 519 L HN 0.569 nan 8.230 nan 0.000 0.406 520 N N 2.447 121.235 118.700 0.146 0.000 2.710 520 N HA -0.226 4.400 4.740 -0.191 0.000 0.249 520 N C -0.117 175.439 175.510 0.077 0.000 1.059 520 N CA 1.172 54.280 53.050 0.098 0.000 0.720 520 N CB -0.299 38.246 38.487 0.096 0.000 0.983 520 N HN 0.804 nan 8.380 nan 0.000 0.544 521 E N -2.611 117.632 120.200 0.072 0.000 3.170 521 E HA -0.175 4.061 4.350 -0.191 0.000 0.284 521 E C -0.725 175.871 176.600 -0.005 0.000 0.967 521 E CA 1.633 58.054 56.400 0.035 0.000 0.919 521 E CB -1.188 28.522 29.700 0.016 0.000 1.469 521 E HN 0.455 nan 8.360 nan 0.000 0.444 522 T N 0.298 114.851 114.554 -0.002 0.000 2.829 522 T HA 0.433 4.669 4.350 -0.191 0.000 0.280 522 T C -0.007 174.521 174.700 -0.286 0.000 0.999 522 T CA -0.910 61.072 62.100 -0.197 0.000 0.983 522 T CB 1.332 70.009 68.868 -0.318 0.000 0.968 522 T HN -0.031 nan 8.240 nan 0.000 0.446 523 K N 2.161 122.335 120.400 -0.377 0.000 2.368 523 K HA 0.388 4.593 4.320 -0.191 0.000 0.282 523 K C -1.025 175.298 176.600 -0.463 0.000 1.035 523 K CA 0.104 56.168 56.287 -0.372 0.000 0.973 523 K CB 0.309 32.459 32.500 -0.583 0.000 0.957 523 K HN 0.402 nan 8.250 nan 0.000 0.474 524 F N 2.248 122.233 119.950 0.058 0.000 2.539 524 F HA 0.279 4.690 4.527 -0.193 0.000 0.328 524 F C -0.680 175.174 175.800 0.091 0.000 1.148 524 F CA -0.790 57.251 58.000 0.068 0.000 0.940 524 F CB 0.886 39.940 39.000 0.088 0.000 1.194 524 F HN 0.432 nan 8.300 nan 0.000 0.438 525 W N 3.996 125.398 121.300 0.171 0.000 2.251 525 W HA 0.495 5.036 4.660 -0.199 0.000 0.329 525 W C -0.497 176.152 176.519 0.217 0.000 1.234 525 W CA -0.441 57.023 57.345 0.199 0.000 1.228 525 W CB 0.597 30.124 29.460 0.111 0.000 1.135 525 W HN 0.457 nan 8.180 nan 0.000 0.576 526 Y N -0.317 120.272 120.300 0.481 0.000 2.588 526 Y HA 0.648 5.076 4.550 -0.202 0.000 0.343 526 Y C -0.983 175.134 175.900 0.362 0.000 1.065 526 Y CA -1.917 56.472 58.100 0.481 0.000 1.038 526 Y CB 1.179 40.078 38.460 0.731 0.000 1.297 526 Y HN 0.547 nan 8.280 nan 0.000 0.467 527 Q N 2.312 122.343 119.800 0.386 0.000 2.372 527 Q HA 0.719 4.945 4.340 -0.191 0.000 0.273 527 Q C -1.806 174.301 176.000 0.178 0.000 1.078 527 Q CA -1.091 54.826 55.803 0.190 0.000 0.806 527 Q CB 3.090 31.908 28.738 0.133 0.000 1.332 527 Q HN 0.869 nan 8.270 nan 0.000 0.435 528 M N 3.066 122.710 119.600 0.072 0.000 2.253 528 M HA 0.424 4.790 4.480 -0.191 0.000 0.314 528 M C -1.090 175.139 176.300 -0.119 0.000 1.019 528 M CA -0.921 54.351 55.300 -0.048 0.000 0.932 528 M CB 1.876 34.414 32.600 -0.104 0.000 1.606 528 M HN 0.606 nan 8.290 nan 0.000 0.430 529 I N 5.390 125.883 120.570 -0.130 0.000 2.322 529 I HA 0.284 4.339 4.170 -0.191 0.000 0.292 529 I C -0.384 175.575 176.117 -0.263 0.000 1.060 529 I CA -0.109 61.089 61.300 -0.171 0.000 1.309 529 I CB -0.153 37.762 38.000 -0.142 0.000 1.415 529 I HN 0.642 nan 8.210 nan 0.000 0.492 530 L N 8.543 129.561 121.223 -0.342 0.000 2.309 530 L HA 0.445 4.670 4.340 -0.191 0.000 0.282 530 L C -2.153 174.497 176.870 -0.366 0.000 1.036 530 L CA -1.835 52.687 54.840 -0.530 0.000 0.806 530 L CB 1.353 42.923 42.059 -0.814 0.000 1.220 530 L HN 0.276 nan 8.230 nan 0.000 0.429 531 P HA 0.029 nan 4.420 nan 0.000 0.268 531 P C -2.430 174.809 177.300 -0.101 0.000 1.208 531 P CA -0.785 62.211 63.100 -0.174 0.000 0.777 531 P CB -0.304 31.324 31.700 -0.119 0.000 0.875 532 P HA -0.094 nan 4.420 nan 0.000 0.267 532 P C -0.107 177.124 177.300 -0.115 0.000 1.200 532 P CA 0.700 63.676 63.100 -0.207 0.000 0.772 532 P CB -0.023 31.518 31.700 -0.266 0.000 0.855 533 H N -1.358 117.751 119.070 0.066 0.000 2.713 533 H HA -0.209 4.237 4.556 -0.183 0.000 0.311 533 H C 0.140 175.529 175.328 0.102 0.000 1.175 533 H CA 0.159 56.247 56.048 0.067 0.000 1.143 533 H CB -2.413 27.381 29.762 0.052 0.000 1.434 533 H HN 0.409 nan 8.280 nan 0.000 0.418 534 F N 2.451 122.394 119.950 -0.012 0.000 2.608 534 F HA 0.154 4.583 4.527 -0.164 0.000 0.380 534 F C 0.504 176.299 175.800 -0.007 0.000 1.083 534 F CA -0.212 57.737 58.000 -0.084 0.000 1.266 534 F CB 0.555 39.408 39.000 -0.246 0.000 1.076 534 F HN 0.160 nan 8.300 nan 0.000 0.574 535 D N 6.380 126.403 120.400 -0.628 0.000 2.462 535 D HA 0.173 4.699 4.640 -0.191 0.000 0.245 535 D C 0.576 176.421 176.300 -0.758 0.000 1.122 535 D CA -0.382 53.298 54.000 -0.535 0.000 0.864 535 D CB 1.174 41.892 40.800 -0.138 0.000 1.098 535 D HN 0.634 nan 8.370 nan 0.000 0.541 536 K N 1.025 120.932 120.400 -0.821 0.000 2.281 536 K HA -0.111 4.095 4.320 -0.191 0.000 0.203 536 K C 1.518 178.068 176.600 -0.083 0.000 1.046 536 K CA 1.128 57.120 56.287 -0.493 0.000 0.938 536 K CB 0.125 32.460 32.500 -0.275 0.000 0.737 536 K HN 0.401 nan 8.250 nan 0.000 0.458 537 S N 0.501 116.141 115.700 -0.100 0.000 2.524 537 S HA 0.006 4.362 4.470 -0.191 0.000 0.216 537 S C 0.469 175.057 174.600 -0.020 0.000 0.987 537 S CA -0.254 57.929 58.200 -0.028 0.000 0.909 537 S CB 0.014 63.186 63.200 -0.047 0.000 0.781 537 S HN 0.177 nan 8.310 nan 0.000 0.521 538 K N 0.955 121.332 120.400 -0.039 0.000 2.211 538 K HA 0.527 4.732 4.320 -0.191 0.000 0.237 538 K C -0.835 175.737 176.600 -0.046 0.000 1.002 538 K CA -1.107 55.120 56.287 -0.100 0.000 0.885 538 K CB 0.689 33.047 32.500 -0.237 0.000 1.136 538 K HN -0.162 nan 8.250 nan 0.000 0.448 539 K N 1.972 122.290 120.400 -0.136 0.000 2.240 539 K HA 0.265 4.470 4.320 -0.191 0.000 0.271 539 K C -0.976 175.513 176.600 -0.185 0.000 1.018 539 K CA -0.393 55.867 56.287 -0.046 0.000 0.874 539 K CB 0.629 33.096 32.500 -0.055 0.000 1.098 539 K HN 0.516 nan 8.250 nan 0.000 0.458 540 Y N 2.778 123.112 120.300 0.057 0.000 2.419 540 Y HA 0.272 4.717 4.550 -0.174 0.000 0.328 540 Y C -1.736 174.091 175.900 -0.121 0.000 1.162 540 Y CA -2.242 55.855 58.100 -0.006 0.000 1.174 540 Y CB 0.990 39.498 38.460 0.079 0.000 1.228 540 Y HN 0.457 nan 8.280 nan 0.000 0.473 541 P HA 0.164 nan 4.420 nan 0.000 0.274 541 P C -1.178 175.969 177.300 -0.255 0.000 1.231 541 P CA -0.198 62.625 63.100 -0.462 0.000 0.790 541 P CB 1.412 32.465 31.700 -1.078 0.000 0.951 542 L N 2.591 123.705 121.223 -0.181 0.000 2.410 542 L HA 0.580 4.805 4.340 -0.191 0.000 0.270 542 L C -1.395 175.625 176.870 0.250 0.000 0.983 542 L CA -1.151 53.713 54.840 0.040 0.000 0.822 542 L CB 1.849 43.933 42.059 0.043 0.000 1.285 542 L HN 0.156 nan 8.230 nan 0.000 0.409 543 L N 4.943 126.323 121.223 0.262 0.000 2.313 543 L HA 0.525 4.751 4.340 -0.191 0.000 0.283 543 L C -1.231 175.852 176.870 0.354 0.000 1.013 543 L CA -0.343 54.716 54.840 0.365 0.000 0.816 543 L CB 1.610 43.852 42.059 0.304 0.000 1.236 543 L HN 0.660 nan 8.230 nan 0.000 0.419 544 L N 4.943 126.434 121.223 0.446 0.000 2.278 544 L HA 0.381 4.606 4.340 -0.191 0.000 0.287 544 L C -0.599 176.521 176.870 0.417 0.000 1.072 544 L CA 0.280 55.380 54.840 0.434 0.000 0.819 544 L CB 0.563 42.924 42.059 0.504 0.000 1.176 544 L HN 0.639 nan 8.230 nan 0.000 0.435 545 D N 4.238 124.855 120.400 0.362 0.000 2.274 545 D HA 0.382 4.907 4.640 -0.191 0.000 0.239 545 D C -1.149 175.258 176.300 0.178 0.000 1.104 545 D CA -0.104 54.055 54.000 0.265 0.000 0.840 545 D CB 1.284 42.297 40.800 0.354 0.000 1.100 545 D HN 0.241 nan 8.370 nan 0.000 0.477 546 V N 5.751 125.686 119.914 0.035 0.000 2.604 546 V HA 0.234 4.240 4.120 -0.191 0.000 0.305 546 V C -0.284 175.922 176.094 0.187 0.000 1.043 546 V CA -0.711 61.677 62.300 0.147 0.000 0.888 546 V CB 1.527 33.436 31.823 0.144 0.000 0.995 546 V HN 0.597 nan 8.190 nan 0.000 0.429 547 Y N 3.890 124.274 120.300 0.139 0.000 3.059 547 Y HA 0.508 4.941 4.550 -0.196 0.000 0.212 547 Y C 1.572 177.625 175.900 0.256 0.000 0.947 547 Y CA 0.609 58.820 58.100 0.185 0.000 1.571 547 Y CB -0.207 38.345 38.460 0.154 0.000 1.432 547 Y HN 0.829 nan 8.280 nan 0.000 0.450 548 A N 0.995 123.899 122.820 0.139 0.000 2.847 548 A HA -0.137 4.069 4.320 -0.191 0.000 0.263 548 A C 0.984 178.438 177.584 -0.217 0.000 1.391 548 A CA 1.122 53.179 52.037 0.034 0.000 0.866 548 A CB -2.374 16.776 19.000 0.251 0.000 1.057 548 A HN 0.962 nan 8.150 nan 0.000 0.673 549 G N -1.064 107.313 108.800 -0.706 0.000 2.580 549 G HA2 0.529 4.374 3.960 -0.191 0.000 0.278 549 G HA3 0.529 4.374 3.960 -0.191 0.000 0.278 549 G C -2.458 172.018 174.900 -0.706 0.000 1.212 549 G CA -1.079 43.352 45.100 -1.116 0.000 0.939 549 G HN 0.271 nan 8.290 nan 0.000 0.513 550 P HA 0.136 nan 4.420 nan 0.000 0.265 550 P C 0.416 177.502 177.300 -0.356 0.000 1.222 550 P CA 0.078 62.837 63.100 -0.570 0.000 0.767 550 P CB 0.662 31.609 31.700 -1.254 0.000 0.801 551 C N 2.733 121.897 119.300 -0.226 0.000 4.550 551 C HA -0.139 4.206 4.460 -0.191 0.000 0.282 551 C C 0.920 175.869 174.990 -0.069 0.000 1.290 551 C CA 1.017 59.907 59.018 -0.213 0.000 1.964 551 C CB -2.685 24.819 27.740 -0.394 0.000 1.284 551 C HN 0.760 nan 8.230 nan 0.000 0.758 552 S N 0.112 115.684 115.700 -0.214 0.000 2.632 552 S HA 0.607 4.962 4.470 -0.191 0.000 0.267 552 S C -0.587 174.022 174.600 0.015 0.000 1.276 552 S CA 0.093 58.106 58.200 -0.312 0.000 0.998 552 S CB 1.682 64.164 63.200 -1.197 0.000 0.953 552 S HN 0.824 nan 8.310 nan 0.000 0.547 553 Q N -0.121 119.766 119.800 0.145 0.000 2.406 553 Q HA 0.317 4.543 4.340 -0.191 0.000 0.244 553 Q C -0.835 175.288 176.000 0.205 0.000 0.884 553 Q CA -0.521 55.403 55.803 0.201 0.000 0.813 553 Q CB 0.965 29.866 28.738 0.272 0.000 1.368 553 Q HN 0.688 nan 8.270 nan 0.000 0.439 554 K N 0.763 121.278 120.400 0.192 0.000 2.358 554 K HA 0.333 4.539 4.320 -0.191 0.000 0.200 554 K C -0.322 176.389 176.600 0.184 0.000 1.030 554 K CA 0.224 56.636 56.287 0.208 0.000 1.097 554 K CB 1.509 34.157 32.500 0.247 0.000 0.862 554 K HN 0.473 nan 8.250 nan 0.000 0.534 555 A N 2.851 125.778 122.820 0.178 0.000 2.273 555 A HA 0.431 4.637 4.320 -0.191 0.000 0.320 555 A C -0.738 176.909 177.584 0.106 0.000 1.358 555 A CA -0.466 51.676 52.037 0.174 0.000 0.910 555 A CB 0.097 19.249 19.000 0.254 0.000 1.159 555 A HN 0.249 nan 8.150 nan 0.000 0.526 556 D N -0.024 120.425 120.400 0.080 0.000 2.677 556 D HA 0.383 4.908 4.640 -0.191 0.000 0.298 556 D C 0.377 176.707 176.300 0.049 0.000 1.250 556 D CA 0.264 54.304 54.000 0.066 0.000 0.888 556 D CB 0.223 41.066 40.800 0.072 0.000 1.397 556 D HN 0.168 nan 8.370 nan 0.000 0.461 557 T N -2.482 112.128 114.554 0.093 0.000 3.122 557 T HA 0.284 4.520 4.350 -0.191 0.000 0.250 557 T C 0.647 175.350 174.700 0.004 0.000 1.067 557 T CA -0.298 61.849 62.100 0.079 0.000 0.966 557 T CB -0.460 68.489 68.868 0.135 0.000 1.002 557 T HN 0.276 nan 8.240 nan 0.000 0.542 558 V N 2.675 122.491 119.914 -0.163 0.000 2.655 558 V HA 0.250 4.255 4.120 -0.191 0.000 0.300 558 V C 0.116 176.172 176.094 -0.064 0.000 1.044 558 V CA -0.686 61.465 62.300 -0.248 0.000 1.095 558 V CB -0.035 31.503 31.823 -0.474 0.000 0.952 558 V HN 0.561 nan 8.190 nan 0.000 0.485 559 F N 6.363 126.227 119.950 -0.143 0.000 2.420 559 F HA 0.566 5.000 4.527 -0.155 0.000 0.352 559 F C 0.464 176.212 175.800 -0.087 0.000 1.108 559 F CA -0.290 57.648 58.000 -0.103 0.000 1.162 559 F CB 0.385 39.332 39.000 -0.088 0.000 1.118 559 F HN 0.407 nan 8.300 nan 0.000 0.510 560 R N 6.595 126.580 120.500 -0.859 0.000 2.621 560 R HA 0.519 4.744 4.340 -0.191 0.000 0.292 560 R C -1.499 174.336 176.300 -0.775 0.000 0.969 560 R CA -0.983 54.754 56.100 -0.604 0.000 0.887 560 R CB 2.038 32.162 30.300 -0.294 0.000 1.180 560 R HN 0.692 nan 8.270 nan 0.000 0.450 561 L N 4.642 125.607 121.223 -0.430 0.000 2.335 561 L HA 0.357 4.582 4.340 -0.191 0.000 0.268 561 L C -0.574 176.252 176.870 -0.072 0.000 1.037 561 L CA -0.596 54.053 54.840 -0.319 0.000 0.895 561 L CB 0.177 42.194 42.059 -0.071 0.000 1.266 561 L HN 0.745 nan 8.230 nan 0.000 0.439 562 N N -0.022 118.556 118.700 -0.203 0.000 3.439 562 N HA 0.164 4.790 4.740 -0.191 0.000 0.343 562 N C 0.269 175.398 175.510 -0.635 0.000 1.597 562 N CA -0.877 51.963 53.050 -0.349 0.000 0.733 562 N CB 0.146 38.565 38.487 -0.114 0.000 1.973 562 N HN 0.229 nan 8.380 nan 0.000 0.646 563 W N 0.542 121.260 121.300 -0.969 0.000 2.342 563 W HA 0.122 4.750 4.660 -0.053 0.000 0.297 563 W C 2.018 178.477 176.519 -0.099 0.000 1.213 563 W CA 2.793 59.801 57.345 -0.562 0.000 1.251 563 W CB -0.996 28.296 29.460 -0.280 0.000 1.136 563 W HN 0.694 nan 8.180 nan 0.000 0.526 564 A N -0.674 122.088 122.820 -0.096 0.000 1.972 564 A HA -0.181 4.024 4.320 -0.191 0.000 0.219 564 A C 1.934 179.402 177.584 -0.193 0.000 1.169 564 A CA 2.355 54.282 52.037 -0.184 0.000 0.635 564 A CB -1.209 17.768 19.000 -0.038 0.000 0.810 564 A HN 0.291 nan 8.150 nan 0.000 0.446 565 T N -1.354 113.103 114.554 -0.162 0.000 2.746 565 T HA -0.175 4.060 4.350 -0.191 0.000 0.267 565 T C 1.757 176.489 174.700 0.052 0.000 1.039 565 T CA 1.546 63.539 62.100 -0.178 0.000 1.142 565 T CB -0.502 68.095 68.868 -0.451 0.000 0.866 565 T HN 0.682 nan 8.240 nan 0.000 0.444 566 Y N 2.144 122.519 120.300 0.125 0.000 2.114 566 Y HA -0.127 4.321 4.550 -0.171 0.000 0.284 566 Y C 2.034 177.912 175.900 -0.036 0.000 1.143 566 Y CA 1.189 59.379 58.100 0.150 0.000 1.135 566 Y CB -0.583 37.946 38.460 0.116 0.000 0.980 566 Y HN 0.067 nan 8.280 nan 0.000 0.499 567 L N 0.446 121.266 121.223 -0.673 0.000 2.079 567 L HA -0.260 3.965 4.340 -0.191 0.000 0.210 567 L C 2.862 179.488 176.870 -0.407 0.000 1.081 567 L CA 1.257 55.647 54.840 -0.750 0.000 0.752 567 L CB -1.038 40.605 42.059 -0.693 0.000 0.896 567 L HN 0.470 nan 8.230 nan 0.000 0.433 568 A N -0.889 121.765 122.820 -0.277 0.000 1.840 568 A HA -0.197 4.008 4.320 -0.191 0.000 0.214 568 A C 2.526 180.030 177.584 -0.133 0.000 1.198 568 A CA 1.802 53.724 52.037 -0.191 0.000 0.608 568 A CB -0.832 18.055 19.000 -0.189 0.000 0.839 568 A HN 0.331 nan 8.150 nan 0.000 0.443 569 S N -1.047 114.597 115.700 -0.092 0.000 2.351 569 S HA -0.160 4.195 4.470 -0.191 0.000 0.220 569 S C 2.084 176.688 174.600 0.006 0.000 1.035 569 S CA 2.506 60.698 58.200 -0.013 0.000 1.031 569 S CB -0.656 62.594 63.200 0.083 0.000 0.928 569 S HN 0.596 nan 8.310 nan 0.000 0.433 570 T N 1.586 116.134 114.554 -0.011 0.000 2.814 570 T HA 0.107 4.343 4.350 -0.191 0.000 0.254 570 T C 1.518 176.179 174.700 -0.066 0.000 1.037 570 T CA 0.936 63.043 62.100 0.011 0.000 1.143 570 T CB -0.222 68.733 68.868 0.144 0.000 0.866 570 T HN 0.381 nan 8.240 nan 0.000 0.431 571 E N 1.026 121.092 120.200 -0.223 0.000 2.479 571 E HA 0.168 4.404 4.350 -0.191 0.000 0.193 571 E C 0.143 176.704 176.600 -0.064 0.000 1.049 571 E CA -0.101 56.204 56.400 -0.158 0.000 0.870 571 E CB -0.272 29.262 29.700 -0.277 0.000 0.944 571 E HN 0.565 nan 8.360 nan 0.000 0.492 572 N N 0.632 119.307 118.700 -0.042 0.000 2.741 572 N HA -0.190 4.436 4.740 -0.191 0.000 0.250 572 N C -0.596 174.964 175.510 0.084 0.000 1.115 572 N CA 0.082 53.170 53.050 0.063 0.000 0.724 572 N CB -1.122 37.458 38.487 0.155 0.000 1.090 572 N HN 0.188 nan 8.380 nan 0.000 0.558 573 I N 1.330 121.879 120.570 -0.035 0.000 2.353 573 I HA 0.285 4.341 4.170 -0.191 0.000 0.293 573 I C 0.698 176.760 176.117 -0.090 0.000 0.992 573 I CA -0.625 60.654 61.300 -0.036 0.000 1.268 573 I CB 1.166 39.157 38.000 -0.015 0.000 1.387 573 I HN 0.018 nan 8.210 nan 0.000 0.478 574 I N 6.760 127.281 120.570 -0.082 0.000 2.452 574 I HA 0.105 4.161 4.170 -0.191 0.000 0.287 574 I C -0.033 176.039 176.117 -0.075 0.000 1.079 574 I CA -0.085 61.127 61.300 -0.146 0.000 1.387 574 I CB 1.143 39.047 38.000 -0.160 0.000 1.404 574 I HN 0.295 nan 8.210 nan 0.000 0.522 575 V N 7.544 127.406 119.914 -0.086 0.000 2.357 575 V HA 0.831 4.836 4.120 -0.191 0.000 0.284 575 V C -0.020 176.080 176.094 0.011 0.000 1.018 575 V CA -0.112 62.189 62.300 0.002 0.000 0.841 575 V CB 1.100 32.929 31.823 0.010 0.000 0.991 575 V HN 0.791 nan 8.190 nan 0.000 0.437 576 A N 4.933 127.784 122.820 0.052 0.000 2.354 576 A HA 0.960 5.165 4.320 -0.191 0.000 0.321 576 A C -0.192 177.529 177.584 0.228 0.000 1.125 576 A CA -0.588 51.469 52.037 0.034 0.000 0.799 576 A CB 2.112 20.940 19.000 -0.287 0.000 1.293 576 A HN 0.957 nan 8.150 nan 0.000 0.452 577 S N -0.545 115.343 115.700 0.313 0.000 2.564 577 S HA 0.758 5.114 4.470 -0.191 0.000 0.274 577 S C -1.657 173.301 174.600 0.596 0.000 1.124 577 S CA -0.282 58.163 58.200 0.408 0.000 0.869 577 S CB 1.324 64.707 63.200 0.305 0.000 1.105 577 S HN 0.796 nan 8.310 nan 0.000 0.472 578 F N 1.888 122.072 119.950 0.390 0.000 2.573 578 F HA 0.429 4.837 4.527 -0.198 0.000 0.316 578 F C -1.551 174.436 175.800 0.312 0.000 1.148 578 F CA -0.656 57.591 58.000 0.412 0.000 0.940 578 F CB 1.385 40.610 39.000 0.375 0.000 1.214 578 F HN 0.383 nan 8.300 nan 0.000 0.448 579 D N 4.808 125.071 120.400 -0.229 0.000 2.428 579 D HA 0.371 4.897 4.640 -0.191 0.000 0.221 579 D C 0.383 176.463 176.300 -0.367 0.000 1.123 579 D CA 0.187 54.102 54.000 -0.141 0.000 0.869 579 D CB 1.526 42.349 40.800 0.039 0.000 1.032 579 D HN 0.754 nan 8.370 nan 0.000 0.506 580 G N 1.513 110.252 108.800 -0.102 0.000 2.782 580 G HA2 0.291 4.137 3.960 -0.191 0.000 0.201 580 G HA3 0.291 4.137 3.960 -0.191 0.000 0.201 580 G C 0.040 175.040 174.900 0.167 0.000 1.374 580 G CA -0.708 44.403 45.100 0.017 0.000 1.039 580 G HN 0.284 nan 8.290 nan 0.000 0.576 581 R N -0.457 120.124 120.500 0.136 0.000 2.442 581 R HA 0.418 4.644 4.340 -0.191 0.000 0.291 581 R C 1.003 177.400 176.300 0.161 0.000 1.069 581 R CA 1.272 57.489 56.100 0.196 0.000 1.022 581 R CB 0.739 31.118 30.300 0.132 0.000 0.976 581 R HN 1.000 nan 8.270 nan 0.000 0.443 582 G N 1.326 110.201 108.800 0.124 0.000 2.218 582 G HA2 -0.298 3.547 3.960 -0.191 0.000 0.216 582 G HA3 -0.298 3.547 3.960 -0.191 0.000 0.216 582 G C 0.136 175.031 174.900 -0.009 0.000 0.994 582 G CA 0.077 45.221 45.100 0.072 0.000 0.637 582 G HN 0.690 nan 8.290 nan 0.000 0.505 583 S N 0.134 115.838 115.700 0.007 0.000 2.624 583 S HA 0.720 5.076 4.470 -0.191 0.000 0.263 583 S C 0.754 175.320 174.600 -0.058 0.000 1.287 583 S CA 0.412 58.593 58.200 -0.031 0.000 0.990 583 S CB 1.882 65.097 63.200 0.025 0.000 0.950 583 S HN 1.641 nan 8.310 nan 0.000 0.561 584 G N -1.141 107.614 108.800 -0.075 0.000 2.552 584 G HA2 0.524 4.369 3.960 -0.191 0.000 0.324 584 G HA3 0.524 4.369 3.960 -0.191 0.000 0.324 584 G C -0.986 173.854 174.900 -0.100 0.000 1.217 584 G CA -1.116 43.814 45.100 -0.282 0.000 0.989 584 G HN 1.013 nan 8.290 nan 0.000 0.490 585 Y N -2.301 117.986 120.300 -0.023 0.000 4.490 585 Y HA -0.235 4.200 4.550 -0.191 0.000 0.233 585 Y C 1.415 177.311 175.900 -0.007 0.000 1.101 585 Y CA 1.055 59.152 58.100 -0.006 0.000 2.010 585 Y CB -1.994 36.481 38.460 0.025 0.000 1.622 585 Y HN 0.543 nan 8.280 nan 0.000 0.675 586 Q N 0.007 119.823 119.800 0.026 0.000 2.103 586 Q HA 0.500 4.725 4.340 -0.191 0.000 0.219 586 Q C 0.928 176.861 176.000 -0.111 0.000 0.784 586 Q CA 0.224 56.053 55.803 0.045 0.000 1.014 586 Q CB 1.961 30.711 28.738 0.020 0.000 1.183 586 Q HN 0.572 nan 8.270 nan 0.000 0.469 587 G N 0.727 109.336 108.800 -0.318 0.000 2.619 587 G HA2 -0.167 3.678 3.960 -0.191 0.000 0.686 587 G HA3 -0.167 3.678 3.960 -0.191 0.000 0.686 587 G C -0.605 173.947 174.900 -0.579 0.000 1.256 587 G CA -0.495 44.182 45.100 -0.706 0.000 0.826 587 G HN 0.058 nan 8.290 nan 0.000 0.619 588 D N 0.053 120.058 120.400 -0.659 0.000 2.224 588 D HA -0.055 4.470 4.640 -0.191 0.000 0.205 588 D C 2.260 178.282 176.300 -0.464 0.000 0.965 588 D CA 1.417 54.983 54.000 -0.725 0.000 0.852 588 D CB 0.037 40.380 40.800 -0.762 0.000 0.947 588 D HN 0.563 nan 8.370 nan 0.000 0.494 589 K N 1.310 121.492 120.400 -0.362 0.000 2.044 589 K HA -0.142 4.063 4.320 -0.191 0.000 0.210 589 K C 1.923 178.435 176.600 -0.147 0.000 1.049 589 K CA 1.173 57.333 56.287 -0.213 0.000 0.927 589 K CB -0.470 31.909 32.500 -0.201 0.000 0.713 589 K HN 0.123 nan 8.250 nan 0.000 0.443 590 I N -0.053 120.415 120.570 -0.170 0.000 2.235 590 I HA -0.155 3.900 4.170 -0.191 0.000 0.241 590 I C 2.675 178.762 176.117 -0.051 0.000 1.085 590 I CA 1.304 62.565 61.300 -0.065 0.000 1.378 590 I CB -0.181 37.785 38.000 -0.057 0.000 1.076 590 I HN 0.294 nan 8.210 nan 0.000 0.415 591 M N -0.078 119.418 119.600 -0.173 0.000 2.159 591 M HA -0.223 4.142 4.480 -0.191 0.000 0.263 591 M C 1.926 178.253 176.300 0.045 0.000 1.063 591 M CA 1.806 57.025 55.300 -0.136 0.000 1.110 591 M CB -0.187 32.215 32.600 -0.330 0.000 1.374 591 M HN 0.270 nan 8.290 nan 0.000 0.411 592 H N -0.559 118.431 119.070 -0.133 0.000 2.539 592 H HA 0.272 4.713 4.556 -0.191 0.000 0.267 592 H C 1.868 177.231 175.328 0.057 0.000 0.982 592 H CA 0.717 56.704 56.048 -0.102 0.000 1.146 592 H CB -0.357 29.246 29.762 -0.265 0.000 1.382 592 H HN 0.459 nan 8.280 nan 0.000 0.577 593 A N 1.427 124.350 122.820 0.173 0.000 2.024 593 A HA -0.111 4.095 4.320 -0.191 0.000 0.220 593 A C 1.950 179.727 177.584 0.321 0.000 1.164 593 A CA 1.304 53.442 52.037 0.168 0.000 0.643 593 A CB -0.520 18.520 19.000 0.068 0.000 0.806 593 A HN 0.381 nan 8.150 nan 0.000 0.451 594 I N -1.795 118.954 120.570 0.298 0.000 3.891 594 I HA 0.130 4.186 4.170 -0.191 0.000 0.331 594 I C 0.078 176.291 176.117 0.160 0.000 1.406 594 I CA -0.470 60.978 61.300 0.246 0.000 1.139 594 I CB -1.866 36.248 38.000 0.190 0.000 1.056 594 I HN 0.252 nan 8.210 nan 0.000 0.399 595 N N 2.940 121.777 118.700 0.229 0.000 2.411 595 N HA -0.062 4.563 4.740 -0.191 0.000 0.265 595 N C 0.073 175.614 175.510 0.051 0.000 1.266 595 N CA 0.249 53.425 53.050 0.209 0.000 0.889 595 N CB 0.278 38.870 38.487 0.175 0.000 1.069 595 N HN 0.328 nan 8.380 nan 0.000 0.476 596 R N 1.038 121.535 120.500 -0.004 0.000 3.989 596 R HA -0.148 4.078 4.340 -0.191 0.000 0.377 596 R C -0.276 175.856 176.300 -0.280 0.000 1.158 596 R CA 0.752 56.794 56.100 -0.097 0.000 1.035 596 R CB -0.867 29.401 30.300 -0.054 0.000 1.557 596 R HN 0.665 nan 8.270 nan 0.000 0.551 597 R N 0.376 120.704 120.500 -0.286 0.000 2.688 597 R HA 0.172 4.398 4.340 -0.191 0.000 0.396 597 R C -0.691 175.539 176.300 -0.117 0.000 1.081 597 R CA -0.687 55.084 56.100 -0.547 0.000 1.093 597 R CB 0.487 30.535 30.300 -0.421 0.000 1.338 597 R HN -0.103 nan 8.270 nan 0.000 0.613 598 L N 0.629 121.872 121.223 0.034 0.000 2.540 598 L HA 0.111 4.336 4.340 -0.191 0.000 0.276 598 L C 1.485 178.636 176.870 0.469 0.000 1.212 598 L CA 1.651 56.600 54.840 0.182 0.000 0.893 598 L CB 0.201 42.172 42.059 -0.148 0.000 1.138 598 L HN 0.755 nan 8.230 nan 0.000 0.491 599 G N 1.143 110.228 108.800 0.474 0.000 2.130 599 G HA2 -0.282 3.563 3.960 -0.191 0.000 0.216 599 G HA3 -0.282 3.563 3.960 -0.191 0.000 0.216 599 G C 0.544 175.540 174.900 0.159 0.000 0.999 599 G CA 0.828 46.151 45.100 0.372 0.000 0.686 599 G HN 0.885 nan 8.290 nan 0.000 0.515 600 T N -3.384 111.223 114.554 0.088 0.000 3.409 600 T HA 0.464 4.699 4.350 -0.191 0.000 0.188 600 T C 1.687 176.342 174.700 -0.075 0.000 0.929 600 T CA 0.993 63.026 62.100 -0.111 0.000 1.184 600 T CB -0.038 68.586 68.868 -0.407 0.000 1.570 600 T HN 0.128 nan 8.240 nan 0.000 0.367 601 F N 3.418 123.421 119.950 0.088 0.000 2.146 601 F HA 0.099 4.511 4.527 -0.192 0.000 0.298 601 F C 2.864 178.710 175.800 0.077 0.000 1.096 601 F CA 1.231 59.270 58.000 0.065 0.000 1.275 601 F CB -0.643 38.392 39.000 0.058 0.000 1.008 601 F HN 0.464 nan 8.300 nan 0.000 0.480 602 E N 0.990 121.359 120.200 0.283 0.000 2.110 602 E HA -0.145 4.090 4.350 -0.191 0.000 0.193 602 E C 2.157 178.879 176.600 0.203 0.000 0.988 602 E CA 1.629 58.172 56.400 0.240 0.000 0.804 602 E CB -1.224 28.624 29.700 0.247 0.000 0.745 602 E HN 0.287 nan 8.360 nan 0.000 0.458 603 V N 1.666 121.676 119.914 0.160 0.000 2.270 603 V HA -0.240 3.766 4.120 -0.191 0.000 0.245 603 V C 2.425 178.554 176.094 0.059 0.000 1.043 603 V CA 2.302 64.647 62.300 0.074 0.000 1.014 603 V CB -0.681 31.141 31.823 -0.001 0.000 0.645 603 V HN 0.217 nan 8.190 nan 0.000 0.447 604 E N 0.016 120.264 120.200 0.079 0.000 2.160 604 E HA -0.233 4.003 4.350 -0.191 0.000 0.195 604 E C 1.847 178.471 176.600 0.041 0.000 0.991 604 E CA 1.499 57.941 56.400 0.069 0.000 0.810 604 E CB -0.152 29.622 29.700 0.122 0.000 0.742 604 E HN 0.595 nan 8.360 nan 0.000 0.466 605 D N -0.144 120.299 120.400 0.071 0.000 2.277 605 D HA -0.090 4.436 4.640 -0.191 0.000 0.208 605 D C 1.823 178.081 176.300 -0.069 0.000 0.962 605 D CA 0.556 54.564 54.000 0.013 0.000 0.865 605 D CB 0.006 40.880 40.800 0.122 0.000 0.939 605 D HN 0.109 nan 8.370 nan 0.000 0.510 606 Q N 0.153 119.982 119.800 0.048 0.000 2.123 606 Q HA 0.000 4.226 4.340 -0.191 0.000 0.199 606 Q C 2.488 178.507 176.000 0.031 0.000 0.966 606 Q CA 0.498 56.333 55.803 0.052 0.000 0.845 606 Q CB 0.019 28.833 28.738 0.127 0.000 0.907 606 Q HN 0.407 nan 8.270 nan 0.000 0.439 607 I N 0.774 121.377 120.570 0.055 0.000 2.179 607 I HA -0.257 3.799 4.170 -0.191 0.000 0.242 607 I C 2.391 178.461 176.117 -0.079 0.000 1.088 607 I CA 1.186 62.561 61.300 0.124 0.000 1.357 607 I CB -0.188 37.873 38.000 0.101 0.000 1.051 607 I HN 0.130 nan 8.210 nan 0.000 0.409 608 E N 1.421 121.513 120.200 -0.180 0.000 2.110 608 E HA -0.184 4.052 4.350 -0.191 0.000 0.193 608 E C 2.114 178.388 176.600 -0.543 0.000 0.988 608 E CA 1.505 57.729 56.400 -0.293 0.000 0.804 608 E CB -0.187 29.364 29.700 -0.249 0.000 0.745 608 E HN 0.407 nan 8.360 nan 0.000 0.458 609 A N 0.992 123.328 122.820 -0.806 0.000 1.873 609 A HA -0.177 4.028 4.320 -0.191 0.000 0.218 609 A C 2.495 179.312 177.584 -1.278 0.000 1.193 609 A CA 2.575 53.797 52.037 -1.358 0.000 0.629 609 A CB -1.272 16.892 19.000 -1.395 0.000 0.826 609 A HN 0.404 nan 8.150 nan 0.000 0.447 610 A N -0.383 122.084 122.820 -0.588 0.000 1.908 610 A HA -0.192 4.013 4.320 -0.191 0.000 0.218 610 A C 2.228 179.604 177.584 -0.346 0.000 1.181 610 A CA 1.606 53.449 52.037 -0.324 0.000 0.627 610 A CB -0.510 18.327 19.000 -0.272 0.000 0.818 610 A HN 0.579 nan 8.150 nan 0.000 0.445 611 R N -0.807 119.488 120.500 -0.342 0.000 2.120 611 R HA -0.116 4.109 4.340 -0.191 0.000 0.234 611 R C 2.266 178.396 176.300 -0.284 0.000 1.123 611 R CA 1.303 57.244 56.100 -0.266 0.000 0.975 611 R CB -0.237 29.937 30.300 -0.210 0.000 0.866 611 R HN 0.563 nan 8.270 nan 0.000 0.446 612 Q N -0.240 119.306 119.800 -0.424 0.000 2.123 612 Q HA -0.073 4.152 4.340 -0.191 0.000 0.199 612 Q C 2.002 177.827 176.000 -0.293 0.000 0.966 612 Q CA 1.243 56.810 55.803 -0.394 0.000 0.845 612 Q CB -0.121 28.289 28.738 -0.547 0.000 0.907 612 Q HN 0.272 nan 8.270 nan 0.000 0.439 613 F N 1.573 121.344 119.950 -0.299 0.000 2.113 613 F HA -0.150 4.277 4.527 -0.167 0.000 0.297 613 F C 2.680 178.255 175.800 -0.374 0.000 1.103 613 F CA 1.225 59.025 58.000 -0.334 0.000 1.248 613 F CB -1.351 37.498 39.000 -0.252 0.000 0.999 613 F HN 0.037 nan 8.300 nan 0.000 0.475 614 S N 0.144 115.778 115.700 -0.111 0.000 2.370 614 S HA -0.221 4.134 4.470 -0.191 0.000 0.226 614 S C 1.757 176.242 174.600 -0.192 0.000 1.033 614 S CA 1.111 59.212 58.200 -0.166 0.000 1.011 614 S CB -0.710 62.405 63.200 -0.143 0.000 0.852 614 S HN 0.373 nan 8.310 nan 0.000 0.457 615 K N 0.565 120.862 120.400 -0.171 0.000 2.574 615 K HA 0.169 4.375 4.320 -0.191 0.000 0.193 615 K C 1.443 177.957 176.600 -0.144 0.000 1.035 615 K CA 0.603 56.806 56.287 -0.140 0.000 0.982 615 K CB -0.314 32.114 32.500 -0.121 0.000 0.795 615 K HN 0.485 nan 8.250 nan 0.000 0.491 616 M N -1.268 118.187 119.600 -0.242 0.000 2.509 616 M HA 0.052 4.417 4.480 -0.191 0.000 0.250 616 M C 1.160 177.290 176.300 -0.284 0.000 1.132 616 M CA 0.624 55.762 55.300 -0.270 0.000 1.080 616 M CB 0.764 33.106 32.600 -0.430 0.000 1.408 616 M HN 0.375 nan 8.290 nan 0.000 0.484 617 G N 0.955 109.577 108.800 -0.296 0.000 2.195 617 G HA2 -0.281 3.565 3.960 -0.191 0.000 0.246 617 G HA3 -0.281 3.565 3.960 -0.191 0.000 0.246 617 G C 0.379 175.277 174.900 -0.004 0.000 0.984 617 G CA 0.253 45.293 45.100 -0.101 0.000 0.633 617 G HN 0.598 nan 8.290 nan 0.000 0.525 618 F N 0.039 120.048 119.950 0.097 0.000 2.772 618 F HA 0.788 5.195 4.527 -0.200 0.000 0.302 618 F C -0.007 175.908 175.800 0.192 0.000 1.136 618 F CA -1.178 56.921 58.000 0.164 0.000 1.322 618 F CB 0.403 39.566 39.000 0.272 0.000 0.967 618 F HN 0.057 nan 8.300 nan 0.000 0.513 619 V N 1.200 121.119 119.914 0.007 0.000 2.487 619 V HA 0.215 4.220 4.120 -0.191 0.000 0.298 619 V C -0.825 175.252 176.094 -0.028 0.000 1.028 619 V CA -0.758 61.550 62.300 0.013 0.000 0.860 619 V CB 1.751 33.526 31.823 -0.080 0.000 0.991 619 V HN 0.138 nan 8.190 nan 0.000 0.427 620 D N 3.761 124.140 120.400 -0.035 0.000 2.338 620 D HA 0.053 4.578 4.640 -0.191 0.000 0.255 620 D C 1.004 177.253 176.300 -0.086 0.000 1.237 620 D CA -0.139 53.817 54.000 -0.074 0.000 0.883 620 D CB 0.806 41.541 40.800 -0.109 0.000 1.087 620 D HN 0.656 nan 8.370 nan 0.000 0.485 621 N N 3.213 121.865 118.700 -0.079 0.000 2.461 621 N HA -0.070 4.555 4.740 -0.191 0.000 0.188 621 N C 0.896 176.365 175.510 -0.068 0.000 1.134 621 N CA 0.303 53.300 53.050 -0.089 0.000 0.878 621 N CB 0.028 38.455 38.487 -0.101 0.000 0.972 621 N HN 0.317 nan 8.380 nan 0.000 0.456 622 K N 0.010 120.380 120.400 -0.050 0.000 2.296 622 K HA 0.131 4.337 4.320 -0.191 0.000 0.200 622 K C 0.133 176.743 176.600 0.017 0.000 1.048 622 K CA 0.487 56.763 56.287 -0.018 0.000 0.966 622 K CB 0.220 32.710 32.500 -0.017 0.000 0.754 622 K HN 0.180 nan 8.250 nan 0.000 0.466 623 R N 1.110 121.598 120.500 -0.020 0.000 2.564 623 R HA 0.363 4.588 4.340 -0.191 0.000 0.282 623 R C -1.045 175.259 176.300 0.006 0.000 1.573 623 R CA -0.124 55.980 56.100 0.008 0.000 1.588 623 R CB 0.663 30.806 30.300 -0.263 0.000 1.154 623 R HN -0.008 nan 8.270 nan 0.000 0.606 624 I N 1.130 121.807 120.570 0.179 0.000 2.466 624 I HA 0.592 4.648 4.170 -0.191 0.000 0.289 624 I C -0.207 176.150 176.117 0.400 0.000 1.026 624 I CA -0.801 60.607 61.300 0.179 0.000 1.078 624 I CB 2.055 39.982 38.000 -0.122 0.000 1.249 624 I HN 0.368 nan 8.210 nan 0.000 0.429 625 A N 6.662 129.820 122.820 0.564 0.000 2.437 625 A HA 0.948 5.154 4.320 -0.191 0.000 0.292 625 A C -1.290 176.666 177.584 0.619 0.000 1.173 625 A CA -0.669 51.703 52.037 0.559 0.000 0.785 625 A CB 2.205 21.398 19.000 0.322 0.000 1.351 625 A HN 0.726 nan 8.150 nan 0.000 0.431 626 I N 0.284 121.141 120.570 0.477 0.000 2.692 626 I HA 0.687 4.743 4.170 -0.191 0.000 0.293 626 I C -1.973 174.411 176.117 0.444 0.000 1.200 626 I CA -0.497 61.025 61.300 0.371 0.000 1.036 626 I CB 1.617 39.594 38.000 -0.038 0.000 1.258 626 I HN 0.933 nan 8.210 nan 0.000 0.421 627 W N 7.058 128.499 121.300 0.236 0.000 3.167 627 W HA 0.871 5.399 4.660 -0.219 0.000 0.324 627 W C -1.437 175.232 176.519 0.250 0.000 1.230 627 W CA -1.089 56.400 57.345 0.239 0.000 1.184 627 W CB 1.097 30.748 29.460 0.318 0.000 1.414 627 W HN 0.825 nan 8.180 nan 0.000 0.551 628 G N 0.889 109.601 108.800 -0.147 0.000 2.646 628 G HA2 0.490 4.336 3.960 -0.191 0.000 0.291 628 G HA3 0.490 4.336 3.960 -0.191 0.000 0.291 628 G C -2.713 172.092 174.900 -0.157 0.000 1.445 628 G CA -0.724 44.141 45.100 -0.392 0.000 0.814 628 G HN 0.597 nan 8.290 nan 0.000 0.495 629 W N 0.840 121.960 121.300 -0.300 0.000 2.689 629 W HA 0.555 5.094 4.660 -0.202 0.000 0.340 629 W C 0.883 177.364 176.519 -0.064 0.000 1.060 629 W CA 0.492 57.743 57.345 -0.157 0.000 1.218 629 W CB 1.707 31.063 29.460 -0.174 0.000 1.410 629 W HN 1.047 nan 8.180 nan 0.000 0.528 630 S N 1.710 117.624 115.700 0.357 0.000 4.150 630 S HA -0.434 3.921 4.470 -0.191 0.000 0.575 630 S C 0.877 175.587 174.600 0.184 0.000 1.878 630 S CA 1.746 60.152 58.200 0.343 0.000 4.245 630 S CB -1.583 61.864 63.200 0.411 0.000 0.231 630 S HN 0.758 nan 8.310 nan 0.000 0.469 631 Y N 3.035 123.414 120.300 0.132 0.000 2.224 631 Y HA 0.029 4.463 4.550 -0.194 0.000 0.289 631 Y C 2.507 178.597 175.900 0.316 0.000 1.146 631 Y CA 2.074 60.338 58.100 0.273 0.000 1.182 631 Y CB -0.946 37.783 38.460 0.449 0.000 0.983 631 Y HN 0.540 nan 8.280 nan 0.000 0.524 632 G N -0.735 108.324 108.800 0.431 0.000 2.442 632 G HA2 -0.269 3.577 3.960 -0.191 0.000 0.219 632 G HA3 -0.269 3.577 3.960 -0.191 0.000 0.219 632 G C 1.865 176.847 174.900 0.137 0.000 1.141 632 G CA 0.810 46.078 45.100 0.279 0.000 0.763 632 G HN 0.569 nan 8.290 nan 0.000 0.554 633 G N -0.206 108.654 108.800 0.099 0.000 2.402 633 G HA2 -0.230 3.616 3.960 -0.191 0.000 0.216 633 G HA3 -0.230 3.616 3.960 -0.191 0.000 0.216 633 G C 1.583 176.517 174.900 0.057 0.000 1.162 633 G CA 1.049 46.179 45.100 0.050 0.000 0.777 633 G HN 0.486 nan 8.290 nan 0.000 0.539 634 Y N 1.095 121.326 120.300 -0.115 0.000 2.114 634 Y HA -0.163 4.272 4.550 -0.192 0.000 0.284 634 Y C 2.799 178.625 175.900 -0.124 0.000 1.143 634 Y CA 1.885 59.859 58.100 -0.211 0.000 1.135 634 Y CB -0.248 37.939 38.460 -0.454 0.000 0.980 634 Y HN 0.031 nan 8.280 nan 0.000 0.499 635 V N -0.094 119.743 119.914 -0.128 0.000 2.343 635 V HA -0.329 3.676 4.120 -0.191 0.000 0.247 635 V C 2.309 178.318 176.094 -0.142 0.000 1.051 635 V CA 2.382 64.602 62.300 -0.134 0.000 1.036 635 V CB -1.119 30.795 31.823 0.151 0.000 0.654 635 V HN 0.519 nan 8.190 nan 0.000 0.451 636 T N -0.191 114.333 114.554 -0.051 0.000 2.635 636 T HA -0.220 4.016 4.350 -0.191 0.000 0.267 636 T C 2.167 176.812 174.700 -0.092 0.000 1.040 636 T CA 2.101 64.173 62.100 -0.046 0.000 1.156 636 T CB -0.292 68.624 68.868 0.081 0.000 0.863 636 T HN 0.508 nan 8.240 nan 0.000 0.430 637 S N 0.968 116.643 115.700 -0.041 0.000 2.356 637 S HA -0.056 4.299 4.470 -0.191 0.000 0.223 637 S C 2.172 176.673 174.600 -0.165 0.000 1.032 637 S CA 1.042 59.234 58.200 -0.014 0.000 1.005 637 S CB -0.319 62.905 63.200 0.040 0.000 0.867 637 S HN 0.315 nan 8.310 nan 0.000 0.449 638 M N 0.965 120.380 119.600 -0.307 0.000 2.149 638 M HA -0.062 4.304 4.480 -0.191 0.000 0.261 638 M C 2.212 178.340 176.300 -0.285 0.000 1.064 638 M CA 1.124 56.223 55.300 -0.335 0.000 1.102 638 M CB -1.502 30.800 32.600 -0.496 0.000 1.369 638 M HN 0.182 nan 8.290 nan 0.000 0.408 639 V N 0.570 120.306 119.914 -0.297 0.000 2.295 639 V HA -0.246 3.759 4.120 -0.191 0.000 0.246 639 V C 2.507 178.371 176.094 -0.384 0.000 1.049 639 V CA 1.453 63.558 62.300 -0.326 0.000 1.024 639 V CB -0.684 30.870 31.823 -0.449 0.000 0.648 639 V HN 0.413 nan 8.190 nan 0.000 0.447 640 L N 0.424 121.356 121.223 -0.484 0.000 2.275 640 L HA -0.038 4.187 4.340 -0.191 0.000 0.215 640 L C 2.242 178.523 176.870 -0.981 0.000 1.119 640 L CA 1.385 55.831 54.840 -0.657 0.000 0.790 640 L CB -0.721 40.903 42.059 -0.726 0.000 0.919 640 L HN 0.494 nan 8.230 nan 0.000 0.443 641 G N -1.303 106.973 108.800 -0.872 0.000 3.042 641 G HA2 -0.075 3.770 3.960 -0.191 0.000 0.212 641 G HA3 -0.075 3.770 3.960 -0.191 0.000 0.212 641 G C 1.544 176.281 174.900 -0.273 0.000 1.166 641 G CA 0.595 45.334 45.100 -0.601 0.000 0.767 641 G HN 0.426 nan 8.290 nan 0.000 0.546 642 S N -0.458 115.096 115.700 -0.244 0.000 2.496 642 S HA 0.299 4.655 4.470 -0.191 0.000 0.224 642 S C 1.898 176.443 174.600 -0.092 0.000 0.996 642 S CA 1.042 59.161 58.200 -0.135 0.000 0.927 642 S CB -0.165 62.969 63.200 -0.110 0.000 0.774 642 S HN 1.377 nan 8.310 nan 0.000 0.524 643 G N 1.354 110.089 108.800 -0.107 0.000 2.176 643 G HA2 -0.327 3.519 3.960 -0.191 0.000 0.252 643 G HA3 -0.327 3.519 3.960 -0.191 0.000 0.252 643 G C 0.901 175.785 174.900 -0.028 0.000 1.024 643 G CA 0.922 45.985 45.100 -0.062 0.000 0.755 643 G HN 1.264 nan 8.290 nan 0.000 0.507 644 S N -0.792 114.903 115.700 -0.009 0.000 2.406 644 S HA 0.310 4.666 4.470 -0.191 0.000 0.228 644 S C 2.530 177.141 174.600 0.018 0.000 1.020 644 S CA 1.744 59.957 58.200 0.022 0.000 0.965 644 S CB -0.192 63.056 63.200 0.081 0.000 0.798 644 S HN 2.422 nan 8.310 nan 0.000 0.488 645 G N -0.130 108.686 108.800 0.027 0.000 2.179 645 G HA2 -0.278 3.567 3.960 -0.191 0.000 0.260 645 G HA3 -0.278 3.567 3.960 -0.191 0.000 0.260 645 G C 0.761 175.660 174.900 -0.001 0.000 0.977 645 G CA 0.429 45.537 45.100 0.013 0.000 0.641 645 G HN 0.716 nan 8.290 nan 0.000 0.533 646 V N -0.455 119.461 119.914 0.003 0.000 2.535 646 V HA 0.319 4.325 4.120 -0.191 0.000 0.246 646 V C 1.159 177.080 176.094 -0.288 0.000 1.045 646 V CA 1.362 63.549 62.300 -0.188 0.000 1.058 646 V CB -0.317 31.301 31.823 -0.341 0.000 0.689 646 V HN 0.270 nan 8.190 nan 0.000 0.461 647 F N 0.259 120.219 119.950 0.016 0.000 2.420 647 F HA 0.411 4.818 4.527 -0.199 0.000 0.342 647 F C 1.110 176.947 175.800 0.061 0.000 1.113 647 F CA -0.623 57.412 58.000 0.058 0.000 1.059 647 F CB 1.324 40.359 39.000 0.059 0.000 1.128 647 F HN -0.215 nan 8.300 nan 0.000 0.475 648 K N 1.701 122.252 120.400 0.251 0.000 2.186 648 K HA 0.122 4.328 4.320 -0.191 0.000 0.202 648 K C -0.166 176.546 176.600 0.186 0.000 1.052 648 K CA 0.845 57.240 56.287 0.181 0.000 0.965 648 K CB 0.257 32.861 32.500 0.173 0.000 0.746 648 K HN 0.811 nan 8.250 nan 0.000 0.457 649 c N -3.090 115.653 118.600 0.238 0.000 3.306 649 c HA 0.881 5.337 4.570 -0.191 0.000 0.335 649 c C -0.289 174.007 174.090 0.343 0.000 1.382 649 c CA -0.589 55.900 56.329 0.266 0.000 1.254 649 c CB 1.086 43.669 42.510 0.121 0.000 1.555 649 c HN 0.327 nan 8.230 nan 0.000 0.463 650 G N -0.116 108.962 108.800 0.463 0.000 2.601 650 G HA2 0.709 4.554 3.960 -0.191 0.000 0.291 650 G HA3 0.709 4.554 3.960 -0.191 0.000 0.291 650 G C -2.060 173.089 174.900 0.416 0.000 1.456 650 G CA -0.702 44.656 45.100 0.431 0.000 0.804 650 G HN 1.030 nan 8.290 nan 0.000 0.499 651 I N 0.760 121.536 120.570 0.343 0.000 2.466 651 I HA 0.607 4.662 4.170 -0.191 0.000 0.289 651 I C 0.166 176.394 176.117 0.184 0.000 1.026 651 I CA -0.946 60.437 61.300 0.138 0.000 1.078 651 I CB 2.177 40.267 38.000 0.149 0.000 1.249 651 I HN 0.658 nan 8.210 nan 0.000 0.429 652 A N 6.557 129.378 122.820 0.002 0.000 2.287 652 A HA 0.788 4.993 4.320 -0.191 0.000 0.317 652 A C -0.738 176.743 177.584 -0.173 0.000 1.220 652 A CA -0.505 51.537 52.037 0.010 0.000 0.835 652 A CB 1.160 20.236 19.000 0.127 0.000 1.180 652 A HN 0.444 nan 8.150 nan 0.000 0.500 653 V N 2.094 121.843 119.914 -0.275 0.000 2.417 653 V HA 0.574 4.580 4.120 -0.191 0.000 0.291 653 V C 0.927 176.588 176.094 -0.723 0.000 1.024 653 V CA 0.292 62.205 62.300 -0.645 0.000 0.861 653 V CB 0.934 32.060 31.823 -1.162 0.000 0.985 653 V HN 2.081 nan 8.190 nan 0.000 0.436 654 A N 5.595 127.966 122.820 -0.748 0.000 2.415 654 A HA -0.105 4.101 4.320 -0.191 0.000 0.292 654 A C -1.945 175.468 177.584 -0.285 0.000 1.452 654 A CA 0.410 51.928 52.037 -0.866 0.000 0.750 654 A CB -1.557 17.072 19.000 -0.618 0.000 1.099 654 A HN 0.597 nan 8.150 nan 0.000 0.391 655 P HA 0.445 nan 4.420 nan 0.000 0.281 655 P C 0.089 177.360 177.300 -0.049 0.000 1.249 655 P CA -0.321 62.752 63.100 -0.045 0.000 0.810 655 P CB 1.292 32.986 31.700 -0.009 0.000 1.008 656 V N 2.305 122.103 119.914 -0.194 0.000 2.555 656 V HA 0.049 4.055 4.120 -0.191 0.000 0.286 656 V C 1.804 177.736 176.094 -0.269 0.000 1.044 656 V CA 0.977 63.024 62.300 -0.423 0.000 1.026 656 V CB 0.455 31.629 31.823 -1.082 0.000 0.981 656 V HN 0.821 nan 8.190 nan 0.000 0.480 657 S N 4.607 120.193 115.700 -0.190 0.000 2.566 657 S HA 0.191 4.546 4.470 -0.191 0.000 0.234 657 S C 0.652 175.149 174.600 -0.172 0.000 1.075 657 S CA -0.280 57.875 58.200 -0.074 0.000 0.926 657 S CB 0.254 63.457 63.200 0.005 0.000 0.811 657 S HN 0.797 nan 8.310 nan 0.000 0.518 658 R N -1.033 119.296 120.500 -0.286 0.000 2.564 658 R HA 0.385 4.610 4.340 -0.191 0.000 0.284 658 R C -0.717 175.336 176.300 -0.411 0.000 1.031 658 R CA -0.838 55.002 56.100 -0.434 0.000 0.904 658 R CB 0.222 30.247 30.300 -0.458 0.000 1.199 658 R HN 0.229 nan 8.270 nan 0.000 0.443 659 W N 1.897 123.154 121.300 -0.073 0.000 2.331 659 W HA -0.148 4.396 4.660 -0.193 0.000 0.291 659 W C 1.223 177.895 176.519 0.256 0.000 1.214 659 W CA 1.091 58.485 57.345 0.082 0.000 1.228 659 W CB 0.161 29.615 29.460 -0.011 0.000 1.135 659 W HN 0.732 nan 8.180 nan 0.000 0.537 660 E N -1.172 119.225 120.200 0.328 0.000 2.401 660 E HA -0.191 4.045 4.350 -0.191 0.000 0.199 660 E C 1.315 178.044 176.600 0.215 0.000 1.023 660 E CA 0.862 57.362 56.400 0.167 0.000 0.859 660 E CB -0.261 29.416 29.700 -0.039 0.000 0.780 660 E HN 0.384 nan 8.360 nan 0.000 0.523 661 Y N -1.587 118.820 120.300 0.179 0.000 2.490 661 Y HA 0.070 4.505 4.550 -0.192 0.000 0.285 661 Y C 0.733 176.740 175.900 0.178 0.000 1.117 661 Y CA -0.299 57.871 58.100 0.116 0.000 1.262 661 Y CB -0.358 38.114 38.460 0.020 0.000 1.043 661 Y HN 0.022 nan 8.280 nan 0.000 0.553 662 Y N 2.067 122.538 120.300 0.286 0.000 2.334 662 Y HA 0.265 4.702 4.550 -0.189 0.000 0.325 662 Y C 0.346 176.469 175.900 0.373 0.000 1.308 662 Y CA -1.960 56.314 58.100 0.291 0.000 1.389 662 Y CB 0.286 38.963 38.460 0.363 0.000 1.328 662 Y HN 0.195 nan 8.280 nan 0.000 0.532 663 D N -0.491 119.633 120.400 -0.461 0.000 2.382 663 D HA 0.089 4.615 4.640 -0.191 0.000 0.240 663 D C 0.929 177.206 176.300 -0.037 0.000 1.146 663 D CA 0.359 54.163 54.000 -0.327 0.000 0.897 663 D CB 0.900 41.307 40.800 -0.655 0.000 1.197 663 D HN 0.482 nan 8.370 nan 0.000 0.432 664 S N 1.223 116.910 115.700 -0.023 0.000 2.348 664 S HA -0.219 4.137 4.470 -0.191 0.000 0.221 664 S C 1.939 176.561 174.600 0.037 0.000 1.033 664 S CA 1.142 59.380 58.200 0.063 0.000 1.010 664 S CB -1.017 62.228 63.200 0.075 0.000 0.891 664 S HN 0.426 nan 8.310 nan 0.000 0.442 665 V N 0.949 120.820 119.914 -0.071 0.000 2.287 665 V HA -0.201 3.804 4.120 -0.191 0.000 0.248 665 V C 2.306 178.312 176.094 -0.147 0.000 1.053 665 V CA 2.339 64.499 62.300 -0.234 0.000 1.027 665 V CB -1.084 30.443 31.823 -0.494 0.000 0.646 665 V HN 0.611 nan 8.190 nan 0.000 0.447 666 Y N 1.248 121.485 120.300 -0.106 0.000 2.133 666 Y HA -0.229 4.206 4.550 -0.191 0.000 0.287 666 Y C 2.748 178.654 175.900 0.009 0.000 1.134 666 Y CA 2.333 60.448 58.100 0.026 0.000 1.133 666 Y CB -0.472 38.184 38.460 0.327 0.000 0.987 666 Y HN 0.239 nan 8.280 nan 0.000 0.502 667 T N 0.223 114.984 114.554 0.345 0.000 2.708 667 T HA -0.189 4.047 4.350 -0.191 0.000 0.266 667 T C 1.522 176.202 174.700 -0.033 0.000 1.037 667 T CA 1.885 64.111 62.100 0.210 0.000 1.146 667 T CB -0.315 68.823 68.868 0.450 0.000 0.865 667 T HN 0.432 nan 8.240 nan 0.000 0.435 668 E N 0.666 120.869 120.200 0.005 0.000 2.204 668 E HA -0.065 4.171 4.350 -0.191 0.000 0.194 668 E C 2.332 178.811 176.600 -0.202 0.000 0.989 668 E CA 0.370 56.762 56.400 -0.015 0.000 0.824 668 E CB -0.134 29.603 29.700 0.062 0.000 0.756 668 E HN 0.321 nan 8.360 nan 0.000 0.477 669 R N 0.067 120.294 120.500 -0.454 0.000 2.139 669 R HA -0.210 4.015 4.340 -0.191 0.000 0.243 669 R C 1.076 176.835 176.300 -0.901 0.000 1.145 669 R CA 1.633 57.265 56.100 -0.780 0.000 0.976 669 R CB 0.026 29.546 30.300 -1.301 0.000 0.866 669 R HN 0.283 nan 8.270 nan 0.000 0.449 670 Y N -2.634 117.383 120.300 -0.472 0.000 2.581 670 Y HA 0.215 4.651 4.550 -0.189 0.000 0.271 670 Y C 1.809 177.530 175.900 -0.298 0.000 1.100 670 Y CA -0.082 57.730 58.100 -0.480 0.000 1.281 670 Y CB 0.301 38.354 38.460 -0.677 0.000 1.237 670 Y HN -0.089 nan 8.280 nan 0.000 0.514 671 M N -0.231 119.273 119.600 -0.159 0.000 2.414 671 M HA 0.340 4.706 4.480 -0.191 0.000 0.251 671 M C 1.192 177.504 176.300 0.019 0.000 1.116 671 M CA 0.878 56.073 55.300 -0.176 0.000 1.056 671 M CB -0.498 31.810 32.600 -0.487 0.000 1.388 671 M HN 0.399 nan 8.290 nan 0.000 0.487 672 G N 1.801 110.629 108.800 0.046 0.000 2.569 672 G HA2 -0.237 3.609 3.960 -0.191 0.000 0.259 672 G HA3 -0.237 3.609 3.960 -0.191 0.000 0.259 672 G C -0.649 174.382 174.900 0.218 0.000 1.263 672 G CA -0.692 44.472 45.100 0.107 0.000 0.928 672 G HN 0.256 nan 8.290 nan 0.000 0.572 673 L N 2.795 124.124 121.223 0.176 0.000 2.307 673 L HA 0.515 4.741 4.340 -0.191 0.000 0.282 673 L C -1.345 175.560 176.870 0.059 0.000 1.051 673 L CA -2.026 52.880 54.840 0.111 0.000 0.804 673 L CB 1.234 43.319 42.059 0.043 0.000 1.197 673 L HN 0.411 nan 8.230 nan 0.000 0.431 674 P HA 0.074 nan 4.420 nan 0.000 0.228 674 P C -0.525 176.652 177.300 -0.205 0.000 1.748 674 P CA -0.104 62.650 63.100 -0.577 0.000 0.909 674 P CB -0.567 30.472 31.700 -1.102 0.000 1.882 675 T N -3.614 110.903 114.554 -0.063 0.000 2.908 675 T HA 0.470 4.706 4.350 -0.191 0.000 0.290 675 T C -2.231 172.476 174.700 0.011 0.000 1.034 675 T CA -2.527 59.557 62.100 -0.027 0.000 1.010 675 T CB 1.884 70.743 68.868 -0.015 0.000 1.068 675 T HN -0.302 nan 8.240 nan 0.000 0.481 676 P HA -0.120 nan 4.420 nan 0.000 0.217 676 P C 1.067 178.383 177.300 0.028 0.000 1.148 676 P CA 0.996 64.110 63.100 0.023 0.000 0.828 676 P CB 0.085 31.794 31.700 0.014 0.000 0.783 677 E N -1.627 118.586 120.200 0.022 0.000 2.368 677 E HA 0.064 4.299 4.350 -0.191 0.000 0.188 677 E C 0.266 176.883 176.600 0.029 0.000 1.061 677 E CA 0.268 56.681 56.400 0.022 0.000 0.933 677 E CB -0.126 29.581 29.700 0.012 0.000 1.091 677 E HN 0.219 nan 8.360 nan 0.000 0.458 678 D N 0.830 121.256 120.400 0.045 0.000 2.874 678 D HA 0.043 4.568 4.640 -0.191 0.000 0.165 678 D C 0.001 176.357 176.300 0.093 0.000 1.410 678 D CA -0.048 53.989 54.000 0.062 0.000 1.561 678 D CB -0.025 40.814 40.800 0.066 0.000 1.417 678 D HN 0.075 nan 8.370 nan 0.000 0.196 679 N N 0.092 118.881 118.700 0.148 0.000 2.301 679 N HA 0.112 4.738 4.740 -0.191 0.000 0.247 679 N C 0.882 176.594 175.510 0.335 0.000 1.347 679 N CA -0.037 53.144 53.050 0.219 0.000 0.844 679 N CB 0.330 38.953 38.487 0.226 0.000 1.332 679 N HN 0.120 nan 8.380 nan 0.000 0.494 680 L N 0.526 121.876 121.223 0.210 0.000 2.043 680 L HA -0.124 4.102 4.340 -0.191 0.000 0.212 680 L C 1.312 178.306 176.870 0.206 0.000 1.075 680 L CA 1.985 56.927 54.840 0.169 0.000 0.752 680 L CB -0.391 41.697 42.059 0.048 0.000 0.891 680 L HN 0.134 nan 8.230 nan 0.000 0.432 681 D N -1.257 119.239 120.400 0.161 0.000 2.126 681 D HA -0.288 4.238 4.640 -0.191 0.000 0.190 681 D C 2.117 178.511 176.300 0.157 0.000 1.001 681 D CA 1.971 56.051 54.000 0.133 0.000 0.841 681 D CB -0.186 40.681 40.800 0.111 0.000 0.949 681 D HN 0.618 nan 8.370 nan 0.000 0.446 682 H N -1.265 117.871 119.070 0.110 0.000 2.462 682 H HA -0.040 4.401 4.556 -0.191 0.000 0.292 682 H C 1.747 177.133 175.328 0.097 0.000 1.049 682 H CA 1.100 57.189 56.048 0.068 0.000 1.334 682 H CB -0.207 29.559 29.762 0.008 0.000 1.404 682 H HN 0.155 nan 8.280 nan 0.000 0.544 683 Y N 0.518 120.849 120.300 0.052 0.000 2.128 683 Y HA -0.221 4.215 4.550 -0.190 0.000 0.284 683 Y C 2.460 178.346 175.900 -0.024 0.000 1.154 683 Y CA 1.672 59.801 58.100 0.048 0.000 1.149 683 Y CB 0.047 38.551 38.460 0.074 0.000 0.976 683 Y HN 0.147 nan 8.280 nan 0.000 0.505 684 R N -0.163 120.426 120.500 0.148 0.000 2.148 684 R HA -0.138 4.088 4.340 -0.191 0.000 0.227 684 R C 1.642 177.936 176.300 -0.010 0.000 1.103 684 R CA 1.045 57.177 56.100 0.052 0.000 0.983 684 R CB -0.974 29.355 30.300 0.050 0.000 0.874 684 R HN 0.505 nan 8.270 nan 0.000 0.451 685 N N 0.925 119.588 118.700 -0.062 0.000 2.467 685 N HA -0.068 4.558 4.740 -0.191 0.000 0.184 685 N C 0.131 175.546 175.510 -0.158 0.000 1.106 685 N CA 0.642 53.633 53.050 -0.098 0.000 0.892 685 N CB 0.352 38.793 38.487 -0.077 0.000 0.969 685 N HN 0.120 nan 8.380 nan 0.000 0.454 686 S N -0.729 114.862 115.700 -0.181 0.000 2.749 686 S HA 0.057 4.413 4.470 -0.191 0.000 0.246 686 S C 0.421 175.058 174.600 0.061 0.000 1.023 686 S CA -0.724 57.417 58.200 -0.098 0.000 1.012 686 S CB -0.053 63.020 63.200 -0.211 0.000 0.942 686 S HN 0.203 nan 8.310 nan 0.000 0.531 687 T N -0.740 113.815 114.554 0.001 0.000 2.899 687 T HA 0.426 4.661 4.350 -0.191 0.000 0.295 687 T C 1.383 176.073 174.700 -0.017 0.000 1.033 687 T CA -0.056 62.037 62.100 -0.012 0.000 1.084 687 T CB 1.425 70.260 68.868 -0.057 0.000 0.979 687 T HN 0.508 nan 8.240 nan 0.000 0.532 688 V N 2.129 122.028 119.914 -0.025 0.000 2.719 688 V HA -0.029 3.977 4.120 -0.191 0.000 0.252 688 V C 2.203 178.266 176.094 -0.052 0.000 1.065 688 V CA 1.363 63.633 62.300 -0.049 0.000 1.086 688 V CB -1.099 30.686 31.823 -0.065 0.000 0.700 688 V HN 0.867 nan 8.190 nan 0.000 0.467 689 M N 2.305 121.866 119.600 -0.065 0.000 2.082 689 M HA -0.158 4.208 4.480 -0.191 0.000 0.258 689 M C 2.474 178.746 176.300 -0.047 0.000 1.069 689 M CA 2.623 57.879 55.300 -0.073 0.000 1.102 689 M CB -0.984 31.588 32.600 -0.048 0.000 1.336 689 M HN 0.729 nan 8.290 nan 0.000 0.404 690 S N -0.548 115.135 115.700 -0.029 0.000 2.500 690 S HA -0.082 4.273 4.470 -0.191 0.000 0.239 690 S C 1.748 176.348 174.600 0.001 0.000 0.989 690 S CA 0.769 58.961 58.200 -0.015 0.000 0.951 690 S CB -0.511 62.679 63.200 -0.016 0.000 0.759 690 S HN 0.524 nan 8.310 nan 0.000 0.523 691 R N 0.250 120.761 120.500 0.018 0.000 2.362 691 R HA 0.429 4.654 4.340 -0.191 0.000 0.227 691 R C 2.235 178.630 176.300 0.157 0.000 0.905 691 R CA 0.442 56.576 56.100 0.056 0.000 1.067 691 R CB -0.222 30.101 30.300 0.038 0.000 1.078 691 R HN 0.481 nan 8.270 nan 0.000 0.516 692 A N 1.657 124.530 122.820 0.088 0.000 1.927 692 A HA -0.298 3.908 4.320 -0.191 0.000 0.220 692 A C 2.004 179.676 177.584 0.148 0.000 1.185 692 A CA 1.959 54.029 52.037 0.054 0.000 0.639 692 A CB -0.313 18.628 19.000 -0.098 0.000 0.820 692 A HN 0.265 nan 8.150 nan 0.000 0.451 693 E N 0.495 120.747 120.200 0.087 0.000 2.114 693 E HA -0.218 4.017 4.350 -0.191 0.000 0.199 693 E C 1.628 178.284 176.600 0.092 0.000 1.008 693 E CA 1.802 58.247 56.400 0.075 0.000 0.810 693 E CB -0.266 29.459 29.700 0.043 0.000 0.739 693 E HN 0.595 nan 8.360 nan 0.000 0.456 694 N N -0.597 118.151 118.700 0.080 0.000 2.453 694 N HA -0.104 4.522 4.740 -0.191 0.000 0.183 694 N C 0.823 176.316 175.510 -0.029 0.000 1.041 694 N CA 0.487 53.539 53.050 0.002 0.000 0.900 694 N CB -0.245 38.195 38.487 -0.078 0.000 0.961 694 N HN 0.214 nan 8.380 nan 0.000 0.443 695 F N 1.264 121.168 119.950 -0.076 0.000 2.641 695 F HA 0.028 4.440 4.527 -0.192 0.000 0.298 695 F C 1.873 177.675 175.800 0.003 0.000 1.146 695 F CA 0.593 58.545 58.000 -0.080 0.000 1.464 695 F CB 0.000 38.906 39.000 -0.157 0.000 1.101 695 F HN -0.044 nan 8.300 nan 0.000 0.585 696 K N -0.059 120.435 120.400 0.156 0.000 2.360 696 K HA -0.163 4.043 4.320 -0.191 0.000 0.201 696 K C 1.549 178.204 176.600 0.091 0.000 1.046 696 K CA 0.993 57.353 56.287 0.121 0.000 0.945 696 K CB -0.134 32.419 32.500 0.088 0.000 0.750 696 K HN 0.449 nan 8.250 nan 0.000 0.464 697 Q N 0.113 119.947 119.800 0.057 0.000 2.408 697 Q HA 0.040 4.266 4.340 -0.191 0.000 0.205 697 Q C 0.491 176.525 176.000 0.057 0.000 0.919 697 Q CA 0.158 55.985 55.803 0.040 0.000 0.932 697 Q CB 0.736 29.478 28.738 0.007 0.000 1.058 697 Q HN 0.124 nan 8.270 nan 0.000 0.517 698 V N -3.029 116.932 119.914 0.078 0.000 3.160 698 V HA 0.480 4.485 4.120 -0.191 0.000 0.310 698 V C -1.334 174.890 176.094 0.217 0.000 1.181 698 V CA -1.243 61.127 62.300 0.116 0.000 1.047 698 V CB 2.432 34.286 31.823 0.051 0.000 1.068 698 V HN -0.041 nan 8.190 nan 0.000 0.441 699 E N 1.284 121.641 120.200 0.261 0.000 2.197 699 E HA 0.456 4.692 4.350 -0.191 0.000 0.281 699 E C -1.971 174.983 176.600 0.590 0.000 0.995 699 E CA -0.422 56.204 56.400 0.376 0.000 0.808 699 E CB 2.050 31.905 29.700 0.260 0.000 1.093 699 E HN 0.695 nan 8.360 nan 0.000 0.394 700 Y N 3.121 123.676 120.300 0.426 0.000 2.373 700 Y HA 0.369 4.804 4.550 -0.193 0.000 0.336 700 Y C -1.673 174.301 175.900 0.123 0.000 0.979 700 Y CA -1.341 56.952 58.100 0.321 0.000 1.080 700 Y CB 1.051 39.723 38.460 0.354 0.000 1.190 700 Y HN 0.416 nan 8.280 nan 0.000 0.446 701 L N 7.694 128.578 121.223 -0.564 0.000 2.305 701 L HA 0.661 4.887 4.340 -0.191 0.000 0.284 701 L C -2.140 174.254 176.870 -0.793 0.000 1.013 701 L CA -0.735 53.616 54.840 -0.814 0.000 0.819 701 L CB 1.286 42.504 42.059 -1.402 0.000 1.227 701 L HN 0.632 nan 8.230 nan 0.000 0.417 702 L N 6.680 127.554 121.223 -0.582 0.000 2.325 702 L HA 0.700 4.925 4.340 -0.191 0.000 0.281 702 L C -1.219 175.528 176.870 -0.206 0.000 1.004 702 L CA -0.071 54.489 54.840 -0.466 0.000 0.823 702 L CB 1.353 43.163 42.059 -0.414 0.000 1.236 702 L HN 0.598 nan 8.230 nan 0.000 0.415 703 I N 4.424 124.882 120.570 -0.187 0.000 2.582 703 I HA 0.465 4.520 4.170 -0.191 0.000 0.292 703 I C -1.226 174.861 176.117 -0.050 0.000 1.066 703 I CA -0.639 60.604 61.300 -0.095 0.000 1.053 703 I CB 2.043 39.945 38.000 -0.163 0.000 1.241 703 I HN 0.669 nan 8.210 nan 0.000 0.421 704 H N 2.481 121.604 119.070 0.089 0.000 3.087 704 H HA 0.464 4.907 4.556 -0.188 0.000 0.348 704 H C -0.319 175.249 175.328 0.399 0.000 1.092 704 H CA -0.574 55.574 56.048 0.166 0.000 1.285 704 H CB 1.919 31.709 29.762 0.048 0.000 1.875 704 H HN 0.748 nan 8.280 nan 0.000 0.512 705 G N 1.119 110.253 108.800 0.556 0.000 2.390 705 G HA2 0.205 4.051 3.960 -0.191 0.000 0.270 705 G HA3 0.205 4.051 3.960 -0.191 0.000 0.270 705 G C 1.160 176.353 174.900 0.489 0.000 1.211 705 G CA 0.133 45.532 45.100 0.498 0.000 0.842 705 G HN 0.747 nan 8.290 nan 0.000 0.519 706 T N -0.691 114.027 114.554 0.273 0.000 2.995 706 T HA 0.084 4.319 4.350 -0.191 0.000 0.269 706 T C 1.626 176.320 174.700 -0.010 0.000 1.091 706 T CA 1.243 63.339 62.100 -0.008 0.000 1.128 706 T CB 0.166 68.945 68.868 -0.147 0.000 0.891 706 T HN 0.710 nan 8.240 nan 0.000 0.492 707 A N 1.177 124.048 122.820 0.085 0.000 2.842 707 A HA 0.344 4.549 4.320 -0.191 0.000 0.298 707 A C 0.262 177.817 177.584 -0.049 0.000 1.293 707 A CA -0.532 51.516 52.037 0.017 0.000 0.959 707 A CB -0.269 18.997 19.000 0.442 0.000 1.119 707 A HN 0.370 nan 8.150 nan 0.000 0.564 708 D N 1.343 121.719 120.400 -0.040 0.000 2.365 708 D HA 0.036 4.562 4.640 -0.191 0.000 0.237 708 D C 0.346 176.644 176.300 -0.004 0.000 1.190 708 D CA -0.108 53.986 54.000 0.157 0.000 0.867 708 D CB 0.750 41.789 40.800 0.398 0.000 1.050 708 D HN 0.532 nan 8.370 nan 0.000 0.491 709 D N 2.273 122.728 120.400 0.093 0.000 2.323 709 D HA -0.118 4.408 4.640 -0.191 0.000 0.209 709 D C 1.029 177.360 176.300 0.053 0.000 0.973 709 D CA 0.210 54.230 54.000 0.033 0.000 0.874 709 D CB 0.267 41.077 40.800 0.017 0.000 0.930 709 D HN 0.475 nan 8.370 nan 0.000 0.521 710 N N 0.062 118.885 118.700 0.204 0.000 2.324 710 N HA -0.033 4.593 4.740 -0.191 0.000 0.192 710 N C -0.214 175.305 175.510 0.015 0.000 1.046 710 N CA 0.179 53.390 53.050 0.267 0.000 0.898 710 N CB 0.725 39.382 38.487 0.285 0.000 1.079 710 N HN -0.175 nan 8.380 nan 0.000 0.456 711 V N 2.403 122.313 119.914 -0.006 0.000 2.318 711 V HA 0.218 4.224 4.120 -0.191 0.000 0.271 711 V C -0.843 175.310 176.094 0.099 0.000 1.030 711 V CA -0.391 61.914 62.300 0.009 0.000 0.844 711 V CB 0.194 32.037 31.823 0.033 0.000 1.015 711 V HN 0.327 nan 8.190 nan 0.000 0.460 712 H N 3.193 122.239 119.070 -0.041 0.000 2.771 712 H HA 0.046 4.488 4.556 -0.190 0.000 0.364 712 H C 0.774 175.951 175.328 -0.252 0.000 1.133 712 H CA -0.208 55.739 56.048 -0.169 0.000 1.423 712 H CB 0.867 30.449 29.762 -0.300 0.000 1.425 712 H HN 0.614 nan 8.280 nan 0.000 0.606 713 F N 1.674 121.435 119.950 -0.315 0.000 2.147 713 F HA -0.316 4.096 4.527 -0.191 0.000 0.301 713 F C 2.624 178.144 175.800 -0.468 0.000 1.084 713 F CA 1.855 59.491 58.000 -0.607 0.000 1.268 713 F CB -0.211 38.595 39.000 -0.323 0.000 1.009 713 F HN 0.668 nan 8.300 nan 0.000 0.486 714 Q N 0.185 119.851 119.800 -0.225 0.000 2.142 714 Q HA -0.346 3.879 4.340 -0.191 0.000 0.213 714 Q C 2.081 177.817 176.000 -0.440 0.000 1.004 714 Q CA 2.583 58.194 55.803 -0.320 0.000 0.883 714 Q CB -0.400 28.125 28.738 -0.355 0.000 0.939 714 Q HN 0.617 nan 8.270 nan 0.000 0.413 715 Q N -0.537 119.031 119.800 -0.387 0.000 2.124 715 Q HA -0.108 4.118 4.340 -0.191 0.000 0.202 715 Q C 2.281 178.150 176.000 -0.217 0.000 0.977 715 Q CA 1.569 57.252 55.803 -0.200 0.000 0.850 715 Q CB -0.029 28.687 28.738 -0.036 0.000 0.901 715 Q HN 0.316 nan 8.270 nan 0.000 0.429 716 S N 0.707 116.158 115.700 -0.414 0.000 2.377 716 S HA -0.034 4.321 4.470 -0.191 0.000 0.223 716 S C 2.113 176.444 174.600 -0.447 0.000 1.030 716 S CA 0.741 58.706 58.200 -0.392 0.000 0.970 716 S CB -0.183 62.751 63.200 -0.444 0.000 0.830 716 S HN 0.484 nan 8.310 nan 0.000 0.473 717 A N 1.609 124.041 122.820 -0.646 0.000 1.927 717 A HA -0.211 3.994 4.320 -0.191 0.000 0.220 717 A C 2.113 179.590 177.584 -0.179 0.000 1.185 717 A CA 1.499 53.326 52.037 -0.350 0.000 0.639 717 A CB -0.589 18.283 19.000 -0.214 0.000 0.820 717 A HN 0.406 nan 8.150 nan 0.000 0.451 718 Q N -0.667 119.029 119.800 -0.174 0.000 2.172 718 Q HA -0.022 4.203 4.340 -0.191 0.000 0.200 718 Q C 2.164 178.111 176.000 -0.087 0.000 0.964 718 Q CA 1.104 56.862 55.803 -0.076 0.000 0.855 718 Q CB -0.334 28.419 28.738 0.026 0.000 0.918 718 Q HN 0.802 nan 8.270 nan 0.000 0.444 719 I N 1.086 121.574 120.570 -0.135 0.000 2.142 719 I HA -0.293 3.763 4.170 -0.191 0.000 0.240 719 I C 2.606 178.562 176.117 -0.268 0.000 1.078 719 I CA 1.467 62.644 61.300 -0.204 0.000 1.343 719 I CB -0.513 37.362 38.000 -0.208 0.000 1.046 719 I HN 0.185 nan 8.210 nan 0.000 0.405 720 S N 1.021 116.588 115.700 -0.222 0.000 2.374 720 S HA -0.317 4.038 4.470 -0.191 0.000 0.227 720 S C 2.062 176.650 174.600 -0.020 0.000 1.037 720 S CA 1.751 59.868 58.200 -0.138 0.000 1.024 720 S CB -0.525 62.733 63.200 0.095 0.000 0.861 720 S HN 0.382 nan 8.310 nan 0.000 0.456 721 K N 1.542 121.926 120.400 -0.027 0.000 2.097 721 K HA 0.009 4.215 4.320 -0.191 0.000 0.206 721 K C 2.274 178.863 176.600 -0.019 0.000 1.049 721 K CA 1.189 57.476 56.287 -0.000 0.000 0.933 721 K CB -0.659 31.836 32.500 -0.008 0.000 0.717 721 K HN 0.492 nan 8.250 nan 0.000 0.442 722 A N 0.804 123.581 122.820 -0.073 0.000 1.898 722 A HA -0.070 4.135 4.320 -0.191 0.000 0.216 722 A C 2.056 179.583 177.584 -0.096 0.000 1.181 722 A CA 1.111 53.098 52.037 -0.083 0.000 0.620 722 A CB -0.495 18.435 19.000 -0.117 0.000 0.819 722 A HN 0.295 nan 8.150 nan 0.000 0.442 723 L N -0.522 120.597 121.223 -0.172 0.000 2.056 723 L HA -0.138 4.088 4.340 -0.191 0.000 0.207 723 L C 2.483 179.396 176.870 0.071 0.000 1.078 723 L CA 0.912 55.664 54.840 -0.147 0.000 0.749 723 L CB -0.540 41.249 42.059 -0.449 0.000 0.901 723 L HN 0.227 nan 8.230 nan 0.000 0.433 724 V N -0.233 119.763 119.914 0.136 0.000 2.407 724 V HA -0.292 3.714 4.120 -0.191 0.000 0.248 724 V C 1.949 178.087 176.094 0.074 0.000 1.055 724 V CA 1.861 64.247 62.300 0.143 0.000 1.049 724 V CB -0.549 31.352 31.823 0.130 0.000 0.662 724 V HN 0.430 nan 8.190 nan 0.000 0.455 725 D N 0.223 120.648 120.400 0.041 0.000 2.264 725 D HA -0.085 4.440 4.640 -0.191 0.000 0.208 725 D C 1.795 178.111 176.300 0.027 0.000 0.966 725 D CA 1.511 55.527 54.000 0.027 0.000 0.864 725 D CB -0.035 40.772 40.800 0.012 0.000 0.933 725 D HN 0.561 nan 8.370 nan 0.000 0.499 726 V N -3.598 116.334 119.914 0.030 0.000 3.542 726 V HA 0.486 4.492 4.120 -0.191 0.000 0.296 726 V C 1.258 177.385 176.094 0.054 0.000 1.364 726 V CA 0.297 62.618 62.300 0.035 0.000 1.118 726 V CB -0.146 31.695 31.823 0.030 0.000 0.972 726 V HN 0.138 nan 8.190 nan 0.000 0.430 727 G N 0.490 109.330 108.800 0.066 0.000 2.246 727 G HA2 -0.192 3.653 3.960 -0.191 0.000 0.273 727 G HA3 -0.192 3.653 3.960 -0.191 0.000 0.273 727 G C -0.053 174.911 174.900 0.106 0.000 1.055 727 G CA 0.241 45.388 45.100 0.077 0.000 0.851 727 G HN 0.827 nan 8.290 nan 0.000 0.500 728 V N 0.610 120.610 119.914 0.144 0.000 2.406 728 V HA 0.411 4.416 4.120 -0.191 0.000 0.272 728 V C 0.561 176.841 176.094 0.310 0.000 1.043 728 V CA -0.454 61.967 62.300 0.202 0.000 0.915 728 V CB 1.636 33.572 31.823 0.188 0.000 0.988 728 V HN 0.446 nan 8.190 nan 0.000 0.466 729 D N 4.235 124.779 120.400 0.239 0.000 2.341 729 D HA 0.569 5.095 4.640 -0.191 0.000 0.245 729 D C -0.540 175.974 176.300 0.357 0.000 1.106 729 D CA 0.293 54.402 54.000 0.182 0.000 0.905 729 D CB 0.697 41.547 40.800 0.084 0.000 1.202 729 D HN 0.371 nan 8.370 nan 0.000 0.426 730 F N -0.559 119.460 119.950 0.114 0.000 2.807 730 F HA 0.419 4.831 4.527 -0.193 0.000 0.316 730 F C -1.537 174.303 175.800 0.067 0.000 1.162 730 F CA -1.205 56.880 58.000 0.141 0.000 0.910 730 F CB 0.759 39.875 39.000 0.193 0.000 1.314 730 F HN 0.038 nan 8.300 nan 0.000 0.454 731 Q N 1.522 121.417 119.800 0.158 0.000 2.245 731 Q HA 0.803 5.029 4.340 -0.191 0.000 0.256 731 Q C -0.756 175.262 176.000 0.031 0.000 0.942 731 Q CA -0.674 55.127 55.803 -0.005 0.000 0.896 731 Q CB 1.975 30.693 28.738 -0.035 0.000 1.272 731 Q HN 1.011 nan 8.270 nan 0.000 0.442 732 A N 1.997 124.809 122.820 -0.012 0.000 2.515 732 A HA 0.864 5.070 4.320 -0.191 0.000 0.296 732 A C -1.213 176.337 177.584 -0.058 0.000 1.094 732 A CA -0.601 51.456 52.037 0.033 0.000 0.718 732 A CB 1.849 20.942 19.000 0.156 0.000 1.307 732 A HN 0.618 nan 8.150 nan 0.000 0.408 733 M N 1.605 121.158 119.600 -0.080 0.000 2.255 733 M HA 0.552 4.918 4.480 -0.191 0.000 0.275 733 M C -1.779 174.421 176.300 -0.165 0.000 1.050 733 M CA -0.549 54.568 55.300 -0.304 0.000 0.978 733 M CB 1.120 33.461 32.600 -0.433 0.000 1.761 733 M HN 0.903 nan 8.290 nan 0.000 0.479 734 W N 4.291 125.455 121.300 -0.226 0.000 2.436 734 W HA 0.784 5.331 4.660 -0.189 0.000 0.347 734 W C -1.944 174.313 176.519 -0.436 0.000 1.136 734 W CA -0.771 56.516 57.345 -0.096 0.000 1.286 734 W CB 0.385 29.843 29.460 -0.003 0.000 1.253 734 W HN 0.602 nan 8.180 nan 0.000 0.617 735 Y N 1.907 122.355 120.300 0.247 0.000 2.376 735 Y HA 0.296 4.732 4.550 -0.190 0.000 0.326 735 Y C 0.383 176.414 175.900 0.217 0.000 0.970 735 Y CA -1.183 56.981 58.100 0.107 0.000 1.248 735 Y CB 1.400 39.892 38.460 0.053 0.000 1.117 735 Y HN 0.411 nan 8.280 nan 0.000 0.476 736 T N 4.482 119.216 114.554 0.299 0.000 2.831 736 T HA -0.015 4.220 4.350 -0.191 0.000 0.291 736 T C 0.192 174.962 174.700 0.117 0.000 0.981 736 T CA 0.684 62.894 62.100 0.184 0.000 1.174 736 T CB -0.096 68.815 68.868 0.071 0.000 0.929 736 T HN 0.728 nan 8.240 nan 0.000 0.532 737 D N 0.425 120.861 120.400 0.060 0.000 2.978 737 D HA -0.126 4.400 4.640 -0.191 0.000 0.205 737 D C 0.325 176.740 176.300 0.193 0.000 1.093 737 D CA 1.216 55.175 54.000 -0.068 0.000 1.006 737 D CB -0.428 40.124 40.800 -0.414 0.000 1.116 737 D HN 0.562 nan 8.370 nan 0.000 0.419 738 E N 1.177 121.515 120.200 0.231 0.000 2.366 738 E HA 0.296 4.531 4.350 -0.191 0.000 0.266 738 E C 0.793 177.571 176.600 0.297 0.000 1.051 738 E CA -0.064 56.492 56.400 0.260 0.000 0.884 738 E CB 0.926 30.767 29.700 0.234 0.000 1.006 738 E HN 0.396 nan 8.360 nan 0.000 0.417 739 D N -0.280 120.305 120.400 0.308 0.000 2.560 739 D HA 0.011 4.536 4.640 -0.191 0.000 0.277 739 D C 1.087 177.608 176.300 0.369 0.000 1.194 739 D CA -0.286 53.920 54.000 0.345 0.000 1.092 739 D CB -0.201 40.827 40.800 0.380 0.000 1.169 739 D HN 0.419 nan 8.370 nan 0.000 0.607 740 H N -1.228 118.023 119.070 0.301 0.000 2.422 740 H HA 0.041 4.484 4.556 -0.188 0.000 0.298 740 H C 1.979 177.552 175.328 0.409 0.000 1.098 740 H CA 2.389 58.638 56.048 0.335 0.000 1.315 740 H CB -0.507 29.435 29.762 0.301 0.000 1.382 740 H HN 0.510 nan 8.280 nan 0.000 0.523 741 G N 0.147 109.101 108.800 0.256 0.000 2.534 741 G HA2 -0.071 3.774 3.960 -0.191 0.000 0.217 741 G HA3 -0.071 3.774 3.960 -0.191 0.000 0.217 741 G C 0.613 175.642 174.900 0.215 0.000 1.128 741 G CA 0.359 45.518 45.100 0.098 0.000 0.784 741 G HN 0.562 nan 8.290 nan 0.000 0.542 742 I N 0.052 120.799 120.570 0.295 0.000 3.775 742 I HA -0.318 3.738 4.170 -0.191 0.000 0.126 742 I C 1.297 177.525 176.117 0.185 0.000 1.037 742 I CA 0.254 61.679 61.300 0.209 0.000 2.738 742 I CB -1.125 36.960 38.000 0.142 0.000 1.374 742 I HN 0.258 nan 8.210 nan 0.000 0.342 743 A N 1.790 124.697 122.820 0.144 0.000 2.571 743 A HA 0.365 4.570 4.320 -0.191 0.000 0.274 743 A C 0.917 178.545 177.584 0.074 0.000 1.196 743 A CA -0.062 52.034 52.037 0.098 0.000 0.957 743 A CB 0.384 19.411 19.000 0.045 0.000 1.150 743 A HN 0.421 nan 8.150 nan 0.000 0.539 744 S N 0.056 115.814 115.700 0.097 0.000 2.568 744 S HA 0.112 4.468 4.470 -0.191 0.000 0.282 744 S C 1.593 176.243 174.600 0.082 0.000 1.338 744 S CA 0.473 58.724 58.200 0.084 0.000 1.045 744 S CB 1.273 64.528 63.200 0.092 0.000 0.873 744 S HN 0.547 nan 8.310 nan 0.000 0.516 745 S N 1.947 117.680 115.700 0.055 0.000 2.359 745 S HA -0.186 4.169 4.470 -0.191 0.000 0.223 745 S C 2.283 176.937 174.600 0.090 0.000 1.039 745 S CA 2.255 60.488 58.200 0.054 0.000 1.042 745 S CB -0.756 62.459 63.200 0.026 0.000 0.915 745 S HN 0.962 nan 8.310 nan 0.000 0.439 746 T N -0.606 113.993 114.554 0.075 0.000 2.904 746 T HA 0.234 4.470 4.350 -0.191 0.000 0.267 746 T C 1.873 176.630 174.700 0.095 0.000 1.059 746 T CA 1.169 63.315 62.100 0.078 0.000 1.137 746 T CB -0.625 68.278 68.868 0.059 0.000 0.879 746 T HN 0.405 nan 8.240 nan 0.000 0.467 747 A N 1.246 124.110 122.820 0.075 0.000 1.929 747 A HA -0.014 4.191 4.320 -0.191 0.000 0.216 747 A C 2.178 179.743 177.584 -0.031 0.000 1.176 747 A CA 1.764 53.802 52.037 0.002 0.000 0.628 747 A CB -1.140 17.845 19.000 -0.025 0.000 0.816 747 A HN 0.749 nan 8.150 nan 0.000 0.444 748 H N -0.232 118.829 119.070 -0.014 0.000 2.353 748 H HA -0.093 4.346 4.556 -0.194 0.000 0.300 748 H C 2.089 177.477 175.328 0.100 0.000 1.090 748 H CA 2.193 58.275 56.048 0.058 0.000 1.327 748 H CB -0.161 29.637 29.762 0.060 0.000 1.383 748 H HN 0.549 nan 8.280 nan 0.000 0.508 749 Q N -0.938 118.886 119.800 0.040 0.000 2.124 749 Q HA -0.192 4.033 4.340 -0.191 0.000 0.202 749 Q C 2.114 178.105 176.000 -0.015 0.000 0.977 749 Q CA 1.380 57.168 55.803 -0.026 0.000 0.850 749 Q CB -0.142 28.612 28.738 0.027 0.000 0.901 749 Q HN 0.652 nan 8.270 nan 0.000 0.429 750 H N 0.414 119.457 119.070 -0.044 0.000 2.395 750 H HA -0.027 4.415 4.556 -0.189 0.000 0.299 750 H C 1.983 177.306 175.328 -0.008 0.000 1.070 750 H CA 1.088 57.140 56.048 0.006 0.000 1.356 750 H CB 0.135 29.951 29.762 0.091 0.000 1.401 750 H HN 0.280 nan 8.280 nan 0.000 0.524 751 I N -0.042 120.495 120.570 -0.056 0.000 2.286 751 I HA -0.273 3.783 4.170 -0.191 0.000 0.245 751 I C 1.728 177.602 176.117 -0.405 0.000 1.104 751 I CA 0.942 62.125 61.300 -0.194 0.000 1.397 751 I CB -0.265 37.459 38.000 -0.460 0.000 1.072 751 I HN 0.132 nan 8.210 nan 0.000 0.417 752 Y N 1.164 121.234 120.300 -0.384 0.000 2.242 752 Y HA -0.241 4.192 4.550 -0.194 0.000 0.291 752 Y C 2.711 178.369 175.900 -0.403 0.000 1.137 752 Y CA 2.109 59.869 58.100 -0.566 0.000 1.181 752 Y CB -0.644 37.501 38.460 -0.525 0.000 0.989 752 Y HN 0.165 nan 8.280 nan 0.000 0.527 753 T N -1.587 112.868 114.554 -0.164 0.000 2.708 753 T HA -0.273 3.963 4.350 -0.191 0.000 0.266 753 T C 1.522 176.079 174.700 -0.239 0.000 1.037 753 T CA 1.958 63.920 62.100 -0.231 0.000 1.146 753 T CB -0.558 68.181 68.868 -0.214 0.000 0.865 753 T HN 0.410 nan 8.240 nan 0.000 0.435 754 H N 0.928 119.851 119.070 -0.245 0.000 2.321 754 H HA 0.089 4.531 4.556 -0.190 0.000 0.300 754 H C 2.197 177.491 175.328 -0.057 0.000 1.087 754 H CA 1.575 57.559 56.048 -0.107 0.000 1.319 754 H CB -0.317 29.368 29.762 -0.127 0.000 1.379 754 H HN 0.261 nan 8.280 nan 0.000 0.501 755 M N -0.861 118.639 119.600 -0.167 0.000 2.117 755 M HA -0.167 4.198 4.480 -0.191 0.000 0.262 755 M C 2.429 178.798 176.300 0.116 0.000 1.065 755 M CA 1.572 56.762 55.300 -0.183 0.000 1.114 755 M CB -0.054 32.160 32.600 -0.643 0.000 1.361 755 M HN 0.203 nan 8.290 nan 0.000 0.408 756 S N -0.554 115.234 115.700 0.147 0.000 2.368 756 S HA -0.176 4.179 4.470 -0.191 0.000 0.225 756 S C 1.571 176.272 174.600 0.169 0.000 1.030 756 S CA 1.341 59.749 58.200 0.347 0.000 0.999 756 S CB -0.653 62.746 63.200 0.332 0.000 0.844 756 S HN 0.556 nan 8.310 nan 0.000 0.459 757 H N -0.589 118.542 119.070 0.101 0.000 2.352 757 H HA -0.091 4.355 4.556 -0.185 0.000 0.299 757 H C 1.946 177.280 175.328 0.010 0.000 1.097 757 H CA 1.689 57.756 56.048 0.031 0.000 1.311 757 H CB -0.208 29.533 29.762 -0.036 0.000 1.377 757 H HN 0.385 nan 8.280 nan 0.000 0.504 758 F N 0.896 120.826 119.950 -0.033 0.000 2.134 758 F HA -0.196 4.212 4.527 -0.198 0.000 0.299 758 F C 2.021 177.774 175.800 -0.078 0.000 1.097 758 F CA 0.981 58.925 58.000 -0.092 0.000 1.264 758 F CB -0.150 38.754 39.000 -0.161 0.000 1.001 758 F HN 0.052 nan 8.300 nan 0.000 0.479 759 I N 0.633 121.163 120.570 -0.067 0.000 2.233 759 I HA -0.232 3.824 4.170 -0.191 0.000 0.243 759 I C 2.250 178.194 176.117 -0.289 0.000 1.093 759 I CA 1.346 62.463 61.300 -0.305 0.000 1.380 759 I CB -1.257 36.676 38.000 -0.111 0.000 1.067 759 I HN 0.176 nan 8.210 nan 0.000 0.413 760 K N 0.629 121.002 120.400 -0.045 0.000 2.113 760 K HA -0.264 3.942 4.320 -0.191 0.000 0.208 760 K C 2.013 178.611 176.600 -0.003 0.000 1.047 760 K CA 1.921 58.231 56.287 0.039 0.000 0.928 760 K CB -0.143 32.424 32.500 0.112 0.000 0.716 760 K HN 0.441 nan 8.250 nan 0.000 0.446 761 Q N 0.578 120.330 119.800 -0.081 0.000 2.137 761 Q HA -0.123 4.102 4.340 -0.191 0.000 0.198 761 Q C 2.173 178.080 176.000 -0.155 0.000 0.960 761 Q CA 1.665 57.410 55.803 -0.097 0.000 0.847 761 Q CB -1.029 27.654 28.738 -0.092 0.000 0.915 761 Q HN 0.321 nan 8.270 nan 0.000 0.448 762 c N -0.380 118.013 118.600 -0.346 0.000 2.419 762 c HA 0.043 4.499 4.570 -0.191 0.000 0.281 762 c C 1.538 175.599 174.090 -0.047 0.000 1.336 762 c CA 0.350 56.477 56.329 -0.338 0.000 1.770 762 c CB -1.207 40.916 42.510 -0.645 0.000 1.929 762 c HN 0.586 nan 8.230 nan 0.000 0.509 763 F N 1.535 121.436 119.950 -0.082 0.000 2.727 763 F HA 0.250 4.649 4.527 -0.214 0.000 0.302 763 F C 1.648 177.429 175.800 -0.032 0.000 1.097 763 F CA 0.438 58.413 58.000 -0.041 0.000 1.330 763 F CB -0.897 38.086 39.000 -0.029 0.000 1.084 763 F HN 0.252 nan 8.300 nan 0.000 0.578 764 S N 0.663 116.445 115.700 0.138 0.000 3.698 764 S HA -0.210 4.145 4.470 -0.191 0.000 0.338 764 S C -0.058 174.586 174.600 0.073 0.000 1.089 764 S CA 0.026 58.270 58.200 0.074 0.000 0.991 764 S CB -2.389 60.842 63.200 0.052 0.000 0.909 764 S HN 0.225 nan 8.310 nan 0.000 0.485 765 L N 2.264 123.545 121.223 0.096 0.000 2.276 765 L HA 0.455 4.681 4.340 -0.191 0.000 0.286 765 L C -1.010 175.901 176.870 0.070 0.000 1.061 765 L CA -1.888 53.002 54.840 0.083 0.000 0.807 765 L CB 0.479 42.602 42.059 0.107 0.000 1.177 765 L HN 0.070 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.053 0.000 0.800 766 P CB 0.000 31.724 31.700 0.040 0.000 0.726