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 2vr4_1_B DATA FIRST_RESID 27 DATA SEQUENCE GNDTSEVMLL DTGWEFSQSG TEKWMPATVP GTVHQDLISH ELLPNPFYGM DATA SEQUENCE NEKKIQWVEN EDWEYRTSFI VSEEQLNRDG IQLIFEGLDT YADVYLNGSL DATA SEQUENCE LLKADNMFVG YTLPVKSVLR KGENHLYIYF HSPIRQTLPQ YASNGFNYPA DATA SEQUENCE DNDHHEKHLS VFSRKAPYSY GWDWGIRMVT SGVWRPVTLR FYDIATISDY DATA SEQUENCE YVRQLSLTDE NARLSNELIV NQIVPQKIPA EVRVNVSLNG TTVTEVKQQV DATA SEQUENCE TLQPGINHIT LPAEVTNPVR WMPNGWGTPT LYDFSAQIAC GDRIVAEQSH DATA SEQUENCE RIGLRTIRVV NEKDKDGESF YFEVNGIPMF AKGANYIPQD ALLPNVTTER DATA SEQUENCE YQTLFRDMKE ANMNMVRIWG GGTYENNLFY DLADENGILV WQDFMFACTP DATA SEQUENCE YPSDPTFLKR VEAEAVYNIR RLRNHASLAM WCGNNEILEA LKYWGFEKKF DATA SEQUENCE TPEVYQGLMH GYDKLFRELL PSTVKEFDSD RFYVHSSPYL ANWGRPESWG DATA SEQUENCE TGDSHNWGVW YGKKPFESLD TDLPRFMSEF GFQSFPEMKT IAAFAAPEDY DATA SEQUENCE QIESEVMNAH QKSSIGNSLI RTYMERDYII PESFEDFVYV GLVLQGQGMR DATA SEQUENCE HGLEAHRRNR PYCMGTLYWQ LNDSWPVVSW SSIDYYGNWK ALHYQAKRAF DATA SEQUENCE APVLINPIQQ NDSLSVYLIS DRLDTMEQMT LEMKVVDFDG KTLGKKIQVH DATA SEQUENCE SLEVPANTSK CVYRAKLDGW LTPEDCRRSF LKLILKDKSG HQVAESVHFF DATA SEQUENCE RKTKDLQLPP TSVSYQMKQT DGKCELTLFS SMLAKDIFIE TPLQGARYSD DATA SEQUENCE NFFDLLPGER KKVIITSPRI KKGEELPVNI KHIRETYKEH H 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 27 G C 0.000 174.895 174.900 -0.008 0.000 0.946 27 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 28 N N 2.049 120.745 118.700 -0.007 0.000 2.739 28 N HA 0.454 5.194 4.740 -0.000 0.000 0.266 28 N C -0.844 174.666 175.510 -0.001 0.000 1.168 28 N CA 0.019 53.069 53.050 -0.000 0.000 1.055 28 N CB 0.758 39.245 38.487 0.000 0.000 1.393 28 N HN 0.687 nan 8.380 nan 0.000 0.514 29 D N -2.847 117.557 120.400 0.007 0.000 2.825 29 D HA 0.211 4.851 4.640 -0.000 0.000 0.327 29 D C 0.579 176.895 176.300 0.028 0.000 1.277 29 D CA -0.704 53.303 54.000 0.012 0.000 0.950 29 D CB -0.069 40.734 40.800 0.006 0.000 1.438 29 D HN 0.047 nan 8.370 nan 0.000 0.526 30 T N -2.699 111.879 114.554 0.041 0.000 3.129 30 T HA 0.190 4.540 4.350 -0.000 0.000 0.251 30 T C 0.767 175.514 174.700 0.079 0.000 1.117 30 T CA 0.258 62.389 62.100 0.051 0.000 1.034 30 T CB -0.846 68.051 68.868 0.047 0.000 0.968 30 T HN 0.568 nan 8.240 nan 0.000 0.526 31 S N 0.776 116.534 115.700 0.097 0.000 2.579 31 S HA 0.243 4.712 4.470 -0.000 0.000 0.275 31 S C -0.202 174.475 174.600 0.129 0.000 1.345 31 S CA -0.846 57.442 58.200 0.146 0.000 1.031 31 S CB 1.052 64.336 63.200 0.140 0.000 0.892 31 S HN 0.613 nan 8.310 nan 0.000 0.529 32 E N 0.954 121.268 120.200 0.191 0.000 2.183 32 E HA 0.538 4.888 4.350 -0.000 0.000 0.271 32 E C -1.587 175.167 176.600 0.257 0.000 0.919 32 E CA -0.956 55.552 56.400 0.181 0.000 0.781 32 E CB 1.577 31.358 29.700 0.135 0.000 1.140 32 E HN 0.558 nan 8.360 nan 0.000 0.402 33 V N 5.579 125.590 119.914 0.163 0.000 2.448 33 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 33 V C -0.043 176.128 176.094 0.127 0.000 1.025 33 V CA -0.687 61.689 62.300 0.127 0.000 0.859 33 V CB 1.495 33.349 31.823 0.052 0.000 0.988 33 V HN 0.792 nan 8.190 nan 0.000 0.431 34 M N 6.064 125.747 119.600 0.138 0.000 2.227 34 M HA 0.597 5.077 4.480 -0.000 0.000 0.335 34 M C -1.595 174.708 176.300 0.006 0.000 1.053 34 M CA -0.578 54.779 55.300 0.095 0.000 0.973 34 M CB 1.328 34.035 32.600 0.178 0.000 1.623 34 M HN 0.530 nan 8.290 nan 0.000 0.434 35 L N 6.086 127.318 121.223 0.014 0.000 2.276 35 L HA 0.354 4.694 4.340 -0.000 0.000 0.286 35 L C -0.539 176.345 176.870 0.023 0.000 1.061 35 L CA -0.454 54.392 54.840 0.011 0.000 0.807 35 L CB 1.036 43.115 42.059 0.035 0.000 1.177 35 L HN 0.730 nan 8.230 nan 0.000 0.429 36 L N 4.340 125.583 121.223 0.034 0.000 2.422 36 L HA 0.146 4.485 4.340 -0.000 0.000 0.256 36 L C 0.119 177.227 176.870 0.398 0.000 1.202 36 L CA -0.123 54.792 54.840 0.124 0.000 1.119 36 L CB -0.210 41.889 42.059 0.066 0.000 1.383 36 L HN 0.706 nan 8.230 nan 0.000 0.411 37 D N -1.487 119.089 120.400 0.295 0.000 2.469 37 D HA 0.050 4.690 4.640 -0.000 0.000 0.213 37 D C 0.556 177.065 176.300 0.348 0.000 1.135 37 D CA -0.003 54.179 54.000 0.303 0.000 0.834 37 D CB 0.481 41.373 40.800 0.153 0.000 1.009 37 D HN 0.322 nan 8.370 nan 0.000 0.507 38 T N -5.037 109.721 114.554 0.340 0.000 2.865 38 T HA 0.537 4.887 4.350 -0.000 0.000 0.294 38 T C 0.936 175.769 174.700 0.222 0.000 1.119 38 T CA -0.327 61.941 62.100 0.281 0.000 1.007 38 T CB 1.646 70.612 68.868 0.163 0.000 1.225 38 T HN 0.369 nan 8.240 nan 0.000 0.515 39 G N -0.100 108.822 108.800 0.204 0.000 2.179 39 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 39 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 39 G C -0.231 174.737 174.900 0.113 0.000 1.010 39 G CA 0.023 45.195 45.100 0.120 0.000 0.736 39 G HN 0.768 nan 8.290 nan 0.000 0.513 40 W N 0.108 121.520 121.300 0.187 0.000 2.303 40 W HA 0.680 5.340 4.660 -0.000 0.000 0.334 40 W C 0.750 177.438 176.519 0.283 0.000 1.197 40 W CA -0.484 57.009 57.345 0.246 0.000 1.262 40 W CB 0.846 30.493 29.460 0.313 0.000 1.153 40 W HN 0.202 nan 8.180 nan 0.000 0.596 41 E N 1.331 121.892 120.200 0.601 0.000 2.416 41 E HA 0.576 4.926 4.350 -0.000 0.000 0.273 41 E C -1.374 175.629 176.600 0.671 0.000 0.935 41 E CA -1.122 55.620 56.400 0.570 0.000 0.784 41 E CB 2.490 32.439 29.700 0.415 0.000 1.301 41 E HN 0.322 nan 8.360 nan 0.000 0.454 42 F N -1.121 118.975 119.950 0.245 0.000 2.629 42 F HA 0.842 5.369 4.527 -0.000 0.000 0.316 42 F C -0.911 174.692 175.800 -0.329 0.000 1.081 42 F CA -0.768 57.096 58.000 -0.227 0.000 0.954 42 F CB 2.175 40.669 39.000 -0.843 0.000 1.337 42 F HN 0.338 nan 8.300 nan 0.000 0.474 43 S N 1.272 116.476 115.700 -0.827 0.000 2.543 43 S HA 0.215 4.685 4.470 -0.000 0.000 0.271 43 S C -1.667 172.638 174.600 -0.492 0.000 1.148 43 S CA -0.691 56.873 58.200 -1.060 0.000 0.914 43 S CB 1.637 63.593 63.200 -2.073 0.000 1.096 43 S HN 1.026 nan 8.310 nan 0.000 0.471 44 Q N 3.032 122.571 119.800 -0.436 0.000 2.271 44 Q HA 0.280 4.620 4.340 -0.000 0.000 0.273 44 Q C 0.164 175.810 176.000 -0.589 0.000 1.051 44 Q CA -0.131 55.221 55.803 -0.752 0.000 0.901 44 Q CB 0.493 28.850 28.738 -0.635 0.000 1.174 44 Q HN 0.729 nan 8.270 nan 0.000 0.385 45 S N 3.250 118.599 115.700 -0.584 0.000 2.549 45 S HA 0.416 4.886 4.470 -0.000 0.000 0.283 45 S C 1.000 175.461 174.600 -0.231 0.000 1.320 45 S CA 0.364 58.360 58.200 -0.339 0.000 1.058 45 S CB 0.996 64.021 63.200 -0.293 0.000 0.882 45 S HN 1.134 nan 8.310 nan 0.000 0.498 46 G N 2.422 111.143 108.800 -0.132 0.000 2.234 46 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.235 46 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.235 46 G C 0.854 175.688 174.900 -0.111 0.000 0.997 46 G CA 0.893 45.939 45.100 -0.091 0.000 0.623 46 G HN 1.746 nan 8.290 nan 0.000 0.514 47 T N -1.845 112.603 114.554 -0.176 0.000 3.044 47 T HA 0.394 4.744 4.350 -0.000 0.000 0.250 47 T C 1.123 175.735 174.700 -0.146 0.000 1.081 47 T CA 1.264 63.264 62.100 -0.168 0.000 1.040 47 T CB -0.077 68.661 68.868 -0.216 0.000 0.962 47 T HN 0.819 nan 8.240 nan 0.000 0.506 48 E N 0.148 120.259 120.200 -0.148 0.000 3.065 48 E HA -0.217 4.133 4.350 -0.000 0.000 0.277 48 E C 0.030 176.604 176.600 -0.044 0.000 1.008 48 E CA 0.802 57.191 56.400 -0.019 0.000 0.864 48 E CB -1.154 28.582 29.700 0.059 0.000 1.439 48 E HN 0.665 nan 8.360 nan 0.000 0.445 49 K N 0.708 120.943 120.400 -0.274 0.000 2.265 49 K HA 0.384 4.704 4.320 -0.000 0.000 0.267 49 K C -1.220 175.085 176.600 -0.492 0.000 0.994 49 K CA -0.611 55.542 56.287 -0.223 0.000 0.860 49 K CB 0.767 33.151 32.500 -0.193 0.000 1.099 49 K HN -0.017 nan 8.250 nan 0.000 0.448 50 W N 4.648 125.860 121.300 -0.146 0.000 2.606 50 W HA 0.480 5.140 4.660 0.000 0.000 0.332 50 W C -0.274 176.125 176.519 -0.200 0.000 1.052 50 W CA -0.818 56.419 57.345 -0.180 0.000 1.223 50 W CB 1.619 31.034 29.460 -0.076 0.000 1.383 50 W HN 0.193 nan 8.180 nan 0.000 0.524 51 M N 2.713 122.285 119.600 -0.048 0.000 2.531 51 M HA 0.355 4.835 4.480 -0.000 0.000 0.286 51 M C -2.606 173.858 176.300 0.274 0.000 1.232 51 M CA -2.575 52.688 55.300 -0.062 0.000 0.877 51 M CB 1.688 34.033 32.600 -0.424 0.000 1.726 51 M HN 0.009 nan 8.290 nan 0.000 0.463 52 P HA 0.206 nan 4.420 nan 0.000 0.264 52 P C -1.114 176.560 177.300 0.623 0.000 1.183 52 P CA 0.182 63.560 63.100 0.463 0.000 0.763 52 P CB 0.482 32.423 31.700 0.401 0.000 0.807 53 A N 2.645 125.773 122.820 0.512 0.000 2.386 53 A HA 0.769 5.089 4.320 -0.000 0.000 0.308 53 A C -0.588 177.155 177.584 0.266 0.000 1.128 53 A CA -0.382 51.873 52.037 0.363 0.000 0.789 53 A CB 1.041 20.314 19.000 0.455 0.000 1.325 53 A HN 0.396 nan 8.150 nan 0.000 0.437 54 T N 0.854 115.475 114.554 0.111 0.000 2.792 54 T HA 0.571 4.921 4.350 -0.000 0.000 0.280 54 T C -0.948 173.717 174.700 -0.057 0.000 0.990 54 T CA -0.228 61.908 62.100 0.061 0.000 0.960 54 T CB 1.040 69.923 68.868 0.024 0.000 0.939 54 T HN 0.514 nan 8.240 nan 0.000 0.439 55 V N 5.920 125.767 119.914 -0.111 0.000 2.588 55 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 55 V C -2.269 173.747 176.094 -0.130 0.000 1.042 55 V CA -2.149 59.962 62.300 -0.316 0.000 0.877 55 V CB 1.892 33.130 31.823 -0.975 0.000 0.996 55 V HN 0.692 nan 8.190 nan 0.000 0.425 56 P HA 0.520 nan 4.420 nan 0.000 0.269 56 P C 0.153 177.386 177.300 -0.111 0.000 1.209 56 P CA 0.359 63.378 63.100 -0.134 0.000 0.776 56 P CB 0.853 32.508 31.700 -0.074 0.000 0.876 57 G N -0.030 108.684 108.800 -0.144 0.000 2.427 57 G HA2 0.601 4.561 3.960 -0.000 0.000 0.306 57 G HA3 0.601 4.561 3.960 -0.000 0.000 0.306 57 G C -1.451 173.338 174.900 -0.185 0.000 1.280 57 G CA -0.320 44.702 45.100 -0.129 0.000 0.837 57 G HN 0.674 nan 8.290 nan 0.000 0.482 58 T N -2.778 111.654 114.554 -0.203 0.000 2.906 58 T HA 0.581 4.931 4.350 -0.000 0.000 0.295 58 T C 0.955 175.460 174.700 -0.325 0.000 1.075 58 T CA 0.048 61.994 62.100 -0.255 0.000 1.005 58 T CB 1.589 70.358 68.868 -0.165 0.000 1.136 58 T HN 0.724 nan 8.240 nan 0.000 0.498 59 V N 0.952 120.617 119.914 -0.416 0.000 2.295 59 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 59 V C 2.481 178.180 176.094 -0.657 0.000 1.049 59 V CA 2.112 64.020 62.300 -0.654 0.000 1.024 59 V CB -1.221 29.969 31.823 -1.055 0.000 0.648 59 V HN 0.985 nan 8.190 nan 0.000 0.447 60 H N -0.416 118.340 119.070 -0.523 0.000 2.319 60 H HA -0.225 4.331 4.556 -0.000 0.000 0.297 60 H C 2.298 177.439 175.328 -0.313 0.000 1.097 60 H CA 2.119 57.920 56.048 -0.412 0.000 1.285 60 H CB -0.215 29.335 29.762 -0.353 0.000 1.368 60 H HN 0.384 nan 8.280 nan 0.000 0.495 61 Q N 0.672 120.378 119.800 -0.156 0.000 2.119 61 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 61 Q C 1.383 177.264 176.000 -0.197 0.000 0.972 61 Q CA 1.634 57.347 55.803 -0.150 0.000 0.847 61 Q CB -0.082 28.588 28.738 -0.114 0.000 0.903 61 Q HN 0.417 nan 8.270 nan 0.000 0.433 62 D N -0.187 120.016 120.400 -0.328 0.000 2.123 62 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 62 D C 1.868 178.068 176.300 -0.165 0.000 0.992 62 D CA 1.126 54.863 54.000 -0.438 0.000 0.833 62 D CB -0.113 40.015 40.800 -1.119 0.000 0.954 62 D HN 0.318 nan 8.370 nan 0.000 0.455 63 L N 0.426 121.554 121.223 -0.159 0.000 2.027 63 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 63 L C 2.564 179.485 176.870 0.084 0.000 1.074 63 L CA 0.661 55.559 54.840 0.097 0.000 0.745 63 L CB -0.308 41.722 42.059 -0.048 0.000 0.898 63 L HN -0.002 nan 8.230 nan 0.000 0.433 64 I N -0.682 119.875 120.570 -0.020 0.000 2.264 64 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 64 I C 2.478 178.583 176.117 -0.019 0.000 1.111 64 I CA 1.177 62.471 61.300 -0.012 0.000 1.382 64 I CB -0.282 37.685 38.000 -0.055 0.000 1.060 64 I HN 0.155 nan 8.210 nan 0.000 0.418 65 S N -0.888 114.758 115.700 -0.090 0.000 2.474 65 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 65 S C 1.357 175.797 174.600 -0.267 0.000 0.997 65 S CA 0.892 58.973 58.200 -0.197 0.000 0.949 65 S CB -0.287 62.732 63.200 -0.302 0.000 0.766 65 S HN 0.454 nan 8.310 nan 0.000 0.517 66 H N 0.588 119.719 119.070 0.101 0.000 2.528 66 H HA 0.254 4.810 4.556 -0.000 0.000 0.282 66 H C -0.021 175.370 175.328 0.106 0.000 1.097 66 H CA -0.055 56.066 56.048 0.123 0.000 1.121 66 H CB -0.031 29.839 29.762 0.181 0.000 1.590 66 H HN 0.459 nan 8.280 nan 0.000 0.553 67 E N 0.876 121.167 120.200 0.152 0.000 2.403 67 E HA -0.210 4.140 4.350 -0.000 0.000 0.241 67 E C 0.384 177.078 176.600 0.158 0.000 1.201 67 E CA 0.167 56.642 56.400 0.126 0.000 0.721 67 E CB -1.467 28.293 29.700 0.100 0.000 1.245 67 E HN 0.487 nan 8.360 nan 0.000 0.392 68 L N -0.619 120.726 121.223 0.204 0.000 2.607 68 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 68 L C 0.766 177.808 176.870 0.287 0.000 1.123 68 L CA 0.263 55.251 54.840 0.245 0.000 0.890 68 L CB 0.165 42.405 42.059 0.301 0.000 1.103 68 L HN 0.116 nan 8.230 nan 0.000 0.468 69 L N 0.152 121.493 121.223 0.197 0.000 2.388 69 L HA 0.533 4.873 4.340 -0.000 0.000 0.264 69 L C -2.288 174.658 176.870 0.127 0.000 0.998 69 L CA -1.845 53.100 54.840 0.176 0.000 0.817 69 L CB 2.673 44.777 42.059 0.075 0.000 1.338 69 L HN -0.207 nan 8.230 nan 0.000 0.414 70 P HA 0.054 nan 4.420 nan 0.000 0.274 70 P C -0.876 176.478 177.300 0.089 0.000 1.256 70 P CA -0.550 62.619 63.100 0.116 0.000 0.795 70 P CB 0.390 32.179 31.700 0.148 0.000 1.038 71 N N 2.031 120.789 118.700 0.096 0.000 2.418 71 N HA -0.029 4.711 4.740 -0.000 0.000 0.277 71 N C -1.329 174.261 175.510 0.133 0.000 1.317 71 N CA -1.369 51.736 53.050 0.092 0.000 0.922 71 N CB -0.137 38.446 38.487 0.160 0.000 1.194 71 N HN 0.197 nan 8.380 nan 0.000 0.485 72 P HA -0.078 nan 4.420 nan 0.000 0.226 72 P C 0.728 178.218 177.300 0.317 0.000 1.153 72 P CA 0.898 64.026 63.100 0.048 0.000 0.777 72 P CB 0.026 31.636 31.700 -0.149 0.000 0.794 73 F N -1.992 118.126 119.950 0.281 0.000 2.743 73 F HA 0.144 4.671 4.527 -0.000 0.000 0.297 73 F C 1.320 177.443 175.800 0.537 0.000 1.131 73 F CA -1.139 57.115 58.000 0.423 0.000 1.426 73 F CB -1.456 37.743 39.000 0.332 0.000 1.116 73 F HN -0.118 nan 8.300 nan 0.000 0.583 74 Y N 0.645 121.256 120.300 0.519 0.000 2.309 74 Y HA 0.444 4.994 4.550 -0.000 0.000 0.327 74 Y C 1.370 177.530 175.900 0.434 0.000 1.172 74 Y CA 0.193 58.558 58.100 0.441 0.000 1.280 74 Y CB 0.485 39.121 38.460 0.294 0.000 1.234 74 Y HN 0.285 nan 8.280 nan 0.000 0.512 75 G N 4.673 113.280 108.800 -0.322 0.000 2.702 75 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.342 75 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.342 75 G C 0.612 175.687 174.900 0.291 0.000 1.258 75 G CA 1.086 46.168 45.100 -0.029 0.000 0.990 75 G HN 0.604 nan 8.290 nan 0.000 0.548 76 M N 1.926 121.671 119.600 0.242 0.000 2.475 76 M HA 0.202 4.682 4.480 -0.000 0.000 0.261 76 M C 1.624 178.044 176.300 0.200 0.000 1.177 76 M CA -0.089 55.336 55.300 0.208 0.000 0.979 76 M CB -0.272 32.422 32.600 0.156 0.000 1.482 76 M HN 0.403 nan 8.290 nan 0.000 0.484 77 N N 1.427 120.277 118.700 0.250 0.000 2.513 77 N HA -0.180 4.560 4.740 -0.000 0.000 0.187 77 N C 1.531 177.140 175.510 0.166 0.000 1.056 77 N CA 0.796 53.981 53.050 0.225 0.000 0.907 77 N CB -0.086 38.566 38.487 0.274 0.000 0.954 77 N HN 0.543 nan 8.380 nan 0.000 0.445 78 E N 1.227 121.508 120.200 0.135 0.000 2.058 78 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 78 E C 2.127 178.762 176.600 0.059 0.000 0.997 78 E CA 1.982 58.413 56.400 0.052 0.000 0.801 78 E CB 0.023 29.717 29.700 -0.010 0.000 0.746 78 E HN 0.397 nan 8.360 nan 0.000 0.450 79 K N 1.407 121.856 120.400 0.082 0.000 2.152 79 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 79 K C 1.884 178.564 176.600 0.133 0.000 1.048 79 K CA 1.804 58.146 56.287 0.092 0.000 0.933 79 K CB -0.660 31.892 32.500 0.087 0.000 0.721 79 K HN 0.160 nan 8.250 nan 0.000 0.447 80 K N -0.256 120.236 120.400 0.155 0.000 2.366 80 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 80 K C 1.814 178.585 176.600 0.285 0.000 1.044 80 K CA 1.308 57.722 56.287 0.212 0.000 0.973 80 K CB -0.060 32.558 32.500 0.197 0.000 0.767 80 K HN 0.735 nan 8.250 nan 0.000 0.475 81 I N -2.926 117.742 120.570 0.163 0.000 4.082 81 I HA 0.087 4.257 4.170 -0.000 0.000 0.337 81 I C 1.192 177.248 176.117 -0.102 0.000 1.352 81 I CA -0.166 61.148 61.300 0.023 0.000 1.097 81 I CB 0.396 38.403 38.000 0.012 0.000 1.048 81 I HN -0.193 nan 8.210 nan 0.000 0.393 82 Q N 1.764 121.597 119.800 0.055 0.000 2.291 82 Q HA -0.102 4.238 4.340 -0.000 0.000 0.205 82 Q C 1.864 177.918 176.000 0.091 0.000 0.970 82 Q CA 1.607 57.445 55.803 0.059 0.000 0.876 82 Q CB -0.409 28.392 28.738 0.104 0.000 0.935 82 Q HN 0.921 nan 8.270 nan 0.000 0.455 83 W N -0.105 121.257 121.300 0.104 0.000 2.364 83 W HA -0.110 4.550 4.660 0.000 0.000 0.281 83 W C 1.292 177.900 176.519 0.147 0.000 1.219 83 W CA 0.652 58.062 57.345 0.107 0.000 1.220 83 W CB -1.044 28.470 29.460 0.090 0.000 1.127 83 W HN -0.125 nan 8.180 nan 0.000 0.556 84 V N 2.837 122.475 119.914 -0.460 0.000 2.392 84 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 84 V C 2.712 178.855 176.094 0.083 0.000 1.059 84 V CA 2.737 64.778 62.300 -0.432 0.000 1.051 84 V CB -1.152 30.051 31.823 -1.033 0.000 0.658 84 V HN 0.342 nan 8.190 nan 0.000 0.455 85 E N 0.158 120.395 120.200 0.062 0.000 2.338 85 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 85 E C 1.476 178.176 176.600 0.166 0.000 1.007 85 E CA 1.225 57.693 56.400 0.113 0.000 0.849 85 E CB -0.316 29.416 29.700 0.053 0.000 0.774 85 E HN 0.583 nan 8.360 nan 0.000 0.506 86 N N 0.617 119.431 118.700 0.191 0.000 2.373 86 N HA 0.028 4.768 4.740 -0.000 0.000 0.181 86 N C -0.100 175.491 175.510 0.135 0.000 1.082 86 N CA 0.417 53.571 53.050 0.172 0.000 0.885 86 N CB 0.347 38.944 38.487 0.183 0.000 0.977 86 N HN 0.224 nan 8.380 nan 0.000 0.462 87 E N 0.888 121.172 120.200 0.140 0.000 2.250 87 E HA 0.221 4.571 4.350 -0.000 0.000 0.265 87 E C -0.551 175.906 176.600 -0.238 0.000 1.033 87 E CA -0.371 55.951 56.400 -0.129 0.000 0.888 87 E CB 1.068 30.540 29.700 -0.380 0.000 1.151 87 E HN 0.013 nan 8.360 nan 0.000 0.412 88 D N 0.324 120.484 120.400 -0.401 0.000 2.229 88 D HA 0.384 5.023 4.640 -0.000 0.000 0.249 88 D C -0.619 175.214 176.300 -0.779 0.000 1.027 88 D CA -0.089 53.683 54.000 -0.380 0.000 0.923 88 D CB 0.629 41.256 40.800 -0.289 0.000 1.174 88 D HN 0.207 nan 8.370 nan 0.000 0.443 89 W N 0.316 121.527 121.300 -0.149 0.000 2.883 89 W HA 0.366 5.026 4.660 -0.000 0.000 0.335 89 W C -0.033 176.506 176.519 0.033 0.000 1.083 89 W CA -0.740 56.586 57.345 -0.031 0.000 1.233 89 W CB 1.438 30.977 29.460 0.131 0.000 1.412 89 W HN 0.064 nan 8.180 nan 0.000 0.490 90 E N 1.725 122.035 120.200 0.183 0.000 2.199 90 E HA 0.480 4.830 4.350 -0.000 0.000 0.269 90 E C -1.512 175.356 176.600 0.446 0.000 0.899 90 E CA -1.034 55.560 56.400 0.324 0.000 0.772 90 E CB 2.162 32.012 29.700 0.250 0.000 1.155 90 E HN 0.359 nan 8.360 nan 0.000 0.408 91 Y N 1.104 121.817 120.300 0.688 0.000 2.485 91 Y HA 0.503 5.053 4.550 -0.000 0.000 0.345 91 Y C 0.004 176.277 175.900 0.622 0.000 0.998 91 Y CA -0.929 57.635 58.100 0.773 0.000 1.059 91 Y CB 1.945 40.860 38.460 0.758 0.000 1.234 91 Y HN 0.451 nan 8.280 nan 0.000 0.461 92 R N 0.312 121.162 120.500 0.582 0.000 2.643 92 R HA 0.836 5.176 4.340 -0.000 0.000 0.269 92 R C -1.838 174.371 176.300 -0.150 0.000 1.037 92 R CA -0.813 55.224 56.100 -0.105 0.000 0.894 92 R CB 2.290 31.944 30.300 -1.077 0.000 1.238 92 R HN 0.622 nan 8.270 nan 0.000 0.459 93 T N 0.219 114.497 114.554 -0.459 0.000 2.843 93 T HA 0.552 4.902 4.350 -0.000 0.000 0.302 93 T C -1.357 173.188 174.700 -0.258 0.000 1.232 93 T CA -0.372 61.405 62.100 -0.538 0.000 1.009 93 T CB 1.729 69.803 68.868 -1.322 0.000 1.254 93 T HN 0.839 nan 8.240 nan 0.000 0.504 94 S N 1.754 117.350 115.700 -0.174 0.000 2.599 94 S HA 0.969 5.439 4.470 -0.000 0.000 0.294 94 S C -1.110 173.458 174.600 -0.053 0.000 1.094 94 S CA -0.782 57.303 58.200 -0.191 0.000 0.931 94 S CB 1.541 64.584 63.200 -0.262 0.000 1.093 94 S HN 0.960 nan 8.310 nan 0.000 0.488 95 F N -0.941 118.891 119.950 -0.197 0.000 2.693 95 F HA 0.724 5.250 4.527 -0.000 0.000 0.309 95 F C -1.629 174.115 175.800 -0.093 0.000 1.129 95 F CA -1.525 56.405 58.000 -0.116 0.000 0.948 95 F CB 0.824 39.778 39.000 -0.076 0.000 1.315 95 F HN 0.434 nan 8.300 nan 0.000 0.447 96 I N 3.241 123.886 120.570 0.126 0.000 2.385 96 I HA 0.542 4.712 4.170 -0.000 0.000 0.294 96 I C -0.436 175.772 176.117 0.153 0.000 0.988 96 I CA -0.985 60.339 61.300 0.039 0.000 1.265 96 I CB 1.358 39.367 38.000 0.016 0.000 1.388 96 I HN 0.518 nan 8.210 nan 0.000 0.480 97 V N 5.104 125.070 119.914 0.087 0.000 2.495 97 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 97 V C 0.409 176.509 176.094 0.011 0.000 1.031 97 V CA -0.580 61.785 62.300 0.108 0.000 0.871 97 V CB 2.005 33.961 31.823 0.221 0.000 0.988 97 V HN 0.948 nan 8.190 nan 0.000 0.432 98 S N 2.852 118.523 115.700 -0.049 0.000 2.669 98 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 98 S C 1.277 175.852 174.600 -0.043 0.000 1.225 98 S CA 0.295 58.462 58.200 -0.056 0.000 0.991 98 S CB 1.559 64.707 63.200 -0.088 0.000 0.987 98 S HN 0.974 nan 8.310 nan 0.000 0.552 99 E N 1.058 121.238 120.200 -0.033 0.000 2.085 99 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 99 E C 1.890 178.472 176.600 -0.030 0.000 0.994 99 E CA 1.679 58.066 56.400 -0.022 0.000 0.801 99 E CB -1.136 28.553 29.700 -0.019 0.000 0.743 99 E HN 0.883 nan 8.360 nan 0.000 0.453 100 E N 0.459 120.628 120.200 -0.051 0.000 2.106 100 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 100 E C 2.141 178.695 176.600 -0.077 0.000 0.984 100 E CA 1.331 57.697 56.400 -0.057 0.000 0.806 100 E CB -0.497 29.168 29.700 -0.060 0.000 0.750 100 E HN 0.706 nan 8.360 nan 0.000 0.458 101 Q N 0.658 120.370 119.800 -0.146 0.000 2.096 101 Q HA -0.015 4.325 4.340 -0.000 0.000 0.204 101 Q C 2.480 178.496 176.000 0.028 0.000 0.982 101 Q CA 1.113 56.776 55.803 -0.234 0.000 0.850 101 Q CB -0.167 28.216 28.738 -0.591 0.000 0.901 101 Q HN 0.261 nan 8.270 nan 0.000 0.422 102 L N 0.872 122.120 121.223 0.042 0.000 2.353 102 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 102 L C 1.321 178.218 176.870 0.045 0.000 1.133 102 L CA 0.428 55.315 54.840 0.079 0.000 0.798 102 L CB -0.200 41.890 42.059 0.053 0.000 0.922 102 L HN 0.277 nan 8.230 nan 0.000 0.445 103 N N -0.519 118.192 118.700 0.019 0.000 2.398 103 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 103 N C 0.384 175.893 175.510 -0.002 0.000 1.122 103 N CA 0.182 53.234 53.050 0.004 0.000 0.866 103 N CB 0.196 38.679 38.487 -0.006 0.000 0.970 103 N HN 0.111 nan 8.380 nan 0.000 0.462 104 R N 1.288 121.797 120.500 0.016 0.000 2.734 104 R HA 0.009 4.349 4.340 -0.000 0.000 0.266 104 R C 0.791 177.040 176.300 -0.085 0.000 1.044 104 R CA -0.027 56.066 56.100 -0.013 0.000 1.128 104 R CB 0.277 30.610 30.300 0.056 0.000 1.010 104 R HN 0.095 nan 8.270 nan 0.000 0.461 105 D N 0.355 120.661 120.400 -0.157 0.000 2.149 105 D HA -0.049 4.591 4.640 -0.000 0.000 0.198 105 D C 0.862 176.973 176.300 -0.315 0.000 0.990 105 D CA 1.501 55.384 54.000 -0.196 0.000 0.839 105 D CB 0.160 40.851 40.800 -0.182 0.000 0.948 105 D HN 0.642 nan 8.370 nan 0.000 0.460 106 G N -0.533 107.896 108.800 -0.619 0.000 2.667 106 G HA2 0.620 4.580 3.960 -0.000 0.000 0.298 106 G HA3 0.620 4.580 3.960 -0.000 0.000 0.298 106 G C -1.232 173.355 174.900 -0.522 0.000 1.377 106 G CA -0.597 44.060 45.100 -0.738 0.000 0.964 106 G HN 0.013 nan 8.290 nan 0.000 0.493 107 I N 0.785 121.259 120.570 -0.159 0.000 2.512 107 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 107 I C -0.628 175.465 176.117 -0.040 0.000 1.069 107 I CA -0.620 60.602 61.300 -0.130 0.000 1.056 107 I CB 2.443 40.334 38.000 -0.181 0.000 1.229 107 I HN 0.330 nan 8.210 nan 0.000 0.429 108 Q N 4.679 124.450 119.800 -0.048 0.000 2.342 108 Q HA 0.638 4.978 4.340 -0.000 0.000 0.267 108 Q C -1.355 174.565 176.000 -0.133 0.000 1.038 108 Q CA -0.980 54.807 55.803 -0.027 0.000 0.832 108 Q CB 3.476 32.217 28.738 0.005 0.000 1.323 108 Q HN 0.436 nan 8.270 nan 0.000 0.448 109 L N 3.294 124.463 121.223 -0.090 0.000 2.305 109 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 109 L C -1.573 175.207 176.870 -0.149 0.000 1.013 109 L CA -0.112 54.628 54.840 -0.166 0.000 0.819 109 L CB 0.989 42.985 42.059 -0.105 0.000 1.227 109 L HN 0.560 nan 8.230 nan 0.000 0.417 110 I N 5.372 125.796 120.570 -0.243 0.000 2.378 110 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 110 I C -1.062 174.903 176.117 -0.253 0.000 0.992 110 I CA -0.222 60.999 61.300 -0.132 0.000 1.154 110 I CB 1.350 39.301 38.000 -0.082 0.000 1.315 110 I HN 0.434 nan 8.210 nan 0.000 0.448 111 F N 4.672 124.670 119.950 0.080 0.000 2.375 111 F HA 0.321 4.848 4.527 0.000 0.000 0.361 111 F C 1.329 177.151 175.800 0.037 0.000 1.117 111 F CA -0.425 57.626 58.000 0.086 0.000 1.037 111 F CB 1.254 40.351 39.000 0.161 0.000 1.192 111 F HN 0.509 nan 8.300 nan 0.000 0.452 112 E N 2.114 122.372 120.200 0.098 0.000 2.347 112 E HA 0.148 4.498 4.350 -0.000 0.000 0.196 112 E C 0.738 177.278 176.600 -0.099 0.000 1.008 112 E CA 0.258 56.654 56.400 -0.007 0.000 0.852 112 E CB 0.305 29.966 29.700 -0.065 0.000 0.783 112 E HN 0.728 nan 8.360 nan 0.000 0.505 113 G N 0.517 109.288 108.800 -0.047 0.000 2.657 113 G HA2 0.440 4.400 3.960 -0.000 0.000 0.303 113 G HA3 0.440 4.400 3.960 -0.000 0.000 0.303 113 G C -1.584 173.491 174.900 0.292 0.000 1.457 113 G CA -0.822 44.265 45.100 -0.022 0.000 0.982 113 G HN -0.034 nan 8.290 nan 0.000 0.583 114 L N 2.126 123.638 121.223 0.481 0.000 2.376 114 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 114 L C -1.204 175.883 176.870 0.363 0.000 0.987 114 L CA -0.888 54.208 54.840 0.427 0.000 0.828 114 L CB 2.495 44.654 42.059 0.166 0.000 1.249 114 L HN 0.506 nan 8.230 nan 0.000 0.409 115 D N 1.670 122.243 120.400 0.288 0.000 2.473 115 D HA 0.373 5.013 4.640 -0.000 0.000 0.226 115 D C 0.087 176.445 176.300 0.097 0.000 1.089 115 D CA -0.049 53.924 54.000 -0.045 0.000 0.883 115 D CB 1.340 41.950 40.800 -0.316 0.000 1.029 115 D HN 0.525 nan 8.370 nan 0.000 0.517 116 T N 2.075 116.727 114.554 0.164 0.000 3.507 116 T HA 0.055 4.405 4.350 -0.000 0.000 0.280 116 T C -0.129 174.501 174.700 -0.116 0.000 0.976 116 T CA 0.060 62.104 62.100 -0.094 0.000 1.096 116 T CB -0.070 68.574 68.868 -0.372 0.000 1.168 116 T HN 0.200 nan 8.240 nan 0.000 0.463 117 Y N 2.852 123.284 120.300 0.219 0.000 2.636 117 Y HA 0.689 5.239 4.550 0.000 0.000 0.341 117 Y C 0.267 176.316 175.900 0.247 0.000 1.169 117 Y CA -1.181 57.037 58.100 0.196 0.000 1.498 117 Y CB -0.047 38.536 38.460 0.205 0.000 1.362 117 Y HN 0.219 nan 8.280 nan 0.000 0.494 118 A N 2.335 125.223 122.820 0.112 0.000 2.330 118 A HA 0.597 4.917 4.320 -0.000 0.000 0.313 118 A C -1.006 176.477 177.584 -0.168 0.000 1.124 118 A CA -0.908 50.995 52.037 -0.223 0.000 0.774 118 A CB 0.669 19.296 19.000 -0.622 0.000 1.198 118 A HN 0.455 nan 8.150 nan 0.000 0.465 119 D N 2.091 122.443 120.400 -0.079 0.000 2.329 119 D HA 0.409 5.049 4.640 -0.000 0.000 0.232 119 D C -0.535 175.560 176.300 -0.343 0.000 1.088 119 D CA 0.108 53.999 54.000 -0.182 0.000 0.835 119 D CB 1.723 42.529 40.800 0.010 0.000 1.078 119 D HN 0.152 nan 8.370 nan 0.000 0.495 120 V N 3.832 123.469 119.914 -0.462 0.000 2.350 120 V HA 0.257 4.377 4.120 -0.000 0.000 0.276 120 V C -0.694 175.199 176.094 -0.335 0.000 1.028 120 V CA -0.596 61.528 62.300 -0.293 0.000 0.860 120 V CB 0.191 31.844 31.823 -0.284 0.000 0.990 120 V HN 0.349 nan 8.190 nan 0.000 0.453 121 Y N 5.158 125.557 120.300 0.166 0.000 2.364 121 Y HA 0.712 5.262 4.550 -0.000 0.000 0.340 121 Y C -0.302 175.728 175.900 0.218 0.000 0.975 121 Y CA -0.947 57.250 58.100 0.162 0.000 1.089 121 Y CB 1.911 40.459 38.460 0.146 0.000 1.192 121 Y HN 0.510 nan 8.280 nan 0.000 0.454 122 L N 4.652 126.062 121.223 0.313 0.000 2.376 122 L HA 0.535 4.875 4.340 -0.000 0.000 0.275 122 L C -0.441 176.550 176.870 0.202 0.000 0.987 122 L CA -0.651 54.354 54.840 0.275 0.000 0.828 122 L CB 1.045 43.256 42.059 0.253 0.000 1.249 122 L HN 0.732 nan 8.230 nan 0.000 0.409 123 N N 4.232 123.039 118.700 0.178 0.000 2.721 123 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 123 N C 0.963 176.527 175.510 0.090 0.000 1.072 123 N CA 1.441 54.559 53.050 0.113 0.000 0.710 123 N CB -1.276 37.257 38.487 0.077 0.000 0.993 123 N HN 1.305 nan 8.380 nan 0.000 0.547 124 G N -1.953 106.905 108.800 0.097 0.000 2.176 124 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 124 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 124 G C 0.013 174.988 174.900 0.124 0.000 0.979 124 G CA 0.640 45.780 45.100 0.067 0.000 0.641 124 G HN 0.929 nan 8.290 nan 0.000 0.530 125 S N -0.223 115.574 115.700 0.162 0.000 2.462 125 S HA 0.653 5.123 4.470 -0.000 0.000 0.294 125 S C 0.060 174.776 174.600 0.194 0.000 1.144 125 S CA -0.573 57.716 58.200 0.148 0.000 1.088 125 S CB 1.142 64.406 63.200 0.106 0.000 1.009 125 S HN 1.234 nan 8.310 nan 0.000 0.484 126 L N 7.220 128.530 121.223 0.145 0.000 2.342 126 L HA 0.372 4.712 4.340 -0.000 0.000 0.285 126 L C 0.545 177.370 176.870 -0.075 0.000 1.095 126 L CA 0.314 55.122 54.840 -0.054 0.000 0.843 126 L CB -0.073 41.954 42.059 -0.054 0.000 1.201 126 L HN 0.854 nan 8.230 nan 0.000 0.445 127 L N 4.763 125.926 121.223 -0.100 0.000 2.179 127 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 127 L C -0.024 176.792 176.870 -0.090 0.000 1.096 127 L CA 0.375 55.190 54.840 -0.041 0.000 0.779 127 L CB -0.108 41.971 42.059 0.032 0.000 0.922 127 L HN 0.589 nan 8.230 nan 0.000 0.443 128 L N -0.636 120.474 121.223 -0.188 0.000 2.703 128 L HA 0.295 4.635 4.340 -0.000 0.000 0.257 128 L C -1.520 175.175 176.870 -0.291 0.000 0.923 128 L CA -0.438 54.258 54.840 -0.242 0.000 0.936 128 L CB 1.590 43.448 42.059 -0.336 0.000 1.482 128 L HN -0.115 nan 8.230 nan 0.000 0.432 129 K N 4.334 124.598 120.400 -0.225 0.000 2.419 129 K HA 0.766 5.086 4.320 -0.000 0.000 0.244 129 K C -0.303 176.188 176.600 -0.181 0.000 1.045 129 K CA -0.397 55.789 56.287 -0.168 0.000 1.004 129 K CB 1.425 33.877 32.500 -0.080 0.000 1.376 129 K HN 0.721 nan 8.250 nan 0.000 0.460 130 A N 2.390 125.035 122.820 -0.291 0.000 2.407 130 A HA 0.149 4.469 4.320 -0.000 0.000 0.248 130 A C 0.257 177.811 177.584 -0.051 0.000 1.082 130 A CA -0.030 51.808 52.037 -0.331 0.000 0.785 130 A CB 0.186 18.900 19.000 -0.478 0.000 1.020 130 A HN 0.826 nan 8.150 nan 0.000 0.489 131 D N -0.199 120.219 120.400 0.030 0.000 2.783 131 D HA 0.088 4.728 4.640 -0.000 0.000 0.306 131 D C -0.776 175.457 176.300 -0.110 0.000 1.633 131 D CA -0.285 53.683 54.000 -0.053 0.000 0.796 131 D CB -0.468 40.416 40.800 0.141 0.000 1.230 131 D HN 0.276 nan 8.370 nan 0.000 0.441 132 N N 1.041 119.718 118.700 -0.039 0.000 2.616 132 N HA 0.129 4.869 4.740 -0.000 0.000 0.281 132 N C 0.271 175.711 175.510 -0.117 0.000 1.145 132 N CA -0.288 52.707 53.050 -0.092 0.000 0.919 132 N CB 1.685 40.166 38.487 -0.011 0.000 1.509 132 N HN 0.054 nan 8.380 nan 0.000 0.537 133 M N 2.639 122.014 119.600 -0.374 0.000 2.279 133 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 133 M C -0.036 176.242 176.300 -0.036 0.000 1.062 133 M CA 1.748 56.837 55.300 -0.352 0.000 1.099 133 M CB 0.012 32.091 32.600 -0.868 0.000 1.394 133 M HN 0.384 nan 8.290 nan 0.000 0.426 134 F N -0.329 119.745 119.950 0.206 0.000 2.797 134 F HA 0.241 4.768 4.527 -0.000 0.000 0.302 134 F C 0.264 176.085 175.800 0.035 0.000 1.130 134 F CA -0.277 57.893 58.000 0.284 0.000 1.387 134 F CB -0.633 38.579 39.000 0.354 0.000 1.107 134 F HN -0.203 nan 8.300 nan 0.000 0.577 135 V N -0.136 119.702 119.914 -0.127 0.000 2.513 135 V HA 0.688 4.808 4.120 -0.000 0.000 0.299 135 V C 0.586 176.016 176.094 -1.107 0.000 1.035 135 V CA -1.112 60.714 62.300 -0.789 0.000 0.889 135 V CB 1.335 32.724 31.823 -0.723 0.000 0.988 135 V HN 0.183 nan 8.190 nan 0.000 0.440 136 G N 3.089 110.778 108.800 -1.851 0.000 2.395 136 G HA2 0.537 4.497 3.960 -0.000 0.000 0.283 136 G HA3 0.537 4.497 3.960 -0.000 0.000 0.283 136 G C -1.427 173.044 174.900 -0.716 0.000 1.178 136 G CA -0.098 44.456 45.100 -0.910 0.000 0.837 136 G HN 0.519 nan 8.290 nan 0.000 0.518 137 Y N -0.030 120.224 120.300 -0.077 0.000 2.409 137 Y HA 0.525 5.075 4.550 -0.000 0.000 0.343 137 Y C 0.534 176.480 175.900 0.076 0.000 0.973 137 Y CA -0.664 57.441 58.100 0.008 0.000 1.064 137 Y CB 2.806 41.304 38.460 0.064 0.000 1.207 137 Y HN 0.406 nan 8.280 nan 0.000 0.452 138 T N 5.141 119.813 114.554 0.198 0.000 2.809 138 T HA 0.605 4.955 4.350 -0.000 0.000 0.284 138 T C -0.845 173.928 174.700 0.123 0.000 0.992 138 T CA -0.624 61.549 62.100 0.122 0.000 0.957 138 T CB 0.289 69.195 68.868 0.064 0.000 0.942 138 T HN 0.370 nan 8.240 nan 0.000 0.439 139 L N 5.901 127.191 121.223 0.112 0.000 2.349 139 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 139 L C -2.247 174.668 176.870 0.074 0.000 0.996 139 L CA -2.460 52.444 54.840 0.107 0.000 0.825 139 L CB 2.098 44.244 42.059 0.144 0.000 1.243 139 L HN 0.335 nan 8.230 nan 0.000 0.412 140 P HA 0.055 nan 4.420 nan 0.000 0.276 140 P C 0.194 177.528 177.300 0.057 0.000 1.243 140 P CA -0.072 63.067 63.100 0.066 0.000 0.768 140 P CB 1.628 33.368 31.700 0.067 0.000 0.856 141 V N 0.536 120.476 119.914 0.043 0.000 3.392 141 V HA 0.181 4.301 4.120 -0.000 0.000 0.294 141 V C 1.940 178.064 176.094 0.050 0.000 1.561 141 V CA 0.084 62.416 62.300 0.054 0.000 1.056 141 V CB -0.414 31.450 31.823 0.069 0.000 0.882 141 V HN 0.342 nan 8.190 nan 0.000 0.440 142 K N 2.601 123.019 120.400 0.029 0.000 2.074 142 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 142 K C 2.133 178.761 176.600 0.045 0.000 1.048 142 K CA 2.473 58.780 56.287 0.033 0.000 0.926 142 K CB -0.190 32.312 32.500 0.003 0.000 0.713 142 K HN 0.756 nan 8.250 nan 0.000 0.444 143 S N -0.174 115.550 115.700 0.038 0.000 2.561 143 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 143 S C 1.694 176.320 174.600 0.045 0.000 0.977 143 S CA 0.605 58.827 58.200 0.037 0.000 0.926 143 S CB 0.193 63.411 63.200 0.030 0.000 0.769 143 S HN 0.291 nan 8.310 nan 0.000 0.533 144 V N -1.530 118.419 119.914 0.058 0.000 3.644 144 V HA 0.473 4.593 4.120 -0.000 0.000 0.267 144 V C 0.616 176.752 176.094 0.069 0.000 1.277 144 V CA -0.331 62.008 62.300 0.065 0.000 1.096 144 V CB -0.664 31.207 31.823 0.080 0.000 0.828 144 V HN 0.393 nan 8.190 nan 0.000 0.446 145 L N 1.666 122.937 121.223 0.080 0.000 2.464 145 L HA 0.456 4.795 4.340 -0.000 0.000 0.264 145 L C 0.524 177.424 176.870 0.049 0.000 1.199 145 L CA 0.018 54.910 54.840 0.086 0.000 0.818 145 L CB 0.648 42.796 42.059 0.148 0.000 1.102 145 L HN 0.277 nan 8.230 nan 0.000 0.473 146 R N 1.200 121.709 120.500 0.015 0.000 2.740 146 R HA 0.354 4.694 4.340 -0.000 0.000 0.282 146 R C -0.871 175.425 176.300 -0.007 0.000 0.969 146 R CA -1.090 55.009 56.100 -0.002 0.000 0.918 146 R CB 2.000 32.285 30.300 -0.024 0.000 1.175 146 R HN 0.395 nan 8.270 nan 0.000 0.464 147 K N 1.215 121.614 120.400 -0.002 0.000 2.401 147 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 147 K C 0.393 176.975 176.600 -0.031 0.000 1.018 147 K CA 1.199 57.481 56.287 -0.008 0.000 0.981 147 K CB 0.376 32.873 32.500 -0.005 0.000 0.933 147 K HN 0.753 nan 8.250 nan 0.000 0.477 148 G N 2.740 111.517 108.800 -0.039 0.000 2.484 148 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.225 148 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.225 148 G C -0.900 173.925 174.900 -0.126 0.000 1.250 148 G CA -0.455 44.608 45.100 -0.062 0.000 0.926 148 G HN 0.702 nan 8.290 nan 0.000 0.581 149 E N 1.469 121.572 120.200 -0.161 0.000 2.415 149 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 149 E C 0.023 176.345 176.600 -0.463 0.000 0.995 149 E CA 0.288 56.501 56.400 -0.311 0.000 0.915 149 E CB 0.122 29.675 29.700 -0.245 0.000 0.951 149 E HN 0.399 nan 8.360 nan 0.000 0.449 150 N N 2.201 120.429 118.700 -0.785 0.000 2.240 150 N HA 0.294 5.034 4.740 -0.000 0.000 0.302 150 N C -1.058 173.871 175.510 -0.968 0.000 1.106 150 N CA -0.582 51.943 53.050 -0.875 0.000 0.778 150 N CB 1.570 39.325 38.487 -1.220 0.000 1.431 150 N HN 0.397 nan 8.380 nan 0.000 0.479 151 H N 1.520 120.450 119.070 -0.234 0.000 2.646 151 H HA 0.292 4.848 4.556 0.000 0.000 0.328 151 H C -0.782 174.631 175.328 0.141 0.000 0.998 151 H CA -0.557 55.473 56.048 -0.031 0.000 1.225 151 H CB 2.295 32.105 29.762 0.081 0.000 1.457 151 H HN 0.310 nan 8.280 nan 0.000 0.505 152 L N 4.544 125.928 121.223 0.268 0.000 2.287 152 L HA 0.352 4.692 4.340 -0.000 0.000 0.287 152 L C -1.479 175.621 176.870 0.383 0.000 1.022 152 L CA -0.416 54.639 54.840 0.359 0.000 0.814 152 L CB 0.482 42.740 42.059 0.331 0.000 1.217 152 L HN 0.463 nan 8.230 nan 0.000 0.420 153 Y N 5.061 125.568 120.300 0.346 0.000 2.425 153 Y HA 0.661 5.211 4.550 -0.000 0.000 0.344 153 Y C -0.347 175.840 175.900 0.478 0.000 0.969 153 Y CA -0.741 57.602 58.100 0.405 0.000 1.052 153 Y CB 2.069 40.725 38.460 0.327 0.000 1.215 153 Y HN 0.390 nan 8.280 nan 0.000 0.451 154 I N 3.553 124.497 120.570 0.622 0.000 2.499 154 I HA 0.200 4.370 4.170 -0.000 0.000 0.288 154 I C -1.508 174.826 176.117 0.361 0.000 1.048 154 I CA -0.967 60.554 61.300 0.369 0.000 1.062 154 I CB 2.061 40.169 38.000 0.179 0.000 1.238 154 I HN 0.550 nan 8.210 nan 0.000 0.426 155 Y N 6.409 126.774 120.300 0.108 0.000 2.417 155 Y HA 0.471 5.020 4.550 -0.000 0.000 0.336 155 Y C -0.950 174.863 175.900 -0.145 0.000 0.961 155 Y CA -0.568 57.586 58.100 0.089 0.000 1.215 155 Y CB 0.710 39.232 38.460 0.104 0.000 1.120 155 Y HN 0.338 nan 8.280 nan 0.000 0.499 156 F N 5.403 125.376 119.950 0.039 0.000 2.404 156 F HA 0.219 4.746 4.527 -0.000 0.000 0.359 156 F C 0.527 176.350 175.800 0.038 0.000 1.134 156 F CA -0.462 57.614 58.000 0.127 0.000 1.160 156 F CB 0.151 39.274 39.000 0.205 0.000 1.186 156 F HN 0.427 nan 8.300 nan 0.000 0.526 157 H N 1.413 120.760 119.070 0.462 0.000 2.803 157 H HA -0.013 4.543 4.556 -0.000 0.000 0.330 157 H C 0.584 176.121 175.328 0.347 0.000 1.057 157 H CA -0.265 56.020 56.048 0.395 0.000 1.458 157 H CB 1.227 31.185 29.762 0.326 0.000 1.470 157 H HN 0.532 nan 8.280 nan 0.000 0.560 158 S N 5.010 120.922 115.700 0.354 0.000 2.673 158 S HA -0.046 4.424 4.470 -0.000 0.000 0.308 158 S C -1.114 173.657 174.600 0.286 0.000 1.246 158 S CA -1.135 57.237 58.200 0.286 0.000 1.077 158 S CB 0.440 63.760 63.200 0.200 0.000 0.814 158 S HN 0.548 nan 8.310 nan 0.000 0.503 159 P HA -0.058 nan 4.420 nan 0.000 0.226 159 P C 1.385 178.836 177.300 0.252 0.000 1.153 159 P CA 0.488 63.823 63.100 0.391 0.000 0.777 159 P CB 0.012 31.936 31.700 0.373 0.000 0.794 160 I N 1.651 122.326 120.570 0.174 0.000 2.141 160 I HA -0.155 4.015 4.170 -0.000 0.000 0.236 160 I C 2.816 178.974 176.117 0.067 0.000 1.071 160 I CA 1.579 62.942 61.300 0.106 0.000 1.345 160 I CB -1.703 36.343 38.000 0.076 0.000 1.066 160 I HN 0.050 nan 8.210 nan 0.000 0.406 161 R N 1.398 121.947 120.500 0.082 0.000 2.152 161 R HA -0.214 4.126 4.340 -0.000 0.000 0.232 161 R C 2.050 178.359 176.300 0.016 0.000 1.117 161 R CA 1.508 57.644 56.100 0.060 0.000 0.981 161 R CB -0.742 29.609 30.300 0.085 0.000 0.870 161 R HN 0.313 nan 8.270 nan 0.000 0.451 162 Q N 1.141 120.937 119.800 -0.008 0.000 2.170 162 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 162 Q C 1.377 177.259 176.000 -0.196 0.000 0.976 162 Q CA 2.285 57.987 55.803 -0.169 0.000 0.858 162 Q CB 0.015 28.504 28.738 -0.415 0.000 0.907 162 Q HN 0.611 nan 8.270 nan 0.000 0.433 163 T N -2.854 111.639 114.554 -0.102 0.000 3.069 163 T HA 0.224 4.574 4.350 -0.000 0.000 0.252 163 T C 1.547 176.185 174.700 -0.104 0.000 1.053 163 T CA -0.158 61.876 62.100 -0.110 0.000 0.964 163 T CB -0.030 68.862 68.868 0.041 0.000 1.005 163 T HN 0.180 nan 8.240 nan 0.000 0.532 164 L N 1.351 122.549 121.223 -0.041 0.000 2.012 164 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 164 L C -0.232 176.641 176.870 0.004 0.000 1.073 164 L CA 1.526 56.375 54.840 0.015 0.000 0.748 164 L CB -1.480 40.598 42.059 0.030 0.000 0.891 164 L HN 0.233 nan 8.230 nan 0.000 0.431 165 P HA -0.209 nan 4.420 nan 0.000 0.216 165 P C 1.479 178.684 177.300 -0.158 0.000 1.153 165 P CA 1.346 64.394 63.100 -0.085 0.000 0.848 165 P CB 0.006 31.653 31.700 -0.087 0.000 0.787 166 Q N -1.175 118.474 119.800 -0.251 0.000 2.061 166 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 166 Q C 2.339 177.995 176.000 -0.573 0.000 0.984 166 Q CA 1.481 57.019 55.803 -0.441 0.000 0.846 166 Q CB -0.653 27.713 28.738 -0.620 0.000 0.902 166 Q HN 0.125 nan 8.270 nan 0.000 0.421 167 Y N 0.255 120.173 120.300 -0.637 0.000 2.097 167 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 167 Y C 2.060 177.853 175.900 -0.178 0.000 1.152 167 Y CA 1.730 59.610 58.100 -0.366 0.000 1.136 167 Y CB -0.758 37.624 38.460 -0.130 0.000 0.975 167 Y HN 0.202 nan 8.280 nan 0.000 0.498 168 A N -0.164 122.528 122.820 -0.212 0.000 1.948 168 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 168 A C 2.450 179.897 177.584 -0.229 0.000 1.177 168 A CA 2.623 54.528 52.037 -0.221 0.000 0.636 168 A CB -1.465 17.491 19.000 -0.073 0.000 0.815 168 A HN 0.650 nan 8.150 nan 0.000 0.449 169 S N -0.554 115.020 115.700 -0.210 0.000 2.481 169 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 169 S C 1.602 176.098 174.600 -0.173 0.000 0.996 169 S CA 1.211 59.313 58.200 -0.163 0.000 0.942 169 S CB -0.518 62.600 63.200 -0.136 0.000 0.768 169 S HN 0.583 nan 8.310 nan 0.000 0.520 170 N N 1.634 120.176 118.700 -0.263 0.000 2.250 170 N HA 0.118 4.858 4.740 -0.000 0.000 0.181 170 N C 1.355 176.713 175.510 -0.253 0.000 1.017 170 N CA 1.282 54.169 53.050 -0.272 0.000 0.866 170 N CB -0.535 37.765 38.487 -0.312 0.000 0.985 170 N HN 0.622 nan 8.380 nan 0.000 0.429 171 G N -0.929 107.728 108.800 -0.238 0.000 2.153 171 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 171 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 171 G C -0.082 174.888 174.900 0.116 0.000 0.994 171 G CA 0.884 45.945 45.100 -0.064 0.000 0.698 171 G HN 0.615 nan 8.290 nan 0.000 0.521 172 F N -2.827 117.065 119.950 -0.096 0.000 2.770 172 F HA 0.701 5.228 4.527 -0.000 0.000 0.313 172 F C -1.139 174.683 175.800 0.038 0.000 1.154 172 F CA -1.778 56.212 58.000 -0.017 0.000 0.923 172 F CB 0.680 39.691 39.000 0.018 0.000 1.301 172 F HN 0.032 nan 8.300 nan 0.000 0.449 173 N N 1.071 120.008 118.700 0.394 0.000 2.424 173 N HA 0.323 5.063 4.740 -0.000 0.000 0.271 173 N C -1.512 174.291 175.510 0.488 0.000 0.985 173 N CA -0.521 52.789 53.050 0.435 0.000 0.921 173 N CB 0.563 39.267 38.487 0.361 0.000 1.149 173 N HN 0.649 nan 8.380 nan 0.000 0.492 174 Y N 3.135 123.609 120.300 0.290 0.000 2.597 174 Y HA 0.107 4.657 4.550 0.000 0.000 0.336 174 Y C -1.165 174.872 175.900 0.228 0.000 1.216 174 Y CA -0.955 57.240 58.100 0.158 0.000 1.463 174 Y CB 0.651 39.028 38.460 -0.139 0.000 1.303 174 Y HN 0.481 nan 8.280 nan 0.000 0.576 175 P HA 0.113 nan 4.420 nan 0.000 0.218 175 P C -0.862 176.437 177.300 -0.002 0.000 1.793 175 P CA 0.041 63.197 63.100 0.094 0.000 0.941 175 P CB -0.391 31.108 31.700 -0.335 0.000 1.919 176 A N 1.732 124.454 122.820 -0.163 0.000 2.922 176 A HA 0.163 4.483 4.320 -0.000 0.000 0.298 176 A C 1.143 178.335 177.584 -0.653 0.000 1.588 176 A CA -0.361 51.456 52.037 -0.366 0.000 1.288 176 A CB -0.358 18.421 19.000 -0.369 0.000 1.130 176 A HN 0.124 nan 8.150 nan 0.000 0.557 177 D N 1.040 121.250 120.400 -0.317 0.000 2.218 177 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 177 D C 0.970 177.113 176.300 -0.262 0.000 0.976 177 D CA 0.974 54.829 54.000 -0.241 0.000 0.853 177 D CB 0.105 40.853 40.800 -0.087 0.000 0.939 177 D HN 0.538 nan 8.370 nan 0.000 0.481 178 N N 1.026 119.443 118.700 -0.472 0.000 2.515 178 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 178 N C 0.205 175.417 175.510 -0.497 0.000 1.109 178 N CA 0.353 53.000 53.050 -0.672 0.000 0.903 178 N CB 0.164 37.649 38.487 -1.671 0.000 0.969 178 N HN 0.152 nan 8.380 nan 0.000 0.450 179 D N 0.849 121.063 120.400 -0.310 0.000 2.352 179 D HA 0.006 4.646 4.640 -0.000 0.000 0.245 179 D C -0.378 176.017 176.300 0.159 0.000 1.224 179 D CA -0.128 53.814 54.000 -0.097 0.000 0.879 179 D CB -0.144 40.568 40.800 -0.147 0.000 1.057 179 D HN 0.253 nan 8.370 nan 0.000 0.491 180 H N 4.320 123.455 119.070 0.109 0.000 2.799 180 H HA 0.133 4.689 4.556 0.000 0.000 0.225 180 H C -0.048 175.394 175.328 0.189 0.000 1.904 180 H CA -0.246 55.861 56.048 0.098 0.000 1.344 180 H CB 0.070 29.845 29.762 0.021 0.000 1.744 180 H HN 0.330 nan 8.280 nan 0.000 0.542 181 H N 0.040 119.252 119.070 0.236 0.000 3.068 181 H HA 0.069 4.625 4.556 -0.000 0.000 0.342 181 H C 0.712 176.085 175.328 0.076 0.000 1.284 181 H CA 0.425 56.556 56.048 0.140 0.000 1.181 181 H CB 1.159 31.004 29.762 0.139 0.000 1.898 181 H HN 0.532 nan 8.280 nan 0.000 0.540 182 E N 3.229 123.425 120.200 -0.007 0.000 2.097 182 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 182 E C 0.120 176.667 176.600 -0.088 0.000 1.000 182 E CA 1.478 57.869 56.400 -0.016 0.000 0.804 182 E CB -0.142 29.520 29.700 -0.062 0.000 0.740 182 E HN 0.498 nan 8.360 nan 0.000 0.454 183 K N 0.145 120.617 120.400 0.121 0.000 2.235 183 K HA 0.444 4.764 4.320 -0.000 0.000 0.266 183 K C -1.165 175.266 176.600 -0.282 0.000 0.980 183 K CA -0.464 55.591 56.287 -0.387 0.000 0.849 183 K CB 1.293 33.371 32.500 -0.704 0.000 1.098 183 K HN 0.458 nan 8.250 nan 0.000 0.445 184 H N 3.663 122.663 119.070 -0.117 0.000 2.882 184 H HA 0.103 4.659 4.556 -0.000 0.000 0.258 184 H C 0.714 175.972 175.328 -0.116 0.000 1.579 184 H CA -0.359 55.645 56.048 -0.074 0.000 1.340 184 H CB 0.141 29.902 29.762 -0.001 0.000 1.645 184 H HN 0.372 nan 8.280 nan 0.000 0.541 185 L N 0.954 122.152 121.223 -0.042 0.000 2.418 185 L HA -0.085 4.255 4.340 -0.000 0.000 0.218 185 L C 2.392 179.201 176.870 -0.102 0.000 1.125 185 L CA 0.396 55.284 54.840 0.079 0.000 0.835 185 L CB -0.163 41.935 42.059 0.065 0.000 0.953 185 L HN 0.561 nan 8.230 nan 0.000 0.454 186 S N 0.625 115.967 115.700 -0.597 0.000 2.387 186 S HA -0.200 4.270 4.470 -0.000 0.000 0.230 186 S C 1.960 176.340 174.600 -0.368 0.000 1.035 186 S CA 1.475 59.055 58.200 -1.033 0.000 1.014 186 S CB -1.193 61.277 63.200 -1.216 0.000 0.836 186 S HN 0.368 nan 8.310 nan 0.000 0.466 187 V N -1.935 117.707 119.914 -0.453 0.000 2.759 187 V HA 0.058 4.178 4.120 -0.000 0.000 0.256 187 V C 1.980 177.792 176.094 -0.470 0.000 1.080 187 V CA 1.188 63.154 62.300 -0.556 0.000 1.101 187 V CB -1.495 29.646 31.823 -1.137 0.000 0.698 187 V HN 0.377 nan 8.190 nan 0.000 0.477 188 F N 1.143 121.043 119.950 -0.084 0.000 2.558 188 F HA 0.286 4.813 4.527 -0.000 0.000 0.298 188 F C 1.437 177.411 175.800 0.290 0.000 1.119 188 F CA 0.378 58.394 58.000 0.027 0.000 1.451 188 F CB -0.315 38.704 39.000 0.031 0.000 1.091 188 F HN 0.093 nan 8.300 nan 0.000 0.563 189 S N 0.536 116.490 115.700 0.423 0.000 2.472 189 S HA 0.430 4.900 4.470 -0.000 0.000 0.303 189 S C 0.062 174.845 174.600 0.307 0.000 1.099 189 S CA -0.831 57.615 58.200 0.411 0.000 1.077 189 S CB 1.218 64.666 63.200 0.414 0.000 1.031 189 S HN -0.080 nan 8.310 nan 0.000 0.487 190 R N 3.222 123.833 120.500 0.185 0.000 2.893 190 R HA 0.292 4.632 4.340 -0.000 0.000 0.243 190 R C -0.089 176.057 176.300 -0.256 0.000 1.481 190 R CA 0.020 56.179 56.100 0.098 0.000 1.250 190 R CB -0.898 29.454 30.300 0.087 0.000 1.213 190 R HN 0.543 nan 8.270 nan 0.000 0.609 191 K N -0.196 120.123 120.400 -0.134 0.000 2.527 191 K HA 0.442 4.762 4.320 -0.000 0.000 0.260 191 K C -1.022 175.626 176.600 0.081 0.000 0.937 191 K CA -0.704 55.410 56.287 -0.289 0.000 0.826 191 K CB 2.024 34.498 32.500 -0.043 0.000 1.359 191 K HN 0.363 nan 8.250 nan 0.000 0.434 192 A N 4.994 127.845 122.820 0.051 0.000 2.558 192 A HA 0.064 4.384 4.320 -0.000 0.000 0.262 192 A C -1.921 175.861 177.584 0.330 0.000 1.049 192 A CA -0.541 51.691 52.037 0.325 0.000 0.804 192 A CB -0.464 18.701 19.000 0.274 0.000 0.957 192 A HN 0.625 nan 8.150 nan 0.000 0.520 193 P HA -0.253 nan 4.420 nan 0.000 0.216 193 P C 1.302 178.852 177.300 0.416 0.000 1.157 193 P CA 2.158 65.454 63.100 0.327 0.000 0.880 193 P CB -0.180 31.631 31.700 0.184 0.000 0.791 194 Y N -0.560 119.827 120.300 0.146 0.000 2.483 194 Y HA -0.130 4.420 4.550 -0.000 0.000 0.291 194 Y C 2.039 178.008 175.900 0.115 0.000 1.143 194 Y CA 1.034 59.236 58.100 0.171 0.000 1.289 194 Y CB -1.489 37.090 38.460 0.199 0.000 0.983 194 Y HN -0.024 nan 8.280 nan 0.000 0.556 195 S N -0.612 114.760 115.700 -0.545 0.000 2.447 195 S HA -0.220 4.250 4.470 -0.000 0.000 0.233 195 S C 1.180 175.516 174.600 -0.441 0.000 1.006 195 S CA 0.849 58.610 58.200 -0.732 0.000 0.957 195 S CB -1.206 61.601 63.200 -0.655 0.000 0.773 195 S HN 0.664 nan 8.310 nan 0.000 0.507 196 Y N 2.741 122.922 120.300 -0.198 0.000 2.502 196 Y HA 0.415 4.965 4.550 -0.000 0.000 0.295 196 Y C 1.516 177.290 175.900 -0.210 0.000 1.193 196 Y CA 0.193 58.215 58.100 -0.129 0.000 1.295 196 Y CB -0.358 38.077 38.460 -0.042 0.000 1.059 196 Y HN 0.584 nan 8.280 nan 0.000 0.514 197 G N -0.789 107.911 108.800 -0.166 0.000 2.587 197 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.686 197 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.686 197 G C -1.244 173.450 174.900 -0.342 0.000 1.236 197 G CA -0.778 44.061 45.100 -0.435 0.000 0.820 197 G HN 0.195 nan 8.290 nan 0.000 0.645 198 W N 0.033 120.919 121.300 -0.690 0.000 2.874 198 W HA 0.356 5.016 4.660 0.000 0.000 0.403 198 W C 0.176 176.436 176.519 -0.432 0.000 1.144 198 W CA 0.361 57.318 57.345 -0.647 0.000 1.175 198 W CB 1.203 30.052 29.460 -1.018 0.000 1.483 198 W HN 0.806 nan 8.180 nan 0.000 0.591 199 D N -0.616 119.526 120.400 -0.430 0.000 2.363 199 D HA -0.092 4.548 4.640 -0.000 0.000 0.226 199 D C 0.968 177.436 176.300 0.280 0.000 1.020 199 D CA 0.716 54.706 54.000 -0.016 0.000 0.892 199 D CB -0.536 40.285 40.800 0.034 0.000 0.900 199 D HN 0.410 nan 8.370 nan 0.000 0.531 200 W N -1.013 120.621 121.300 0.556 0.000 2.499 200 W HA 0.614 5.274 4.660 -0.000 0.000 0.362 200 W C -0.148 176.706 176.519 0.559 0.000 0.945 200 W CA -0.839 56.790 57.345 0.474 0.000 1.721 200 W CB 0.115 29.857 29.460 0.469 0.000 1.156 200 W HN -0.009 nan 8.180 nan 0.000 0.547 201 G N 1.807 110.820 108.800 0.356 0.000 2.571 201 G HA2 0.532 4.492 3.960 -0.000 0.000 0.304 201 G HA3 0.532 4.492 3.960 -0.000 0.000 0.304 201 G C -1.410 173.317 174.900 -0.288 0.000 1.314 201 G CA -0.933 44.278 45.100 0.185 0.000 0.975 201 G HN 0.114 nan 8.290 nan 0.000 0.485 202 I N 0.712 120.630 120.570 -1.088 0.000 2.575 202 I HA 0.375 4.545 4.170 -0.000 0.000 0.285 202 I C 0.714 176.505 176.117 -0.544 0.000 1.085 202 I CA -0.867 59.770 61.300 -1.105 0.000 1.403 202 I CB 0.719 37.664 38.000 -1.759 0.000 1.409 202 I HN 0.451 nan 8.210 nan 0.000 0.557 203 R N 8.257 128.556 120.500 -0.336 0.000 2.242 203 R HA 0.380 4.720 4.340 -0.000 0.000 0.334 203 R C -1.249 174.861 176.300 -0.317 0.000 1.071 203 R CA -0.096 55.851 56.100 -0.255 0.000 0.922 203 R CB 0.378 30.628 30.300 -0.083 0.000 1.023 203 R HN 0.685 nan 8.270 nan 0.000 0.458 204 M N 5.659 125.005 119.600 -0.423 0.000 1.956 204 M HA 0.172 4.652 4.480 -0.000 0.000 0.256 204 M C -0.992 174.971 176.300 -0.561 0.000 0.869 204 M CA -0.661 54.311 55.300 -0.546 0.000 0.886 204 M CB 2.097 34.293 32.600 -0.673 0.000 1.739 204 M HN 0.224 nan 8.290 nan 0.000 0.381 205 V N 1.715 121.376 119.914 -0.421 0.000 2.341 205 V HA 0.084 4.204 4.120 -0.000 0.000 0.248 205 V C 0.710 176.661 176.094 -0.238 0.000 1.107 205 V CA 0.464 62.496 62.300 -0.447 0.000 1.069 205 V CB 0.160 31.700 31.823 -0.472 0.000 1.177 205 V HN 0.731 nan 8.190 nan 0.000 0.492 206 T N 3.399 117.772 114.554 -0.302 0.000 2.880 206 T HA 0.678 5.028 4.350 -0.000 0.000 0.279 206 T C 0.017 174.589 174.700 -0.214 0.000 0.990 206 T CA -0.210 61.794 62.100 -0.160 0.000 0.938 206 T CB 1.482 70.218 68.868 -0.220 0.000 1.206 206 T HN 0.626 nan 8.240 nan 0.000 0.573 207 S N -1.272 114.261 115.700 -0.278 0.000 2.625 207 S HA 0.845 5.315 4.470 -0.000 0.000 0.271 207 S C -0.307 173.898 174.600 -0.659 0.000 1.161 207 S CA -0.099 57.862 58.200 -0.399 0.000 0.820 207 S CB 1.600 64.619 63.200 -0.301 0.000 1.137 207 S HN 1.381 nan 8.310 nan 0.000 0.470 208 G N -0.307 107.825 108.800 -1.113 0.000 2.334 208 G HA2 0.151 4.110 3.960 -0.000 0.000 0.315 208 G HA3 0.151 4.110 3.960 -0.000 0.000 0.315 208 G C -1.731 172.862 174.900 -0.512 0.000 1.284 208 G CA -0.564 43.760 45.100 -1.293 0.000 0.985 208 G HN 0.989 nan 8.290 nan 0.000 0.504 209 V N 2.287 121.964 119.914 -0.394 0.000 2.313 209 V HA 0.268 4.388 4.120 -0.000 0.000 0.252 209 V C 1.340 177.414 176.094 -0.033 0.000 1.112 209 V CA 0.363 62.618 62.300 -0.074 0.000 0.984 209 V CB -0.028 31.637 31.823 -0.263 0.000 1.157 209 V HN 0.832 nan 8.190 nan 0.000 0.493 210 W N 5.172 126.413 121.300 -0.098 0.000 3.077 210 W HA 0.337 4.998 4.660 0.000 0.000 0.266 210 W C 0.325 176.845 176.519 0.003 0.000 1.300 210 W CA -0.546 56.757 57.345 -0.071 0.000 1.586 210 W CB 0.193 29.621 29.460 -0.052 0.000 1.103 210 W HN 0.342 nan 8.180 nan 0.000 0.652 211 R N 0.121 120.349 120.500 -0.454 0.000 2.905 211 R HA 0.433 4.773 4.340 -0.000 0.000 0.260 211 R C -2.586 173.604 176.300 -0.184 0.000 1.086 211 R CA -2.049 53.801 56.100 -0.418 0.000 0.978 211 R CB 1.338 31.237 30.300 -0.668 0.000 1.215 211 R HN -0.400 nan 8.270 nan 0.000 0.480 212 P HA 0.067 nan 4.420 nan 0.000 0.269 212 P C -0.990 176.278 177.300 -0.052 0.000 1.215 212 P CA -0.213 62.847 63.100 -0.066 0.000 0.780 212 P CB 0.591 32.260 31.700 -0.052 0.000 0.898 213 V N 1.778 121.667 119.914 -0.043 0.000 2.495 213 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 213 V C 0.244 176.256 176.094 -0.136 0.000 1.031 213 V CA -0.336 61.874 62.300 -0.150 0.000 0.871 213 V CB 1.503 33.276 31.823 -0.083 0.000 0.988 213 V HN 0.746 nan 8.190 nan 0.000 0.432 214 T N 2.569 116.997 114.554 -0.209 0.000 2.909 214 T HA 0.759 5.109 4.350 -0.000 0.000 0.299 214 T C -1.087 173.473 174.700 -0.233 0.000 1.073 214 T CA -0.702 61.299 62.100 -0.166 0.000 0.999 214 T CB 1.665 70.475 68.868 -0.098 0.000 1.098 214 T HN 0.361 nan 8.240 nan 0.000 0.477 215 L N 2.018 123.101 121.223 -0.234 0.000 2.307 215 L HA 0.638 4.978 4.340 -0.000 0.000 0.284 215 L C 0.235 176.916 176.870 -0.316 0.000 1.023 215 L CA -0.926 53.705 54.840 -0.349 0.000 0.810 215 L CB 1.727 43.514 42.059 -0.453 0.000 1.231 215 L HN 0.687 nan 8.230 nan 0.000 0.423 216 R N 3.544 123.837 120.500 -0.344 0.000 2.393 216 R HA 0.486 4.826 4.340 -0.000 0.000 0.315 216 R C -1.649 174.537 176.300 -0.190 0.000 0.952 216 R CA -0.473 55.537 56.100 -0.149 0.000 0.842 216 R CB 0.880 31.150 30.300 -0.050 0.000 1.163 216 R HN 0.324 nan 8.270 nan 0.000 0.450 217 F N 6.006 126.036 119.950 0.133 0.000 2.404 217 F HA 0.391 4.918 4.527 -0.000 0.000 0.354 217 F C -0.278 175.624 175.800 0.170 0.000 1.122 217 F CA -0.580 57.485 58.000 0.108 0.000 1.080 217 F CB 0.980 40.003 39.000 0.038 0.000 1.131 217 F HN 0.472 nan 8.300 nan 0.000 0.471 218 Y N -0.531 119.849 120.300 0.133 0.000 2.655 218 Y HA 0.690 5.240 4.550 -0.001 0.000 0.336 218 Y C -1.627 174.309 175.900 0.059 0.000 1.154 218 Y CA -1.553 56.593 58.100 0.077 0.000 1.055 218 Y CB 1.320 39.800 38.460 0.034 0.000 1.295 218 Y HN 0.348 nan 8.280 nan 0.000 0.465 219 D N 2.195 122.678 120.400 0.137 0.000 2.269 219 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 219 D C 0.656 177.054 176.300 0.162 0.000 0.992 219 D CA -0.141 53.881 54.000 0.037 0.000 0.894 219 D CB 2.111 42.931 40.800 0.034 0.000 1.248 219 D HN 0.755 nan 8.370 nan 0.000 0.468 220 I N -0.846 119.773 120.570 0.082 0.000 4.624 220 I HA -0.369 3.801 4.170 -0.000 0.000 0.049 220 I C 0.484 176.724 176.117 0.204 0.000 0.621 220 I CA 1.709 63.073 61.300 0.107 0.000 0.836 220 I CB -1.939 36.107 38.000 0.076 0.000 0.765 220 I HN 0.687 nan 8.210 nan 0.000 0.159 221 A N -0.009 122.995 122.820 0.308 0.000 2.586 221 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 221 A C -0.186 177.382 177.584 -0.026 0.000 1.062 221 A CA 0.357 52.509 52.037 0.191 0.000 0.666 221 A CB 1.405 20.444 19.000 0.065 0.000 1.281 221 A HN 0.710 nan 8.150 nan 0.000 0.421 222 T N -1.047 113.376 114.554 -0.217 0.000 2.908 222 T HA 0.719 5.069 4.350 -0.000 0.000 0.290 222 T C -0.395 174.207 174.700 -0.163 0.000 1.034 222 T CA -0.485 61.418 62.100 -0.327 0.000 1.010 222 T CB 0.985 69.522 68.868 -0.550 0.000 1.068 222 T HN 0.567 nan 8.240 nan 0.000 0.481 223 I N 3.000 123.491 120.570 -0.131 0.000 2.363 223 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 223 I C 1.180 177.259 176.117 -0.063 0.000 1.075 223 I CA -0.299 60.953 61.300 -0.079 0.000 1.333 223 I CB 1.022 38.979 38.000 -0.071 0.000 1.415 223 I HN 0.792 nan 8.210 nan 0.000 0.502 224 S N 3.462 119.134 115.700 -0.047 0.000 2.436 224 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 224 S C 0.234 174.839 174.600 0.008 0.000 1.014 224 S CA 0.546 58.728 58.200 -0.030 0.000 0.950 224 S CB -0.146 63.037 63.200 -0.028 0.000 0.784 224 S HN 0.771 nan 8.310 nan 0.000 0.504 225 D N -1.178 119.250 120.400 0.047 0.000 2.803 225 D HA 0.390 5.030 4.640 -0.000 0.000 0.218 225 D C -2.010 174.427 176.300 0.229 0.000 1.245 225 D CA -0.537 53.527 54.000 0.108 0.000 0.821 225 D CB 1.159 42.006 40.800 0.078 0.000 1.626 225 D HN -0.020 nan 8.370 nan 0.000 0.487 226 Y N 3.831 124.214 120.300 0.138 0.000 2.329 226 Y HA 0.534 5.084 4.550 0.000 0.000 0.328 226 Y C -2.281 173.795 175.900 0.293 0.000 0.992 226 Y CA -1.192 57.027 58.100 0.199 0.000 1.151 226 Y CB 0.817 39.363 38.460 0.143 0.000 1.150 226 Y HN 0.396 nan 8.280 nan 0.000 0.450 227 Y N 6.360 126.691 120.300 0.051 0.000 2.326 227 Y HA 0.617 5.167 4.550 -0.000 0.000 0.331 227 Y C -1.527 174.218 175.900 -0.259 0.000 0.962 227 Y CA -1.845 56.143 58.100 -0.188 0.000 1.167 227 Y CB 1.330 39.759 38.460 -0.053 0.000 1.148 227 Y HN 0.357 nan 8.280 nan 0.000 0.463 228 V N 8.215 127.811 119.914 -0.529 0.000 2.322 228 V HA 0.339 4.459 4.120 -0.000 0.000 0.258 228 V C 0.264 175.917 176.094 -0.736 0.000 1.074 228 V CA -0.529 61.404 62.300 -0.612 0.000 0.909 228 V CB 0.198 31.548 31.823 -0.788 0.000 1.090 228 V HN 0.674 nan 8.190 nan 0.000 0.486 229 R N 4.258 124.273 120.500 -0.809 0.000 2.234 229 R HA 0.275 4.615 4.340 -0.000 0.000 0.324 229 R C 0.071 176.147 176.300 -0.373 0.000 1.054 229 R CA -0.424 55.221 56.100 -0.758 0.000 0.912 229 R CB 0.695 30.544 30.300 -0.752 0.000 1.030 229 R HN 0.750 nan 8.270 nan 0.000 0.455 230 Q N 4.841 124.475 119.800 -0.277 0.000 2.296 230 Q HA 0.073 4.413 4.340 -0.000 0.000 0.263 230 Q C 0.417 176.349 176.000 -0.114 0.000 1.026 230 Q CA -0.144 55.556 55.803 -0.171 0.000 0.912 230 Q CB 0.967 29.622 28.738 -0.139 0.000 1.198 230 Q HN 0.783 nan 8.270 nan 0.000 0.407 231 L N 2.121 123.290 121.223 -0.090 0.000 2.127 231 L HA 0.102 4.442 4.340 -0.000 0.000 0.203 231 L C 0.621 177.468 176.870 -0.039 0.000 1.080 231 L CA 0.382 55.186 54.840 -0.060 0.000 0.768 231 L CB -0.001 42.028 42.059 -0.051 0.000 0.924 231 L HN 0.643 nan 8.230 nan 0.000 0.444 232 S N -0.801 114.879 115.700 -0.033 0.000 2.565 232 S HA 0.635 5.105 4.470 -0.000 0.000 0.269 232 S C -1.291 173.300 174.600 -0.014 0.000 1.153 232 S CA -0.814 57.375 58.200 -0.018 0.000 0.835 232 S CB 2.540 65.733 63.200 -0.012 0.000 1.122 232 S HN -0.000 nan 8.310 nan 0.000 0.462 233 L N 1.747 122.969 121.223 -0.001 0.000 2.476 233 L HA 0.844 5.184 4.340 -0.000 0.000 0.269 233 L C -0.417 176.465 176.870 0.021 0.000 0.965 233 L CA 0.350 55.196 54.840 0.010 0.000 0.845 233 L CB 1.840 43.910 42.059 0.018 0.000 1.259 233 L HN 1.236 nan 8.230 nan 0.000 0.403 234 T N -0.747 113.821 114.554 0.022 0.000 2.864 234 T HA 0.454 4.804 4.350 -0.000 0.000 0.289 234 T C 0.290 175.010 174.700 0.033 0.000 1.082 234 T CA -0.507 61.609 62.100 0.027 0.000 1.009 234 T CB 1.230 70.110 68.868 0.019 0.000 1.234 234 T HN 0.461 nan 8.240 nan 0.000 0.526 235 D N 0.271 120.691 120.400 0.033 0.000 2.218 235 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 235 D C 1.563 177.884 176.300 0.036 0.000 0.976 235 D CA 1.169 55.192 54.000 0.038 0.000 0.853 235 D CB 0.024 40.842 40.800 0.030 0.000 0.939 235 D HN 0.651 nan 8.370 nan 0.000 0.481 236 E N -0.390 119.827 120.200 0.027 0.000 2.250 236 E HA 0.095 4.445 4.350 -0.000 0.000 0.192 236 E C 0.221 176.835 176.600 0.023 0.000 0.986 236 E CA 0.323 56.737 56.400 0.024 0.000 0.849 236 E CB 0.291 30.001 29.700 0.018 0.000 0.797 236 E HN 0.030 nan 8.360 nan 0.000 0.482 237 N N -0.923 117.789 118.700 0.020 0.000 2.516 237 N HA 0.481 5.221 4.740 -0.000 0.000 0.268 237 N C -2.019 173.495 175.510 0.006 0.000 1.096 237 N CA -0.294 52.763 53.050 0.012 0.000 0.954 237 N CB 1.567 40.058 38.487 0.007 0.000 1.676 237 N HN -0.018 nan 8.380 nan 0.000 0.490 238 A N 2.717 125.534 122.820 -0.005 0.000 2.303 238 A HA 0.724 5.044 4.320 -0.000 0.000 0.320 238 A C -0.526 177.049 177.584 -0.015 0.000 1.192 238 A CA -0.564 51.464 52.037 -0.016 0.000 0.821 238 A CB 0.518 19.493 19.000 -0.041 0.000 1.188 238 A HN 0.624 nan 8.150 nan 0.000 0.492 239 R N 2.396 122.886 120.500 -0.017 0.000 2.295 239 R HA 0.569 4.909 4.340 -0.000 0.000 0.324 239 R C -1.128 175.155 176.300 -0.028 0.000 0.968 239 R CA -0.629 55.462 56.100 -0.015 0.000 0.837 239 R CB 1.211 31.502 30.300 -0.015 0.000 1.133 239 R HN 0.468 nan 8.270 nan 0.000 0.450 240 L N 1.122 122.340 121.223 -0.008 0.000 2.333 240 L HA 0.475 4.815 4.340 -0.000 0.000 0.269 240 L C 0.130 176.989 176.870 -0.019 0.000 1.010 240 L CA -0.439 54.386 54.840 -0.025 0.000 0.818 240 L CB 1.808 43.904 42.059 0.061 0.000 1.306 240 L HN 0.534 nan 8.230 nan 0.000 0.430 241 S N 2.259 117.913 115.700 -0.076 0.000 2.596 241 S HA 0.461 4.931 4.470 -0.000 0.000 0.318 241 S C -0.582 173.987 174.600 -0.050 0.000 1.097 241 S CA -0.712 57.457 58.200 -0.053 0.000 1.080 241 S CB 0.279 63.430 63.200 -0.081 0.000 0.991 241 S HN 0.577 nan 8.310 nan 0.000 0.471 242 N N 4.706 123.452 118.700 0.076 0.000 2.415 242 N HA 0.154 4.894 4.740 -0.000 0.000 0.246 242 N C -0.816 174.807 175.510 0.189 0.000 1.078 242 N CA -0.041 53.144 53.050 0.225 0.000 0.942 242 N CB 0.949 39.634 38.487 0.330 0.000 1.140 242 N HN 0.693 nan 8.380 nan 0.000 0.501 243 E N 2.552 122.875 120.200 0.205 0.000 2.113 243 E HA 0.360 4.710 4.350 -0.000 0.000 0.273 243 E C -0.502 176.282 176.600 0.307 0.000 0.924 243 E CA -0.468 56.060 56.400 0.214 0.000 0.764 243 E CB 1.561 31.387 29.700 0.210 0.000 1.104 243 E HN 0.302 nan 8.360 nan 0.000 0.406 244 L N 4.067 125.414 121.223 0.206 0.000 2.329 244 L HA 0.519 4.859 4.340 -0.000 0.000 0.279 244 L C -0.430 176.508 176.870 0.114 0.000 1.014 244 L CA -0.623 54.308 54.840 0.152 0.000 0.814 244 L CB 1.465 43.539 42.059 0.025 0.000 1.257 244 L HN 0.440 nan 8.230 nan 0.000 0.424 245 I N 3.382 124.001 120.570 0.083 0.000 2.330 245 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 245 I C -0.732 175.352 176.117 -0.055 0.000 1.001 245 I CA -0.666 60.619 61.300 -0.025 0.000 1.193 245 I CB 1.693 39.688 38.000 -0.008 0.000 1.345 245 I HN 0.184 nan 8.210 nan 0.000 0.461 246 V N 5.495 125.353 119.914 -0.093 0.000 2.384 246 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 246 V C -0.229 175.821 176.094 -0.074 0.000 1.020 246 V CA -0.688 61.569 62.300 -0.072 0.000 0.850 246 V CB 1.788 33.579 31.823 -0.054 0.000 0.987 246 V HN 0.662 nan 8.190 nan 0.000 0.436 247 N N 3.859 122.524 118.700 -0.059 0.000 2.485 247 N HA 0.255 4.995 4.740 -0.000 0.000 0.243 247 N C -0.479 175.042 175.510 0.018 0.000 0.987 247 N CA -0.260 52.772 53.050 -0.030 0.000 0.940 247 N CB 1.174 39.644 38.487 -0.028 0.000 1.122 247 N HN 0.782 nan 8.380 nan 0.000 0.509 248 Q N 3.658 123.476 119.800 0.030 0.000 2.274 248 Q HA 0.278 4.618 4.340 -0.000 0.000 0.256 248 Q C 0.171 176.219 176.000 0.080 0.000 0.927 248 Q CA -0.334 55.507 55.803 0.064 0.000 0.939 248 Q CB 0.998 29.758 28.738 0.037 0.000 1.201 248 Q HN 0.725 nan 8.270 nan 0.000 0.426 249 I N 4.517 125.158 120.570 0.119 0.000 3.645 249 I HA 0.044 4.214 4.170 -0.000 0.000 0.300 249 I C -0.047 176.092 176.117 0.037 0.000 1.260 249 I CA 0.209 61.564 61.300 0.092 0.000 1.365 249 I CB 1.007 39.080 38.000 0.122 0.000 1.077 249 I HN 0.536 nan 8.210 nan 0.000 0.439 250 V N -1.127 118.806 119.914 0.031 0.000 2.743 250 V HA 0.477 4.597 4.120 -0.000 0.000 0.301 250 V C -1.558 174.545 176.094 0.016 0.000 1.057 250 V CA -1.237 61.071 62.300 0.013 0.000 1.006 250 V CB 0.383 32.211 31.823 0.008 0.000 1.024 250 V HN 0.020 nan 8.190 nan 0.000 0.473 251 P HA -0.021 nan 4.420 nan 0.000 0.225 251 P C 0.329 177.635 177.300 0.010 0.000 1.156 251 P CA 0.794 63.901 63.100 0.011 0.000 0.787 251 P CB 0.172 31.877 31.700 0.008 0.000 0.802 252 Q N 0.415 120.221 119.800 0.010 0.000 2.256 252 Q HA 0.259 4.599 4.340 -0.000 0.000 0.232 252 Q C -0.396 175.610 176.000 0.010 0.000 0.965 252 Q CA -0.606 55.203 55.803 0.009 0.000 0.908 252 Q CB 0.686 29.428 28.738 0.007 0.000 1.209 252 Q HN -0.233 nan 8.270 nan 0.000 0.489 253 K N 1.100 121.505 120.400 0.009 0.000 2.451 253 K HA 0.224 4.544 4.320 -0.000 0.000 0.280 253 K C -0.465 176.140 176.600 0.009 0.000 1.020 253 K CA 0.185 56.478 56.287 0.009 0.000 1.008 253 K CB 0.250 32.755 32.500 0.008 0.000 0.917 253 K HN 0.492 nan 8.250 nan 0.000 0.478 254 I N 6.740 127.316 120.570 0.010 0.000 2.382 254 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 254 I C -2.250 173.871 176.117 0.008 0.000 1.002 254 I CA -2.853 58.453 61.300 0.010 0.000 1.135 254 I CB 1.432 39.441 38.000 0.014 0.000 1.288 254 I HN 0.406 nan 8.210 nan 0.000 0.448 255 P HA 0.302 nan 4.420 nan 0.000 0.271 255 P C -0.728 176.574 177.300 0.003 0.000 1.220 255 P CA -0.021 63.082 63.100 0.004 0.000 0.768 255 P CB 1.514 33.216 31.700 0.003 0.000 0.848 256 A N 2.434 125.255 122.820 0.001 0.000 2.594 256 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 256 A C -1.176 176.405 177.584 -0.006 0.000 1.105 256 A CA -0.641 51.395 52.037 -0.002 0.000 0.694 256 A CB 1.561 20.559 19.000 -0.003 0.000 1.291 256 A HN 0.507 nan 8.150 nan 0.000 0.410 257 E N 0.872 121.066 120.200 -0.010 0.000 2.165 257 E HA 0.548 4.898 4.350 -0.000 0.000 0.266 257 E C -1.407 175.179 176.600 -0.022 0.000 0.889 257 E CA -0.529 55.863 56.400 -0.013 0.000 0.756 257 E CB 1.572 31.264 29.700 -0.012 0.000 1.131 257 E HN 0.453 nan 8.360 nan 0.000 0.411 258 V N 5.147 125.046 119.914 -0.026 0.000 2.488 258 V HA 0.346 4.466 4.120 -0.000 0.000 0.277 258 V C 0.147 176.214 176.094 -0.044 0.000 1.046 258 V CA -0.130 62.144 62.300 -0.043 0.000 0.986 258 V CB 0.915 32.711 31.823 -0.044 0.000 0.989 258 V HN 0.653 nan 8.190 nan 0.000 0.475 259 R N 3.359 123.824 120.500 -0.058 0.000 2.534 259 R HA 0.731 5.071 4.340 -0.000 0.000 0.301 259 R C -1.531 174.728 176.300 -0.068 0.000 0.961 259 R CA -0.681 55.389 56.100 -0.050 0.000 0.871 259 R CB 2.385 32.660 30.300 -0.041 0.000 1.170 259 R HN 0.494 nan 8.270 nan 0.000 0.446 260 V N 3.245 123.129 119.914 -0.049 0.000 2.409 260 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 260 V C -0.414 175.652 176.094 -0.046 0.000 1.020 260 V CA -0.855 61.421 62.300 -0.039 0.000 0.848 260 V CB 1.576 33.407 31.823 0.013 0.000 0.990 260 V HN 0.702 nan 8.190 nan 0.000 0.430 261 N N 4.171 122.841 118.700 -0.050 0.000 2.408 261 N HA 0.479 5.219 4.740 -0.000 0.000 0.280 261 N C -1.307 174.110 175.510 -0.154 0.000 1.002 261 N CA -0.244 52.759 53.050 -0.077 0.000 0.907 261 N CB 2.136 40.597 38.487 -0.045 0.000 1.161 261 N HN 0.384 nan 8.380 nan 0.000 0.488 262 V N 2.717 122.479 119.914 -0.254 0.000 2.384 262 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 262 V C 0.064 176.065 176.094 -0.154 0.000 1.020 262 V CA -0.585 61.450 62.300 -0.442 0.000 0.850 262 V CB 0.979 32.364 31.823 -0.729 0.000 0.987 262 V HN 0.808 nan 8.190 nan 0.000 0.436 263 S N 5.007 120.680 115.700 -0.044 0.000 2.632 263 S HA 0.898 5.368 4.470 -0.000 0.000 0.289 263 S C -1.251 173.392 174.600 0.071 0.000 1.115 263 S CA -0.868 57.349 58.200 0.028 0.000 0.889 263 S CB 2.309 65.512 63.200 0.006 0.000 1.116 263 S HN 0.623 nan 8.310 nan 0.000 0.486 264 L N 1.927 123.141 121.223 -0.015 0.000 2.404 264 L HA 0.591 4.930 4.340 -0.000 0.000 0.272 264 L C -0.502 176.304 176.870 -0.107 0.000 0.980 264 L CA 0.179 54.909 54.840 -0.182 0.000 0.836 264 L CB 0.755 42.579 42.059 -0.392 0.000 1.238 264 L HN 0.855 nan 8.230 nan 0.000 0.408 265 N N 4.374 123.022 118.700 -0.086 0.000 2.727 265 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 265 N C 0.932 176.426 175.510 -0.027 0.000 1.048 265 N CA 1.423 54.443 53.050 -0.050 0.000 0.714 265 N CB -1.063 37.388 38.487 -0.059 0.000 0.959 265 N HN 1.290 nan 8.380 nan 0.000 0.544 266 G N -2.618 106.172 108.800 -0.016 0.000 2.175 266 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 266 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 266 G C 0.052 174.948 174.900 -0.007 0.000 0.982 266 G CA 0.548 45.644 45.100 -0.007 0.000 0.641 266 G HN 0.525 nan 8.290 nan 0.000 0.527 267 T N 1.783 116.330 114.554 -0.010 0.000 2.812 267 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 267 T C 0.282 174.981 174.700 -0.001 0.000 0.990 267 T CA 0.053 62.150 62.100 -0.006 0.000 0.960 267 T CB 1.702 70.567 68.868 -0.005 0.000 0.948 267 T HN 0.224 nan 8.240 nan 0.000 0.438 268 T N 2.834 117.386 114.554 -0.003 0.000 2.866 268 T HA 0.083 4.433 4.350 -0.000 0.000 0.293 268 T C 1.707 176.408 174.700 0.002 0.000 1.005 268 T CA 0.056 62.151 62.100 -0.008 0.000 1.162 268 T CB 0.330 69.189 68.868 -0.015 0.000 0.968 268 T HN 0.612 nan 8.240 nan 0.000 0.530 269 V N 1.183 121.101 119.914 0.007 0.000 2.922 269 V HA 0.403 4.523 4.120 -0.000 0.000 0.242 269 V C 0.827 176.914 176.094 -0.012 0.000 1.094 269 V CA 0.705 63.020 62.300 0.025 0.000 1.106 269 V CB 0.453 32.338 31.823 0.104 0.000 0.799 269 V HN 0.790 nan 8.190 nan 0.000 0.474 270 T N 0.297 114.819 114.554 -0.054 0.000 2.923 270 T HA 0.510 4.860 4.350 -0.000 0.000 0.311 270 T C -1.831 172.822 174.700 -0.079 0.000 1.183 270 T CA -0.414 61.648 62.100 -0.064 0.000 1.020 270 T CB 2.122 70.948 68.868 -0.069 0.000 1.165 270 T HN 0.490 nan 8.240 nan 0.000 0.482 271 E N 1.957 122.125 120.200 -0.053 0.000 2.263 271 E HA 0.567 4.917 4.350 -0.000 0.000 0.268 271 E C -0.993 175.587 176.600 -0.033 0.000 0.884 271 E CA -0.632 55.740 56.400 -0.047 0.000 0.766 271 E CB 2.156 31.835 29.700 -0.034 0.000 1.196 271 E HN 0.649 nan 8.360 nan 0.000 0.416 272 V N 0.026 119.922 119.914 -0.030 0.000 2.962 272 V HA 0.812 4.932 4.120 -0.000 0.000 0.313 272 V C -0.706 175.378 176.094 -0.017 0.000 1.099 272 V CA -0.967 61.323 62.300 -0.017 0.000 0.971 272 V CB 2.113 33.932 31.823 -0.006 0.000 1.028 272 V HN 0.692 nan 8.190 nan 0.000 0.430 273 K N 1.983 122.375 120.400 -0.013 0.000 2.532 273 K HA 0.773 5.093 4.320 -0.000 0.000 0.265 273 K C -1.472 175.123 176.600 -0.010 0.000 0.948 273 K CA -0.829 55.449 56.287 -0.015 0.000 0.842 273 K CB 2.766 35.256 32.500 -0.016 0.000 1.392 273 K HN 0.838 nan 8.250 nan 0.000 0.436 274 Q N 1.633 121.427 119.800 -0.010 0.000 2.284 274 Q HA 0.151 4.491 4.340 -0.000 0.000 0.269 274 Q C -1.307 174.689 176.000 -0.006 0.000 1.026 274 Q CA -0.760 55.039 55.803 -0.006 0.000 0.831 274 Q CB 2.142 30.879 28.738 -0.002 0.000 1.322 274 Q HN 0.607 nan 8.270 nan 0.000 0.419 275 Q N 1.753 121.551 119.800 -0.003 0.000 2.288 275 Q HA 0.452 4.792 4.340 -0.000 0.000 0.254 275 Q C -0.083 175.917 176.000 -0.000 0.000 0.932 275 Q CA -0.170 55.631 55.803 -0.003 0.000 0.902 275 Q CB 1.509 30.246 28.738 -0.001 0.000 1.203 275 Q HN 0.521 nan 8.270 nan 0.000 0.415 276 V N -1.368 118.546 119.914 -0.001 0.000 3.130 276 V HA 0.773 4.893 4.120 -0.000 0.000 0.310 276 V C -0.528 175.568 176.094 0.003 0.000 1.158 276 V CA -0.853 61.449 62.300 0.002 0.000 1.029 276 V CB 2.371 34.195 31.823 0.002 0.000 1.057 276 V HN 0.655 nan 8.190 nan 0.000 0.436 277 T N 3.935 118.492 114.554 0.006 0.000 2.791 277 T HA 0.622 4.972 4.350 -0.000 0.000 0.288 277 T C -0.326 174.378 174.700 0.007 0.000 0.999 277 T CA -0.227 61.877 62.100 0.006 0.000 0.952 277 T CB 0.782 69.655 68.868 0.007 0.000 0.938 277 T HN 0.656 nan 8.240 nan 0.000 0.444 278 L N 4.279 125.506 121.223 0.006 0.000 2.349 278 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 278 L C 0.885 177.760 176.870 0.008 0.000 1.115 278 L CA -0.695 54.148 54.840 0.006 0.000 0.820 278 L CB 0.699 42.761 42.059 0.006 0.000 1.135 278 L HN 0.627 nan 8.230 nan 0.000 0.445 279 Q N 2.921 122.726 119.800 0.008 0.000 2.215 279 Q HA 0.555 4.895 4.340 -0.000 0.000 0.256 279 Q C -2.658 173.349 176.000 0.011 0.000 0.972 279 Q CA -2.430 53.379 55.803 0.010 0.000 0.889 279 Q CB 1.113 29.859 28.738 0.012 0.000 1.281 279 Q HN 0.264 nan 8.270 nan 0.000 0.456 280 P HA 0.029 nan 4.420 nan 0.000 0.265 280 P C 0.399 177.708 177.300 0.014 0.000 1.187 280 P CA 1.782 64.892 63.100 0.018 0.000 0.766 280 P CB 0.335 32.045 31.700 0.018 0.000 0.820 281 G N 2.866 111.676 108.800 0.017 0.000 2.512 281 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.240 281 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.240 281 G C -0.700 174.190 174.900 -0.016 0.000 1.246 281 G CA -0.725 44.380 45.100 0.009 0.000 0.919 281 G HN 0.509 nan 8.290 nan 0.000 0.577 282 I N 2.606 123.156 120.570 -0.033 0.000 2.533 282 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 282 I C 0.449 176.484 176.117 -0.136 0.000 1.109 282 I CA -0.093 61.146 61.300 -0.102 0.000 1.412 282 I CB 0.120 38.058 38.000 -0.105 0.000 1.396 282 I HN 0.431 nan 8.210 nan 0.000 0.543 283 N N 6.044 124.625 118.700 -0.198 0.000 2.284 283 N HA 0.349 5.089 4.740 -0.000 0.000 0.300 283 N C -0.730 174.610 175.510 -0.284 0.000 1.047 283 N CA -0.596 52.359 53.050 -0.159 0.000 0.821 283 N CB 2.049 40.496 38.487 -0.066 0.000 1.337 283 N HN 0.488 nan 8.380 nan 0.000 0.482 284 H N 2.146 121.231 119.070 0.026 0.000 2.511 284 H HA 0.467 5.023 4.556 -0.000 0.000 0.328 284 H C -0.337 175.008 175.328 0.027 0.000 1.044 284 H CA -0.193 55.874 56.048 0.033 0.000 1.212 284 H CB 1.631 31.413 29.762 0.034 0.000 1.428 284 H HN 0.405 nan 8.280 nan 0.000 0.483 285 I N 2.040 122.685 120.570 0.125 0.000 2.608 285 I HA 0.232 4.402 4.170 -0.000 0.000 0.295 285 I C -0.096 176.073 176.117 0.085 0.000 1.049 285 I CA -0.344 61.003 61.300 0.078 0.000 1.063 285 I CB 2.364 40.385 38.000 0.034 0.000 1.248 285 I HN 0.406 nan 8.210 nan 0.000 0.424 286 T N 6.434 121.026 114.554 0.063 0.000 2.937 286 T HA 0.672 5.022 4.350 -0.000 0.000 0.297 286 T C -0.888 173.836 174.700 0.040 0.000 0.991 286 T CA -0.448 61.686 62.100 0.058 0.000 0.990 286 T CB 1.178 70.074 68.868 0.046 0.000 0.991 286 T HN 0.103 nan 8.240 nan 0.000 0.440 287 L N 5.158 126.409 121.223 0.047 0.000 2.376 287 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 287 L C -2.552 174.346 176.870 0.046 0.000 0.987 287 L CA -2.003 52.859 54.840 0.037 0.000 0.828 287 L CB 1.594 43.672 42.059 0.031 0.000 1.249 287 L HN 0.340 nan 8.230 nan 0.000 0.409 288 P HA 0.564 nan 4.420 nan 0.000 0.277 288 P C -1.172 176.150 177.300 0.037 0.000 1.240 288 P CA -0.423 62.694 63.100 0.028 0.000 0.798 288 P CB 1.354 33.061 31.700 0.012 0.000 0.979 289 A N 1.571 124.420 122.820 0.049 0.000 2.539 289 A HA 0.630 4.950 4.320 -0.000 0.000 0.296 289 A C -1.208 176.394 177.584 0.030 0.000 1.073 289 A CA -0.574 51.486 52.037 0.038 0.000 0.700 289 A CB 1.425 20.459 19.000 0.055 0.000 1.296 289 A HN 0.513 nan 8.150 nan 0.000 0.405 290 E N 0.146 120.348 120.200 0.004 0.000 2.288 290 E HA 0.585 4.935 4.350 -0.000 0.000 0.268 290 E C -1.482 175.105 176.600 -0.023 0.000 0.885 290 E CA -0.965 55.433 56.400 -0.003 0.000 0.767 290 E CB 2.617 32.315 29.700 -0.003 0.000 1.220 290 E HN 0.308 nan 8.360 nan 0.000 0.427 291 V N 1.996 121.891 119.914 -0.032 0.000 2.378 291 V HA 0.228 4.348 4.120 -0.000 0.000 0.288 291 V C 0.133 176.221 176.094 -0.010 0.000 1.016 291 V CA -0.797 61.475 62.300 -0.047 0.000 0.840 291 V CB 1.413 33.147 31.823 -0.148 0.000 0.994 291 V HN 0.848 nan 8.190 nan 0.000 0.431 292 T N 1.914 116.475 114.554 0.012 0.000 2.884 292 T HA 0.259 4.609 4.350 -0.000 0.000 0.298 292 T C 0.497 175.225 174.700 0.047 0.000 0.998 292 T CA -0.440 61.675 62.100 0.025 0.000 1.124 292 T CB 0.321 69.202 68.868 0.022 0.000 0.931 292 T HN 0.684 nan 8.240 nan 0.000 0.531 293 N N 1.586 120.314 118.700 0.046 0.000 2.705 293 N HA -0.101 4.639 4.740 -0.000 0.000 0.255 293 N C -2.405 173.162 175.510 0.095 0.000 1.008 293 N CA 0.455 53.541 53.050 0.060 0.000 0.742 293 N CB -1.191 37.329 38.487 0.055 0.000 0.906 293 N HN 0.655 nan 8.380 nan 0.000 0.541 294 P HA 0.063 nan 4.420 nan 0.000 0.269 294 P C 0.064 177.490 177.300 0.211 0.000 1.209 294 P CA -0.147 63.043 63.100 0.150 0.000 0.776 294 P CB 0.884 32.622 31.700 0.064 0.000 0.876 295 V N 4.826 124.952 119.914 0.353 0.000 2.368 295 V HA 0.191 4.311 4.120 -0.000 0.000 0.266 295 V C 1.268 177.552 176.094 0.318 0.000 1.045 295 V CA -0.379 62.081 62.300 0.266 0.000 0.899 295 V CB -0.190 31.736 31.823 0.172 0.000 1.006 295 V HN 0.472 nan 8.190 nan 0.000 0.470 296 R N 2.916 123.554 120.500 0.229 0.000 2.594 296 R HA 0.104 4.444 4.340 -0.000 0.000 0.272 296 R C -0.357 176.124 176.300 0.302 0.000 1.074 296 R CA -0.394 55.862 56.100 0.261 0.000 1.105 296 R CB 0.918 31.338 30.300 0.200 0.000 1.008 296 R HN 0.762 nan 8.270 nan 0.000 0.472 297 W N 4.981 126.369 121.300 0.147 0.000 2.303 297 W HA 0.107 4.766 4.660 -0.000 0.000 0.318 297 W C -0.772 175.824 176.519 0.130 0.000 1.362 297 W CA -0.265 57.155 57.345 0.125 0.000 1.234 297 W CB 0.606 30.136 29.460 0.116 0.000 1.248 297 W HN 0.309 nan 8.180 nan 0.000 0.546 298 M N 9.481 128.936 119.600 -0.243 0.000 2.456 298 M HA 0.383 4.863 4.480 -0.000 0.000 0.324 298 M C -2.227 173.673 176.300 -0.667 0.000 1.124 298 M CA -2.426 52.755 55.300 -0.198 0.000 0.959 298 M CB 1.273 33.868 32.600 -0.008 0.000 1.692 298 M HN 0.246 nan 8.290 nan 0.000 0.444 299 P HA 0.090 nan 4.420 nan 0.000 0.274 299 P C -0.509 176.598 177.300 -0.321 0.000 1.237 299 P CA -0.434 62.378 63.100 -0.480 0.000 0.793 299 P CB 0.383 31.919 31.700 -0.273 0.000 0.977 300 N N 0.600 119.128 118.700 -0.286 0.000 2.301 300 N HA 0.107 4.847 4.740 -0.000 0.000 0.267 300 N C 1.403 176.817 175.510 -0.160 0.000 1.304 300 N CA 2.168 55.111 53.050 -0.179 0.000 0.851 300 N CB -0.646 37.761 38.487 -0.132 0.000 1.070 300 N HN 0.759 nan 8.380 nan 0.000 0.483 301 G N 2.584 111.350 108.800 -0.057 0.000 2.259 301 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 301 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 301 G C 0.317 175.362 174.900 0.243 0.000 1.001 301 G CA 0.100 45.217 45.100 0.029 0.000 0.627 301 G HN 0.556 nan 8.290 nan 0.000 0.501 302 W N 1.763 123.023 121.300 -0.067 0.000 2.862 302 W HA 0.600 5.259 4.660 -0.000 0.000 0.376 302 W C 1.196 177.675 176.519 -0.067 0.000 1.028 302 W CA 0.368 57.682 57.345 -0.050 0.000 1.757 302 W CB 0.377 29.814 29.460 -0.039 0.000 1.128 302 W HN 1.150 nan 8.180 nan 0.000 0.566 303 G N -0.307 108.554 108.800 0.101 0.000 2.260 303 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.250 303 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.250 303 G C -0.842 174.025 174.900 -0.054 0.000 1.340 303 G CA -0.919 44.194 45.100 0.021 0.000 1.056 303 G HN -0.271 nan 8.290 nan 0.000 0.471 304 T N 3.487 118.004 114.554 -0.061 0.000 2.817 304 T HA 0.547 4.897 4.350 -0.000 0.000 0.293 304 T C -2.181 172.401 174.700 -0.196 0.000 0.964 304 T CA -0.536 61.508 62.100 -0.092 0.000 1.085 304 T CB 1.764 70.607 68.868 -0.041 0.000 0.921 304 T HN 0.405 nan 8.240 nan 0.000 0.502 305 P HA 0.141 nan 4.420 nan 0.000 0.230 305 P C -0.310 176.961 177.300 -0.049 0.000 1.791 305 P CA -0.432 62.336 63.100 -0.554 0.000 1.020 305 P CB -0.900 30.550 31.700 -0.417 0.000 1.977 306 T N 3.016 117.607 114.554 0.062 0.000 2.867 306 T HA 0.174 4.524 4.350 -0.000 0.000 0.297 306 T C 0.479 175.377 174.700 0.330 0.000 0.989 306 T CA 0.445 62.638 62.100 0.154 0.000 1.159 306 T CB 0.175 69.118 68.868 0.125 0.000 0.928 306 T HN 0.179 nan 8.240 nan 0.000 0.538 307 L N 3.868 125.213 121.223 0.202 0.000 2.343 307 L HA 0.444 4.784 4.340 -0.000 0.000 0.278 307 L C -0.491 176.470 176.870 0.152 0.000 0.996 307 L CA -1.044 53.945 54.840 0.248 0.000 0.831 307 L CB 1.021 43.208 42.059 0.212 0.000 1.232 307 L HN 0.647 nan 8.230 nan 0.000 0.413 308 Y N 1.253 121.680 120.300 0.212 0.000 2.314 308 Y HA 0.136 4.686 4.550 -0.001 0.000 0.334 308 Y C 0.471 176.533 175.900 0.270 0.000 1.266 308 Y CA -0.230 58.014 58.100 0.240 0.000 1.391 308 Y CB 0.809 39.495 38.460 0.377 0.000 1.306 308 Y HN 0.448 nan 8.280 nan 0.000 0.558 309 D N 2.254 122.868 120.400 0.357 0.000 2.329 309 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 309 D C -1.297 175.195 176.300 0.321 0.000 1.088 309 D CA -0.117 54.061 54.000 0.297 0.000 0.835 309 D CB 0.904 41.793 40.800 0.149 0.000 1.078 309 D HN 0.207 nan 8.370 nan 0.000 0.495 310 F N 1.169 121.213 119.950 0.157 0.000 2.388 310 F HA 0.221 4.749 4.527 0.001 0.000 0.358 310 F C 0.782 176.724 175.800 0.237 0.000 1.122 310 F CA -0.604 57.512 58.000 0.195 0.000 1.056 310 F CB 1.808 40.924 39.000 0.194 0.000 1.155 310 F HN 0.027 nan 8.300 nan 0.000 0.461 311 S N 2.968 118.824 115.700 0.259 0.000 2.502 311 S HA 0.882 5.352 4.470 -0.000 0.000 0.304 311 S C -0.857 173.748 174.600 0.009 0.000 1.097 311 S CA -0.482 57.807 58.200 0.148 0.000 1.045 311 S CB 0.970 64.205 63.200 0.057 0.000 1.019 311 S HN 0.764 nan 8.310 nan 0.000 0.481 312 A N 4.319 127.029 122.820 -0.183 0.000 2.318 312 A HA 0.753 5.073 4.320 -0.000 0.000 0.324 312 A C -0.559 176.889 177.584 -0.227 0.000 1.170 312 A CA -0.616 51.194 52.037 -0.378 0.000 0.810 312 A CB 0.991 19.412 19.000 -0.964 0.000 1.198 312 A HN 0.835 nan 8.150 nan 0.000 0.484 313 Q N 1.099 120.807 119.800 -0.154 0.000 2.413 313 Q HA 0.563 4.903 4.340 -0.000 0.000 0.276 313 Q C -1.250 174.698 176.000 -0.086 0.000 1.099 313 Q CA -0.849 54.894 55.803 -0.099 0.000 0.814 313 Q CB 2.522 31.222 28.738 -0.062 0.000 1.379 313 Q HN 0.616 nan 8.270 nan 0.000 0.436 314 I N 1.740 122.273 120.570 -0.063 0.000 2.382 314 I HA 0.480 4.650 4.170 -0.000 0.000 0.285 314 I C -0.543 175.560 176.117 -0.023 0.000 1.007 314 I CA -0.488 60.787 61.300 -0.043 0.000 1.142 314 I CB 0.860 38.838 38.000 -0.037 0.000 1.289 314 I HN 0.592 nan 8.210 nan 0.000 0.453 315 A N 6.057 128.865 122.820 -0.020 0.000 2.288 315 A HA 0.606 4.926 4.320 -0.000 0.000 0.320 315 A C -0.586 176.996 177.584 -0.004 0.000 1.217 315 A CA -0.310 51.721 52.037 -0.010 0.000 0.840 315 A CB 0.705 19.697 19.000 -0.013 0.000 1.179 315 A HN 0.747 nan 8.150 nan 0.000 0.504 316 C N 3.131 122.432 119.300 0.003 0.000 2.321 316 C HA 0.726 5.186 4.460 -0.000 0.000 0.323 316 C C 1.332 176.325 174.990 0.005 0.000 1.191 316 C CA 0.458 59.480 59.018 0.006 0.000 1.455 316 C CB -0.277 27.471 27.740 0.013 0.000 2.083 316 C HN 1.746 nan 8.230 nan 0.000 0.442 317 G N 4.766 113.568 108.800 0.003 0.000 2.622 317 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.307 317 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.307 317 G C 0.464 175.364 174.900 0.001 0.000 1.226 317 G CA 1.009 46.111 45.100 0.002 0.000 0.997 317 G HN 0.822 nan 8.290 nan 0.000 0.551 318 D N 0.924 121.325 120.400 0.002 0.000 2.368 318 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 318 D C 0.964 177.265 176.300 0.002 0.000 1.112 318 D CA -0.036 53.965 54.000 0.001 0.000 0.834 318 D CB -0.119 40.681 40.800 0.000 0.000 0.953 318 D HN 0.654 nan 8.370 nan 0.000 0.505 319 R N 0.725 121.228 120.500 0.005 0.000 2.254 319 R HA 0.322 4.662 4.340 -0.000 0.000 0.318 319 R C -0.093 176.211 176.300 0.008 0.000 1.031 319 R CA -0.759 55.347 56.100 0.009 0.000 0.905 319 R CB 1.391 31.700 30.300 0.015 0.000 1.050 319 R HN 0.062 nan 8.270 nan 0.000 0.456 320 I N 5.411 125.985 120.570 0.006 0.000 2.311 320 I HA -0.042 4.128 4.170 -0.000 0.000 0.297 320 I C 1.689 177.813 176.117 0.013 0.000 1.131 320 I CA 0.149 61.450 61.300 0.001 0.000 1.289 320 I CB 0.428 38.425 38.000 -0.005 0.000 1.446 320 I HN 0.583 nan 8.210 nan 0.000 0.524 321 V N 3.409 123.335 119.914 0.019 0.000 2.871 321 V HA 0.363 4.483 4.120 -0.000 0.000 0.256 321 V C 0.863 176.980 176.094 0.038 0.000 1.082 321 V CA 0.780 63.107 62.300 0.046 0.000 1.105 321 V CB -0.296 31.564 31.823 0.063 0.000 0.713 321 V HN 0.684 nan 8.190 nan 0.000 0.473 322 A N -0.312 122.507 122.820 -0.001 0.000 2.547 322 A HA 0.773 5.093 4.320 -0.000 0.000 0.297 322 A C -0.927 176.627 177.584 -0.050 0.000 1.056 322 A CA -0.480 51.537 52.037 -0.034 0.000 0.688 322 A CB 1.987 20.952 19.000 -0.058 0.000 1.282 322 A HN 0.292 nan 8.150 nan 0.000 0.400 323 E N 0.833 120.999 120.200 -0.057 0.000 2.356 323 E HA 0.588 4.938 4.350 -0.000 0.000 0.275 323 E C -1.828 174.729 176.600 -0.072 0.000 0.904 323 E CA -0.348 56.011 56.400 -0.067 0.000 0.757 323 E CB 2.274 31.949 29.700 -0.043 0.000 1.232 323 E HN 0.678 nan 8.360 nan 0.000 0.442 324 Q N 1.243 120.991 119.800 -0.088 0.000 2.309 324 Q HA 0.498 4.838 4.340 -0.000 0.000 0.273 324 Q C -1.931 174.056 176.000 -0.020 0.000 1.040 324 Q CA -0.381 55.381 55.803 -0.069 0.000 0.834 324 Q CB 2.127 30.840 28.738 -0.042 0.000 1.345 324 Q HN 0.334 nan 8.270 nan 0.000 0.414 325 S N 2.671 118.315 115.700 -0.094 0.000 2.536 325 S HA 0.727 5.197 4.470 -0.000 0.000 0.298 325 S C -1.477 172.967 174.600 -0.259 0.000 1.083 325 S CA -0.632 57.553 58.200 -0.026 0.000 0.995 325 S CB 0.826 64.035 63.200 0.015 0.000 1.058 325 S HN 0.578 nan 8.310 nan 0.000 0.488 326 H N 1.193 120.339 119.070 0.128 0.000 2.851 326 H HA 0.398 4.954 4.556 0.000 0.000 0.372 326 H C -0.529 174.824 175.328 0.042 0.000 1.158 326 H CA -0.705 55.330 56.048 -0.022 0.000 1.159 326 H CB 1.335 30.970 29.762 -0.213 0.000 1.757 326 H HN 0.424 nan 8.280 nan 0.000 0.546 327 R N 1.819 122.405 120.500 0.145 0.000 2.340 327 R HA 0.349 4.689 4.340 -0.000 0.000 0.300 327 R C -0.256 176.074 176.300 0.051 0.000 1.069 327 R CA -0.530 55.654 56.100 0.140 0.000 0.984 327 R CB 0.806 31.177 30.300 0.119 0.000 1.003 327 R HN 0.307 nan 8.270 nan 0.000 0.459 328 I N 1.829 122.462 120.570 0.105 0.000 2.465 328 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 328 I C 0.575 176.741 176.117 0.081 0.000 1.014 328 I CA -0.536 60.724 61.300 -0.067 0.000 1.093 328 I CB 1.701 39.441 38.000 -0.432 0.000 1.267 328 I HN 0.670 nan 8.210 nan 0.000 0.431 329 G N 6.734 115.485 108.800 -0.082 0.000 2.368 329 G HA2 0.616 4.576 3.960 -0.000 0.000 0.320 329 G HA3 0.616 4.576 3.960 -0.000 0.000 0.320 329 G C -0.612 174.285 174.900 -0.006 0.000 1.158 329 G CA -0.502 44.603 45.100 0.009 0.000 0.912 329 G HN 0.480 nan 8.290 nan 0.000 0.456 330 L N 4.298 125.620 121.223 0.165 0.000 2.268 330 L HA 0.575 4.915 4.340 -0.000 0.000 0.289 330 L C 0.415 177.382 176.870 0.161 0.000 1.064 330 L CA -0.733 54.159 54.840 0.087 0.000 0.824 330 L CB 0.196 42.300 42.059 0.075 0.000 1.202 330 L HN 0.620 nan 8.230 nan 0.000 0.433 331 R N 1.673 122.231 120.500 0.097 0.000 2.712 331 R HA 0.497 4.837 4.340 -0.000 0.000 0.272 331 R C -1.135 175.218 176.300 0.087 0.000 1.032 331 R CA -0.718 55.478 56.100 0.160 0.000 0.874 331 R CB 1.154 31.637 30.300 0.304 0.000 1.256 331 R HN 0.363 nan 8.270 nan 0.000 0.468 332 T N -0.741 113.882 114.554 0.115 0.000 2.859 332 T HA 0.749 5.099 4.350 -0.000 0.000 0.281 332 T C 0.320 175.089 174.700 0.115 0.000 1.005 332 T CA -0.758 61.392 62.100 0.084 0.000 1.025 332 T CB 0.938 69.848 68.868 0.069 0.000 0.977 332 T HN 0.474 nan 8.240 nan 0.000 0.458 333 I N 2.207 122.825 120.570 0.079 0.000 2.499 333 I HA 0.521 4.691 4.170 -0.000 0.000 0.288 333 I C -0.154 175.977 176.117 0.025 0.000 1.048 333 I CA -0.896 60.462 61.300 0.097 0.000 1.062 333 I CB 2.242 40.307 38.000 0.109 0.000 1.238 333 I HN 0.615 nan 8.210 nan 0.000 0.426 334 R N 5.780 126.262 120.500 -0.030 0.000 2.514 334 R HA 0.574 4.914 4.340 -0.000 0.000 0.296 334 R C -1.786 174.282 176.300 -0.386 0.000 1.012 334 R CA -0.531 55.473 56.100 -0.160 0.000 0.897 334 R CB 2.117 32.342 30.300 -0.125 0.000 1.184 334 R HN 0.423 nan 8.270 nan 0.000 0.440 335 V N 5.356 124.890 119.914 -0.633 0.000 2.408 335 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 335 V C 0.006 175.429 176.094 -1.117 0.000 1.047 335 V CA -0.466 61.104 62.300 -1.217 0.000 0.937 335 V CB 1.362 32.061 31.823 -1.873 0.000 0.999 335 V HN 0.463 nan 8.190 nan 0.000 0.472 336 V N 5.766 124.985 119.914 -1.158 0.000 2.348 336 V HA 0.342 4.462 4.120 -0.000 0.000 0.270 336 V C 0.406 176.010 176.094 -0.817 0.000 1.037 336 V CA -0.358 61.374 62.300 -0.946 0.000 0.872 336 V CB 0.916 32.017 31.823 -1.202 0.000 1.002 336 V HN 0.947 nan 8.190 nan 0.000 0.464 337 N N 4.563 122.939 118.700 -0.541 0.000 2.716 337 N HA 0.349 5.089 4.740 -0.000 0.000 0.253 337 N C -0.860 174.597 175.510 -0.088 0.000 1.170 337 N CA -0.294 52.586 53.050 -0.284 0.000 0.807 337 N CB 1.164 39.458 38.487 -0.320 0.000 1.183 337 N HN 0.748 nan 8.380 nan 0.000 0.524 338 E N 1.494 121.682 120.200 -0.020 0.000 2.317 338 E HA 0.274 4.624 4.350 -0.000 0.000 0.270 338 E C -0.897 175.748 176.600 0.075 0.000 0.885 338 E CA -0.843 55.569 56.400 0.021 0.000 0.760 338 E CB 2.493 32.195 29.700 0.003 0.000 1.227 338 E HN 0.264 nan 8.360 nan 0.000 0.434 339 K N 2.282 122.728 120.400 0.076 0.000 2.448 339 K HA 0.035 4.355 4.320 -0.000 0.000 0.278 339 K C -0.438 176.211 176.600 0.083 0.000 1.009 339 K CA 0.625 56.964 56.287 0.087 0.000 0.995 339 K CB 0.233 32.779 32.500 0.076 0.000 0.917 339 K HN 0.476 nan 8.250 nan 0.000 0.481 340 D N 0.442 120.896 120.400 0.090 0.000 2.812 340 D HA 0.033 4.672 4.640 -0.000 0.000 0.318 340 D C 0.342 176.696 176.300 0.089 0.000 1.234 340 D CA -0.854 53.198 54.000 0.087 0.000 0.989 340 D CB 0.210 41.067 40.800 0.095 0.000 1.442 340 D HN 0.349 nan 8.370 nan 0.000 0.537 341 K N -0.873 119.582 120.400 0.091 0.000 2.280 341 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 341 K C 0.113 176.784 176.600 0.119 0.000 1.047 341 K CA 1.336 57.681 56.287 0.096 0.000 0.942 341 K CB -0.179 32.377 32.500 0.094 0.000 0.739 341 K HN 0.234 nan 8.250 nan 0.000 0.457 342 D N -0.084 120.395 120.400 0.131 0.000 2.379 342 D HA 0.129 4.768 4.640 -0.000 0.000 0.208 342 D C 1.003 177.389 176.300 0.143 0.000 1.065 342 D CA 0.909 55.017 54.000 0.179 0.000 0.848 342 D CB 1.337 42.262 40.800 0.208 0.000 0.949 342 D HN 0.520 nan 8.370 nan 0.000 0.509 343 G N 0.975 109.841 108.800 0.110 0.000 1.695 343 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.089 343 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.089 343 G C -1.034 173.936 174.900 0.116 0.000 1.061 343 G CA -0.694 44.472 45.100 0.111 0.000 1.207 343 G HN 0.138 nan 8.290 nan 0.000 0.389 344 E N 1.125 121.403 120.200 0.129 0.000 2.281 344 E HA 0.513 4.863 4.350 -0.000 0.000 0.266 344 E C -0.111 176.601 176.600 0.186 0.000 0.893 344 E CA -0.095 56.410 56.400 0.175 0.000 0.798 344 E CB 2.064 31.926 29.700 0.269 0.000 1.245 344 E HN 0.732 nan 8.360 nan 0.000 0.410 345 S N 2.309 118.110 115.700 0.169 0.000 2.580 345 S HA 0.307 4.776 4.470 -0.000 0.000 0.266 345 S C -0.212 174.558 174.600 0.283 0.000 1.354 345 S CA -0.280 58.050 58.200 0.217 0.000 1.008 345 S CB 0.547 63.916 63.200 0.282 0.000 0.898 345 S HN 0.516 nan 8.310 nan 0.000 0.555 346 F N 2.950 122.982 119.950 0.136 0.000 3.164 346 F HA 0.493 5.020 4.527 0.000 0.000 0.375 346 F C -1.242 174.601 175.800 0.071 0.000 1.257 346 F CA -0.733 57.252 58.000 -0.025 0.000 1.171 346 F CB 0.738 39.767 39.000 0.049 0.000 1.588 346 F HN 0.827 nan 8.300 nan 0.000 0.604 347 Y N 2.118 122.219 120.300 -0.332 0.000 2.655 347 Y HA 0.757 5.307 4.550 -0.000 0.000 0.336 347 Y C -2.061 173.552 175.900 -0.477 0.000 1.154 347 Y CA -2.235 55.783 58.100 -0.136 0.000 1.055 347 Y CB 1.074 39.590 38.460 0.094 0.000 1.295 347 Y HN 0.206 nan 8.280 nan 0.000 0.465 348 F N 1.448 121.447 119.950 0.083 0.000 2.420 348 F HA 0.419 4.946 4.527 -0.000 0.000 0.342 348 F C 0.140 176.038 175.800 0.164 0.000 1.113 348 F CA -0.531 57.457 58.000 -0.020 0.000 1.059 348 F CB 1.719 40.739 39.000 0.032 0.000 1.128 348 F HN 0.578 nan 8.300 nan 0.000 0.475 349 E N 3.404 123.715 120.200 0.185 0.000 2.165 349 E HA 0.534 4.884 4.350 -0.000 0.000 0.266 349 E C -1.834 174.914 176.600 0.246 0.000 0.889 349 E CA -0.536 56.017 56.400 0.255 0.000 0.756 349 E CB 1.705 31.494 29.700 0.149 0.000 1.131 349 E HN 0.457 nan 8.360 nan 0.000 0.411 350 V N 5.319 125.438 119.914 0.343 0.000 2.409 350 V HA 0.221 4.341 4.120 -0.000 0.000 0.291 350 V C 0.121 176.424 176.094 0.349 0.000 1.020 350 V CA -0.931 61.580 62.300 0.352 0.000 0.848 350 V CB 1.358 33.419 31.823 0.397 0.000 0.990 350 V HN 0.858 nan 8.190 nan 0.000 0.430 351 N N 3.956 122.807 118.700 0.251 0.000 2.721 351 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 351 N C 1.231 176.824 175.510 0.137 0.000 1.072 351 N CA 1.490 54.651 53.050 0.185 0.000 0.710 351 N CB -0.974 37.632 38.487 0.198 0.000 0.993 351 N HN 1.557 nan 8.380 nan 0.000 0.547 352 G N -1.246 107.638 108.800 0.140 0.000 2.184 352 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 352 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 352 G C 0.104 175.084 174.900 0.132 0.000 0.975 352 G CA 0.565 45.733 45.100 0.113 0.000 0.642 352 G HN 0.525 nan 8.290 nan 0.000 0.536 353 I N 1.677 122.357 120.570 0.183 0.000 2.339 353 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 353 I C -2.219 174.129 176.117 0.385 0.000 0.994 353 I CA -2.654 58.764 61.300 0.196 0.000 1.191 353 I CB 2.006 40.000 38.000 -0.010 0.000 1.343 353 I HN -0.206 nan 8.210 nan 0.000 0.458 354 P HA 0.066 nan 4.420 nan 0.000 0.263 354 P C -0.716 176.871 177.300 0.478 0.000 1.195 354 P CA 0.097 63.431 63.100 0.390 0.000 0.762 354 P CB 0.443 32.246 31.700 0.172 0.000 0.799 355 M N 5.496 125.360 119.600 0.441 0.000 2.078 355 M HA 0.361 4.841 4.480 -0.000 0.000 0.320 355 M C -1.085 175.343 176.300 0.214 0.000 0.969 355 M CA -1.143 54.308 55.300 0.252 0.000 0.929 355 M CB 0.561 33.127 32.600 -0.058 0.000 1.504 355 M HN 0.133 nan 8.290 nan 0.000 0.419 356 F N 4.351 124.336 119.950 0.059 0.000 2.541 356 F HA 0.445 4.972 4.527 -0.000 0.000 0.378 356 F C 0.133 175.882 175.800 -0.085 0.000 1.068 356 F CA -0.131 57.887 58.000 0.029 0.000 1.199 356 F CB 0.579 39.579 39.000 -0.001 0.000 1.091 356 F HN 0.668 nan 8.300 nan 0.000 0.555 357 A N 6.975 129.557 122.820 -0.397 0.000 2.363 357 A HA 0.488 4.808 4.320 -0.000 0.000 0.270 357 A C -0.620 176.723 177.584 -0.401 0.000 1.121 357 A CA -0.579 51.272 52.037 -0.309 0.000 0.800 357 A CB 0.306 19.264 19.000 -0.069 0.000 1.052 357 A HN 0.818 nan 8.150 nan 0.000 0.493 358 K N 1.965 122.104 120.400 -0.435 0.000 2.613 358 K HA 0.610 4.930 4.320 -0.000 0.000 0.248 358 K C 0.075 176.257 176.600 -0.697 0.000 0.959 358 K CA -0.080 55.679 56.287 -0.879 0.000 0.855 358 K CB 2.134 33.751 32.500 -1.472 0.000 1.143 358 K HN 1.059 nan 8.250 nan 0.000 0.437 359 G N 1.081 109.672 108.800 -0.348 0.000 2.435 359 G HA2 0.706 4.666 3.960 -0.000 0.000 0.228 359 G HA3 0.706 4.666 3.960 -0.000 0.000 0.228 359 G C -1.786 172.951 174.900 -0.272 0.000 1.198 359 G CA -0.088 44.905 45.100 -0.179 0.000 0.948 359 G HN 0.651 nan 8.290 nan 0.000 0.487 360 A N -0.978 121.578 122.820 -0.440 0.000 2.599 360 A HA 0.743 5.063 4.320 -0.000 0.000 0.290 360 A C -1.330 175.946 177.584 -0.514 0.000 1.101 360 A CA -0.700 50.887 52.037 -0.750 0.000 0.674 360 A CB 0.995 19.240 19.000 -1.258 0.000 1.277 360 A HN 0.576 nan 8.150 nan 0.000 0.419 361 N N 0.757 119.096 118.700 -0.601 0.000 2.444 361 N HA 0.338 5.078 4.740 -0.000 0.000 0.271 361 N C -1.503 173.622 175.510 -0.641 0.000 1.069 361 N CA 0.259 52.981 53.050 -0.548 0.000 0.965 361 N CB 1.327 39.417 38.487 -0.661 0.000 1.092 361 N HN 0.637 nan 8.380 nan 0.000 0.476 362 Y N 3.699 123.694 120.300 -0.508 0.000 2.342 362 Y HA 0.479 5.029 4.550 0.000 0.000 0.334 362 Y C -0.051 175.590 175.900 -0.431 0.000 1.067 362 Y CA -0.858 56.965 58.100 -0.462 0.000 1.128 362 Y CB 0.650 38.953 38.460 -0.262 0.000 1.200 362 Y HN 0.453 nan 8.280 nan 0.000 0.464 363 I N 3.608 123.480 120.570 -1.165 0.000 3.133 363 I HA 0.762 4.932 4.170 -0.000 0.000 0.311 363 I C -2.803 172.566 176.117 -1.246 0.000 1.072 363 I CA -3.211 57.479 61.300 -1.017 0.000 1.015 363 I CB 1.863 39.120 38.000 -1.239 0.000 1.233 363 I HN 0.379 nan 8.210 nan 0.000 0.473 364 P HA 0.125 nan 4.420 nan 0.000 0.269 364 P C -0.646 176.379 177.300 -0.458 0.000 1.209 364 P CA 0.032 62.767 63.100 -0.609 0.000 0.776 364 P CB 0.466 31.733 31.700 -0.722 0.000 0.876 365 Q N 0.232 119.886 119.800 -0.243 0.000 2.444 365 Q HA 0.070 4.410 4.340 -0.000 0.000 0.206 365 Q C 0.118 176.156 176.000 0.063 0.000 0.948 365 Q CA 0.780 56.492 55.803 -0.152 0.000 0.946 365 Q CB 0.288 28.926 28.738 -0.166 0.000 1.027 365 Q HN 0.490 nan 8.270 nan 0.000 0.513 366 D N -2.350 118.135 120.400 0.141 0.000 2.663 366 D HA 0.216 4.856 4.640 -0.000 0.000 0.233 366 D C -0.464 176.041 176.300 0.342 0.000 1.240 366 D CA -0.065 54.127 54.000 0.320 0.000 0.774 366 D CB 1.473 42.470 40.800 0.328 0.000 1.443 366 D HN -0.067 nan 8.370 nan 0.000 0.441 367 A N 2.150 125.175 122.820 0.343 0.000 2.019 367 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 367 A C 0.997 178.635 177.584 0.091 0.000 1.164 367 A CA 0.953 53.114 52.037 0.206 0.000 0.644 367 A CB -0.099 18.995 19.000 0.156 0.000 0.805 367 A HN 0.457 nan 8.150 nan 0.000 0.449 368 L N 0.520 121.831 121.223 0.145 0.000 2.337 368 L HA 0.299 4.639 4.340 -0.000 0.000 0.269 368 L C 0.613 177.574 176.870 0.153 0.000 1.018 368 L CA -0.503 54.377 54.840 0.066 0.000 0.876 368 L CB 1.340 43.402 42.059 0.005 0.000 1.236 368 L HN 0.223 nan 8.230 nan 0.000 0.436 369 L N 3.251 124.590 121.223 0.192 0.000 2.013 369 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 369 L C -0.446 176.602 176.870 0.298 0.000 1.073 369 L CA 1.607 56.626 54.840 0.299 0.000 0.753 369 L CB -1.157 41.160 42.059 0.430 0.000 0.890 369 L HN 0.523 nan 8.230 nan 0.000 0.432 370 P HA -0.056 nan 4.420 nan 0.000 0.230 370 P C 0.748 178.136 177.300 0.145 0.000 1.158 370 P CA 0.842 64.054 63.100 0.187 0.000 0.769 370 P CB -0.071 31.700 31.700 0.118 0.000 0.807 371 N N -0.772 118.012 118.700 0.140 0.000 2.453 371 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 371 N C 0.127 175.722 175.510 0.142 0.000 1.041 371 N CA 0.501 53.628 53.050 0.127 0.000 0.900 371 N CB -0.568 37.996 38.487 0.130 0.000 0.961 371 N HN 0.039 nan 8.380 nan 0.000 0.443 372 V N 2.432 122.448 119.914 0.170 0.000 2.415 372 V HA 0.071 4.191 4.120 -0.000 0.000 0.267 372 V C 0.838 177.067 176.094 0.227 0.000 1.042 372 V CA -0.426 61.957 62.300 0.138 0.000 1.000 372 V CB 0.049 31.914 31.823 0.069 0.000 1.015 372 V HN 0.240 nan 8.190 nan 0.000 0.478 373 T N 1.317 115.974 114.554 0.173 0.000 2.849 373 T HA 0.132 4.482 4.350 -0.000 0.000 0.284 373 T C 1.428 176.305 174.700 0.295 0.000 1.004 373 T CA 0.011 62.228 62.100 0.195 0.000 1.021 373 T CB 1.081 70.024 68.868 0.125 0.000 1.013 373 T HN 0.576 nan 8.240 nan 0.000 0.527 374 T N 1.387 116.078 114.554 0.229 0.000 2.653 374 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 374 T C 1.778 176.601 174.700 0.204 0.000 1.035 374 T CA 2.106 64.330 62.100 0.207 0.000 1.154 374 T CB -0.521 68.408 68.868 0.103 0.000 0.862 374 T HN 0.762 nan 8.240 nan 0.000 0.441 375 E N 0.675 120.961 120.200 0.143 0.000 2.118 375 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 375 E C 2.401 179.067 176.600 0.111 0.000 0.992 375 E CA 1.003 57.469 56.400 0.109 0.000 0.804 375 E CB -0.182 29.566 29.700 0.080 0.000 0.741 375 E HN 0.402 nan 8.360 nan 0.000 0.458 376 R N -0.913 119.649 120.500 0.104 0.000 2.075 376 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 376 R C 2.062 178.383 176.300 0.034 0.000 1.126 376 R CA 1.154 57.270 56.100 0.026 0.000 0.963 376 R CB -0.309 29.963 30.300 -0.048 0.000 0.858 376 R HN 0.252 nan 8.270 nan 0.000 0.435 377 Y N 1.098 121.468 120.300 0.117 0.000 2.145 377 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 377 Y C 2.533 178.544 175.900 0.185 0.000 1.145 377 Y CA 1.564 59.768 58.100 0.173 0.000 1.148 377 Y CB -0.215 38.344 38.460 0.164 0.000 0.981 377 Y HN 0.096 nan 8.280 nan 0.000 0.507 378 Q N -0.925 119.040 119.800 0.275 0.000 2.096 378 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 378 Q C 2.153 178.254 176.000 0.168 0.000 0.982 378 Q CA 2.172 58.085 55.803 0.183 0.000 0.850 378 Q CB -0.381 28.424 28.738 0.112 0.000 0.901 378 Q HN 0.410 nan 8.270 nan 0.000 0.422 379 T N 1.095 115.723 114.554 0.124 0.000 2.821 379 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 379 T C 1.669 176.406 174.700 0.063 0.000 1.046 379 T CA 0.719 62.872 62.100 0.088 0.000 1.139 379 T CB -0.179 68.724 68.868 0.058 0.000 0.871 379 T HN 0.087 nan 8.240 nan 0.000 0.454 380 L N 0.524 121.761 121.223 0.023 0.000 2.046 380 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 380 L C 1.892 178.637 176.870 -0.208 0.000 1.077 380 L CA 1.621 56.395 54.840 -0.111 0.000 0.747 380 L CB -0.957 41.009 42.059 -0.156 0.000 0.896 380 L HN 0.201 nan 8.230 nan 0.000 0.432 381 F N -0.261 119.631 119.950 -0.096 0.000 2.126 381 F HA -0.219 4.308 4.527 0.000 0.000 0.299 381 F C 2.768 178.542 175.800 -0.043 0.000 1.096 381 F CA 1.806 59.734 58.000 -0.119 0.000 1.255 381 F CB -0.492 38.407 39.000 -0.168 0.000 0.997 381 F HN 0.070 nan 8.300 nan 0.000 0.479 382 R N 0.666 121.260 120.500 0.156 0.000 2.096 382 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 382 R C 1.857 178.255 176.300 0.163 0.000 1.139 382 R CA 2.194 58.378 56.100 0.140 0.000 0.952 382 R CB -0.458 29.921 30.300 0.132 0.000 0.854 382 R HN 0.171 nan 8.270 nan 0.000 0.436 383 D N 0.089 120.570 120.400 0.136 0.000 2.123 383 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 383 D C 1.956 178.304 176.300 0.081 0.000 0.992 383 D CA 1.584 55.667 54.000 0.137 0.000 0.833 383 D CB -0.146 40.575 40.800 -0.132 0.000 0.954 383 D HN 0.394 nan 8.370 nan 0.000 0.455 384 M N 0.156 119.728 119.600 -0.048 0.000 2.156 384 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 384 M C 2.261 178.563 176.300 0.004 0.000 1.067 384 M CA 1.014 56.275 55.300 -0.065 0.000 1.131 384 M CB -0.117 32.336 32.600 -0.246 0.000 1.368 384 M HN -0.121 nan 8.290 nan 0.000 0.416 385 K N 0.903 121.326 120.400 0.039 0.000 2.026 385 K HA -0.182 4.137 4.320 -0.000 0.000 0.208 385 K C 1.625 178.280 176.600 0.090 0.000 1.048 385 K CA 1.593 57.915 56.287 0.057 0.000 0.929 385 K CB 0.001 32.546 32.500 0.075 0.000 0.713 385 K HN 0.345 nan 8.250 nan 0.000 0.439 386 E N -0.418 119.876 120.200 0.157 0.000 2.268 386 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 386 E C 1.311 178.037 176.600 0.209 0.000 0.995 386 E CA 0.754 57.289 56.400 0.224 0.000 0.836 386 E CB 0.041 29.957 29.700 0.360 0.000 0.763 386 E HN 0.369 nan 8.360 nan 0.000 0.491 387 A N 1.111 123.996 122.820 0.108 0.000 2.302 387 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 387 A C 0.277 177.918 177.584 0.094 0.000 1.243 387 A CA -0.087 51.931 52.037 -0.032 0.000 0.856 387 A CB -0.101 18.655 19.000 -0.407 0.000 0.893 387 A HN 0.207 nan 8.150 nan 0.000 0.491 388 N N -1.459 117.297 118.700 0.094 0.000 2.800 388 N HA -0.159 4.581 4.740 -0.000 0.000 0.250 388 N C -0.153 175.359 175.510 0.003 0.000 1.078 388 N CA 1.263 54.359 53.050 0.077 0.000 0.804 388 N CB -1.726 36.839 38.487 0.129 0.000 1.135 388 N HN 0.636 nan 8.380 nan 0.000 0.565 389 M N 0.885 120.481 119.600 -0.005 0.000 2.248 389 M HA 0.022 4.501 4.480 -0.000 0.000 0.337 389 M C 1.424 177.618 176.300 -0.177 0.000 1.121 389 M CA 0.646 55.864 55.300 -0.137 0.000 1.155 389 M CB 0.246 32.789 32.600 -0.094 0.000 1.514 389 M HN 0.177 nan 8.290 nan 0.000 0.452 390 N N 1.719 120.269 118.700 -0.251 0.000 2.160 390 N HA 0.282 5.022 4.740 -0.000 0.000 0.226 390 N C -0.647 174.748 175.510 -0.190 0.000 1.256 390 N CA -0.228 52.688 53.050 -0.223 0.000 0.890 390 N CB 0.748 39.052 38.487 -0.305 0.000 1.116 390 N HN 0.714 nan 8.380 nan 0.000 0.517 391 M N 0.366 119.850 119.600 -0.194 0.000 2.413 391 M HA 0.488 4.968 4.480 -0.000 0.000 0.287 391 M C -2.151 174.063 176.300 -0.143 0.000 1.186 391 M CA -0.874 54.333 55.300 -0.156 0.000 0.927 391 M CB 2.453 34.942 32.600 -0.184 0.000 1.715 391 M HN -0.162 nan 8.290 nan 0.000 0.478 392 V N 4.093 123.950 119.914 -0.094 0.000 2.735 392 V HA 0.683 4.803 4.120 -0.000 0.000 0.310 392 V C -1.397 174.674 176.094 -0.037 0.000 1.061 392 V CA -0.620 61.614 62.300 -0.109 0.000 0.913 392 V CB 2.307 34.050 31.823 -0.134 0.000 1.005 392 V HN 0.973 nan 8.190 nan 0.000 0.428 393 R N 5.954 126.390 120.500 -0.107 0.000 2.255 393 R HA 0.563 4.903 4.340 -0.000 0.000 0.326 393 R C -0.874 175.414 176.300 -0.019 0.000 0.986 393 R CA -0.557 55.467 56.100 -0.126 0.000 0.847 393 R CB 0.996 31.018 30.300 -0.463 0.000 1.111 393 R HN 0.776 nan 8.270 nan 0.000 0.452 394 I N 6.014 126.613 120.570 0.048 0.000 2.278 394 I HA 0.097 4.267 4.170 -0.000 0.000 0.296 394 I C -0.039 176.157 176.117 0.132 0.000 1.121 394 I CA -0.491 60.850 61.300 0.068 0.000 1.267 394 I CB 0.083 38.027 38.000 -0.093 0.000 1.447 394 I HN 0.619 nan 8.210 nan 0.000 0.509 395 W N 6.072 127.339 121.300 -0.054 0.000 2.158 395 W HA 0.306 4.966 4.660 -0.000 0.000 0.339 395 W C 1.249 177.747 176.519 -0.035 0.000 1.294 395 W CA -0.446 56.907 57.345 0.013 0.000 1.231 395 W CB 0.923 30.462 29.460 0.133 0.000 1.143 395 W HN 0.531 nan 8.180 nan 0.000 0.571 396 G N 2.771 111.160 108.800 -0.684 0.000 3.061 396 G HA2 0.088 4.048 3.960 -0.000 0.000 0.208 396 G HA3 0.088 4.048 3.960 -0.000 0.000 0.208 396 G C 0.884 175.191 174.900 -0.988 0.000 1.175 396 G CA 0.267 44.975 45.100 -0.653 0.000 0.812 396 G HN 0.860 nan 8.290 nan 0.000 0.523 397 G N -0.549 107.083 108.800 -1.947 0.000 3.233 397 G HA2 0.447 4.407 3.960 -0.000 0.000 0.234 397 G HA3 0.447 4.407 3.960 -0.000 0.000 0.234 397 G C 0.772 175.333 174.900 -0.565 0.000 1.137 397 G CA 0.592 44.810 45.100 -1.469 0.000 0.763 397 G HN 0.495 nan 8.290 nan 0.000 0.549 398 G N 0.136 108.694 108.800 -0.404 0.000 3.392 398 G HA2 0.529 4.489 3.960 -0.000 0.000 0.188 398 G HA3 0.529 4.489 3.960 -0.000 0.000 0.188 398 G C 0.072 174.901 174.900 -0.117 0.000 1.485 398 G CA 0.562 45.548 45.100 -0.189 0.000 0.943 398 G HN 0.600 nan 8.290 nan 0.000 0.627 399 T N -2.854 111.641 114.554 -0.099 0.000 2.906 399 T HA 0.549 4.899 4.350 -0.000 0.000 0.295 399 T C -1.135 173.471 174.700 -0.156 0.000 1.075 399 T CA -0.720 61.370 62.100 -0.016 0.000 1.005 399 T CB 1.498 70.580 68.868 0.357 0.000 1.136 399 T HN 0.284 nan 8.240 nan 0.000 0.498 400 Y N 1.706 122.010 120.300 0.006 0.000 2.677 400 Y HA 0.252 4.802 4.550 0.000 0.000 0.335 400 Y C 1.459 177.475 175.900 0.193 0.000 1.162 400 Y CA -0.282 57.861 58.100 0.073 0.000 1.483 400 Y CB 0.054 38.566 38.460 0.087 0.000 1.209 400 Y HN 0.531 nan 8.280 nan 0.000 0.528 401 E N 2.614 122.948 120.200 0.225 0.000 2.410 401 E HA -0.024 4.325 4.350 -0.000 0.000 0.255 401 E C 0.036 176.799 176.600 0.271 0.000 1.194 401 E CA -0.240 56.263 56.400 0.173 0.000 0.955 401 E CB 0.395 29.895 29.700 -0.333 0.000 0.988 401 E HN 0.747 nan 8.360 nan 0.000 0.461 402 N N 0.832 119.665 118.700 0.223 0.000 2.347 402 N HA -0.009 4.731 4.740 -0.000 0.000 0.253 402 N C 0.527 176.111 175.510 0.123 0.000 1.274 402 N CA -0.250 52.867 53.050 0.111 0.000 0.941 402 N CB 0.187 38.667 38.487 -0.012 0.000 1.200 402 N HN 0.191 nan 8.380 nan 0.000 0.514 403 N N -0.463 118.270 118.700 0.056 0.000 2.166 403 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 403 N C 1.446 176.974 175.510 0.031 0.000 1.019 403 N CA 0.596 53.696 53.050 0.084 0.000 0.856 403 N CB -0.555 37.975 38.487 0.071 0.000 0.993 403 N HN 0.552 nan 8.380 nan 0.000 0.426 404 L N 0.512 121.683 121.223 -0.086 0.000 2.013 404 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 404 L C 2.080 178.808 176.870 -0.236 0.000 1.073 404 L CA 1.413 56.138 54.840 -0.192 0.000 0.753 404 L CB -0.998 40.857 42.059 -0.340 0.000 0.890 404 L HN 0.091 nan 8.230 nan 0.000 0.432 405 F N -0.964 118.786 119.950 -0.334 0.000 2.065 405 F HA -0.353 4.174 4.527 -0.000 0.000 0.298 405 F C 2.149 177.694 175.800 -0.424 0.000 1.112 405 F CA 2.052 59.920 58.000 -0.219 0.000 1.212 405 F CB -0.463 38.518 39.000 -0.032 0.000 0.975 405 F HN 0.149 nan 8.300 nan 0.000 0.476 406 Y N 0.590 120.828 120.300 -0.103 0.000 2.242 406 Y HA -0.215 4.334 4.550 -0.000 0.000 0.291 406 Y C 2.384 177.997 175.900 -0.478 0.000 1.137 406 Y CA 1.629 59.467 58.100 -0.436 0.000 1.181 406 Y CB -0.696 37.145 38.460 -1.032 0.000 0.989 406 Y HN 0.069 nan 8.280 nan 0.000 0.527 407 D N -0.082 120.214 120.400 -0.173 0.000 2.117 407 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 407 D C 2.226 178.381 176.300 -0.241 0.000 0.987 407 D CA 1.204 55.169 54.000 -0.057 0.000 0.829 407 D CB -0.408 40.378 40.800 -0.024 0.000 0.961 407 D HN 0.291 nan 8.370 nan 0.000 0.460 408 L N 0.533 121.429 121.223 -0.545 0.000 2.056 408 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 408 L C 2.545 178.834 176.870 -0.969 0.000 1.078 408 L CA 1.080 55.391 54.840 -0.882 0.000 0.749 408 L CB -0.420 40.788 42.059 -1.419 0.000 0.901 408 L HN -0.027 nan 8.230 nan 0.000 0.433 409 A N 0.048 122.232 122.820 -1.060 0.000 1.883 409 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 409 A C 1.917 179.505 177.584 0.006 0.000 1.186 409 A CA 2.186 54.025 52.037 -0.330 0.000 0.624 409 A CB -0.629 18.250 19.000 -0.203 0.000 0.822 409 A HN 0.370 nan 8.150 nan 0.000 0.444 410 D N -0.197 120.221 120.400 0.030 0.000 2.104 410 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 410 D C 1.972 178.499 176.300 0.378 0.000 0.994 410 D CA 1.766 55.933 54.000 0.279 0.000 0.830 410 D CB -0.427 40.487 40.800 0.189 0.000 0.959 410 D HN 0.885 nan 8.370 nan 0.000 0.452 411 E N -0.361 119.910 120.200 0.119 0.000 2.478 411 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 411 E C 0.952 177.559 176.600 0.012 0.000 1.045 411 E CA 0.347 56.793 56.400 0.077 0.000 0.868 411 E CB -0.015 29.695 29.700 0.016 0.000 0.885 411 E HN 0.127 nan 8.360 nan 0.000 0.505 412 N N 0.645 119.346 118.700 0.001 0.000 2.205 412 N HA 0.067 4.806 4.740 -0.000 0.000 0.201 412 N C 0.512 176.003 175.510 -0.032 0.000 1.128 412 N CA 0.682 53.732 53.050 -0.000 0.000 0.867 412 N CB 1.366 39.888 38.487 0.060 0.000 0.996 412 N HN 0.362 nan 8.380 nan 0.000 0.503 413 G N 1.789 110.566 108.800 -0.038 0.000 2.246 413 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.273 413 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.273 413 G C -0.125 174.749 174.900 -0.043 0.000 1.055 413 G CA -0.047 44.896 45.100 -0.263 0.000 0.851 413 G HN 0.310 nan 8.290 nan 0.000 0.500 414 I N 0.295 120.957 120.570 0.152 0.000 2.330 414 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 414 I C 0.590 176.812 176.117 0.175 0.000 1.001 414 I CA -1.166 60.195 61.300 0.102 0.000 1.193 414 I CB 1.162 39.210 38.000 0.080 0.000 1.345 414 I HN -0.060 nan 8.210 nan 0.000 0.461 415 L N 7.344 128.636 121.223 0.116 0.000 2.461 415 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 415 L C -0.047 176.838 176.870 0.025 0.000 1.197 415 L CA 0.329 55.219 54.840 0.082 0.000 0.836 415 L CB 0.706 42.743 42.059 -0.037 0.000 1.105 415 L HN 0.257 nan 8.230 nan 0.000 0.477 416 V N 2.237 122.175 119.914 0.039 0.000 2.409 416 V HA 0.247 4.366 4.120 -0.000 0.000 0.291 416 V C -0.769 175.394 176.094 0.115 0.000 1.020 416 V CA -0.729 61.604 62.300 0.054 0.000 0.848 416 V CB 1.524 33.349 31.823 0.003 0.000 0.990 416 V HN 0.710 nan 8.190 nan 0.000 0.430 417 W N 5.999 127.269 121.300 -0.050 0.000 2.342 417 W HA 0.542 5.202 4.660 -0.000 0.000 0.310 417 W C -0.458 176.033 176.519 -0.047 0.000 1.128 417 W CA -1.034 56.312 57.345 0.001 0.000 1.322 417 W CB 1.355 30.870 29.460 0.091 0.000 1.251 417 W HN 0.633 nan 8.180 nan 0.000 0.439 418 Q N 4.815 124.708 119.800 0.155 0.000 2.400 418 Q HA 0.217 4.557 4.340 -0.000 0.000 0.255 418 Q C -0.876 175.206 176.000 0.136 0.000 1.008 418 Q CA -0.139 55.666 55.803 0.003 0.000 0.841 418 Q CB 0.606 29.055 28.738 -0.483 0.000 1.220 418 Q HN 0.290 nan 8.270 nan 0.000 0.474 419 D N 2.957 123.504 120.400 0.245 0.000 2.372 419 D HA 0.137 4.777 4.640 -0.000 0.000 0.243 419 D C -0.381 175.987 176.300 0.114 0.000 1.121 419 D CA 0.134 54.285 54.000 0.251 0.000 0.898 419 D CB 0.404 41.299 40.800 0.159 0.000 1.202 419 D HN 0.422 nan 8.370 nan 0.000 0.428 420 F N 0.816 121.000 119.950 0.390 0.000 2.490 420 F HA 0.066 4.593 4.527 -0.000 0.000 0.336 420 F C 1.499 177.252 175.800 -0.079 0.000 1.178 420 F CA -0.245 57.965 58.000 0.350 0.000 1.301 420 F CB 0.368 39.741 39.000 0.622 0.000 1.175 420 F HN 0.060 nan 8.300 nan 0.000 0.593 421 M N 3.891 123.256 119.600 -0.392 0.000 3.596 421 M HA 0.185 4.665 4.480 -0.000 0.000 0.219 421 M C -1.463 174.312 176.300 -0.874 0.000 1.471 421 M CA 0.363 55.194 55.300 -0.782 0.000 1.644 421 M CB -1.659 30.175 32.600 -1.276 0.000 1.083 421 M HN 0.289 nan 8.290 nan 0.000 0.579 422 F N 0.488 120.377 119.950 -0.102 0.000 2.547 422 F HA 0.716 5.243 4.527 -0.000 0.000 0.316 422 F C -0.132 175.705 175.800 0.062 0.000 1.121 422 F CA -1.040 56.911 58.000 -0.083 0.000 0.911 422 F CB 1.892 40.864 39.000 -0.048 0.000 1.179 422 F HN 0.314 nan 8.300 nan 0.000 0.443 423 A N 1.447 124.533 122.820 0.443 0.000 2.429 423 A HA 0.607 4.927 4.320 -0.000 0.000 0.289 423 A C 0.075 177.981 177.584 0.538 0.000 1.043 423 A CA -0.610 51.621 52.037 0.322 0.000 0.722 423 A CB 0.596 19.558 19.000 -0.062 0.000 1.243 423 A HN 1.091 nan 8.150 nan 0.000 0.415 424 C N 0.086 119.641 119.300 0.424 0.000 5.812 424 C HA -0.145 4.315 4.460 -0.000 0.000 0.308 424 C C 1.101 176.280 174.990 0.315 0.000 2.271 424 C CA 1.517 60.764 59.018 0.382 0.000 2.025 424 C CB -2.048 26.025 27.740 0.554 0.000 3.036 424 C HN 1.416 nan 8.230 nan 0.000 0.372 425 T N 2.282 116.993 114.554 0.261 0.000 2.885 425 T HA 0.600 4.950 4.350 -0.000 0.000 0.285 425 T C -2.549 172.243 174.700 0.154 0.000 1.019 425 T CA -1.375 60.810 62.100 0.141 0.000 1.010 425 T CB 1.988 70.788 68.868 -0.114 0.000 1.022 425 T HN 0.211 nan 8.240 nan 0.000 0.466 426 P HA 0.203 nan 4.420 nan 0.000 0.270 426 P C -1.260 176.100 177.300 0.100 0.000 1.223 426 P CA -0.063 63.217 63.100 0.300 0.000 0.785 426 P CB 0.481 32.328 31.700 0.245 0.000 0.923 427 Y N -0.505 119.896 120.300 0.168 0.000 2.630 427 Y HA 0.434 4.984 4.550 0.000 0.000 0.337 427 Y C -1.654 174.097 175.900 -0.247 0.000 1.051 427 Y CA -2.388 55.608 58.100 -0.172 0.000 1.121 427 Y CB 0.693 39.192 38.460 0.065 0.000 1.299 427 Y HN 0.263 nan 8.280 nan 0.000 0.498 428 P HA -0.004 nan 4.420 nan 0.000 0.270 428 P C -0.249 176.975 177.300 -0.127 0.000 1.221 428 P CA 0.461 63.329 63.100 -0.386 0.000 0.788 428 P CB 0.496 31.690 31.700 -0.844 0.000 0.904 429 S N -2.210 113.526 115.700 0.059 0.000 3.101 429 S HA 0.081 4.551 4.470 -0.000 0.000 0.252 429 S C -0.047 174.634 174.600 0.135 0.000 0.920 429 S CA -0.694 57.588 58.200 0.136 0.000 1.158 429 S CB -0.672 62.566 63.200 0.063 0.000 1.125 429 S HN 0.503 nan 8.310 nan 0.000 0.608 430 D N 1.667 122.161 120.400 0.158 0.000 2.382 430 D HA 0.142 4.782 4.640 -0.000 0.000 0.240 430 D C -1.889 174.500 176.300 0.148 0.000 1.146 430 D CA -0.981 53.103 54.000 0.139 0.000 0.897 430 D CB 0.705 41.588 40.800 0.139 0.000 1.197 430 D HN -0.037 nan 8.370 nan 0.000 0.432 431 P HA -0.190 nan 4.420 nan 0.000 0.216 431 P C 1.461 178.807 177.300 0.076 0.000 1.157 431 P CA 1.819 64.955 63.100 0.060 0.000 0.880 431 P CB -0.014 31.710 31.700 0.040 0.000 0.791 432 T N -1.335 113.284 114.554 0.108 0.000 2.708 432 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 432 T C 1.469 176.260 174.700 0.153 0.000 1.037 432 T CA 1.116 63.285 62.100 0.116 0.000 1.146 432 T CB -0.986 67.958 68.868 0.127 0.000 0.865 432 T HN 0.011 nan 8.240 nan 0.000 0.435 433 F N 1.680 121.670 119.950 0.066 0.000 2.102 433 F HA -0.007 4.520 4.527 0.000 0.000 0.298 433 F C 1.941 177.763 175.800 0.037 0.000 1.105 433 F CA 1.128 59.176 58.000 0.080 0.000 1.239 433 F CB -0.475 38.585 39.000 0.099 0.000 0.991 433 F HN 0.051 nan 8.300 nan 0.000 0.474 434 L N -0.221 121.029 121.223 0.046 0.000 2.191 434 L HA -0.207 4.132 4.340 -0.000 0.000 0.212 434 L C 2.340 179.121 176.870 -0.148 0.000 1.103 434 L CA 1.265 56.037 54.840 -0.113 0.000 0.769 434 L CB -0.655 41.368 42.059 -0.060 0.000 0.908 434 L HN 0.087 nan 8.230 nan 0.000 0.438 435 K N 0.505 120.858 120.400 -0.079 0.000 2.103 435 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 435 K C 2.175 178.720 176.600 -0.092 0.000 1.052 435 K CA 1.198 57.444 56.287 -0.068 0.000 0.945 435 K CB -0.003 32.484 32.500 -0.020 0.000 0.722 435 K HN 0.097 nan 8.250 nan 0.000 0.443 436 R N -0.475 119.956 120.500 -0.115 0.000 2.081 436 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 436 R C 2.133 178.336 176.300 -0.162 0.000 1.131 436 R CA 1.513 57.542 56.100 -0.118 0.000 0.960 436 R CB -0.488 29.738 30.300 -0.123 0.000 0.856 436 R HN 0.009 nan 8.270 nan 0.000 0.436 437 V N 1.125 120.869 119.914 -0.284 0.000 2.343 437 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 437 V C 2.279 178.275 176.094 -0.164 0.000 1.051 437 V CA 1.926 64.104 62.300 -0.205 0.000 1.036 437 V CB -0.501 31.152 31.823 -0.282 0.000 0.654 437 V HN 0.399 nan 8.190 nan 0.000 0.451 438 E N 0.232 120.324 120.200 -0.180 0.000 2.085 438 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 438 E C 2.246 178.764 176.600 -0.138 0.000 0.994 438 E CA 1.446 57.748 56.400 -0.163 0.000 0.801 438 E CB -0.217 29.404 29.700 -0.130 0.000 0.743 438 E HN 0.580 nan 8.360 nan 0.000 0.453 439 A N 1.543 124.297 122.820 -0.109 0.000 1.902 439 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 439 A C 2.066 179.595 177.584 -0.091 0.000 1.181 439 A CA 1.800 53.779 52.037 -0.098 0.000 0.623 439 A CB -0.699 18.253 19.000 -0.080 0.000 0.818 439 A HN 0.558 nan 8.150 nan 0.000 0.443 440 E N 0.085 120.246 120.200 -0.066 0.000 2.106 440 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 440 E C 1.989 178.528 176.600 -0.102 0.000 0.984 440 E CA 1.093 57.479 56.400 -0.023 0.000 0.806 440 E CB -0.373 29.387 29.700 0.099 0.000 0.750 440 E HN 0.446 nan 8.360 nan 0.000 0.458 441 A N 1.505 124.258 122.820 -0.111 0.000 1.845 441 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 441 A C 2.532 179.963 177.584 -0.256 0.000 1.195 441 A CA 1.614 53.576 52.037 -0.125 0.000 0.616 441 A CB -0.951 17.900 19.000 -0.247 0.000 0.832 441 A HN 0.196 nan 8.150 nan 0.000 0.443 442 V N -1.117 118.611 119.914 -0.309 0.000 2.252 442 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 442 V C 2.390 178.220 176.094 -0.440 0.000 1.056 442 V CA 2.404 64.382 62.300 -0.536 0.000 1.022 442 V CB -1.109 30.382 31.823 -0.552 0.000 0.641 442 V HN 0.712 nan 8.190 nan 0.000 0.445 443 Y N 1.769 121.852 120.300 -0.362 0.000 2.097 443 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 443 Y C 2.573 178.308 175.900 -0.275 0.000 1.152 443 Y CA 2.182 60.106 58.100 -0.294 0.000 1.136 443 Y CB -0.509 37.806 38.460 -0.243 0.000 0.975 443 Y HN 0.275 nan 8.280 nan 0.000 0.498 444 N N 0.462 118.946 118.700 -0.359 0.000 2.244 444 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 444 N C 1.976 177.324 175.510 -0.269 0.000 1.016 444 N CA 1.738 54.540 53.050 -0.412 0.000 0.866 444 N CB -0.240 37.916 38.487 -0.552 0.000 0.980 444 N HN 0.458 nan 8.380 nan 0.000 0.430 445 I N 1.314 121.692 120.570 -0.322 0.000 2.179 445 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 445 I C 2.469 178.423 176.117 -0.271 0.000 1.088 445 I CA 1.106 62.247 61.300 -0.265 0.000 1.357 445 I CB -0.145 37.586 38.000 -0.449 0.000 1.051 445 I HN 0.035 nan 8.210 nan 0.000 0.409 446 R N 0.177 120.428 120.500 -0.416 0.000 2.096 446 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 446 R C 2.445 178.525 176.300 -0.366 0.000 1.127 446 R CA 1.222 57.082 56.100 -0.399 0.000 0.968 446 R CB -0.357 29.702 30.300 -0.401 0.000 0.861 446 R HN 0.316 nan 8.270 nan 0.000 0.440 447 R N 0.849 121.079 120.500 -0.449 0.000 2.092 447 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 447 R C 1.737 177.871 176.300 -0.277 0.000 1.119 447 R CA 1.207 57.064 56.100 -0.405 0.000 0.970 447 R CB 0.039 29.984 30.300 -0.592 0.000 0.864 447 R HN 0.204 nan 8.270 nan 0.000 0.440 448 L N 0.487 121.564 121.223 -0.244 0.000 2.513 448 L HA 0.127 4.467 4.340 -0.000 0.000 0.222 448 L C 2.103 178.877 176.870 -0.160 0.000 1.096 448 L CA 0.080 54.787 54.840 -0.222 0.000 0.857 448 L CB -0.055 41.778 42.059 -0.378 0.000 1.026 448 L HN 0.207 nan 8.230 nan 0.000 0.469 449 R N -0.478 119.918 120.500 -0.174 0.000 2.316 449 R HA -0.007 4.333 4.340 -0.000 0.000 0.202 449 R C 0.851 177.048 176.300 -0.171 0.000 1.029 449 R CA 0.689 56.717 56.100 -0.121 0.000 1.018 449 R CB -0.396 29.778 30.300 -0.211 0.000 0.888 449 R HN 0.333 nan 8.270 nan 0.000 0.471 450 N N 0.639 119.115 118.700 -0.374 0.000 2.336 450 N HA -0.005 4.735 4.740 -0.000 0.000 0.189 450 N C -0.477 174.742 175.510 -0.485 0.000 1.113 450 N CA 0.150 52.901 53.050 -0.498 0.000 0.858 450 N CB 0.177 38.099 38.487 -0.942 0.000 0.970 450 N HN 0.307 nan 8.380 nan 0.000 0.471 451 H N 0.576 119.493 119.070 -0.255 0.000 2.742 451 H HA 0.185 4.741 4.556 0.000 0.000 0.302 451 H C 1.047 176.211 175.328 -0.273 0.000 1.069 451 H CA -0.242 55.687 56.048 -0.199 0.000 1.446 451 H CB 1.526 31.242 29.762 -0.076 0.000 1.462 451 H HN 0.068 nan 8.280 nan 0.000 0.499 452 A N 3.380 126.022 122.820 -0.296 0.000 1.986 452 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 452 A C 2.329 179.439 177.584 -0.788 0.000 1.171 452 A CA 2.059 53.663 52.037 -0.722 0.000 0.640 452 A CB -0.446 17.790 19.000 -1.274 0.000 0.811 452 A HN 0.721 nan 8.150 nan 0.000 0.451 453 S N -1.152 114.323 115.700 -0.376 0.000 2.461 453 S HA 0.115 4.585 4.470 -0.000 0.000 0.228 453 S C 0.663 175.235 174.600 -0.047 0.000 1.005 453 S CA 0.274 58.383 58.200 -0.152 0.000 0.942 453 S CB -0.606 62.633 63.200 0.066 0.000 0.776 453 S HN 0.395 nan 8.310 nan 0.000 0.514 454 L N 2.172 123.389 121.223 -0.008 0.000 2.500 454 L HA 0.505 4.845 4.340 -0.000 0.000 0.272 454 L C 0.903 177.730 176.870 -0.072 0.000 1.149 454 L CA 0.111 54.938 54.840 -0.021 0.000 0.897 454 L CB 0.290 42.298 42.059 -0.086 0.000 1.178 454 L HN 0.213 nan 8.230 nan 0.000 0.473 455 A N 6.579 129.375 122.820 -0.041 0.000 2.085 455 A HA 0.458 4.778 4.320 -0.000 0.000 0.208 455 A C 0.484 178.103 177.584 0.060 0.000 1.191 455 A CA 0.884 52.951 52.037 0.051 0.000 0.799 455 A CB 0.002 19.081 19.000 0.132 0.000 0.877 455 A HN 0.798 nan 8.150 nan 0.000 0.473 456 M N -4.637 114.913 119.600 -0.082 0.000 2.918 456 M HA 0.560 5.040 4.480 -0.000 0.000 0.272 456 M C -2.387 173.733 176.300 -0.299 0.000 1.082 456 M CA -0.724 54.534 55.300 -0.070 0.000 0.799 456 M CB 0.704 33.306 32.600 0.003 0.000 1.659 456 M HN 0.043 nan 8.290 nan 0.000 0.533 457 W N 0.751 122.028 121.300 -0.039 0.000 2.689 457 W HA 0.791 5.450 4.660 -0.000 0.000 0.340 457 W C -1.026 175.419 176.519 -0.125 0.000 1.060 457 W CA -0.397 56.930 57.345 -0.031 0.000 1.218 457 W CB 2.026 31.589 29.460 0.171 0.000 1.410 457 W HN 0.880 nan 8.180 nan 0.000 0.528 458 C N 2.113 121.558 119.300 0.242 0.000 2.481 458 C HA 0.583 5.042 4.460 -0.000 0.000 0.324 458 C C 1.525 176.750 174.990 0.392 0.000 1.170 458 C CA 0.092 59.171 59.018 0.101 0.000 1.361 458 C CB 0.383 28.307 27.740 0.307 0.000 1.977 458 C HN 0.999 nan 8.230 nan 0.000 0.459 459 G N 4.270 113.185 108.800 0.192 0.000 2.469 459 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 459 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 459 G C 0.277 175.451 174.900 0.458 0.000 1.150 459 G CA 1.620 47.061 45.100 0.569 0.000 0.763 459 G HN 1.183 nan 8.290 nan 0.000 0.561 460 N N -2.787 116.016 118.700 0.172 0.000 3.185 460 N HA 0.193 4.933 4.740 -0.000 0.000 0.238 460 N C -1.628 173.960 175.510 0.130 0.000 1.451 460 N CA -0.882 52.227 53.050 0.098 0.000 0.888 460 N CB 0.529 38.825 38.487 -0.319 0.000 1.413 460 N HN -0.015 nan 8.380 nan 0.000 0.511 461 N N 0.207 118.986 118.700 0.132 0.000 2.439 461 N HA 0.252 4.992 4.740 -0.000 0.000 0.249 461 N C -0.880 174.752 175.510 0.203 0.000 1.003 461 N CA -0.054 53.129 53.050 0.222 0.000 0.942 461 N CB 0.203 38.806 38.487 0.194 0.000 1.115 461 N HN 0.752 nan 8.380 nan 0.000 0.505 462 E N 1.466 121.741 120.200 0.126 0.000 3.286 462 E HA -0.260 4.090 4.350 -0.000 0.000 0.292 462 E C 0.546 177.040 176.600 -0.177 0.000 0.928 462 E CA 0.547 56.931 56.400 -0.027 0.000 0.982 462 E CB -1.334 28.410 29.700 0.073 0.000 1.500 462 E HN 0.677 nan 8.360 nan 0.000 0.441 463 I N -0.238 120.302 120.570 -0.050 0.000 2.286 463 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 463 I C 2.398 178.403 176.117 -0.186 0.000 1.104 463 I CA 0.831 62.118 61.300 -0.021 0.000 1.397 463 I CB -0.203 37.903 38.000 0.176 0.000 1.072 463 I HN 0.142 nan 8.210 nan 0.000 0.417 464 L N 1.261 122.346 121.223 -0.230 0.000 2.046 464 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 464 L C 2.484 179.155 176.870 -0.330 0.000 1.077 464 L CA 1.934 56.524 54.840 -0.416 0.000 0.747 464 L CB -0.677 41.258 42.059 -0.206 0.000 0.896 464 L HN 0.251 nan 8.230 nan 0.000 0.432 465 E N -0.700 119.333 120.200 -0.277 0.000 2.085 465 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 465 E C 2.079 178.261 176.600 -0.697 0.000 0.994 465 E CA 1.283 57.509 56.400 -0.291 0.000 0.801 465 E CB -0.192 29.367 29.700 -0.235 0.000 0.743 465 E HN 0.606 nan 8.360 nan 0.000 0.453 466 A N 0.962 123.165 122.820 -1.028 0.000 1.902 466 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 466 A C 2.217 179.321 177.584 -0.800 0.000 1.181 466 A CA 1.267 52.578 52.037 -1.209 0.000 0.623 466 A CB -0.707 17.859 19.000 -0.724 0.000 0.818 466 A HN 0.333 nan 8.150 nan 0.000 0.443 467 L N -1.157 119.832 121.223 -0.389 0.000 2.131 467 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 467 L C 2.496 179.255 176.870 -0.186 0.000 1.092 467 L CA 1.661 56.412 54.840 -0.148 0.000 0.759 467 L CB -0.256 41.696 42.059 -0.178 0.000 0.903 467 L HN 0.364 nan 8.230 nan 0.000 0.435 468 K N -1.788 118.362 120.400 -0.416 0.000 2.242 468 K HA 0.007 4.327 4.320 -0.000 0.000 0.200 468 K C 1.115 177.279 176.600 -0.727 0.000 1.050 468 K CA 0.831 56.734 56.287 -0.639 0.000 0.981 468 K CB 0.310 32.218 32.500 -0.987 0.000 0.795 468 K HN 0.160 nan 8.250 nan 0.000 0.477 469 Y N -2.736 117.447 120.300 -0.195 0.000 2.425 469 Y HA 0.111 4.661 4.550 -0.000 0.000 0.261 469 Y C 0.666 176.611 175.900 0.076 0.000 1.084 469 Y CA -0.690 57.370 58.100 -0.067 0.000 1.248 469 Y CB 0.470 38.919 38.460 -0.019 0.000 1.270 469 Y HN 0.050 nan 8.280 nan 0.000 0.524 470 W N 0.770 121.912 121.300 -0.263 0.000 3.388 470 W HA 0.539 5.199 4.660 -0.000 0.000 0.324 470 W C 1.143 177.493 176.519 -0.280 0.000 1.250 470 W CA 0.041 57.201 57.345 -0.309 0.000 1.809 470 W CB -0.342 28.875 29.460 -0.404 0.000 1.083 470 W HN 0.145 nan 8.180 nan 0.000 0.685 471 G N 0.186 108.965 108.800 -0.036 0.000 2.248 471 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 471 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 471 G C 0.391 175.437 174.900 0.243 0.000 1.085 471 G CA -0.077 45.062 45.100 0.063 0.000 0.845 471 G HN 0.080 nan 8.290 nan 0.000 0.494 472 F N 0.346 120.366 119.950 0.117 0.000 2.317 472 F HA 0.128 4.655 4.527 -0.000 0.000 0.293 472 F C 2.327 178.174 175.800 0.079 0.000 1.085 472 F CA 0.899 59.027 58.000 0.214 0.000 1.390 472 F CB -0.963 38.310 39.000 0.454 0.000 1.077 472 F HN 0.338 nan 8.300 nan 0.000 0.517 473 E N 0.921 121.088 120.200 -0.055 0.000 2.273 473 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 473 E C 2.391 178.906 176.600 -0.142 0.000 1.002 473 E CA 1.487 57.671 56.400 -0.359 0.000 0.828 473 E CB -0.465 28.863 29.700 -0.620 0.000 0.747 473 E HN 0.533 nan 8.360 nan 0.000 0.491 474 K N -0.215 120.139 120.400 -0.077 0.000 2.365 474 K HA 0.067 4.387 4.320 -0.000 0.000 0.197 474 K C 2.132 178.653 176.600 -0.133 0.000 1.042 474 K CA 1.109 57.348 56.287 -0.081 0.000 0.987 474 K CB -0.340 nan 32.500 nan 0.000 0.779 474 K HN 0.205 nan 8.250 nan 0.000 0.484 475 K N -0.893 119.381 120.400 -0.210 0.000 2.356 475 K HA 0.358 4.678 4.320 -0.000 0.000 0.195 475 K C -0.551 175.486 176.600 -0.938 0.000 1.037 475 K CA 0.169 56.113 56.287 -0.572 0.000 1.014 475 K CB -0.071 31.983 32.500 -0.743 0.000 0.815 475 K HN 0.523 nan 8.250 nan 0.000 0.507 476 F N 0.090 120.007 119.950 -0.055 0.000 2.588 476 F HA 0.338 4.865 4.527 0.000 0.000 0.314 476 F C 0.683 176.428 175.800 -0.091 0.000 1.069 476 F CA -1.599 56.334 58.000 -0.112 0.000 0.931 476 F CB 1.095 39.982 39.000 -0.189 0.000 1.260 476 F HN -0.118 nan 8.300 nan 0.000 0.465 477 T N -0.815 113.789 114.554 0.083 0.000 2.906 477 T HA 0.117 4.467 4.350 -0.000 0.000 0.320 477 T C -2.018 172.708 174.700 0.043 0.000 1.088 477 T CA -1.026 61.092 62.100 0.030 0.000 1.120 477 T CB 0.835 69.710 68.868 0.011 0.000 1.000 477 T HN 0.309 nan 8.240 nan 0.000 0.550 478 P HA -0.098 nan 4.420 nan 0.000 0.216 478 P C 1.367 178.693 177.300 0.044 0.000 1.153 478 P CA 1.186 64.311 63.100 0.042 0.000 0.858 478 P CB 0.045 31.755 31.700 0.016 0.000 0.789 479 E N -0.834 119.370 120.200 0.008 0.000 2.077 479 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 479 E C 2.038 178.596 176.600 -0.071 0.000 0.989 479 E CA 0.936 57.327 56.400 -0.016 0.000 0.800 479 E CB -1.259 28.437 29.700 -0.006 0.000 0.746 479 E HN 0.005 nan 8.360 nan 0.000 0.452 480 V N 0.313 120.152 119.914 -0.125 0.000 2.343 480 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 480 V C 1.971 177.857 176.094 -0.347 0.000 1.051 480 V CA 1.864 63.957 62.300 -0.345 0.000 1.036 480 V CB -0.519 30.933 31.823 -0.618 0.000 0.654 480 V HN 0.332 nan 8.190 nan 0.000 0.451 481 Y N 0.763 120.908 120.300 -0.258 0.000 2.200 481 Y HA -0.261 4.289 4.550 0.000 0.000 0.290 481 Y C 2.648 178.435 175.900 -0.189 0.000 1.137 481 Y CA 2.132 60.114 58.100 -0.196 0.000 1.163 481 Y CB -0.117 38.314 38.460 -0.049 0.000 0.988 481 Y HN 0.216 nan 8.280 nan 0.000 0.518 482 Q N 0.139 119.839 119.800 -0.168 0.000 2.167 482 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 482 Q C 2.364 178.096 176.000 -0.447 0.000 0.970 482 Q CA 1.603 57.214 55.803 -0.321 0.000 0.855 482 Q CB -0.849 27.777 28.738 -0.186 0.000 0.911 482 Q HN 0.566 nan 8.270 nan 0.000 0.438 483 G N -0.207 108.439 108.800 -0.257 0.000 2.408 483 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 483 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 483 G C 1.291 176.108 174.900 -0.139 0.000 1.150 483 G CA 0.594 45.615 45.100 -0.132 0.000 0.776 483 G HN 0.366 nan 8.290 nan 0.000 0.542 484 L N 0.143 121.210 121.223 -0.261 0.000 2.046 484 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 484 L C 3.097 179.867 176.870 -0.166 0.000 1.077 484 L CA 0.769 55.481 54.840 -0.213 0.000 0.747 484 L CB -0.392 41.446 42.059 -0.368 0.000 0.896 484 L HN 0.152 nan 8.230 nan 0.000 0.432 485 M N -0.915 118.471 119.600 -0.355 0.000 2.067 485 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 485 M C 2.414 178.693 176.300 -0.035 0.000 1.069 485 M CA 1.770 56.915 55.300 -0.258 0.000 1.117 485 M CB -1.572 30.786 32.600 -0.403 0.000 1.334 485 M HN 0.253 nan 8.290 nan 0.000 0.407 486 H N -0.238 118.812 119.070 -0.034 0.000 2.353 486 H HA -0.003 4.553 4.556 -0.000 0.000 0.300 486 H C 2.277 177.616 175.328 0.019 0.000 1.090 486 H CA 1.647 57.692 56.048 -0.004 0.000 1.327 486 H CB -1.055 28.698 29.762 -0.016 0.000 1.383 486 H HN 0.445 nan 8.280 nan 0.000 0.508 487 G N -0.347 108.541 108.800 0.148 0.000 2.422 487 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 487 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 487 G C 1.755 176.710 174.900 0.092 0.000 1.146 487 G CA 0.693 45.853 45.100 0.101 0.000 0.769 487 G HN 0.449 nan 8.290 nan 0.000 0.547 488 Y N 1.970 122.318 120.300 0.081 0.000 2.081 488 Y HA -0.226 4.324 4.550 0.000 0.000 0.280 488 Y C 2.505 178.489 175.900 0.140 0.000 1.163 488 Y CA 2.295 60.516 58.100 0.202 0.000 1.135 488 Y CB -0.101 38.457 38.460 0.164 0.000 0.970 488 Y HN 0.209 nan 8.280 nan 0.000 0.498 489 D N 0.040 120.568 120.400 0.213 0.000 2.123 489 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 489 D C 2.039 178.290 176.300 -0.082 0.000 0.992 489 D CA 1.611 55.655 54.000 0.072 0.000 0.833 489 D CB -0.282 40.574 40.800 0.093 0.000 0.954 489 D HN 0.397 nan 8.370 nan 0.000 0.455 490 K N -0.315 120.033 120.400 -0.087 0.000 2.063 490 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 490 K C 1.892 178.322 176.600 -0.283 0.000 1.048 490 K CA 0.579 56.779 56.287 -0.144 0.000 0.928 490 K CB -0.065 32.380 32.500 -0.093 0.000 0.713 490 K HN 0.059 nan 8.250 nan 0.000 0.442 491 L N -0.468 120.481 121.223 -0.456 0.000 2.121 491 L HA 0.043 4.383 4.340 -0.000 0.000 0.200 491 L C 1.606 177.931 176.870 -0.909 0.000 1.077 491 L CA 1.667 56.005 54.840 -0.838 0.000 0.766 491 L CB -0.342 40.942 42.059 -1.292 0.000 0.931 491 L HN 0.004 nan 8.230 nan 0.000 0.452 492 F N -0.562 119.107 119.950 -0.468 0.000 2.698 492 F HA 0.212 4.739 4.527 -0.000 0.000 0.295 492 F C 2.126 177.844 175.800 -0.137 0.000 1.124 492 F CA 0.341 58.127 58.000 -0.358 0.000 1.426 492 F CB -0.253 38.366 39.000 -0.635 0.000 1.120 492 F HN -0.022 nan 8.300 nan 0.000 0.583 493 R N -0.425 120.041 120.500 -0.057 0.000 2.397 493 R HA 0.176 4.516 4.340 -0.000 0.000 0.241 493 R C 0.871 177.111 176.300 -0.101 0.000 0.914 493 R CA 0.335 56.423 56.100 -0.021 0.000 1.071 493 R CB 0.313 30.601 30.300 -0.019 0.000 1.116 493 R HN 0.317 nan 8.270 nan 0.000 0.524 494 E N -0.167 119.927 120.200 -0.177 0.000 3.249 494 E HA 0.020 4.370 4.350 -0.000 0.000 0.184 494 E C 1.209 177.651 176.600 -0.265 0.000 1.163 494 E CA -0.191 56.094 56.400 -0.193 0.000 1.353 494 E CB -0.053 29.552 29.700 -0.157 0.000 1.466 494 E HN -0.062 nan 8.360 nan 0.000 0.502 495 L N 2.068 123.108 121.223 -0.305 0.000 1.970 495 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 495 L C 2.074 178.686 176.870 -0.430 0.000 1.071 495 L CA 1.761 56.401 54.840 -0.334 0.000 0.751 495 L CB -0.609 41.240 42.059 -0.349 0.000 0.889 495 L HN 0.162 nan 8.230 nan 0.000 0.432 496 L N 0.063 120.956 121.223 -0.551 0.000 1.989 496 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 496 L C -0.104 176.247 176.870 -0.865 0.000 1.071 496 L CA 1.665 56.059 54.840 -0.743 0.000 0.749 496 L CB -2.317 39.281 42.059 -0.768 0.000 0.890 496 L HN 0.304 nan 8.230 nan 0.000 0.431 497 P HA -0.134 nan 4.420 nan 0.000 0.217 497 P C 1.751 178.753 177.300 -0.497 0.000 1.150 497 P CA 1.865 64.399 63.100 -0.943 0.000 0.832 497 P CB -0.086 31.257 31.700 -0.595 0.000 0.787 498 S N -1.095 114.379 115.700 -0.377 0.000 2.402 498 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 498 S C 1.920 176.371 174.600 -0.249 0.000 1.021 498 S CA 1.777 59.817 58.200 -0.266 0.000 0.974 498 S CB -1.941 61.129 63.200 -0.216 0.000 0.800 498 S HN 0.117 nan 8.310 nan 0.000 0.484 499 T N 2.241 116.631 114.554 -0.273 0.000 2.812 499 T HA 0.040 4.390 4.350 -0.000 0.000 0.264 499 T C 1.909 176.531 174.700 -0.130 0.000 1.042 499 T CA 1.275 63.288 62.100 -0.146 0.000 1.140 499 T CB -0.530 68.222 68.868 -0.192 0.000 0.870 499 T HN 0.293 nan 8.240 nan 0.000 0.445 500 V N 1.466 121.210 119.914 -0.284 0.000 2.407 500 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 500 V C 2.656 178.653 176.094 -0.163 0.000 1.055 500 V CA 1.275 63.420 62.300 -0.258 0.000 1.049 500 V CB -0.449 31.201 31.823 -0.288 0.000 0.662 500 V HN 0.247 nan 8.190 nan 0.000 0.455 501 K N 0.189 120.474 120.400 -0.192 0.000 2.097 501 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 501 K C 2.148 178.635 176.600 -0.188 0.000 1.050 501 K CA 1.512 57.705 56.287 -0.156 0.000 0.938 501 K CB -0.133 32.270 32.500 -0.161 0.000 0.718 501 K HN 0.648 nan 8.250 nan 0.000 0.442 502 E N -1.420 118.616 120.200 -0.273 0.000 2.072 502 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 502 E C 0.954 177.182 176.600 -0.620 0.000 0.982 502 E CA 0.934 57.037 56.400 -0.495 0.000 0.803 502 E CB 0.104 29.375 29.700 -0.716 0.000 0.755 502 E HN 0.170 nan 8.360 nan 0.000 0.453 503 F N -0.559 119.284 119.950 -0.179 0.000 2.706 503 F HA 0.255 4.781 4.527 -0.000 0.000 0.308 503 F C 0.327 175.977 175.800 -0.250 0.000 1.095 503 F CA -0.146 57.718 58.000 -0.227 0.000 1.244 503 F CB 1.121 39.960 39.000 -0.268 0.000 1.063 503 F HN -0.134 nan 8.300 nan 0.000 0.582 504 D N -0.958 119.435 120.400 -0.011 0.000 3.118 504 D HA 0.155 4.795 4.640 -0.000 0.000 0.286 504 D C 0.572 176.915 176.300 0.072 0.000 1.255 504 D CA 0.217 54.244 54.000 0.045 0.000 0.748 504 D CB 0.290 41.154 40.800 0.106 0.000 1.332 504 D HN -0.127 nan 8.370 nan 0.000 0.575 505 S N -0.471 115.258 115.700 0.049 0.000 2.507 505 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 505 S C 1.087 175.716 174.600 0.048 0.000 0.988 505 S CA 0.429 58.641 58.200 0.020 0.000 0.944 505 S CB 0.385 63.578 63.200 -0.012 0.000 0.762 505 S HN 0.357 nan 8.310 nan 0.000 0.526 506 D N 0.861 121.309 120.400 0.080 0.000 2.349 506 D HA 0.129 4.769 4.640 -0.000 0.000 0.214 506 D C 0.434 176.791 176.300 0.096 0.000 1.063 506 D CA 0.162 54.203 54.000 0.068 0.000 0.847 506 D CB 0.387 41.216 40.800 0.049 0.000 0.933 506 D HN 0.313 nan 8.370 nan 0.000 0.513 507 R N 0.477 121.066 120.500 0.147 0.000 2.532 507 R HA 0.279 4.619 4.340 -0.000 0.000 0.295 507 R C -0.327 176.124 176.300 0.251 0.000 0.968 507 R CA -0.846 55.377 56.100 0.205 0.000 0.916 507 R CB 1.578 32.059 30.300 0.302 0.000 1.124 507 R HN -0.109 nan 8.270 nan 0.000 0.463 508 F N 2.932 122.906 119.950 0.040 0.000 2.563 508 F HA 0.041 4.568 4.527 -0.000 0.000 0.363 508 F C -0.599 175.290 175.800 0.148 0.000 1.123 508 F CA 0.182 58.178 58.000 -0.008 0.000 1.307 508 F CB 0.279 39.150 39.000 -0.214 0.000 1.115 508 F HN 0.391 nan 8.300 nan 0.000 0.592 509 Y N 6.015 125.897 120.300 -0.697 0.000 2.425 509 Y HA 0.608 5.158 4.550 -0.000 0.000 0.344 509 Y C -1.759 173.537 175.900 -1.006 0.000 0.969 509 Y CA -1.052 56.722 58.100 -0.542 0.000 1.052 509 Y CB 1.545 39.894 38.460 -0.184 0.000 1.215 509 Y HN 0.555 nan 8.280 nan 0.000 0.451 510 V N 6.458 125.614 119.914 -1.263 0.000 2.735 510 V HA 0.273 4.393 4.120 -0.000 0.000 0.310 510 V C 0.161 175.681 176.094 -0.957 0.000 1.061 510 V CA -0.381 61.384 62.300 -0.893 0.000 0.913 510 V CB 1.526 33.117 31.823 -0.386 0.000 1.005 510 V HN 1.057 nan 8.190 nan 0.000 0.428 511 H N 3.213 122.041 119.070 -0.403 0.000 2.457 511 H HA 0.345 4.901 4.556 -0.000 0.000 0.294 511 H C 0.772 176.083 175.328 -0.027 0.000 1.064 511 H CA 1.103 57.081 56.048 -0.116 0.000 1.330 511 H CB 0.163 30.036 29.762 0.184 0.000 1.395 511 H HN 0.555 nan 8.280 nan 0.000 0.541 512 S N -1.142 114.322 115.700 -0.392 0.000 2.565 512 S HA 0.498 4.968 4.470 -0.000 0.000 0.269 512 S C -1.582 173.012 174.600 -0.010 0.000 1.153 512 S CA -0.518 57.609 58.200 -0.121 0.000 0.835 512 S CB 1.694 64.885 63.200 -0.014 0.000 1.122 512 S HN 0.379 nan 8.310 nan 0.000 0.462 513 S N 2.967 118.740 115.700 0.121 0.000 2.605 513 S HA 0.721 5.191 4.470 -0.000 0.000 0.308 513 S C -2.935 171.564 174.600 -0.169 0.000 1.113 513 S CA -1.571 56.730 58.200 0.168 0.000 1.049 513 S CB 1.484 65.017 63.200 0.555 0.000 1.001 513 S HN 0.529 nan 8.310 nan 0.000 0.480 514 P HA 0.182 nan 4.420 nan 0.000 0.278 514 P C 0.057 177.293 177.300 -0.106 0.000 1.238 514 P CA -0.405 62.548 63.100 -0.246 0.000 0.794 514 P CB 0.402 31.939 31.700 -0.271 0.000 0.955 515 Y N 2.657 122.900 120.300 -0.095 0.000 2.337 515 Y HA 0.072 4.622 4.550 -0.000 0.000 0.293 515 Y C 1.347 177.261 175.900 0.023 0.000 1.123 515 Y CA 1.016 59.036 58.100 -0.133 0.000 1.201 515 Y CB -0.369 37.983 38.460 -0.180 0.000 1.011 515 Y HN 0.155 nan 8.280 nan 0.000 0.545 516 L N -0.024 121.060 121.223 -0.231 0.000 2.658 516 L HA 0.573 4.913 4.340 -0.000 0.000 0.201 516 L C 0.767 177.626 176.870 -0.018 0.000 1.050 516 L CA 0.738 55.559 54.840 -0.032 0.000 0.893 516 L CB -0.694 41.352 42.059 -0.021 0.000 1.503 516 L HN 0.177 nan 8.230 nan 0.000 0.485 517 A N 2.427 125.179 122.820 -0.113 0.000 2.540 517 A HA 0.176 4.496 4.320 -0.000 0.000 0.239 517 A C 0.078 177.712 177.584 0.083 0.000 1.061 517 A CA 0.283 52.343 52.037 0.039 0.000 0.758 517 A CB -0.350 18.688 19.000 0.062 0.000 0.991 517 A HN 0.598 nan 8.150 nan 0.000 0.502 518 N N 2.678 121.443 118.700 0.107 0.000 2.258 518 N HA 0.164 4.904 4.740 -0.000 0.000 0.299 518 N C 0.836 176.487 175.510 0.235 0.000 1.047 518 N CA -0.672 52.383 53.050 0.008 0.000 0.814 518 N CB 0.991 39.167 38.487 -0.519 0.000 1.413 518 N HN 0.866 nan 8.380 nan 0.000 0.478 519 W N 3.197 124.649 121.300 0.253 0.000 2.525 519 W HA 0.124 4.784 4.660 -0.000 0.000 0.259 519 W C 0.484 177.283 176.519 0.468 0.000 1.253 519 W CA 0.799 58.362 57.345 0.364 0.000 1.262 519 W CB -0.474 29.137 29.460 0.253 0.000 1.122 519 W HN 0.561 nan 8.180 nan 0.000 0.607 520 G N 1.422 110.018 108.800 -0.340 0.000 3.088 520 G HA2 0.030 3.990 3.960 -0.000 0.000 0.217 520 G HA3 0.030 3.990 3.960 -0.000 0.000 0.217 520 G C 0.553 175.318 174.900 -0.226 0.000 1.159 520 G CA -0.369 44.486 45.100 -0.409 0.000 0.760 520 G HN -0.095 nan 8.290 nan 0.000 0.550 521 R N 0.539 120.932 120.500 -0.178 0.000 2.396 521 R HA 0.281 4.621 4.340 -0.000 0.000 0.292 521 R C -2.274 173.666 176.300 -0.599 0.000 1.240 521 R CA -2.328 53.600 56.100 -0.287 0.000 1.270 521 R CB 1.500 31.658 30.300 -0.238 0.000 1.108 521 R HN -0.001 nan 8.270 nan 0.000 0.573 522 P HA -0.160 nan 4.420 nan 0.000 0.222 522 P C 1.084 177.754 177.300 -1.050 0.000 1.147 522 P CA 0.949 62.923 63.100 -1.876 0.000 0.790 522 P CB 0.402 31.308 31.700 -1.323 0.000 0.780 523 E N 0.344 120.229 120.200 -0.525 0.000 2.418 523 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 523 E C 1.299 177.806 176.600 -0.154 0.000 1.026 523 E CA 1.312 57.557 56.400 -0.258 0.000 0.862 523 E CB -0.799 28.811 29.700 -0.151 0.000 0.799 523 E HN 0.329 nan 8.360 nan 0.000 0.518 524 S N -1.004 114.577 115.700 -0.197 0.000 2.535 524 S HA 0.043 4.513 4.470 -0.000 0.000 0.214 524 S C 1.169 175.863 174.600 0.157 0.000 0.980 524 S CA -0.530 57.664 58.200 -0.009 0.000 0.907 524 S CB -0.558 62.650 63.200 0.013 0.000 0.790 524 S HN 0.222 nan 8.310 nan 0.000 0.510 525 W N 2.385 123.722 121.300 0.060 0.000 2.519 525 W HA 0.361 5.021 4.660 -0.000 0.000 0.266 525 W C 2.157 178.741 176.519 0.108 0.000 1.253 525 W CA 0.076 57.473 57.345 0.086 0.000 1.274 525 W CB -1.252 28.283 29.460 0.125 0.000 1.114 525 W HN 0.519 nan 8.180 nan 0.000 0.596 526 G N -0.633 108.357 108.800 0.317 0.000 2.920 526 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.208 526 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.208 526 G C 0.123 175.090 174.900 0.112 0.000 1.159 526 G CA 0.332 45.568 45.100 0.226 0.000 0.784 526 G HN 0.028 nan 8.290 nan 0.000 0.535 527 T N 1.120 115.732 114.554 0.098 0.000 2.947 527 T HA 0.576 4.926 4.350 -0.000 0.000 0.337 527 T C 0.721 175.356 174.700 -0.109 0.000 1.139 527 T CA 0.296 62.429 62.100 0.054 0.000 0.992 527 T CB 0.978 69.884 68.868 0.064 0.000 1.043 527 T HN 0.853 nan 8.240 nan 0.000 0.498 528 G N 4.015 112.810 108.800 -0.008 0.000 2.593 528 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.237 528 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.237 528 G C -0.683 174.086 174.900 -0.220 0.000 1.312 528 G CA -0.299 44.721 45.100 -0.132 0.000 0.896 528 G HN 0.820 nan 8.290 nan 0.000 0.574 529 D N -0.013 120.094 120.400 -0.488 0.000 2.313 529 D HA 0.569 5.209 4.640 -0.000 0.000 0.247 529 D C -0.039 176.201 176.300 -0.101 0.000 1.094 529 D CA 0.200 54.030 54.000 -0.284 0.000 0.925 529 D CB 1.439 41.981 40.800 -0.429 0.000 1.188 529 D HN 0.495 nan 8.370 nan 0.000 0.430 530 S N -0.133 115.597 115.700 0.050 0.000 2.503 530 S HA 0.246 4.716 4.470 -0.000 0.000 0.301 530 S C -0.576 174.191 174.600 0.277 0.000 1.087 530 S CA -0.723 57.535 58.200 0.096 0.000 1.042 530 S CB 0.933 64.126 63.200 -0.012 0.000 1.043 530 S HN 0.395 nan 8.310 nan 0.000 0.489 531 H N 2.560 121.707 119.070 0.129 0.000 2.821 531 H HA 0.189 4.745 4.556 -0.000 0.000 0.262 531 H C -0.181 175.202 175.328 0.093 0.000 1.402 531 H CA -0.571 55.569 56.048 0.153 0.000 1.293 531 H CB 0.244 30.259 29.762 0.420 0.000 1.533 531 H HN 0.335 nan 8.280 nan 0.000 0.528 532 N N 3.092 121.769 118.700 -0.039 0.000 2.605 532 N HA -0.055 4.685 4.740 -0.000 0.000 0.258 532 N C -0.274 175.054 175.510 -0.302 0.000 1.156 532 N CA -0.252 52.737 53.050 -0.101 0.000 1.008 532 N CB -0.060 38.297 38.487 -0.217 0.000 1.354 532 N HN 0.561 nan 8.380 nan 0.000 0.509 533 W N 1.625 122.807 121.300 -0.196 0.000 3.400 533 W HA 0.335 4.995 4.660 -0.000 0.000 0.347 533 W C 1.909 177.794 176.519 -1.057 0.000 1.218 533 W CA -0.594 56.463 57.345 -0.481 0.000 1.837 533 W CB 0.290 29.567 29.460 -0.305 0.000 1.067 533 W HN 0.555 nan 8.180 nan 0.000 0.701 534 G N 0.582 108.998 108.800 -0.641 0.000 2.446 534 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 534 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 534 G C 0.688 175.528 174.900 -0.100 0.000 1.168 534 G CA 0.542 45.433 45.100 -0.348 0.000 0.771 534 G HN -0.023 nan 8.290 nan 0.000 0.551 535 V N 0.845 120.777 119.914 0.030 0.000 2.637 535 V HA 0.209 4.329 4.120 -0.000 0.000 0.296 535 V C 0.905 177.200 176.094 0.335 0.000 1.046 535 V CA 0.146 62.558 62.300 0.186 0.000 1.066 535 V CB 0.492 32.448 31.823 0.221 0.000 0.968 535 V HN 0.620 nan 8.190 nan 0.000 0.483 536 W N 3.502 124.886 121.300 0.141 0.000 1.733 536 W HA -0.402 4.258 4.660 0.000 0.000 0.277 536 W C 1.426 177.911 176.519 -0.058 0.000 1.870 536 W CA 1.887 59.231 57.345 -0.000 0.000 2.184 536 W CB -1.436 28.076 29.460 0.087 0.000 0.966 536 W HN 0.591 nan 8.180 nan 0.000 0.442 537 Y N 1.162 121.530 120.300 0.113 0.000 2.224 537 Y HA 0.022 4.572 4.550 -0.000 0.000 0.289 537 Y C 2.644 178.474 175.900 -0.118 0.000 1.146 537 Y CA 2.588 60.633 58.100 -0.092 0.000 1.182 537 Y CB -1.330 37.098 38.460 -0.053 0.000 0.983 537 Y HN 0.272 nan 8.280 nan 0.000 0.524 538 G N -0.899 107.815 108.800 -0.143 0.000 3.042 538 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.212 538 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.212 538 G C 0.737 175.704 174.900 0.111 0.000 1.166 538 G CA 0.065 45.200 45.100 0.058 0.000 0.767 538 G HN 0.328 nan 8.290 nan 0.000 0.546 539 K N -0.579 119.860 120.400 0.064 0.000 3.104 539 K HA -0.213 4.107 4.320 -0.000 0.000 0.285 539 K C 0.188 176.771 176.600 -0.028 0.000 1.136 539 K CA 0.854 57.171 56.287 0.050 0.000 0.842 539 K CB -1.040 31.432 32.500 -0.048 0.000 1.217 539 K HN 0.425 nan 8.250 nan 0.000 0.467 540 K N 1.664 122.105 120.400 0.069 0.000 2.436 540 K HA 0.077 4.397 4.320 -0.000 0.000 0.275 540 K C -2.024 174.551 176.600 -0.040 0.000 0.999 540 K CA -1.205 55.100 56.287 0.031 0.000 0.980 540 K CB 0.130 32.690 32.500 0.099 0.000 0.919 540 K HN -0.030 nan 8.250 nan 0.000 0.484 541 P HA -0.044 nan 4.420 nan 0.000 0.272 541 P C 0.208 177.495 177.300 -0.022 0.000 1.230 541 P CA -0.094 62.919 63.100 -0.145 0.000 0.788 541 P CB 0.373 32.018 31.700 -0.092 0.000 0.949 542 F N 0.432 120.447 119.950 0.108 0.000 2.192 542 F HA -0.187 4.340 4.527 -0.000 0.000 0.301 542 F C 2.201 178.044 175.800 0.071 0.000 1.079 542 F CA 1.735 59.776 58.000 0.069 0.000 1.303 542 F CB -1.297 37.683 39.000 -0.033 0.000 1.024 542 F HN 0.308 nan 8.300 nan 0.000 0.494 543 E N -0.033 120.267 120.200 0.166 0.000 2.209 543 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 543 E C 2.312 179.002 176.600 0.150 0.000 0.993 543 E CA 1.303 57.788 56.400 0.140 0.000 0.819 543 E CB -0.705 29.030 29.700 0.059 0.000 0.745 543 E HN 0.407 nan 8.360 nan 0.000 0.477 544 S N 0.269 116.040 115.700 0.119 0.000 2.440 544 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 544 S C 1.842 176.486 174.600 0.073 0.000 1.010 544 S CA 0.750 59.009 58.200 0.098 0.000 0.972 544 S CB -0.443 62.814 63.200 0.094 0.000 0.774 544 S HN 0.266 nan 8.310 nan 0.000 0.501 545 L N 1.210 122.488 121.223 0.092 0.000 2.275 545 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 545 L C 2.040 178.888 176.870 -0.036 0.000 1.119 545 L CA 1.047 55.891 54.840 0.007 0.000 0.790 545 L CB -0.579 41.472 42.059 -0.014 0.000 0.919 545 L HN 0.263 nan 8.230 nan 0.000 0.443 546 D N -0.549 119.861 120.400 0.016 0.000 2.183 546 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 546 D C 2.151 178.451 176.300 -0.001 0.000 0.969 546 D CA 1.939 55.927 54.000 -0.021 0.000 0.842 546 D CB 0.108 40.934 40.800 0.044 0.000 0.957 546 D HN 0.435 nan 8.370 nan 0.000 0.484 547 T N -2.350 112.226 114.554 0.037 0.000 3.000 547 T HA 0.021 4.371 4.350 -0.000 0.000 0.248 547 T C 0.555 175.310 174.700 0.092 0.000 1.034 547 T CA -0.165 61.973 62.100 0.062 0.000 1.060 547 T CB 0.232 69.157 68.868 0.096 0.000 0.983 547 T HN -0.247 nan 8.240 nan 0.000 0.482 548 D N 2.272 122.692 120.400 0.035 0.000 2.639 548 D HA 0.434 5.074 4.640 -0.000 0.000 0.233 548 D C -0.522 175.660 176.300 -0.196 0.000 1.161 548 D CA -0.154 53.786 54.000 -0.100 0.000 1.003 548 D CB 0.162 40.742 40.800 -0.365 0.000 1.034 548 D HN 0.436 nan 8.370 nan 0.000 0.514 549 L N 2.456 123.692 121.223 0.021 0.000 2.357 549 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 549 L C -1.962 175.020 176.870 0.187 0.000 1.080 549 L CA -1.500 53.387 54.840 0.079 0.000 0.803 549 L CB 1.285 43.407 42.059 0.105 0.000 1.174 549 L HN 0.053 nan 8.230 nan 0.000 0.443 550 P HA 0.394 nan 4.420 nan 0.000 0.288 550 P C -0.475 176.887 177.300 0.104 0.000 1.300 550 P CA -0.790 62.362 63.100 0.086 0.000 0.910 550 P CB 1.694 33.323 31.700 -0.119 0.000 1.256 551 R N -0.039 120.471 120.500 0.016 0.000 2.148 551 R HA 0.184 4.524 4.340 -0.000 0.000 0.223 551 R C 0.279 176.676 176.300 0.161 0.000 1.088 551 R CA 0.824 56.901 56.100 -0.037 0.000 0.985 551 R CB -0.896 29.409 30.300 0.008 0.000 0.880 551 R HN 0.590 nan 8.270 nan 0.000 0.451 552 F N -0.388 119.545 119.950 -0.028 0.000 2.639 552 F HA 0.274 4.801 4.527 -0.000 0.000 0.326 552 F C -1.264 174.476 175.800 -0.099 0.000 1.150 552 F CA -1.200 56.794 58.000 -0.011 0.000 1.057 552 F CB 1.239 40.361 39.000 0.203 0.000 1.300 552 F HN -0.239 nan 8.300 nan 0.000 0.486 553 M N 5.318 124.700 119.600 -0.362 0.000 2.151 553 M HA 0.247 4.727 4.480 -0.000 0.000 0.349 553 M C 0.427 176.740 176.300 0.022 0.000 1.284 553 M CA 0.272 55.425 55.300 -0.245 0.000 1.173 553 M CB 0.689 32.916 32.600 -0.623 0.000 1.469 553 M HN 0.537 nan 8.290 nan 0.000 0.439 554 S N 2.512 118.371 115.700 0.265 0.000 2.528 554 S HA 0.266 4.736 4.470 -0.000 0.000 0.219 554 S C 0.019 174.594 174.600 -0.042 0.000 0.985 554 S CA -0.044 58.275 58.200 0.198 0.000 0.914 554 S CB -0.163 63.137 63.200 0.166 0.000 0.776 554 S HN 0.744 nan 8.310 nan 0.000 0.526 555 E N -0.014 120.157 120.200 -0.048 0.000 2.372 555 E HA 0.616 4.966 4.350 -0.000 0.000 0.279 555 E C -1.540 175.001 176.600 -0.099 0.000 0.946 555 E CA -0.904 55.444 56.400 -0.087 0.000 0.769 555 E CB 2.370 31.927 29.700 -0.240 0.000 1.230 555 E HN 0.423 nan 8.360 nan 0.000 0.442 556 F N -1.024 118.655 119.950 -0.452 0.000 2.725 556 F HA 0.805 5.332 4.527 -0.000 0.000 0.309 556 F C -0.772 174.728 175.800 -0.500 0.000 1.132 556 F CA -0.594 56.940 58.000 -0.776 0.000 0.957 556 F CB 1.529 40.311 39.000 -0.364 0.000 1.286 556 F HN 0.612 nan 8.300 nan 0.000 0.440 557 G N 0.973 109.312 108.800 -0.769 0.000 2.559 557 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 557 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 557 G C -2.813 172.275 174.900 0.313 0.000 1.424 557 G CA -0.885 44.085 45.100 -0.216 0.000 0.786 557 G HN 1.096 nan 8.290 nan 0.000 0.485 558 F N 0.084 120.139 119.950 0.174 0.000 2.615 558 F HA 0.541 5.068 4.527 -0.000 0.000 0.312 558 F C -0.175 175.400 175.800 -0.376 0.000 1.119 558 F CA -0.685 57.312 58.000 -0.005 0.000 0.979 558 F CB 2.066 41.123 39.000 0.094 0.000 1.266 558 F HN 0.522 nan 8.300 nan 0.000 0.444 559 Q N 2.395 121.192 119.800 -1.671 0.000 2.312 559 Q HA 0.630 4.970 4.340 -0.000 0.000 0.236 559 Q C -0.894 174.724 176.000 -0.637 0.000 0.965 559 Q CA -0.374 54.582 55.803 -1.412 0.000 0.894 559 Q CB 1.800 29.357 28.738 -1.967 0.000 1.225 559 Q HN 0.724 nan 8.270 nan 0.000 0.478 560 S N 0.076 115.505 115.700 -0.451 0.000 2.537 560 S HA 0.496 4.966 4.470 -0.000 0.000 0.270 560 S C -0.932 173.579 174.600 -0.148 0.000 1.142 560 S CA -0.872 57.213 58.200 -0.192 0.000 0.870 560 S CB 0.513 63.611 63.200 -0.171 0.000 1.112 560 S HN 0.355 nan 8.310 nan 0.000 0.466 561 F N 3.167 123.015 119.950 -0.170 0.000 2.563 561 F HA 0.353 4.880 4.527 -0.000 0.000 0.363 561 F C -1.416 174.318 175.800 -0.111 0.000 1.123 561 F CA -1.018 56.925 58.000 -0.096 0.000 1.307 561 F CB 0.259 39.229 39.000 -0.049 0.000 1.115 561 F HN 0.422 nan 8.300 nan 0.000 0.592 562 P HA 0.068 nan 4.420 nan 0.000 0.274 562 P C -0.769 176.594 177.300 0.105 0.000 1.256 562 P CA -0.556 62.584 63.100 0.066 0.000 0.795 562 P CB 0.554 32.313 31.700 0.098 0.000 1.038 563 E N 0.905 121.164 120.200 0.098 0.000 2.425 563 E HA -0.010 4.340 4.350 -0.000 0.000 0.258 563 E C 1.062 177.731 176.600 0.116 0.000 1.151 563 E CA -0.539 55.940 56.400 0.131 0.000 0.958 563 E CB 0.094 29.937 29.700 0.239 0.000 0.968 563 E HN 0.162 nan 8.360 nan 0.000 0.451 564 M N 1.532 121.190 119.600 0.097 0.000 2.144 564 M HA -0.199 4.280 4.480 -0.000 0.000 0.260 564 M C 2.031 178.322 176.300 -0.016 0.000 1.067 564 M CA 2.203 57.499 55.300 -0.007 0.000 1.095 564 M CB -1.324 31.261 32.600 -0.025 0.000 1.365 564 M HN 0.711 nan 8.290 nan 0.000 0.406 565 K N -1.390 119.034 120.400 0.040 0.000 2.147 565 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 565 K C 1.701 178.292 176.600 -0.014 0.000 1.049 565 K CA 1.756 58.050 56.287 0.012 0.000 0.936 565 K CB -0.737 31.776 32.500 0.022 0.000 0.722 565 K HN 0.182 nan 8.250 nan 0.000 0.446 566 T N 1.865 116.453 114.554 0.056 0.000 2.851 566 T HA 0.080 4.430 4.350 -0.000 0.000 0.262 566 T C 1.912 176.663 174.700 0.084 0.000 1.043 566 T CA 0.929 63.122 62.100 0.155 0.000 1.140 566 T CB -0.147 68.902 68.868 0.303 0.000 0.872 566 T HN 0.174 nan 8.240 nan 0.000 0.446 567 I N 1.610 122.135 120.570 -0.075 0.000 2.264 567 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 567 I C 2.865 178.648 176.117 -0.556 0.000 1.111 567 I CA 1.096 62.078 61.300 -0.530 0.000 1.382 567 I CB -0.471 37.355 38.000 -0.289 0.000 1.060 567 I HN 0.182 nan 8.210 nan 0.000 0.418 568 A N 0.729 123.438 122.820 -0.186 0.000 2.067 568 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 568 A C 2.499 180.105 177.584 0.037 0.000 1.158 568 A CA 1.486 53.528 52.037 0.008 0.000 0.661 568 A CB -0.555 18.488 19.000 0.072 0.000 0.801 568 A HN 0.433 nan 8.150 nan 0.000 0.452 569 A N -0.660 122.175 122.820 0.026 0.000 2.067 569 A HA 0.145 4.465 4.320 -0.000 0.000 0.219 569 A C 1.621 179.427 177.584 0.369 0.000 1.158 569 A CA 1.355 53.512 52.037 0.200 0.000 0.661 569 A CB -0.594 18.514 19.000 0.179 0.000 0.801 569 A HN 1.120 nan 8.150 nan 0.000 0.452 570 F N -3.664 116.323 119.950 0.062 0.000 2.746 570 F HA 0.757 5.284 4.527 -0.000 0.000 0.320 570 F C 0.227 175.633 175.800 -0.657 0.000 1.097 570 F CA -0.300 57.540 58.000 -0.267 0.000 1.195 570 F CB 0.080 38.849 39.000 -0.383 0.000 1.056 570 F HN 0.176 nan 8.300 nan 0.000 0.562 571 A N 1.287 123.750 122.820 -0.595 0.000 2.486 571 A HA 0.839 5.158 4.320 -0.000 0.000 0.300 571 A C -0.633 176.892 177.584 -0.099 0.000 1.048 571 A CA -0.451 51.350 52.037 -0.394 0.000 0.696 571 A CB 0.777 19.537 19.000 -0.400 0.000 1.278 571 A HN 0.544 nan 8.150 nan 0.000 0.405 572 A N 2.560 125.325 122.820 -0.092 0.000 2.322 572 A HA 0.681 5.001 4.320 -0.000 0.000 0.269 572 A C -1.748 175.498 177.584 -0.563 0.000 1.094 572 A CA -1.460 50.490 52.037 -0.144 0.000 0.807 572 A CB -0.055 18.926 19.000 -0.031 0.000 1.047 572 A HN 0.502 nan 8.150 nan 0.000 0.487 573 P HA -0.146 nan 4.420 nan 0.000 0.218 573 P C 0.669 177.498 177.300 -0.786 0.000 1.148 573 P CA 1.453 63.766 63.100 -1.311 0.000 0.822 573 P CB 0.081 31.411 31.700 -0.617 0.000 0.784 574 E N -0.552 119.398 120.200 -0.416 0.000 2.333 574 E HA -0.174 4.176 4.350 -0.000 0.000 0.200 574 E C 0.840 177.298 176.600 -0.236 0.000 1.010 574 E CA 1.140 57.392 56.400 -0.247 0.000 0.841 574 E CB -0.614 28.998 29.700 -0.146 0.000 0.757 574 E HN 0.387 nan 8.360 nan 0.000 0.508 575 D N -1.063 119.146 120.400 -0.318 0.000 2.469 575 D HA -0.008 4.632 4.640 -0.000 0.000 0.213 575 D C -0.344 175.823 176.300 -0.222 0.000 1.135 575 D CA -0.090 53.788 54.000 -0.204 0.000 0.834 575 D CB 0.215 40.936 40.800 -0.131 0.000 1.009 575 D HN 0.174 nan 8.370 nan 0.000 0.507 576 Y N 2.196 122.214 120.300 -0.471 0.000 2.758 576 Y HA 0.254 4.804 4.550 -0.000 0.000 0.351 576 Y C 0.419 175.721 175.900 -0.996 0.000 1.214 576 Y CA -0.217 57.276 58.100 -1.011 0.000 1.983 576 Y CB -1.152 36.828 38.460 -0.800 0.000 2.062 576 Y HN -0.115 nan 8.280 nan 0.000 0.416 577 Q N 0.087 119.593 119.800 -0.490 0.000 2.433 577 Q HA 0.382 4.722 4.340 -0.000 0.000 0.279 577 Q C 1.284 177.276 176.000 -0.013 0.000 1.105 577 Q CA -0.737 54.954 55.803 -0.187 0.000 0.815 577 Q CB 1.863 30.562 28.738 -0.066 0.000 1.403 577 Q HN 0.520 nan 8.270 nan 0.000 0.435 578 I N -2.397 118.266 120.570 0.155 0.000 3.083 578 I HA -0.009 4.161 4.170 -0.000 0.000 0.273 578 I C -0.136 176.113 176.117 0.220 0.000 1.297 578 I CA 1.364 62.803 61.300 0.230 0.000 1.452 578 I CB 0.315 38.255 38.000 -0.099 0.000 1.078 578 I HN 0.588 nan 8.210 nan 0.000 0.484 579 E N 1.009 121.275 120.200 0.110 0.000 3.191 579 E HA 0.161 4.511 4.350 -0.000 0.000 0.192 579 E C 0.325 176.962 176.600 0.062 0.000 0.972 579 E CA -0.162 56.295 56.400 0.096 0.000 1.266 579 E CB 0.706 30.444 29.700 0.064 0.000 1.076 579 E HN 0.562 nan 8.360 nan 0.000 0.462 580 S N -0.664 115.064 115.700 0.047 0.000 2.592 580 S HA -0.003 4.466 4.470 -0.000 0.000 0.256 580 S C 1.334 175.969 174.600 0.059 0.000 1.369 580 S CA -0.315 57.901 58.200 0.026 0.000 0.984 580 S CB 1.073 64.266 63.200 -0.011 0.000 0.919 580 S HN 0.307 nan 8.310 nan 0.000 0.576 581 E N -0.302 119.929 120.200 0.052 0.000 2.031 581 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 581 E C 1.952 178.616 176.600 0.107 0.000 0.994 581 E CA 1.305 57.747 56.400 0.071 0.000 0.800 581 E CB -0.266 29.471 29.700 0.062 0.000 0.752 581 E HN 0.525 nan 8.360 nan 0.000 0.447 582 V N 0.960 120.937 119.914 0.104 0.000 2.392 582 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 582 V C 2.368 178.601 176.094 0.230 0.000 1.059 582 V CA 1.752 64.141 62.300 0.148 0.000 1.051 582 V CB -0.360 31.498 31.823 0.059 0.000 0.658 582 V HN 0.359 nan 8.190 nan 0.000 0.455 583 M N 0.263 119.980 119.600 0.196 0.000 2.229 583 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 583 M C 1.763 178.202 176.300 0.232 0.000 1.063 583 M CA 1.519 56.989 55.300 0.283 0.000 1.114 583 M CB -0.718 32.050 32.600 0.280 0.000 1.387 583 M HN 0.265 nan 8.290 nan 0.000 0.420 584 N N 0.078 118.882 118.700 0.173 0.000 2.270 584 N HA 0.037 4.777 4.740 -0.000 0.000 0.181 584 N C 1.565 177.142 175.510 0.112 0.000 1.016 584 N CA 1.387 54.510 53.050 0.123 0.000 0.870 584 N CB -0.352 38.191 38.487 0.094 0.000 0.979 584 N HN 0.450 nan 8.380 nan 0.000 0.431 585 A N 0.024 122.945 122.820 0.168 0.000 2.070 585 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 585 A C 0.561 178.158 177.584 0.022 0.000 1.159 585 A CA 1.253 53.375 52.037 0.141 0.000 0.656 585 A CB -0.504 18.622 19.000 0.210 0.000 0.800 585 A HN 0.344 nan 8.150 nan 0.000 0.453 586 H N -1.536 117.445 119.070 -0.150 0.000 2.539 586 H HA 0.492 5.048 4.556 -0.000 0.000 0.293 586 H C -0.376 174.719 175.328 -0.387 0.000 1.156 586 H CA 0.180 55.942 56.048 -0.476 0.000 1.012 586 H CB 0.166 29.249 29.762 -1.132 0.000 1.600 586 H HN 0.498 nan 8.280 nan 0.000 0.538 587 Q N 0.804 120.545 119.800 -0.099 0.000 2.281 587 Q HA 0.311 4.651 4.340 -0.000 0.000 0.263 587 Q C -0.790 175.204 176.000 -0.011 0.000 0.989 587 Q CA -0.649 55.083 55.803 -0.119 0.000 0.852 587 Q CB 1.133 29.795 28.738 -0.127 0.000 1.337 587 Q HN -0.011 nan 8.270 nan 0.000 0.418 588 K N 1.718 122.136 120.400 0.029 0.000 2.520 588 K HA 0.236 4.556 4.320 -0.000 0.000 0.206 588 K C -0.067 176.617 176.600 0.140 0.000 1.122 588 K CA -0.134 56.211 56.287 0.097 0.000 1.045 588 K CB 1.464 34.077 32.500 0.188 0.000 0.932 588 K HN 0.547 nan 8.250 nan 0.000 0.571 589 S N 1.017 116.830 115.700 0.188 0.000 2.652 589 S HA 0.099 4.569 4.470 -0.000 0.000 0.270 589 S C 1.378 176.113 174.600 0.225 0.000 1.243 589 S CA -0.096 58.303 58.200 0.333 0.000 0.999 589 S CB 1.087 64.647 63.200 0.602 0.000 0.973 589 S HN 0.325 nan 8.310 nan 0.000 0.544 590 S N 1.845 117.690 115.700 0.243 0.000 2.547 590 S HA 0.078 4.548 4.470 -0.000 0.000 0.235 590 S C 0.696 175.381 174.600 0.141 0.000 0.980 590 S CA 0.538 58.818 58.200 0.133 0.000 0.941 590 S CB -1.094 62.132 63.200 0.042 0.000 0.763 590 S HN 0.746 nan 8.310 nan 0.000 0.532 591 I N -4.797 115.891 120.570 0.196 0.000 2.918 591 I HA 0.844 5.014 4.170 -0.000 0.000 0.301 591 I C 0.097 176.262 176.117 0.080 0.000 1.312 591 I CA -1.098 60.235 61.300 0.056 0.000 1.007 591 I CB 1.463 39.420 38.000 -0.072 0.000 1.281 591 I HN 0.062 nan 8.210 nan 0.000 0.440 592 G N 2.587 111.405 108.800 0.030 0.000 3.324 592 G HA2 0.168 4.128 3.960 -0.000 0.000 0.188 592 G HA3 0.168 4.128 3.960 -0.000 0.000 0.188 592 G C 0.259 175.236 174.900 0.129 0.000 1.384 592 G CA -0.026 45.144 45.100 0.117 0.000 0.841 592 G HN 0.599 nan 8.290 nan 0.000 0.758 593 N N 1.512 120.306 118.700 0.157 0.000 2.096 593 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 593 N C 2.518 178.146 175.510 0.196 0.000 1.017 593 N CA 2.102 55.306 53.050 0.257 0.000 0.870 593 N CB -0.508 38.134 38.487 0.257 0.000 1.024 593 N HN 0.438 nan 8.380 nan 0.000 0.434 594 S N 0.488 116.248 115.700 0.101 0.000 2.382 594 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 594 S C 1.963 176.605 174.600 0.070 0.000 1.027 594 S CA 0.586 58.828 58.200 0.069 0.000 0.991 594 S CB -0.555 62.661 63.200 0.026 0.000 0.823 594 S HN 0.161 nan 8.310 nan 0.000 0.469 595 L N 1.527 122.743 121.223 -0.012 0.000 2.093 595 L HA 0.203 4.543 4.340 -0.000 0.000 0.208 595 L C 2.251 179.220 176.870 0.165 0.000 1.085 595 L CA 1.271 56.062 54.840 -0.082 0.000 0.755 595 L CB -0.765 40.933 42.059 -0.603 0.000 0.904 595 L HN 0.379 nan 8.230 nan 0.000 0.435 596 I N -1.014 119.693 120.570 0.229 0.000 2.226 596 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 596 I C 2.700 179.055 176.117 0.397 0.000 1.100 596 I CA 1.251 62.784 61.300 0.389 0.000 1.374 596 I CB -0.345 37.883 38.000 0.381 0.000 1.057 596 I HN 0.273 nan 8.210 nan 0.000 0.413 597 R N 0.487 121.218 120.500 0.385 0.000 2.081 597 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 597 R C 2.241 178.680 176.300 0.232 0.000 1.131 597 R CA 2.112 58.423 56.100 0.351 0.000 0.960 597 R CB -0.316 30.152 30.300 0.279 0.000 0.856 597 R HN 0.267 nan 8.270 nan 0.000 0.436 598 T N 0.134 114.802 114.554 0.191 0.000 2.674 598 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 598 T C 1.475 176.230 174.700 0.093 0.000 1.039 598 T CA 1.683 63.842 62.100 0.097 0.000 1.150 598 T CB -0.447 68.439 68.868 0.031 0.000 0.864 598 T HN 0.309 nan 8.240 nan 0.000 0.427 599 Y N 0.780 121.142 120.300 0.103 0.000 2.224 599 Y HA -0.049 4.501 4.550 0.000 0.000 0.289 599 Y C 2.562 178.529 175.900 0.112 0.000 1.146 599 Y CA 1.088 59.245 58.100 0.096 0.000 1.182 599 Y CB -0.447 38.141 38.460 0.214 0.000 0.983 599 Y HN 0.147 nan 8.280 nan 0.000 0.524 600 M N -0.133 119.648 119.600 0.302 0.000 2.108 600 M HA -0.244 4.236 4.480 -0.000 0.000 0.261 600 M C 2.332 178.739 176.300 0.178 0.000 1.066 600 M CA 1.838 57.265 55.300 0.211 0.000 1.107 600 M CB -0.187 32.449 32.600 0.059 0.000 1.356 600 M HN 0.180 nan 8.290 nan 0.000 0.406 601 E N 0.838 121.109 120.200 0.118 0.000 2.171 601 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 601 E C 1.780 178.383 176.600 0.005 0.000 0.997 601 E CA 1.489 57.921 56.400 0.053 0.000 0.810 601 E CB -0.164 29.557 29.700 0.036 0.000 0.738 601 E HN 0.600 nan 8.360 nan 0.000 0.467 602 R N -0.042 120.455 120.500 -0.005 0.000 2.152 602 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 602 R C 1.393 177.639 176.300 -0.090 0.000 1.117 602 R CA 1.438 57.505 56.100 -0.055 0.000 0.981 602 R CB 0.072 30.322 30.300 -0.084 0.000 0.870 602 R HN 0.159 nan 8.270 nan 0.000 0.451 603 D N -2.306 118.032 120.400 -0.104 0.000 2.480 603 D HA 0.107 4.747 4.640 -0.000 0.000 0.243 603 D C -0.547 175.316 176.300 -0.727 0.000 1.120 603 D CA 0.412 54.188 54.000 -0.373 0.000 0.835 603 D CB 0.844 41.408 40.800 -0.392 0.000 1.204 603 D HN 0.006 nan 8.370 nan 0.000 0.513 604 Y N 0.146 120.386 120.300 -0.099 0.000 2.562 604 Y HA 0.425 4.975 4.550 -0.000 0.000 0.345 604 Y C 0.061 175.889 175.900 -0.121 0.000 1.045 604 Y CA -0.947 57.078 58.100 -0.124 0.000 1.028 604 Y CB 1.683 40.059 38.460 -0.140 0.000 1.297 604 Y HN -0.323 nan 8.280 nan 0.000 0.463 605 I N 3.547 124.114 120.570 -0.006 0.000 2.471 605 I HA 0.128 4.298 4.170 -0.000 0.000 0.286 605 I C -0.204 175.942 176.117 0.049 0.000 1.079 605 I CA 0.027 61.286 61.300 -0.068 0.000 1.398 605 I CB 0.347 38.147 38.000 -0.333 0.000 1.403 605 I HN 0.389 nan 8.210 nan 0.000 0.530 606 I N 8.986 129.597 120.570 0.067 0.000 2.581 606 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 606 I C -1.842 174.357 176.117 0.137 0.000 1.129 606 I CA -1.333 60.038 61.300 0.119 0.000 1.397 606 I CB -0.102 37.988 38.000 0.151 0.000 1.399 606 I HN 0.318 nan 8.210 nan 0.000 0.537 607 P HA 0.067 nan 4.420 nan 0.000 0.272 607 P C 0.417 177.802 177.300 0.141 0.000 1.230 607 P CA -0.306 62.884 63.100 0.151 0.000 0.788 607 P CB 0.712 32.489 31.700 0.128 0.000 0.949 608 E N 0.022 120.289 120.200 0.111 0.000 2.046 608 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 608 E C 0.733 177.382 176.600 0.082 0.000 0.982 608 E CA 1.039 57.490 56.400 0.085 0.000 0.800 608 E CB -0.554 29.192 29.700 0.076 0.000 0.756 608 E HN 0.573 nan 8.360 nan 0.000 0.449 609 S N -0.039 115.716 115.700 0.092 0.000 2.584 609 S HA 0.131 4.601 4.470 -0.000 0.000 0.273 609 S C 0.928 175.608 174.600 0.133 0.000 1.311 609 S CA -0.748 57.518 58.200 0.110 0.000 1.034 609 S CB 0.972 64.230 63.200 0.097 0.000 0.939 609 S HN 0.106 nan 8.310 nan 0.000 0.513 610 F N 2.383 122.337 119.950 0.007 0.000 2.065 610 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 610 F C 2.100 177.901 175.800 0.002 0.000 1.112 610 F CA 2.352 60.336 58.000 -0.026 0.000 1.212 610 F CB -0.590 38.392 39.000 -0.031 0.000 0.975 610 F HN 0.736 nan 8.300 nan 0.000 0.476 611 E N 0.303 120.576 120.200 0.121 0.000 2.118 611 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 611 E C 1.843 178.436 176.600 -0.012 0.000 0.992 611 E CA 1.713 58.121 56.400 0.014 0.000 0.804 611 E CB -0.456 29.288 29.700 0.074 0.000 0.741 611 E HN 0.459 nan 8.360 nan 0.000 0.458 612 D N -0.579 119.841 120.400 0.035 0.000 2.149 612 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 612 D C 1.607 177.918 176.300 0.017 0.000 0.972 612 D CA 0.479 54.528 54.000 0.081 0.000 0.835 612 D CB -0.334 40.519 40.800 0.087 0.000 0.966 612 D HN 0.130 nan 8.370 nan 0.000 0.476 613 F N 1.467 121.299 119.950 -0.196 0.000 2.095 613 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 613 F C 2.175 177.731 175.800 -0.407 0.000 1.104 613 F CA 1.143 58.962 58.000 -0.301 0.000 1.232 613 F CB -0.214 38.567 39.000 -0.364 0.000 0.987 613 F HN -0.219 nan 8.300 nan 0.000 0.475 614 V N -0.078 119.617 119.914 -0.365 0.000 2.287 614 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 614 V C 2.103 178.038 176.094 -0.265 0.000 1.053 614 V CA 2.271 64.336 62.300 -0.392 0.000 1.027 614 V CB -1.192 30.367 31.823 -0.441 0.000 0.646 614 V HN 0.614 nan 8.190 nan 0.000 0.447 615 Y N 0.872 121.023 120.300 -0.247 0.000 2.145 615 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 615 Y C 2.319 178.045 175.900 -0.290 0.000 1.145 615 Y CA 1.947 59.932 58.100 -0.191 0.000 1.148 615 Y CB -0.676 37.754 38.460 -0.050 0.000 0.981 615 Y HN 0.045 nan 8.280 nan 0.000 0.507 616 V N 0.664 120.114 119.914 -0.774 0.000 2.427 616 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 616 V C 2.680 178.246 176.094 -0.881 0.000 1.051 616 V CA 1.858 63.559 62.300 -0.998 0.000 1.048 616 V CB -1.594 29.784 31.823 -0.742 0.000 0.666 616 V HN 0.649 nan 8.190 nan 0.000 0.456 617 G N -0.113 108.234 108.800 -0.755 0.000 2.442 617 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 617 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 617 G C 1.584 176.222 174.900 -0.437 0.000 1.141 617 G CA 0.976 45.735 45.100 -0.568 0.000 0.763 617 G HN 0.472 nan 8.290 nan 0.000 0.554 618 L N 0.105 121.042 121.223 -0.478 0.000 2.017 618 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 618 L C 3.007 179.498 176.870 -0.632 0.000 1.073 618 L CA 0.553 55.074 54.840 -0.531 0.000 0.745 618 L CB -0.581 41.125 42.059 -0.588 0.000 0.894 618 L HN 0.084 nan 8.230 nan 0.000 0.432 619 V N 0.011 119.523 119.914 -0.670 0.000 2.332 619 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 619 V C 2.389 178.167 176.094 -0.525 0.000 1.055 619 V CA 1.824 63.765 62.300 -0.597 0.000 1.038 619 V CB -0.465 30.946 31.823 -0.687 0.000 0.651 619 V HN 0.350 nan 8.190 nan 0.000 0.450 620 L N 0.100 120.968 121.223 -0.593 0.000 2.017 620 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 620 L C 2.499 179.122 176.870 -0.411 0.000 1.073 620 L CA 2.342 56.937 54.840 -0.409 0.000 0.745 620 L CB -0.917 40.938 42.059 -0.340 0.000 0.894 620 L HN 0.397 nan 8.230 nan 0.000 0.432 621 Q N -0.700 118.907 119.800 -0.322 0.000 2.084 621 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 621 Q C 2.017 177.763 176.000 -0.424 0.000 0.978 621 Q CA 1.790 57.444 55.803 -0.249 0.000 0.844 621 Q CB -0.480 28.209 28.738 -0.082 0.000 0.898 621 Q HN 0.664 nan 8.270 nan 0.000 0.426 622 G N 0.440 108.970 108.800 -0.449 0.000 2.418 622 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 622 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 622 G C 1.391 176.035 174.900 -0.426 0.000 1.158 622 G CA 0.522 45.355 45.100 -0.446 0.000 0.771 622 G HN 0.295 nan 8.290 nan 0.000 0.545 623 Q N 0.282 119.833 119.800 -0.414 0.000 2.083 623 Q HA -0.019 4.321 4.340 -0.000 0.000 0.198 623 Q C 2.819 178.501 176.000 -0.530 0.000 0.969 623 Q CA 1.374 56.962 55.803 -0.359 0.000 0.838 623 Q CB -0.606 27.991 28.738 -0.234 0.000 0.900 623 Q HN 0.454 nan 8.270 nan 0.000 0.436 624 G N 0.369 108.589 108.800 -0.966 0.000 2.394 624 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.215 624 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.215 624 G C 1.464 175.751 174.900 -1.020 0.000 1.165 624 G CA 0.330 44.297 45.100 -1.889 0.000 0.784 624 G HN 0.135 nan 8.290 nan 0.000 0.535 625 M N 0.260 119.434 119.600 -0.709 0.000 2.132 625 M HA 0.051 4.531 4.480 -0.000 0.000 0.263 625 M C 2.417 178.580 176.300 -0.229 0.000 1.065 625 M CA 0.914 56.017 55.300 -0.329 0.000 1.122 625 M CB -0.928 31.397 32.600 -0.458 0.000 1.365 625 M HN 0.265 nan 8.290 nan 0.000 0.411 626 R N -0.892 119.415 120.500 -0.321 0.000 2.105 626 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 626 R C 2.141 178.337 176.300 -0.174 0.000 1.135 626 R CA 1.873 57.816 56.100 -0.261 0.000 0.967 626 R CB -0.389 29.761 30.300 -0.252 0.000 0.861 626 R HN 0.381 nan 8.270 nan 0.000 0.442 627 H N -0.813 118.113 119.070 -0.240 0.000 2.387 627 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 627 H C 1.803 177.019 175.328 -0.186 0.000 1.090 627 H CA 2.129 58.068 56.048 -0.181 0.000 1.332 627 H CB -0.394 29.267 29.762 -0.168 0.000 1.386 627 H HN 0.371 nan 8.280 nan 0.000 0.516 628 G N 0.113 108.846 108.800 -0.112 0.000 2.394 628 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 628 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 628 G C 1.722 176.199 174.900 -0.705 0.000 1.176 628 G CA 0.745 45.612 45.100 -0.388 0.000 0.786 628 G HN 0.391 nan 8.290 nan 0.000 0.533 629 L N 0.244 121.356 121.223 -0.185 0.000 2.043 629 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 629 L C 2.892 179.687 176.870 -0.125 0.000 1.075 629 L CA 1.565 56.395 54.840 -0.018 0.000 0.752 629 L CB -0.482 41.560 42.059 -0.029 0.000 0.891 629 L HN 0.305 nan 8.230 nan 0.000 0.432 630 E N 0.029 120.093 120.200 -0.227 0.000 2.072 630 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 630 E C 2.334 178.755 176.600 -0.299 0.000 0.985 630 E CA 1.070 57.331 56.400 -0.231 0.000 0.801 630 E CB -0.188 29.365 29.700 -0.245 0.000 0.750 630 E HN 0.503 nan 8.360 nan 0.000 0.452 631 A N 0.980 123.541 122.820 -0.431 0.000 1.940 631 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 631 A C 1.683 179.153 177.584 -0.190 0.000 1.176 631 A CA 1.688 53.500 52.037 -0.376 0.000 0.631 631 A CB -0.867 17.877 19.000 -0.426 0.000 0.814 631 A HN 0.331 nan 8.150 nan 0.000 0.446 632 H N -0.874 118.136 119.070 -0.099 0.000 2.293 632 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 632 H C 2.492 177.875 175.328 0.092 0.000 1.082 632 H CA 1.309 57.383 56.048 0.044 0.000 1.308 632 H CB -0.076 29.739 29.762 0.089 0.000 1.375 632 H HN 0.387 nan 8.280 nan 0.000 0.495 633 R N 0.643 121.127 120.500 -0.027 0.000 2.091 633 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 633 R C 2.458 178.580 176.300 -0.297 0.000 1.136 633 R CA 1.272 57.055 56.100 -0.528 0.000 0.959 633 R CB -0.264 29.768 30.300 -0.448 0.000 0.856 633 R HN 0.295 nan 8.270 nan 0.000 0.437 634 R N 0.888 121.260 120.500 -0.214 0.000 2.120 634 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 634 R C 0.903 177.102 176.300 -0.167 0.000 1.123 634 R CA 1.250 57.197 56.100 -0.255 0.000 0.975 634 R CB 0.019 30.058 30.300 -0.435 0.000 0.866 634 R HN 0.218 nan 8.270 nan 0.000 0.446 635 N N 1.020 119.681 118.700 -0.064 0.000 2.295 635 N HA -0.038 4.702 4.740 -0.000 0.000 0.221 635 N C -0.417 175.196 175.510 0.170 0.000 1.129 635 N CA -0.058 53.023 53.050 0.052 0.000 0.836 635 N CB 0.326 38.859 38.487 0.077 0.000 1.040 635 N HN 0.192 nan 8.380 nan 0.000 0.494 636 R N 2.401 122.978 120.500 0.129 0.000 2.491 636 R HA 0.091 4.431 4.340 -0.000 0.000 0.283 636 R C -1.672 174.714 176.300 0.143 0.000 1.072 636 R CA -0.751 55.460 56.100 0.186 0.000 1.048 636 R CB 0.750 31.119 30.300 0.116 0.000 0.983 636 R HN -0.006 nan 8.270 nan 0.000 0.450 637 P HA -0.014 nan 4.420 nan 0.000 0.267 637 P C 0.484 177.873 177.300 0.148 0.000 1.289 637 P CA 0.109 63.285 63.100 0.127 0.000 0.866 637 P CB -0.012 31.712 31.700 0.040 0.000 1.309 638 Y N 0.967 121.326 120.300 0.097 0.000 2.114 638 Y HA -0.165 4.385 4.550 0.000 0.000 0.282 638 Y C 1.108 177.088 175.900 0.133 0.000 1.165 638 Y CA 1.284 59.449 58.100 0.109 0.000 1.148 638 Y CB -0.507 38.013 38.460 0.101 0.000 0.972 638 Y HN 0.030 nan 8.280 nan 0.000 0.504 639 C N 2.078 121.561 119.300 0.305 0.000 2.319 639 C HA 0.404 4.864 4.460 -0.000 0.000 0.335 639 C C 0.611 175.746 174.990 0.241 0.000 1.274 639 C CA -0.787 58.365 59.018 0.224 0.000 1.806 639 C CB 0.078 27.988 27.740 0.283 0.000 2.329 639 C HN 0.602 nan 8.230 nan 0.000 0.524 640 M N 4.585 124.209 119.600 0.040 0.000 2.416 640 M HA 0.321 4.801 4.480 -0.000 0.000 0.337 640 M C 0.484 176.270 176.300 -0.857 0.000 1.074 640 M CA 0.202 55.441 55.300 -0.103 0.000 0.968 640 M CB 0.041 32.761 32.600 0.201 0.000 1.472 640 M HN 0.999 nan 8.290 nan 0.000 0.539 641 G N -0.399 107.556 108.800 -1.408 0.000 2.387 641 G HA2 0.376 4.336 3.960 -0.000 0.000 0.294 641 G HA3 0.376 4.336 3.960 -0.000 0.000 0.294 641 G C -1.660 172.432 174.900 -1.346 0.000 1.509 641 G CA -0.379 43.575 45.100 -1.910 0.000 0.806 641 G HN -0.097 nan 8.290 nan 0.000 0.546 642 T N 0.209 114.296 114.554 -0.778 0.000 3.109 642 T HA 0.583 4.933 4.350 -0.000 0.000 0.311 642 T C -1.215 173.472 174.700 -0.022 0.000 1.011 642 T CA -0.451 61.507 62.100 -0.236 0.000 1.026 642 T CB 0.561 69.605 68.868 0.292 0.000 1.047 642 T HN 0.595 nan 8.240 nan 0.000 0.448 643 L N 6.662 127.898 121.223 0.022 0.000 2.345 643 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 643 L C -0.238 176.665 176.870 0.056 0.000 0.999 643 L CA -1.328 53.507 54.840 -0.009 0.000 0.849 643 L CB 0.853 42.863 42.059 -0.082 0.000 1.220 643 L HN 0.718 nan 8.230 nan 0.000 0.422 644 Y N 0.436 120.743 120.300 0.012 0.000 2.379 644 Y HA 0.260 4.810 4.550 0.000 0.000 0.337 644 Y C -0.301 175.439 175.900 -0.266 0.000 1.238 644 Y CA -0.831 57.119 58.100 -0.250 0.000 1.405 644 Y CB 0.745 38.901 38.460 -0.507 0.000 1.310 644 Y HN 0.562 nan 8.280 nan 0.000 0.569 645 W N 6.641 127.814 121.300 -0.212 0.000 2.308 645 W HA 0.360 5.020 4.660 0.000 0.000 0.311 645 W C -1.444 175.062 176.519 -0.022 0.000 1.088 645 W CA -0.625 56.615 57.345 -0.176 0.000 1.309 645 W CB 1.198 30.621 29.460 -0.062 0.000 1.229 645 W HN 0.930 nan 8.180 nan 0.000 0.427 646 Q N 3.903 123.397 119.800 -0.511 0.000 2.553 646 Q HA 0.260 4.600 4.340 -0.000 0.000 0.293 646 Q C -0.462 175.170 176.000 -0.614 0.000 1.038 646 Q CA -0.854 54.248 55.803 -1.169 0.000 0.777 646 Q CB 1.845 29.449 28.738 -1.890 0.000 1.487 646 Q HN 0.390 nan 8.270 nan 0.000 0.426 647 L N 1.112 121.917 121.223 -0.696 0.000 2.044 647 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 647 L C 0.060 176.696 176.870 -0.390 0.000 1.075 647 L CA 1.976 56.549 54.840 -0.445 0.000 0.747 647 L CB -0.230 41.578 42.059 -0.418 0.000 0.903 647 L HN 0.885 nan 8.230 nan 0.000 0.435 648 N N -2.223 116.168 118.700 -0.515 0.000 2.902 648 N HA 0.285 5.025 4.740 -0.000 0.000 0.268 648 N C -1.638 173.577 175.510 -0.490 0.000 1.450 648 N CA -0.680 52.103 53.050 -0.444 0.000 0.819 648 N CB 1.120 39.365 38.487 -0.403 0.000 1.540 648 N HN -0.131 nan 8.380 nan 0.000 0.545 649 D N -0.834 119.364 120.400 -0.336 0.000 2.575 649 D HA 0.284 4.924 4.640 -0.000 0.000 0.236 649 D C 0.333 176.592 176.300 -0.068 0.000 1.075 649 D CA -0.373 53.483 54.000 -0.239 0.000 0.860 649 D CB 2.181 42.907 40.800 -0.123 0.000 1.475 649 D HN 0.606 nan 8.370 nan 0.000 0.474 650 S N 0.401 116.114 115.700 0.022 0.000 2.548 650 S HA 0.134 4.604 4.470 -0.000 0.000 0.215 650 S C 0.386 175.023 174.600 0.062 0.000 0.976 650 S CA -0.210 58.091 58.200 0.170 0.000 0.908 650 S CB 0.220 63.570 63.200 0.250 0.000 0.781 650 S HN 0.607 nan 8.310 nan 0.000 0.519 651 W N -0.684 120.267 121.300 -0.581 0.000 2.982 651 W HA 0.503 5.163 4.660 -0.000 0.000 0.344 651 W C -3.876 172.151 176.519 -0.820 0.000 1.215 651 W CA -2.524 53.929 57.345 -1.486 0.000 1.182 651 W CB -0.260 28.233 29.460 -1.610 0.000 1.437 651 W HN -0.233 nan 8.180 nan 0.000 0.570 652 P HA 0.320 nan 4.420 nan 0.000 0.270 652 P C -0.469 176.171 177.300 -1.100 0.000 1.242 652 P CA 0.513 63.306 63.100 -0.511 0.000 0.768 652 P CB 1.176 32.922 31.700 0.076 0.000 0.820 653 V N 4.362 123.759 119.914 -0.862 0.000 3.264 653 V HA 0.254 4.374 4.120 -0.000 0.000 0.294 653 V C -1.118 174.664 176.094 -0.519 0.000 1.429 653 V CA -0.946 60.782 62.300 -0.952 0.000 1.053 653 V CB 2.648 33.797 31.823 -1.123 0.000 1.128 653 V HN 0.036 nan 8.190 nan 0.000 0.452 654 V N 4.623 124.225 119.914 -0.519 0.000 2.455 654 V HA 0.741 4.861 4.120 -0.000 0.000 0.273 654 V C 0.390 176.185 176.094 -0.498 0.000 1.045 654 V CA 0.899 62.864 62.300 -0.558 0.000 0.976 654 V CB 0.521 31.849 31.823 -0.825 0.000 0.993 654 V HN 1.171 nan 8.190 nan 0.000 0.475 655 S N 3.844 119.243 115.700 -0.501 0.000 2.727 655 S HA 0.430 4.899 4.470 -0.000 0.000 0.278 655 S C -0.199 174.073 174.600 -0.546 0.000 1.186 655 S CA -0.837 57.064 58.200 -0.498 0.000 0.836 655 S CB 1.142 64.295 63.200 -0.078 0.000 1.186 655 S HN 0.519 nan 8.310 nan 0.000 0.499 656 W N 2.455 123.620 121.300 -0.226 0.000 3.180 656 W HA 0.175 4.835 4.660 -0.000 0.000 0.254 656 W C 1.209 177.572 176.519 -0.261 0.000 1.318 656 W CA 0.304 57.511 57.345 -0.229 0.000 1.608 656 W CB -0.574 28.915 29.460 0.047 0.000 1.124 656 W HN 0.803 nan 8.180 nan 0.000 0.694 657 S N 0.698 116.328 115.700 -0.117 0.000 2.573 657 S HA 0.016 4.486 4.470 -0.000 0.000 0.277 657 S C 1.251 175.742 174.600 -0.183 0.000 1.346 657 S CA 0.315 58.392 58.200 -0.204 0.000 1.034 657 S CB 1.560 64.611 63.200 -0.249 0.000 0.879 657 S HN 0.133 nan 8.310 nan 0.000 0.528 658 S N 1.523 117.136 115.700 -0.146 0.000 2.524 658 S HA 0.315 4.785 4.470 -0.000 0.000 0.216 658 S C 0.290 174.758 174.600 -0.221 0.000 0.987 658 S CA -0.405 57.697 58.200 -0.164 0.000 0.909 658 S CB -0.603 62.573 63.200 -0.040 0.000 0.781 658 S HN 0.718 nan 8.310 nan 0.000 0.521 659 I N 3.247 123.662 120.570 -0.260 0.000 2.478 659 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 659 I C -0.924 175.098 176.117 -0.160 0.000 1.042 659 I CA -0.993 60.155 61.300 -0.254 0.000 1.067 659 I CB 1.930 39.683 38.000 -0.411 0.000 1.233 659 I HN 0.119 nan 8.210 nan 0.000 0.431 660 D N 4.531 124.896 120.400 -0.057 0.000 2.393 660 D HA -0.096 4.544 4.640 -0.000 0.000 0.246 660 D C 1.051 177.339 176.300 -0.019 0.000 1.275 660 D CA -0.049 53.940 54.000 -0.018 0.000 0.979 660 D CB 0.546 41.393 40.800 0.078 0.000 1.101 660 D HN 0.544 nan 8.370 nan 0.000 0.505 661 Y N -0.263 119.944 120.300 -0.156 0.000 2.241 661 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 661 Y C 1.205 176.928 175.900 -0.296 0.000 1.166 661 Y CA 1.540 59.470 58.100 -0.284 0.000 1.203 661 Y CB -0.335 37.864 38.460 -0.434 0.000 0.977 661 Y HN 0.416 nan 8.280 nan 0.000 0.529 662 Y N -0.260 120.007 120.300 -0.054 0.000 2.490 662 Y HA 0.265 4.814 4.550 -0.000 0.000 0.281 662 Y C 1.905 177.775 175.900 -0.050 0.000 1.174 662 Y CA 0.410 58.465 58.100 -0.075 0.000 1.295 662 Y CB 0.002 38.512 38.460 0.084 0.000 1.062 662 Y HN 0.220 nan 8.280 nan 0.000 0.522 663 G N -0.089 108.733 108.800 0.037 0.000 2.157 663 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 663 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 663 G C -0.144 174.861 174.900 0.175 0.000 0.979 663 G CA -0.294 44.839 45.100 0.056 0.000 0.650 663 G HN 0.290 nan 8.290 nan 0.000 0.529 664 N N 0.353 119.176 118.700 0.205 0.000 2.470 664 N HA 0.258 4.998 4.740 -0.000 0.000 0.268 664 N C -0.010 175.693 175.510 0.321 0.000 1.136 664 N CA 0.048 53.264 53.050 0.276 0.000 0.961 664 N CB 0.428 39.077 38.487 0.270 0.000 1.067 664 N HN 0.225 nan 8.380 nan 0.000 0.468 665 W N 2.473 123.799 121.300 0.044 0.000 2.303 665 W HA 0.170 4.829 4.660 -0.000 0.000 0.318 665 W C 1.114 177.667 176.519 0.057 0.000 1.362 665 W CA -0.339 56.960 57.345 -0.076 0.000 1.234 665 W CB 0.059 29.333 29.460 -0.310 0.000 1.248 665 W HN 0.213 nan 8.180 nan 0.000 0.546 666 K N 2.103 122.552 120.400 0.081 0.000 2.118 666 K HA 0.350 4.670 4.320 -0.000 0.000 0.240 666 K C 1.279 177.721 176.600 -0.264 0.000 1.035 666 K CA -0.000 56.203 56.287 -0.139 0.000 0.899 666 K CB 0.506 32.856 32.500 -0.249 0.000 1.085 666 K HN 0.463 nan 8.250 nan 0.000 0.498 667 A N 1.130 123.336 122.820 -1.023 0.000 1.948 667 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 667 A C 2.003 179.359 177.584 -0.380 0.000 1.177 667 A CA 1.638 53.067 52.037 -1.013 0.000 0.636 667 A CB -0.574 17.542 19.000 -1.472 0.000 0.815 667 A HN 0.644 nan 8.150 nan 0.000 0.449 668 L N -0.935 120.029 121.223 -0.432 0.000 2.081 668 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 668 L C 2.216 178.830 176.870 -0.426 0.000 1.080 668 L CA 2.803 57.380 54.840 -0.439 0.000 0.754 668 L CB -0.891 40.873 42.059 -0.491 0.000 0.893 668 L HN 0.588 nan 8.230 nan 0.000 0.433 669 H N -2.042 116.770 119.070 -0.431 0.000 2.357 669 H HA -0.146 4.410 4.556 -0.000 0.000 0.301 669 H C 1.896 176.938 175.328 -0.477 0.000 1.082 669 H CA 2.310 57.985 56.048 -0.622 0.000 1.342 669 H CB -0.190 28.936 29.762 -1.061 0.000 1.389 669 H HN 0.469 nan 8.280 nan 0.000 0.511 670 Y N 0.059 120.378 120.300 0.032 0.000 2.224 670 Y HA -0.199 4.351 4.550 -0.000 0.000 0.289 670 Y C 2.564 178.421 175.900 -0.072 0.000 1.146 670 Y CA 1.040 59.239 58.100 0.164 0.000 1.182 670 Y CB -0.128 38.510 38.460 0.297 0.000 0.983 670 Y HN 0.242 nan 8.280 nan 0.000 0.524 671 Q N -0.179 119.594 119.800 -0.046 0.000 2.167 671 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 671 Q C 2.522 178.311 176.000 -0.351 0.000 0.970 671 Q CA 1.257 56.951 55.803 -0.181 0.000 0.855 671 Q CB -0.508 28.076 28.738 -0.258 0.000 0.911 671 Q HN 0.552 nan 8.270 nan 0.000 0.438 672 A N 1.348 123.847 122.820 -0.534 0.000 1.897 672 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 672 A C 2.136 179.337 177.584 -0.638 0.000 1.181 672 A CA 1.519 53.059 52.037 -0.828 0.000 0.620 672 A CB -0.393 18.071 19.000 -0.894 0.000 0.821 672 A HN 0.287 nan 8.150 nan 0.000 0.443 673 K N -0.138 120.027 120.400 -0.390 0.000 2.044 673 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 673 K C 2.237 178.817 176.600 -0.033 0.000 1.049 673 K CA 1.868 58.082 56.287 -0.121 0.000 0.927 673 K CB -0.203 32.315 32.500 0.029 0.000 0.713 673 K HN 0.458 nan 8.250 nan 0.000 0.443 674 R N -0.235 120.234 120.500 -0.053 0.000 2.066 674 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 674 R C 2.423 178.694 176.300 -0.049 0.000 1.131 674 R CA 1.282 57.370 56.100 -0.021 0.000 0.955 674 R CB -0.381 29.912 30.300 -0.012 0.000 0.851 674 R HN 0.269 nan 8.270 nan 0.000 0.432 675 A N 0.338 123.063 122.820 -0.158 0.000 2.067 675 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 675 A C 1.239 178.862 177.584 0.064 0.000 1.158 675 A CA 1.042 52.991 52.037 -0.147 0.000 0.661 675 A CB -0.199 18.613 19.000 -0.314 0.000 0.801 675 A HN 0.194 nan 8.150 nan 0.000 0.452 676 F N -0.361 119.559 119.950 -0.050 0.000 2.727 676 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 676 F C 1.412 177.195 175.800 -0.029 0.000 1.097 676 F CA -0.936 57.042 58.000 -0.036 0.000 1.330 676 F CB -0.977 38.000 39.000 -0.039 0.000 1.084 676 F HN 0.168 nan 8.300 nan 0.000 0.578 677 A N 1.419 124.329 122.820 0.151 0.000 2.540 677 A HA 0.156 4.476 4.320 -0.000 0.000 0.239 677 A C -1.161 176.466 177.584 0.073 0.000 1.061 677 A CA -0.738 51.355 52.037 0.093 0.000 0.758 677 A CB -0.201 18.836 19.000 0.061 0.000 0.991 677 A HN 0.080 nan 8.150 nan 0.000 0.502 678 P HA -0.110 nan 4.420 nan 0.000 0.216 678 P C 0.051 177.385 177.300 0.056 0.000 1.154 678 P CA 1.176 64.316 63.100 0.066 0.000 0.865 678 P CB 0.050 31.798 31.700 0.080 0.000 0.789 679 V N 0.172 120.114 119.914 0.046 0.000 2.409 679 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 679 V C -0.378 175.730 176.094 0.022 0.000 1.020 679 V CA -0.691 61.629 62.300 0.033 0.000 0.848 679 V CB 1.681 33.522 31.823 0.030 0.000 0.990 679 V HN -0.165 nan 8.190 nan 0.000 0.430 680 L N 6.820 128.052 121.223 0.015 0.000 2.381 680 L HA 0.661 5.001 4.340 -0.000 0.000 0.274 680 L C -0.583 176.293 176.870 0.011 0.000 0.988 680 L CA -0.027 54.818 54.840 0.008 0.000 0.824 680 L CB 1.652 43.711 42.059 -0.001 0.000 1.263 680 L HN 0.558 nan 8.230 nan 0.000 0.410 681 I N 4.809 125.384 120.570 0.008 0.000 2.352 681 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 681 I C 0.182 176.311 176.117 0.020 0.000 1.036 681 I CA 0.065 61.374 61.300 0.015 0.000 1.336 681 I CB 0.597 38.597 38.000 0.001 0.000 1.407 681 I HN 0.647 nan 8.210 nan 0.000 0.497 682 N N 8.750 127.477 118.700 0.045 0.000 2.696 682 N HA 0.338 5.078 4.740 -0.000 0.000 0.246 682 N C -2.699 172.848 175.510 0.063 0.000 1.057 682 N CA -1.625 51.444 53.050 0.030 0.000 0.867 682 N CB 1.502 39.984 38.487 -0.009 0.000 1.141 682 N HN 0.225 nan 8.380 nan 0.000 0.517 683 P HA 0.168 nan 4.420 nan 0.000 0.276 683 P C -0.784 176.483 177.300 -0.055 0.000 1.243 683 P CA -0.298 62.761 63.100 -0.069 0.000 0.768 683 P CB 1.036 32.585 31.700 -0.251 0.000 0.856 684 I N 2.323 122.894 120.570 0.002 0.000 2.466 684 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 684 I C -0.817 175.354 176.117 0.091 0.000 1.026 684 I CA -0.855 60.480 61.300 0.058 0.000 1.078 684 I CB 1.831 39.838 38.000 0.011 0.000 1.249 684 I HN 0.252 nan 8.210 nan 0.000 0.429 685 Q N 6.773 126.674 119.800 0.168 0.000 2.333 685 Q HA 0.592 4.932 4.340 -0.000 0.000 0.265 685 Q C -1.615 174.492 176.000 0.178 0.000 0.989 685 Q CA -0.542 55.381 55.803 0.200 0.000 0.842 685 Q CB 1.198 30.135 28.738 0.333 0.000 1.262 685 Q HN 0.733 nan 8.270 nan 0.000 0.451 686 Q N 2.490 122.378 119.800 0.146 0.000 2.416 686 Q HA 0.314 4.654 4.340 -0.000 0.000 0.281 686 Q C -0.928 175.133 176.000 0.102 0.000 1.067 686 Q CA -0.885 54.988 55.803 0.116 0.000 0.809 686 Q CB 1.815 30.613 28.738 0.100 0.000 1.418 686 Q HN 0.855 nan 8.270 nan 0.000 0.411 687 N N 1.496 120.246 118.700 0.083 0.000 2.716 687 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 687 N C -0.981 174.575 175.510 0.075 0.000 1.033 687 N CA 0.816 53.907 53.050 0.068 0.000 0.727 687 N CB -0.754 37.769 38.487 0.059 0.000 0.950 687 N HN 0.878 nan 8.380 nan 0.000 0.541 688 D N -1.322 119.132 120.400 0.089 0.000 2.837 688 D HA -0.200 4.440 4.640 -0.000 0.000 0.230 688 D C -0.859 175.514 176.300 0.123 0.000 1.152 688 D CA 1.690 55.748 54.000 0.097 0.000 0.736 688 D CB -0.812 40.027 40.800 0.065 0.000 1.084 688 D HN 0.505 nan 8.370 nan 0.000 0.429 689 S N -0.936 114.848 115.700 0.140 0.000 2.548 689 S HA 0.719 5.189 4.470 -0.000 0.000 0.286 689 S C -1.378 173.338 174.600 0.192 0.000 1.098 689 S CA -0.949 57.345 58.200 0.157 0.000 0.930 689 S CB 1.388 64.651 63.200 0.104 0.000 1.070 689 S HN 0.268 nan 8.310 nan 0.000 0.480 690 L N 3.314 124.680 121.223 0.239 0.000 2.307 690 L HA 0.755 5.095 4.340 -0.000 0.000 0.284 690 L C -0.566 176.409 176.870 0.176 0.000 1.023 690 L CA 0.285 55.264 54.840 0.231 0.000 0.810 690 L CB 1.781 44.065 42.059 0.374 0.000 1.231 690 L HN 0.639 nan 8.230 nan 0.000 0.423 691 S N 3.012 118.805 115.700 0.155 0.000 2.536 691 S HA 0.776 5.246 4.470 -0.000 0.000 0.298 691 S C -1.095 173.616 174.600 0.184 0.000 1.083 691 S CA -0.596 57.696 58.200 0.153 0.000 0.995 691 S CB 2.027 65.355 63.200 0.213 0.000 1.058 691 S HN 0.394 nan 8.310 nan 0.000 0.488 692 V N 3.247 123.245 119.914 0.140 0.000 2.409 692 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 692 V C -1.387 174.727 176.094 0.034 0.000 1.020 692 V CA -0.610 61.764 62.300 0.123 0.000 0.848 692 V CB 0.554 32.427 31.823 0.084 0.000 0.990 692 V HN 0.848 nan 8.190 nan 0.000 0.430 693 Y N 4.499 124.800 120.300 0.001 0.000 2.387 693 Y HA 0.640 5.190 4.550 -0.000 0.000 0.336 693 Y C 0.120 176.010 175.900 -0.016 0.000 1.067 693 Y CA -0.821 57.274 58.100 -0.008 0.000 1.114 693 Y CB 1.776 40.223 38.460 -0.022 0.000 1.208 693 Y HN 0.426 nan 8.280 nan 0.000 0.458 694 L N 5.400 126.684 121.223 0.102 0.000 2.287 694 L HA 0.552 4.892 4.340 -0.000 0.000 0.287 694 L C -0.812 176.099 176.870 0.068 0.000 1.022 694 L CA -0.467 54.408 54.840 0.060 0.000 0.814 694 L CB 1.107 43.178 42.059 0.020 0.000 1.217 694 L HN 0.526 nan 8.230 nan 0.000 0.420 695 I N 2.353 122.949 120.570 0.043 0.000 2.465 695 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 695 I C -0.215 175.907 176.117 0.008 0.000 1.014 695 I CA -0.249 61.059 61.300 0.013 0.000 1.093 695 I CB 2.158 40.139 38.000 -0.033 0.000 1.267 695 I HN 0.523 nan 8.210 nan 0.000 0.431 696 S N 3.773 119.482 115.700 0.015 0.000 2.571 696 S HA 0.382 4.852 4.470 -0.000 0.000 0.284 696 S C -0.545 174.095 174.600 0.066 0.000 1.128 696 S CA -0.634 57.590 58.200 0.040 0.000 0.970 696 S CB 1.457 64.685 63.200 0.048 0.000 1.039 696 S HN 0.587 nan 8.310 nan 0.000 0.485 697 D N 2.902 123.363 120.400 0.102 0.000 2.424 697 D HA 0.206 4.846 4.640 -0.000 0.000 0.220 697 D C 0.253 176.759 176.300 0.345 0.000 1.150 697 D CA -0.013 54.112 54.000 0.209 0.000 0.831 697 D CB 0.419 41.298 40.800 0.131 0.000 0.981 697 D HN 0.479 nan 8.370 nan 0.000 0.500 698 R N 0.218 120.841 120.500 0.205 0.000 2.641 698 R HA 0.278 4.618 4.340 -0.000 0.000 0.269 698 R C 1.525 177.859 176.300 0.058 0.000 1.074 698 R CA -0.266 55.928 56.100 0.157 0.000 1.133 698 R CB 1.271 31.620 30.300 0.083 0.000 1.029 698 R HN -0.013 nan 8.270 nan 0.000 0.488 699 L N 0.915 122.079 121.223 -0.100 0.000 2.395 699 L HA -0.035 4.305 4.340 -0.000 0.000 0.218 699 L C 0.546 177.337 176.870 -0.131 0.000 1.130 699 L CA 0.557 55.241 54.840 -0.261 0.000 0.826 699 L CB -0.426 41.369 42.059 -0.440 0.000 0.941 699 L HN 0.700 nan 8.230 nan 0.000 0.451 700 D N -1.220 119.142 120.400 -0.062 0.000 2.198 700 D HA 0.167 4.807 4.640 -0.000 0.000 0.247 700 D C -0.266 176.029 176.300 -0.008 0.000 1.010 700 D CA -0.417 53.562 54.000 -0.035 0.000 0.880 700 D CB 1.373 42.159 40.800 -0.023 0.000 1.209 700 D HN -0.282 nan 8.370 nan 0.000 0.451 701 T N 1.465 116.015 114.554 -0.006 0.000 2.913 701 T HA 0.312 4.662 4.350 -0.000 0.000 0.297 701 T C 0.402 175.109 174.700 0.011 0.000 1.029 701 T CA -0.317 61.786 62.100 0.006 0.000 1.104 701 T CB 0.524 69.394 68.868 0.004 0.000 0.964 701 T HN 0.266 nan 8.240 nan 0.000 0.532 702 M N 2.811 122.422 119.600 0.017 0.000 2.268 702 M HA 0.418 4.898 4.480 -0.000 0.000 0.344 702 M C -0.095 176.216 176.300 0.019 0.000 1.106 702 M CA -0.514 54.798 55.300 0.021 0.000 1.010 702 M CB 1.698 34.313 32.600 0.025 0.000 1.649 702 M HN 0.550 nan 8.290 nan 0.000 0.443 703 E N 0.424 120.636 120.200 0.020 0.000 2.244 703 E HA 0.313 4.663 4.350 -0.000 0.000 0.266 703 E C -0.801 175.814 176.600 0.025 0.000 0.914 703 E CA -0.481 55.931 56.400 0.019 0.000 0.794 703 E CB 1.916 31.625 29.700 0.015 0.000 1.210 703 E HN 0.475 nan 8.360 nan 0.000 0.414 704 Q N 0.641 120.456 119.800 0.026 0.000 2.452 704 Q HA -0.184 4.156 4.340 -0.000 0.000 0.318 704 Q C -0.278 175.749 176.000 0.045 0.000 1.386 704 Q CA 0.722 56.546 55.803 0.036 0.000 0.872 704 Q CB -1.768 26.988 28.738 0.030 0.000 1.151 704 Q HN 0.437 nan 8.270 nan 0.000 0.417 705 M N -0.280 119.342 119.600 0.037 0.000 2.444 705 M HA 0.565 5.045 4.480 -0.000 0.000 0.319 705 M C 0.630 176.945 176.300 0.024 0.000 1.183 705 M CA -0.231 55.087 55.300 0.029 0.000 1.032 705 M CB 1.581 34.187 32.600 0.011 0.000 1.569 705 M HN 0.261 nan 8.290 nan 0.000 0.468 706 T N 2.569 117.124 114.554 0.002 0.000 2.824 706 T HA 0.567 4.917 4.350 -0.000 0.000 0.282 706 T C -0.859 173.772 174.700 -0.116 0.000 0.993 706 T CA -0.561 61.492 62.100 -0.078 0.000 0.967 706 T CB 1.559 70.394 68.868 -0.056 0.000 0.960 706 T HN 0.495 nan 8.240 nan 0.000 0.441 707 L N 3.470 124.598 121.223 -0.159 0.000 2.275 707 L HA 0.580 4.920 4.340 -0.000 0.000 0.288 707 L C -0.069 176.676 176.870 -0.207 0.000 1.046 707 L CA -0.155 54.592 54.840 -0.154 0.000 0.805 707 L CB 0.851 42.825 42.059 -0.142 0.000 1.193 707 L HN 0.674 nan 8.230 nan 0.000 0.426 708 E N 5.825 125.929 120.200 -0.160 0.000 2.191 708 E HA 0.529 4.879 4.350 -0.000 0.000 0.263 708 E C -1.516 175.016 176.600 -0.114 0.000 0.881 708 E CA -0.565 55.747 56.400 -0.147 0.000 0.757 708 E CB 1.152 30.791 29.700 -0.101 0.000 1.147 708 E HN 0.723 nan 8.360 nan 0.000 0.414 709 M N 3.909 123.432 119.600 -0.128 0.000 2.535 709 M HA 0.451 4.931 4.480 -0.000 0.000 0.314 709 M C -0.996 175.297 176.300 -0.012 0.000 1.153 709 M CA -0.806 54.451 55.300 -0.072 0.000 0.924 709 M CB 2.324 34.849 32.600 -0.124 0.000 1.710 709 M HN 0.386 nan 8.290 nan 0.000 0.451 710 K N 0.646 121.068 120.400 0.035 0.000 2.523 710 K HA 0.715 5.035 4.320 -0.000 0.000 0.257 710 K C -1.722 174.904 176.600 0.044 0.000 0.932 710 K CA -0.966 55.351 56.287 0.050 0.000 0.812 710 K CB 1.828 34.335 32.500 0.012 0.000 1.326 710 K HN 0.436 nan 8.250 nan 0.000 0.433 711 V N 2.307 122.255 119.914 0.056 0.000 2.546 711 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 711 V C -0.495 175.479 176.094 -0.200 0.000 1.050 711 V CA -0.582 61.693 62.300 -0.042 0.000 0.981 711 V CB 1.282 33.093 31.823 -0.021 0.000 0.990 711 V HN 0.574 nan 8.190 nan 0.000 0.474 712 V N 4.202 123.836 119.914 -0.467 0.000 2.577 712 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 712 V C -0.503 175.267 176.094 -0.539 0.000 1.042 712 V CA -0.955 61.018 62.300 -0.546 0.000 0.872 712 V CB 2.121 33.516 31.823 -0.713 0.000 0.998 712 V HN 1.068 nan 8.190 nan 0.000 0.423 713 D N 3.269 123.526 120.400 -0.239 0.000 2.371 713 D HA 0.116 4.756 4.640 -0.000 0.000 0.242 713 D C 0.718 177.102 176.300 0.140 0.000 1.218 713 D CA -0.464 53.456 54.000 -0.135 0.000 0.945 713 D CB 0.504 41.231 40.800 -0.121 0.000 1.137 713 D HN 0.248 nan 8.370 nan 0.000 0.464 714 F N -0.546 119.448 119.950 0.073 0.000 2.664 714 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 714 F C 1.450 177.311 175.800 0.102 0.000 1.164 714 F CA 0.259 58.358 58.000 0.165 0.000 1.472 714 F CB -0.635 38.464 39.000 0.165 0.000 1.108 714 F HN 0.358 nan 8.300 nan 0.000 0.596 715 D N -1.207 119.325 120.400 0.220 0.000 2.389 715 D HA 0.195 4.835 4.640 -0.000 0.000 0.206 715 D C 2.119 178.480 176.300 0.101 0.000 1.055 715 D CA 1.039 55.117 54.000 0.129 0.000 0.856 715 D CB 0.792 41.642 40.800 0.084 0.000 0.957 715 D HN 0.325 nan 8.370 nan 0.000 0.509 716 G N 1.506 110.366 108.800 0.101 0.000 2.192 716 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.193 716 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.193 716 G C 0.389 175.307 174.900 0.030 0.000 0.999 716 G CA -0.389 44.761 45.100 0.082 0.000 0.659 716 G HN 0.188 nan 8.290 nan 0.000 0.503 717 K N 1.730 122.134 120.400 0.007 0.000 2.258 717 K HA 0.466 4.786 4.320 -0.000 0.000 0.284 717 K C 0.111 176.680 176.600 -0.051 0.000 1.051 717 K CA -0.120 56.159 56.287 -0.013 0.000 0.923 717 K CB 0.374 32.869 32.500 -0.009 0.000 1.046 717 K HN 0.091 nan 8.250 nan 0.000 0.474 718 T N 5.033 119.562 114.554 -0.041 0.000 2.853 718 T HA 0.135 4.485 4.350 -0.000 0.000 0.298 718 T C 0.167 174.840 174.700 -0.045 0.000 0.978 718 T CA -0.159 61.910 62.100 -0.052 0.000 1.152 718 T CB 0.127 68.981 68.868 -0.023 0.000 0.914 718 T HN 0.367 nan 8.240 nan 0.000 0.539 719 L N 3.896 125.084 121.223 -0.059 0.000 2.257 719 L HA 0.590 4.930 4.340 -0.000 0.000 0.290 719 L C 1.181 178.055 176.870 0.005 0.000 1.044 719 L CA -0.481 54.333 54.840 -0.043 0.000 0.810 719 L CB 0.174 42.182 42.059 -0.086 0.000 1.193 719 L HN 0.981 nan 8.230 nan 0.000 0.425 720 G N 1.634 110.444 108.800 0.017 0.000 2.681 720 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.220 720 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.220 720 G C -0.358 174.564 174.900 0.037 0.000 1.353 720 G CA -0.184 44.943 45.100 0.045 0.000 0.872 720 G HN 0.800 nan 8.290 nan 0.000 0.557 721 K N 0.251 120.676 120.400 0.041 0.000 2.087 721 K HA 0.727 5.047 4.320 -0.000 0.000 0.255 721 K C 0.780 177.395 176.600 0.025 0.000 0.988 721 K CA 0.345 56.646 56.287 0.024 0.000 0.915 721 K CB 0.369 nan 32.500 nan 0.000 1.043 721 K HN 0.861 nan 8.250 nan 0.000 0.457 722 K N 0.414 120.820 120.400 0.010 0.000 2.469 722 K HA 0.215 4.535 4.320 -0.000 0.000 0.274 722 K C -0.306 176.276 176.600 -0.030 0.000 0.983 722 K CA 0.231 56.514 56.287 -0.006 0.000 0.974 722 K CB 0.184 32.677 32.500 -0.011 0.000 0.913 722 K HN 0.537 nan 8.250 nan 0.000 0.493 723 I N 2.584 123.112 120.570 -0.071 0.000 2.354 723 I HA 0.137 4.307 4.170 -0.000 0.000 0.292 723 I C -0.038 175.973 176.117 -0.175 0.000 0.989 723 I CA -0.435 60.786 61.300 -0.132 0.000 1.188 723 I CB 1.428 39.290 38.000 -0.231 0.000 1.342 723 I HN 0.354 nan 8.210 nan 0.000 0.457 724 Q N 5.400 125.103 119.800 -0.160 0.000 2.365 724 Q HA 0.689 5.029 4.340 -0.000 0.000 0.269 724 Q C -1.349 174.491 176.000 -0.266 0.000 1.061 724 Q CA -0.941 54.707 55.803 -0.259 0.000 0.816 724 Q CB 3.496 32.086 28.738 -0.246 0.000 1.325 724 Q HN 0.407 nan 8.270 nan 0.000 0.446 725 V N 2.864 122.569 119.914 -0.347 0.000 2.419 725 V HA 0.307 4.427 4.120 -0.000 0.000 0.287 725 V C -0.463 175.481 176.094 -0.251 0.000 1.017 725 V CA -0.791 61.394 62.300 -0.193 0.000 0.844 725 V CB 1.059 32.828 31.823 -0.089 0.000 1.011 725 V HN 0.724 nan 8.190 nan 0.000 0.429 726 H N 1.948 121.012 119.070 -0.010 0.000 2.570 726 H HA 0.482 5.038 4.556 -0.000 0.000 0.342 726 H C 0.775 176.100 175.328 -0.006 0.000 1.245 726 H CA 0.101 56.143 56.048 -0.010 0.000 1.318 726 H CB 1.793 31.550 29.762 -0.009 0.000 1.694 726 H HN 0.694 nan 8.280 nan 0.000 0.592 727 S N -0.021 115.767 115.700 0.146 0.000 3.698 727 S HA -0.159 4.311 4.470 -0.000 0.000 0.338 727 S C 0.092 174.717 174.600 0.041 0.000 1.089 727 S CA 0.066 58.310 58.200 0.073 0.000 0.991 727 S CB -1.769 61.467 63.200 0.060 0.000 0.909 727 S HN 0.347 nan 8.310 nan 0.000 0.485 728 L N 1.088 122.331 121.223 0.033 0.000 2.312 728 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 728 L C 0.613 177.491 176.870 0.013 0.000 1.070 728 L CA -0.144 54.704 54.840 0.013 0.000 0.805 728 L CB 1.149 43.206 42.059 -0.003 0.000 1.174 728 L HN 0.279 nan 8.230 nan 0.000 0.434 729 E N 1.974 122.179 120.200 0.009 0.000 2.179 729 E HA 0.451 4.801 4.350 -0.000 0.000 0.275 729 E C -1.448 175.157 176.600 0.009 0.000 0.945 729 E CA -0.666 55.740 56.400 0.010 0.000 0.792 729 E CB 2.041 31.746 29.700 0.009 0.000 1.125 729 E HN 0.293 nan 8.360 nan 0.000 0.397 730 V N 6.195 126.117 119.914 0.013 0.000 2.276 730 V HA 0.277 4.397 4.120 -0.000 0.000 0.268 730 V C -2.367 173.739 176.094 0.020 0.000 1.032 730 V CA -1.789 60.521 62.300 0.016 0.000 0.810 730 V CB 0.726 32.560 31.823 0.018 0.000 1.060 730 V HN 0.648 nan 8.190 nan 0.000 0.446 731 P HA 0.201 nan 4.420 nan 0.000 0.268 731 P C 0.192 177.508 177.300 0.027 0.000 1.205 731 P CA 0.139 63.251 63.100 0.020 0.000 0.771 731 P CB 0.656 32.369 31.700 0.021 0.000 0.858 732 A N 3.362 126.193 122.820 0.020 0.000 2.587 732 A HA -0.018 4.302 4.320 -0.000 0.000 0.235 732 A C 0.738 178.355 177.584 0.055 0.000 1.044 732 A CA 0.240 52.293 52.037 0.026 0.000 0.754 732 A CB -0.984 18.008 19.000 -0.013 0.000 0.968 732 A HN 0.734 nan 8.150 nan 0.000 0.509 733 N N -0.203 118.556 118.700 0.098 0.000 2.714 733 N HA -0.152 4.588 4.740 -0.000 0.000 0.253 733 N C -0.005 175.560 175.510 0.093 0.000 1.024 733 N CA 1.659 54.792 53.050 0.139 0.000 0.726 733 N CB -1.429 37.169 38.487 0.185 0.000 0.908 733 N HN 1.328 nan 8.380 nan 0.000 0.542 734 T N -4.192 110.399 114.554 0.062 0.000 2.868 734 T HA 0.644 4.994 4.350 -0.000 0.000 0.306 734 T C -0.480 174.244 174.700 0.041 0.000 1.224 734 T CA -0.717 61.415 62.100 0.052 0.000 1.012 734 T CB 2.596 71.494 68.868 0.050 0.000 1.221 734 T HN 0.072 nan 8.240 nan 0.000 0.499 735 S N 0.580 116.316 115.700 0.059 0.000 2.519 735 S HA 0.675 5.145 4.470 -0.000 0.000 0.309 735 S C -1.192 173.506 174.600 0.163 0.000 1.100 735 S CA -0.724 57.536 58.200 0.101 0.000 1.059 735 S CB 0.370 63.614 63.200 0.073 0.000 1.008 735 S HN 0.746 nan 8.310 nan 0.000 0.478 736 K N 2.763 123.253 120.400 0.150 0.000 2.468 736 K HA 0.384 4.704 4.320 -0.000 0.000 0.252 736 K C -1.197 175.291 176.600 -0.187 0.000 0.932 736 K CA -0.704 55.603 56.287 0.034 0.000 0.794 736 K CB 1.787 34.288 32.500 0.001 0.000 1.241 736 K HN 0.706 nan 8.250 nan 0.000 0.428 737 C N 3.402 122.391 119.300 -0.518 0.000 2.585 737 C HA 0.264 4.724 4.460 -0.000 0.000 0.406 737 C C 1.503 176.282 174.990 -0.351 0.000 1.312 737 C CA -0.192 58.312 59.018 -0.857 0.000 1.924 737 C CB -0.855 26.368 27.740 -0.862 0.000 2.578 737 C HN 0.703 nan 8.230 nan 0.000 0.580 738 V N 3.269 123.042 119.914 -0.236 0.000 3.502 738 V HA 0.410 4.530 4.120 -0.000 0.000 0.288 738 V C -0.274 175.834 176.094 0.023 0.000 1.461 738 V CA -0.040 62.210 62.300 -0.083 0.000 1.029 738 V CB -0.810 30.987 31.823 -0.044 0.000 0.843 738 V HN 0.821 nan 8.190 nan 0.000 0.438 739 Y N 0.721 120.923 120.300 -0.164 0.000 2.436 739 Y HA 0.721 5.271 4.550 -0.000 0.000 0.327 739 Y C -0.799 175.036 175.900 -0.108 0.000 1.138 739 Y CA -0.990 57.036 58.100 -0.124 0.000 1.042 739 Y CB 1.635 40.031 38.460 -0.106 0.000 1.302 739 Y HN 0.223 nan 8.280 nan 0.000 0.439 740 R N 4.237 124.382 120.500 -0.593 0.000 2.574 740 R HA 0.924 5.264 4.340 -0.000 0.000 0.288 740 R C -2.036 173.934 176.300 -0.551 0.000 1.004 740 R CA -0.683 55.191 56.100 -0.378 0.000 0.895 740 R CB 1.638 31.810 30.300 -0.213 0.000 1.191 740 R HN 0.797 nan 8.270 nan 0.000 0.444 741 A N 2.317 124.980 122.820 -0.261 0.000 2.459 741 A HA 0.423 4.743 4.320 -0.000 0.000 0.296 741 A C -1.116 176.522 177.584 0.090 0.000 1.039 741 A CA -0.946 50.989 52.037 -0.170 0.000 0.698 741 A CB 1.369 20.196 19.000 -0.288 0.000 1.261 741 A HN 0.562 nan 8.150 nan 0.000 0.405 742 K N 2.049 122.495 120.400 0.078 0.000 2.258 742 K HA 0.422 4.742 4.320 -0.000 0.000 0.264 742 K C 0.842 177.614 176.600 0.286 0.000 1.007 742 K CA -0.368 56.008 56.287 0.148 0.000 0.941 742 K CB 0.321 32.871 32.500 0.083 0.000 0.966 742 K HN 0.621 nan 8.250 nan 0.000 0.480 743 L N -0.500 120.870 121.223 0.244 0.000 2.313 743 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 743 L C 0.853 177.797 176.870 0.123 0.000 1.119 743 L CA 0.502 55.460 54.840 0.197 0.000 0.809 743 L CB -0.282 41.790 42.059 0.022 0.000 0.933 743 L HN 0.771 nan 8.230 nan 0.000 0.449 744 D N 0.347 120.806 120.400 0.098 0.000 2.382 744 D HA 0.291 4.931 4.640 -0.000 0.000 0.259 744 D C 1.074 177.427 176.300 0.087 0.000 1.224 744 D CA 1.235 55.272 54.000 0.062 0.000 0.894 744 D CB 0.641 41.466 40.800 0.041 0.000 1.127 744 D HN 0.297 nan 8.370 nan 0.000 0.487 745 G N 3.222 112.067 108.800 0.074 0.000 2.175 745 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 745 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 745 G C 0.583 175.584 174.900 0.168 0.000 0.982 745 G CA 0.385 45.536 45.100 0.085 0.000 0.641 745 G HN 0.553 nan 8.290 nan 0.000 0.527 746 W N 0.407 121.677 121.300 -0.049 0.000 3.227 746 W HA 0.636 5.296 4.660 -0.000 0.000 0.246 746 W C 0.389 176.847 176.519 -0.103 0.000 1.007 746 W CA 0.537 57.847 57.345 -0.057 0.000 1.925 746 W CB 0.093 29.532 29.460 -0.035 0.000 1.062 746 W HN 0.102 nan 8.180 nan 0.000 0.649 747 L N 2.277 123.356 121.223 -0.240 0.000 2.386 747 L HA 0.342 4.681 4.340 -0.000 0.000 0.271 747 L C 0.474 177.177 176.870 -0.278 0.000 0.993 747 L CA -0.781 53.781 54.840 -0.464 0.000 0.819 747 L CB 1.951 43.453 42.059 -0.929 0.000 1.294 747 L HN -0.133 nan 8.230 nan 0.000 0.414 748 T N -1.277 113.139 114.554 -0.231 0.000 2.904 748 T HA 0.255 4.605 4.350 -0.000 0.000 0.290 748 T C -1.989 172.607 174.700 -0.174 0.000 1.018 748 T CA -1.624 60.382 62.100 -0.157 0.000 1.075 748 T CB 1.337 70.135 68.868 -0.117 0.000 0.986 748 T HN 0.311 nan 8.240 nan 0.000 0.523 749 P HA -0.110 nan 4.420 nan 0.000 0.216 749 P C 1.193 178.432 177.300 -0.100 0.000 1.150 749 P CA 1.087 64.129 63.100 -0.097 0.000 0.843 749 P CB 0.070 31.734 31.700 -0.060 0.000 0.787 750 E N -0.397 119.742 120.200 -0.101 0.000 2.023 750 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 750 E C 1.829 178.339 176.600 -0.150 0.000 1.003 750 E CA 1.359 57.697 56.400 -0.103 0.000 0.809 750 E CB -1.167 28.480 29.700 -0.089 0.000 0.755 750 E HN 0.257 nan 8.360 nan 0.000 0.449 751 D N -0.094 120.190 120.400 -0.193 0.000 2.133 751 D HA -0.167 4.472 4.640 -0.000 0.000 0.195 751 D C 1.845 177.972 176.300 -0.288 0.000 0.997 751 D CA 1.045 54.886 54.000 -0.264 0.000 0.840 751 D CB -0.503 40.100 40.800 -0.327 0.000 0.947 751 D HN 0.233 nan 8.370 nan 0.000 0.452 752 C N 0.509 119.645 119.300 -0.272 0.000 2.419 752 C HA -0.037 4.423 4.460 -0.000 0.000 0.283 752 C C 2.255 177.262 174.990 0.028 0.000 1.373 752 C CA 0.241 59.163 59.018 -0.161 0.000 1.781 752 C CB -0.835 26.826 27.740 -0.132 0.000 1.886 752 C HN 0.330 nan 8.230 nan 0.000 0.520 753 R N 0.065 120.536 120.500 -0.048 0.000 2.317 753 R HA 0.125 4.465 4.340 -0.000 0.000 0.208 753 R C 1.365 177.578 176.300 -0.146 0.000 0.914 753 R CA 0.355 56.453 56.100 -0.002 0.000 1.060 753 R CB 0.030 30.325 30.300 -0.007 0.000 1.015 753 R HN 0.547 nan 8.270 nan 0.000 0.498 754 R N -0.097 120.153 120.500 -0.417 0.000 2.538 754 R HA 0.137 4.477 4.340 -0.000 0.000 0.372 754 R C -0.335 175.214 176.300 -1.252 0.000 0.950 754 R CA 0.035 55.563 56.100 -0.953 0.000 1.168 754 R CB 1.331 31.357 30.300 -0.458 0.000 1.542 754 R HN 0.066 nan 8.270 nan 0.000 0.536 755 S N -0.191 115.105 115.700 -0.674 0.000 2.705 755 S HA 0.762 5.232 4.470 -0.000 0.000 0.280 755 S C -0.852 173.937 174.600 0.316 0.000 1.174 755 S CA -0.934 57.125 58.200 -0.236 0.000 0.823 755 S CB 1.640 64.709 63.200 -0.218 0.000 1.162 755 S HN 0.159 nan 8.310 nan 0.000 0.487 756 F N -1.131 118.922 119.950 0.173 0.000 2.643 756 F HA 0.868 5.395 4.527 -0.000 0.000 0.314 756 F C -1.658 174.088 175.800 -0.091 0.000 1.096 756 F CA -1.462 56.411 58.000 -0.211 0.000 0.953 756 F CB 0.892 39.431 39.000 -0.767 0.000 1.345 756 F HN 0.626 nan 8.300 nan 0.000 0.468 757 L N 2.696 123.904 121.223 -0.025 0.000 2.282 757 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 757 L C -0.695 176.278 176.870 0.171 0.000 1.033 757 L CA -0.374 54.520 54.840 0.092 0.000 0.807 757 L CB 1.230 43.359 42.059 0.117 0.000 1.209 757 L HN 0.659 nan 8.230 nan 0.000 0.423 758 K N 5.265 125.765 120.400 0.166 0.000 2.201 758 K HA 0.596 4.916 4.320 -0.000 0.000 0.278 758 K C -1.410 175.228 176.600 0.064 0.000 1.027 758 K CA -0.510 55.869 56.287 0.154 0.000 0.909 758 K CB 1.126 33.730 32.500 0.173 0.000 1.062 758 K HN 0.419 nan 8.250 nan 0.000 0.465 759 L N 4.988 126.231 121.223 0.033 0.000 2.385 759 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 759 L C -0.330 176.529 176.870 -0.019 0.000 0.990 759 L CA -0.598 54.238 54.840 -0.007 0.000 0.821 759 L CB 1.471 43.523 42.059 -0.012 0.000 1.279 759 L HN 0.555 nan 8.230 nan 0.000 0.412 760 I N 0.378 120.925 120.570 -0.038 0.000 2.828 760 I HA 0.744 4.914 4.170 -0.000 0.000 0.302 760 I C -1.567 174.514 176.117 -0.060 0.000 1.101 760 I CA -1.126 60.147 61.300 -0.045 0.000 1.031 760 I CB 2.447 40.422 38.000 -0.042 0.000 1.231 760 I HN 0.464 nan 8.210 nan 0.000 0.427 761 L N 4.548 125.735 121.223 -0.059 0.000 2.333 761 L HA 0.616 4.956 4.340 -0.000 0.000 0.280 761 L C -0.942 175.889 176.870 -0.065 0.000 1.004 761 L CA -0.019 54.787 54.840 -0.057 0.000 0.820 761 L CB 1.441 43.475 42.059 -0.042 0.000 1.247 761 L HN 0.675 nan 8.230 nan 0.000 0.416 762 K N 2.520 122.890 120.400 -0.049 0.000 2.318 762 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 762 K C -1.131 175.472 176.600 0.005 0.000 0.942 762 K CA -0.920 55.345 56.287 -0.036 0.000 0.808 762 K CB 1.753 34.243 32.500 -0.017 0.000 1.189 762 K HN 0.749 nan 8.250 nan 0.000 0.428 763 D N 0.769 121.190 120.400 0.035 0.000 2.414 763 D HA 0.099 4.739 4.640 -0.000 0.000 0.251 763 D C 1.178 177.516 176.300 0.064 0.000 1.252 763 D CA -0.363 53.673 54.000 0.061 0.000 0.999 763 D CB 0.369 41.228 40.800 0.098 0.000 1.093 763 D HN 0.428 nan 8.370 nan 0.000 0.515 764 K N -0.272 120.163 120.400 0.058 0.000 2.218 764 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 764 K C 1.989 178.619 176.600 0.050 0.000 1.046 764 K CA 2.087 58.404 56.287 0.051 0.000 0.933 764 K CB -1.393 31.129 32.500 0.036 0.000 0.728 764 K HN 0.599 nan 8.250 nan 0.000 0.454 765 S N -2.209 113.526 115.700 0.058 0.000 2.558 765 S HA 0.365 4.835 4.470 -0.000 0.000 0.217 765 S C 1.775 176.417 174.600 0.069 0.000 0.975 765 S CA 0.835 59.068 58.200 0.056 0.000 0.912 765 S CB 0.015 63.245 63.200 0.049 0.000 0.776 765 S HN 1.651 nan 8.310 nan 0.000 0.526 766 G N 0.861 109.707 108.800 0.077 0.000 2.175 766 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 766 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 766 G C -0.061 174.891 174.900 0.087 0.000 0.982 766 G CA 0.194 45.335 45.100 0.069 0.000 0.641 766 G HN 0.897 nan 8.290 nan 0.000 0.527 767 H N 1.165 120.243 119.070 0.014 0.000 2.767 767 H HA 0.521 5.077 4.556 -0.000 0.000 0.316 767 H C 0.635 175.969 175.328 0.011 0.000 1.059 767 H CA 0.504 56.559 56.048 0.012 0.000 1.461 767 H CB 0.659 30.428 29.762 0.011 0.000 1.475 767 H HN 0.474 nan 8.280 nan 0.000 0.531 768 Q N 4.183 123.708 119.800 -0.457 0.000 2.297 768 Q HA 0.138 4.478 4.340 -0.000 0.000 0.267 768 Q C -0.409 175.256 176.000 -0.557 0.000 1.006 768 Q CA -0.328 55.248 55.803 -0.380 0.000 0.896 768 Q CB 0.834 29.449 28.738 -0.205 0.000 1.186 768 Q HN 0.705 nan 8.270 nan 0.000 0.392 769 V N 2.929 122.677 119.914 -0.277 0.000 3.379 769 V HA 0.381 4.501 4.120 -0.000 0.000 0.249 769 V C 0.113 176.157 176.094 -0.082 0.000 1.184 769 V CA 0.966 63.171 62.300 -0.159 0.000 1.106 769 V CB 0.645 32.431 31.823 -0.062 0.000 0.826 769 V HN 0.829 nan 8.190 nan 0.000 0.465 770 A N 0.460 123.234 122.820 -0.077 0.000 2.608 770 A HA 0.759 5.079 4.320 -0.000 0.000 0.292 770 A C -1.211 176.347 177.584 -0.044 0.000 1.066 770 A CA -0.524 51.488 52.037 -0.042 0.000 0.676 770 A CB 1.511 20.498 19.000 -0.022 0.000 1.277 770 A HN 0.307 nan 8.150 nan 0.000 0.413 771 E N 0.165 120.347 120.200 -0.029 0.000 2.408 771 E HA 0.847 5.197 4.350 -0.000 0.000 0.275 771 E C -1.102 175.489 176.600 -0.014 0.000 0.935 771 E CA -0.822 55.563 56.400 -0.024 0.000 0.775 771 E CB 2.126 31.810 29.700 -0.027 0.000 1.277 771 E HN 0.469 nan 8.360 nan 0.000 0.455 772 S N 0.159 115.854 115.700 -0.008 0.000 2.596 772 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 772 S C -1.365 173.233 174.600 -0.003 0.000 1.155 772 S CA -0.715 57.484 58.200 -0.002 0.000 0.827 772 S CB 1.983 65.188 63.200 0.008 0.000 1.130 772 S HN 0.422 nan 8.310 nan 0.000 0.467 773 V N 1.987 121.890 119.914 -0.017 0.000 2.656 773 V HA 0.551 4.671 4.120 -0.000 0.000 0.307 773 V C -1.079 174.980 176.094 -0.059 0.000 1.051 773 V CA -0.593 61.659 62.300 -0.080 0.000 0.893 773 V CB 1.739 33.433 31.823 -0.215 0.000 0.999 773 V HN 0.964 nan 8.190 nan 0.000 0.426 774 H N 3.487 122.392 119.070 -0.274 0.000 2.609 774 H HA 0.664 5.220 4.556 -0.000 0.000 0.344 774 H C -1.556 173.391 175.328 -0.635 0.000 1.040 774 H CA -0.531 55.328 56.048 -0.314 0.000 1.216 774 H CB 1.239 30.845 29.762 -0.260 0.000 1.529 774 H HN 0.433 nan 8.280 nan 0.000 0.519 775 F N 4.506 123.991 119.950 -0.776 0.000 2.399 775 F HA 0.227 4.754 4.527 -0.000 0.000 0.334 775 F C 0.251 175.513 175.800 -0.897 0.000 1.097 775 F CA -0.518 57.114 58.000 -0.613 0.000 1.076 775 F CB 0.819 39.667 39.000 -0.253 0.000 1.162 775 F HN 0.589 nan 8.300 nan 0.000 0.495 776 F N 0.819 120.736 119.950 -0.055 0.000 2.776 776 F HA 0.274 4.801 4.527 0.000 0.000 0.300 776 F C 0.834 176.632 175.800 -0.004 0.000 1.116 776 F CA 0.084 58.061 58.000 -0.038 0.000 1.375 776 F CB -0.055 38.928 39.000 -0.029 0.000 1.109 776 F HN 0.156 nan 8.300 nan 0.000 0.585 777 R N 0.042 120.637 120.500 0.159 0.000 2.836 777 R HA 0.356 4.696 4.340 -0.000 0.000 0.269 777 R C -0.338 175.949 176.300 -0.022 0.000 1.010 777 R CA -1.093 55.051 56.100 0.074 0.000 0.930 777 R CB 1.277 31.632 30.300 0.091 0.000 1.218 777 R HN -0.018 nan 8.270 nan 0.000 0.473 778 K N 0.285 120.635 120.400 -0.083 0.000 2.414 778 K HA 0.030 4.350 4.320 -0.000 0.000 0.272 778 K C 0.931 177.388 176.600 -0.239 0.000 0.993 778 K CA 0.274 56.445 56.287 -0.194 0.000 0.964 778 K CB 0.483 32.863 32.500 -0.200 0.000 0.925 778 K HN 0.425 nan 8.250 nan 0.000 0.487 779 T N 2.243 116.551 114.554 -0.410 0.000 2.720 779 T HA -0.197 4.152 4.350 -0.000 0.000 0.268 779 T C 1.645 176.188 174.700 -0.261 0.000 1.037 779 T CA 1.798 63.667 62.100 -0.384 0.000 1.144 779 T CB -0.110 68.456 68.868 -0.504 0.000 0.864 779 T HN 0.648 nan 8.240 nan 0.000 0.444 780 K N 0.993 121.201 120.400 -0.321 0.000 2.281 780 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 780 K C 1.082 177.587 176.600 -0.159 0.000 1.046 780 K CA 1.697 57.844 56.287 -0.232 0.000 0.938 780 K CB -0.038 32.332 32.500 -0.218 0.000 0.737 780 K HN 0.193 nan 8.250 nan 0.000 0.458 781 D N 0.684 121.016 120.400 -0.114 0.000 2.349 781 D HA 0.139 4.779 4.640 -0.000 0.000 0.214 781 D C 0.303 176.614 176.300 0.019 0.000 1.063 781 D CA 0.085 54.054 54.000 -0.050 0.000 0.847 781 D CB 0.229 41.001 40.800 -0.046 0.000 0.933 781 D HN 0.180 nan 8.370 nan 0.000 0.513 782 L N 1.202 122.456 121.223 0.051 0.000 2.397 782 L HA 0.158 4.498 4.340 -0.000 0.000 0.271 782 L C 0.750 177.759 176.870 0.232 0.000 1.148 782 L CA -0.058 54.902 54.840 0.200 0.000 0.825 782 L CB 0.740 42.936 42.059 0.228 0.000 1.117 782 L HN -0.310 nan 8.230 nan 0.000 0.456 783 Q N 4.207 124.187 119.800 0.300 0.000 2.835 783 Q HA 0.322 4.662 4.340 -0.000 0.000 0.235 783 Q C -0.796 175.451 176.000 0.413 0.000 1.313 783 Q CA -0.197 55.763 55.803 0.261 0.000 1.053 783 Q CB 0.437 29.258 28.738 0.138 0.000 1.443 783 Q HN 0.499 nan 8.270 nan 0.000 0.576 784 L N 4.326 125.753 121.223 0.339 0.000 2.380 784 L HA 0.290 4.630 4.340 -0.000 0.000 0.273 784 L C -1.751 175.240 176.870 0.201 0.000 1.138 784 L CA -1.680 53.307 54.840 0.245 0.000 0.832 784 L CB 0.219 42.373 42.059 0.157 0.000 1.124 784 L HN 0.254 nan 8.230 nan 0.000 0.454 785 P HA 0.212 nan 4.420 nan 0.000 0.279 785 P C -2.548 174.792 177.300 0.067 0.000 1.252 785 P CA -1.879 61.296 63.100 0.125 0.000 0.811 785 P CB 0.300 32.081 31.700 0.136 0.000 1.035 786 P HA 0.027 nan 4.420 nan 0.000 0.226 786 P C 0.341 177.662 177.300 0.034 0.000 1.783 786 P CA 0.146 63.265 63.100 0.032 0.000 0.980 786 P CB -0.676 31.033 31.700 0.015 0.000 1.967 787 T N 0.369 114.938 114.554 0.025 0.000 2.900 787 T HA 0.089 4.439 4.350 -0.000 0.000 0.307 787 T C 0.074 174.769 174.700 -0.008 0.000 1.065 787 T CA 0.179 62.260 62.100 -0.032 0.000 1.105 787 T CB 0.113 68.888 68.868 -0.155 0.000 0.979 787 T HN 0.115 nan 8.240 nan 0.000 0.544 788 S N 3.084 118.775 115.700 -0.015 0.000 2.422 788 S HA 0.513 4.983 4.470 -0.000 0.000 0.308 788 S C -0.738 173.863 174.600 0.001 0.000 1.097 788 S CA -0.826 57.384 58.200 0.017 0.000 1.099 788 S CB 0.210 63.433 63.200 0.038 0.000 0.976 788 S HN 0.580 nan 8.310 nan 0.000 0.471 789 V N 5.992 125.917 119.914 0.019 0.000 2.333 789 V HA 0.493 4.613 4.120 -0.000 0.000 0.274 789 V C 0.362 176.524 176.094 0.113 0.000 1.028 789 V CA -0.592 61.722 62.300 0.023 0.000 0.851 789 V CB 0.884 32.699 31.823 -0.014 0.000 1.000 789 V HN 0.942 nan 8.190 nan 0.000 0.456 790 S N 5.149 120.941 115.700 0.152 0.000 2.621 790 S HA 0.919 5.388 4.470 -0.000 0.000 0.302 790 S C -0.934 173.816 174.600 0.250 0.000 1.093 790 S CA -0.681 57.614 58.200 0.158 0.000 1.017 790 S CB 1.945 65.218 63.200 0.121 0.000 1.077 790 S HN 0.907 nan 8.310 nan 0.000 0.517 791 Y N -2.612 117.714 120.300 0.042 0.000 2.519 791 Y HA 0.740 5.290 4.550 -0.000 0.000 0.336 791 Y C -0.728 175.180 175.900 0.014 0.000 1.089 791 Y CA -1.189 56.931 58.100 0.034 0.000 1.025 791 Y CB 0.437 38.908 38.460 0.018 0.000 1.318 791 Y HN 0.873 nan 8.280 nan 0.000 0.452 792 Q N 3.741 123.585 119.800 0.074 0.000 2.245 792 Q HA 0.756 5.096 4.340 -0.000 0.000 0.256 792 Q C -1.222 174.853 176.000 0.126 0.000 0.942 792 Q CA -0.610 55.196 55.803 0.004 0.000 0.896 792 Q CB 2.216 30.952 28.738 -0.004 0.000 1.272 792 Q HN 0.974 nan 8.270 nan 0.000 0.442 793 M N 1.975 121.627 119.600 0.087 0.000 2.253 793 M HA 0.531 5.010 4.480 -0.000 0.000 0.314 793 M C -0.914 175.414 176.300 0.046 0.000 1.019 793 M CA -0.512 54.861 55.300 0.121 0.000 0.932 793 M CB 1.562 34.271 32.600 0.181 0.000 1.606 793 M HN 0.603 nan 8.290 nan 0.000 0.430 794 K N 4.637 125.057 120.400 0.034 0.000 2.449 794 K HA 0.340 4.660 4.320 -0.000 0.000 0.257 794 K C -1.490 175.112 176.600 0.004 0.000 0.989 794 K CA -0.405 55.889 56.287 0.012 0.000 0.916 794 K CB 1.366 33.870 32.500 0.007 0.000 1.136 794 K HN 0.863 nan 8.250 nan 0.000 0.439 795 Q N 2.822 122.622 119.800 -0.000 0.000 2.293 795 Q HA 0.282 4.622 4.340 -0.000 0.000 0.261 795 Q C -1.308 174.686 176.000 -0.012 0.000 0.960 795 Q CA -0.421 55.377 55.803 -0.008 0.000 0.882 795 Q CB 2.015 30.749 28.738 -0.007 0.000 1.275 795 Q HN 0.601 nan 8.270 nan 0.000 0.445 796 T N 2.098 116.642 114.554 -0.016 0.000 2.906 796 T HA 0.330 4.680 4.350 -0.000 0.000 0.295 796 T C -1.514 173.175 174.700 -0.018 0.000 1.075 796 T CA -0.859 61.232 62.100 -0.015 0.000 1.005 796 T CB 0.922 69.782 68.868 -0.014 0.000 1.136 796 T HN 0.782 nan 8.240 nan 0.000 0.498 797 D N 1.071 121.462 120.400 -0.015 0.000 2.425 797 D HA 0.439 5.079 4.640 -0.000 0.000 0.247 797 D C 1.381 177.669 176.300 -0.019 0.000 1.147 797 D CA 0.546 54.537 54.000 -0.016 0.000 0.879 797 D CB 0.198 40.991 40.800 -0.011 0.000 1.179 797 D HN 0.951 nan 8.370 nan 0.000 0.456 798 G N 1.417 110.202 108.800 -0.024 0.000 2.179 798 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 798 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 798 G C 0.232 175.106 174.900 -0.045 0.000 0.977 798 G CA 0.437 45.518 45.100 -0.031 0.000 0.641 798 G HN 0.785 nan 8.290 nan 0.000 0.533 799 K N -0.964 119.409 120.400 -0.046 0.000 2.557 799 K HA 0.528 4.848 4.320 -0.000 0.000 0.257 799 K C -1.472 175.097 176.600 -0.052 0.000 0.933 799 K CA -0.360 55.894 56.287 -0.055 0.000 0.820 799 K CB 1.817 34.292 32.500 -0.042 0.000 1.330 799 K HN 0.431 nan 8.250 nan 0.000 0.432 800 C N 2.505 121.765 119.300 -0.068 0.000 2.396 800 C HA 0.530 4.990 4.460 -0.000 0.000 0.321 800 C C -0.916 174.047 174.990 -0.045 0.000 1.233 800 C CA -0.156 58.830 59.018 -0.053 0.000 1.440 800 C CB 1.143 28.841 27.740 -0.069 0.000 2.110 800 C HN 0.787 nan 8.230 nan 0.000 0.473 801 E N 4.648 124.838 120.200 -0.017 0.000 2.133 801 E HA 0.620 4.970 4.350 -0.000 0.000 0.274 801 E C -1.008 175.606 176.600 0.023 0.000 0.930 801 E CA -0.366 56.031 56.400 -0.004 0.000 0.770 801 E CB 1.715 31.414 29.700 -0.001 0.000 1.104 801 E HN 0.605 nan 8.360 nan 0.000 0.403 802 L N 2.293 123.533 121.223 0.029 0.000 2.334 802 L HA 0.549 4.889 4.340 -0.000 0.000 0.276 802 L C 0.293 177.209 176.870 0.077 0.000 1.014 802 L CA -0.296 54.588 54.840 0.073 0.000 0.815 802 L CB 2.381 44.456 42.059 0.026 0.000 1.268 802 L HN 0.525 nan 8.230 nan 0.000 0.428 803 T N 3.652 118.276 114.554 0.117 0.000 2.786 803 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 803 T C -0.514 174.288 174.700 0.170 0.000 0.992 803 T CA -0.408 61.756 62.100 0.107 0.000 0.954 803 T CB 0.909 69.824 68.868 0.078 0.000 0.934 803 T HN 0.111 nan 8.240 nan 0.000 0.440 804 L N 3.570 124.887 121.223 0.158 0.000 2.325 804 L HA 0.754 5.094 4.340 -0.000 0.000 0.278 804 L C -0.695 176.314 176.870 0.232 0.000 1.023 804 L CA -0.658 54.297 54.840 0.192 0.000 0.811 804 L CB 1.243 43.389 42.059 0.146 0.000 1.249 804 L HN 0.646 nan 8.230 nan 0.000 0.431 805 F N 1.585 121.571 119.950 0.060 0.000 2.591 805 F HA 0.726 5.253 4.527 -0.000 0.000 0.309 805 F C -0.673 175.139 175.800 0.021 0.000 1.098 805 F CA -0.262 57.757 58.000 0.032 0.000 0.937 805 F CB 2.121 41.136 39.000 0.023 0.000 1.250 805 F HN 0.357 nan 8.300 nan 0.000 0.447 806 S N 2.269 117.383 115.700 -0.976 0.000 2.572 806 S HA 0.331 4.800 4.470 -0.000 0.000 0.274 806 S C 0.271 174.267 174.600 -1.007 0.000 1.150 806 S CA -0.011 57.758 58.200 -0.718 0.000 0.944 806 S CB 1.331 64.314 63.200 -0.363 0.000 1.071 806 S HN 0.926 nan 8.310 nan 0.000 0.479 807 S N 4.375 119.753 115.700 -0.537 0.000 2.474 807 S HA 0.150 4.620 4.470 -0.000 0.000 0.235 807 S C 0.647 175.176 174.600 -0.119 0.000 0.997 807 S CA 0.519 58.596 58.200 -0.205 0.000 0.949 807 S CB -0.474 62.779 63.200 0.088 0.000 0.766 807 S HN 0.678 nan 8.310 nan 0.000 0.517 808 M N 0.631 120.151 119.600 -0.132 0.000 2.662 808 M HA 0.496 4.976 4.480 -0.000 0.000 0.310 808 M C -0.842 175.398 176.300 -0.100 0.000 1.204 808 M CA -1.100 54.172 55.300 -0.047 0.000 0.891 808 M CB 1.745 34.342 32.600 -0.005 0.000 1.732 808 M HN 0.091 nan 8.290 nan 0.000 0.467 809 L N 2.245 123.445 121.223 -0.039 0.000 2.578 809 L HA 0.328 4.668 4.340 -0.000 0.000 0.279 809 L C -0.527 176.193 176.870 -0.250 0.000 1.227 809 L CA 0.648 55.398 54.840 -0.149 0.000 0.900 809 L CB 0.120 42.020 42.059 -0.266 0.000 1.144 809 L HN 0.745 nan 8.230 nan 0.000 0.496 810 A N 5.176 127.821 122.820 -0.292 0.000 2.304 810 A HA 0.570 4.890 4.320 -0.000 0.000 0.314 810 A C -0.549 176.876 177.584 -0.265 0.000 1.187 810 A CA -0.832 50.955 52.037 -0.418 0.000 0.810 810 A CB 0.745 19.376 19.000 -0.615 0.000 1.183 810 A HN 0.663 nan 8.150 nan 0.000 0.487 811 K N 2.419 122.706 120.400 -0.189 0.000 2.276 811 K HA 0.327 4.647 4.320 -0.000 0.000 0.285 811 K C -0.540 176.035 176.600 -0.042 0.000 1.062 811 K CA 0.150 56.341 56.287 -0.160 0.000 0.918 811 K CB 0.161 32.543 32.500 -0.197 0.000 1.055 811 K HN 0.670 nan 8.250 nan 0.000 0.477 812 D N 3.378 123.730 120.400 -0.080 0.000 2.737 812 D HA -0.216 4.424 4.640 -0.000 0.000 0.238 812 D C -0.266 176.022 176.300 -0.020 0.000 1.157 812 D CA 0.574 54.559 54.000 -0.025 0.000 0.694 812 D CB -0.568 40.236 40.800 0.006 0.000 1.021 812 D HN 0.455 nan 8.370 nan 0.000 0.420 813 I N 0.645 121.048 120.570 -0.279 0.000 2.710 813 I HA -0.024 4.146 4.170 -0.000 0.000 0.286 813 I C 0.666 176.429 176.117 -0.590 0.000 1.181 813 I CA 0.492 61.531 61.300 -0.435 0.000 1.430 813 I CB 0.144 37.755 38.000 -0.649 0.000 1.367 813 I HN 0.042 nan 8.210 nan 0.000 0.577 814 F N 8.526 128.038 119.950 -0.730 0.000 2.403 814 F HA 0.481 5.007 4.527 -0.000 0.000 0.355 814 F C -0.245 175.111 175.800 -0.741 0.000 1.119 814 F CA -1.500 55.903 58.000 -0.995 0.000 1.007 814 F CB 0.649 39.127 39.000 -0.870 0.000 1.194 814 F HN 0.193 nan 8.300 nan 0.000 0.443 815 I N 5.584 125.656 120.570 -0.830 0.000 2.308 815 I HA 0.184 4.354 4.170 -0.000 0.000 0.293 815 I C 0.017 175.588 176.117 -0.909 0.000 1.078 815 I CA -0.036 60.845 61.300 -0.699 0.000 1.292 815 I CB 0.555 38.362 38.000 -0.321 0.000 1.423 815 I HN 0.562 nan 8.210 nan 0.000 0.493 816 E N 6.323 125.908 120.200 -1.025 0.000 2.156 816 E HA 0.412 4.761 4.350 -0.000 0.000 0.279 816 E C -0.615 175.771 176.600 -0.356 0.000 0.965 816 E CA -0.552 55.283 56.400 -0.942 0.000 0.789 816 E CB 1.156 30.196 29.700 -1.101 0.000 1.098 816 E HN 0.656 nan 8.360 nan 0.000 0.397 817 T N 1.123 115.602 114.554 -0.125 0.000 2.924 817 T HA 0.474 4.824 4.350 -0.000 0.000 0.291 817 T C -2.276 172.407 174.700 -0.027 0.000 1.045 817 T CA -1.915 60.145 62.100 -0.066 0.000 1.015 817 T CB 1.717 70.555 68.868 -0.049 0.000 1.103 817 T HN 0.225 nan 8.240 nan 0.000 0.496 818 P HA 0.285 nan 4.420 nan 0.000 0.255 818 P C 0.003 177.298 177.300 -0.007 0.000 1.248 818 P CA -0.062 63.029 63.100 -0.015 0.000 0.807 818 P CB 0.067 31.756 31.700 -0.019 0.000 1.150 819 L N 1.009 122.226 121.223 -0.010 0.000 2.385 819 L HA 0.110 4.450 4.340 -0.000 0.000 0.281 819 L C 0.711 177.589 176.870 0.014 0.000 1.106 819 L CA -0.484 54.350 54.840 -0.010 0.000 0.856 819 L CB -0.067 41.973 42.059 -0.031 0.000 1.186 819 L HN -0.016 nan 8.230 nan 0.000 0.453 820 Q N 2.637 122.438 119.800 0.001 0.000 2.304 820 Q HA -0.033 4.307 4.340 -0.000 0.000 0.315 820 Q C 1.293 177.332 176.000 0.065 0.000 1.075 820 Q CA 1.125 56.939 55.803 0.019 0.000 0.988 820 Q CB 0.507 29.216 28.738 -0.048 0.000 1.146 820 Q HN 0.930 nan 8.270 nan 0.000 0.383 821 G N 1.638 110.506 108.800 0.114 0.000 2.166 821 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 821 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 821 G C 0.425 175.357 174.900 0.054 0.000 0.986 821 G CA 0.324 45.487 45.100 0.104 0.000 0.683 821 G HN 0.963 nan 8.290 nan 0.000 0.527 822 A N -0.128 122.713 122.820 0.035 0.000 2.531 822 A HA 0.571 4.891 4.320 -0.000 0.000 0.236 822 A C 0.876 178.417 177.584 -0.070 0.000 1.062 822 A CA 0.451 52.444 52.037 -0.072 0.000 0.760 822 A CB 0.243 19.145 19.000 -0.162 0.000 0.995 822 A HN 0.551 nan 8.150 nan 0.000 0.501 823 R N 0.730 121.126 120.500 -0.173 0.000 2.407 823 R HA 0.489 4.829 4.340 -0.000 0.000 0.303 823 R C -1.606 174.558 176.300 -0.227 0.000 0.981 823 R CA -0.158 55.843 56.100 -0.165 0.000 0.905 823 R CB 1.288 31.490 30.300 -0.163 0.000 1.099 823 R HN 0.761 nan 8.270 nan 0.000 0.459 824 Y N -0.185 120.030 120.300 -0.141 0.000 2.393 824 Y HA 0.059 4.609 4.550 -0.000 0.000 0.341 824 Y C 1.600 177.477 175.900 -0.038 0.000 0.988 824 Y CA -0.567 57.507 58.100 -0.044 0.000 1.078 824 Y CB 2.204 40.687 38.460 0.039 0.000 1.203 824 Y HN 0.715 nan 8.280 nan 0.000 0.453 825 S N -0.087 115.681 115.700 0.114 0.000 2.383 825 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 825 S C 0.137 174.829 174.600 0.153 0.000 1.030 825 S CA 1.625 59.874 58.200 0.082 0.000 1.002 825 S CB 0.010 63.231 63.200 0.035 0.000 0.829 825 S HN 0.750 nan 8.310 nan 0.000 0.467 826 D N -0.742 119.778 120.400 0.200 0.000 2.648 826 D HA 0.613 5.253 4.640 -0.000 0.000 0.244 826 D C -1.674 174.676 176.300 0.083 0.000 1.244 826 D CA -0.485 53.623 54.000 0.180 0.000 0.772 826 D CB 1.774 42.602 40.800 0.048 0.000 1.379 826 D HN 0.093 nan 8.370 nan 0.000 0.428 827 N N 0.343 118.854 118.700 -0.316 0.000 2.961 827 N HA 0.355 5.095 4.740 -0.000 0.000 0.245 827 N C -1.165 174.001 175.510 -0.572 0.000 1.404 827 N CA -0.454 52.196 53.050 -0.666 0.000 0.880 827 N CB 0.835 38.644 38.487 -1.131 0.000 1.461 827 N HN 0.452 nan 8.380 nan 0.000 0.510 828 F N -0.238 119.338 119.950 -0.623 0.000 2.983 828 F HA -0.222 4.305 4.527 -0.000 0.000 0.288 828 F C -0.508 175.136 175.800 -0.261 0.000 0.980 828 F CA 0.584 58.344 58.000 -0.400 0.000 0.965 828 F CB -1.838 36.989 39.000 -0.289 0.000 0.967 828 F HN 0.325 nan 8.300 nan 0.000 0.800 829 F N -2.030 117.880 119.950 -0.067 0.000 2.579 829 F HA 0.761 5.288 4.527 -0.000 0.000 0.324 829 F C 0.053 175.806 175.800 -0.079 0.000 1.058 829 F CA -2.029 55.933 58.000 -0.064 0.000 0.944 829 F CB 0.726 39.675 39.000 -0.085 0.000 1.245 829 F HN -0.183 nan 8.300 nan 0.000 0.477 830 D N 2.106 122.610 120.400 0.174 0.000 2.350 830 D HA 0.229 4.869 4.640 -0.000 0.000 0.249 830 D C -0.768 175.622 176.300 0.150 0.000 1.119 830 D CA 0.062 54.099 54.000 0.061 0.000 0.886 830 D CB 2.088 42.890 40.800 0.004 0.000 1.195 830 D HN 0.485 nan 8.370 nan 0.000 0.437 831 L N 3.637 124.888 121.223 0.046 0.000 2.255 831 L HA 0.257 4.597 4.340 -0.000 0.000 0.289 831 L C -0.619 176.188 176.870 -0.106 0.000 1.046 831 L CA -0.362 54.490 54.840 0.021 0.000 0.816 831 L CB 0.489 42.550 42.059 0.005 0.000 1.197 831 L HN 0.230 nan 8.230 nan 0.000 0.427 832 L N 6.940 128.099 121.223 -0.108 0.000 2.418 832 L HA 0.409 4.749 4.340 -0.000 0.000 0.265 832 L C -1.798 175.035 176.870 -0.062 0.000 1.143 832 L CA -2.001 52.778 54.840 -0.103 0.000 0.809 832 L CB 0.342 42.356 42.059 -0.075 0.000 1.124 832 L HN 0.487 nan 8.230 nan 0.000 0.456 833 P HA -0.031 nan 4.420 nan 0.000 0.260 833 P C 0.764 178.036 177.300 -0.047 0.000 1.185 833 P CA 0.753 63.840 63.100 -0.022 0.000 0.763 833 P CB 0.575 32.339 31.700 0.105 0.000 0.776 834 G N 2.625 111.292 108.800 -0.223 0.000 2.168 834 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.263 834 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.263 834 G C -0.119 174.853 174.900 0.120 0.000 0.977 834 G CA -0.081 45.011 45.100 -0.013 0.000 0.659 834 G HN 0.612 nan 8.290 nan 0.000 0.533 835 E N 0.359 120.556 120.200 -0.005 0.000 2.102 835 E HA 0.392 4.742 4.350 -0.000 0.000 0.263 835 E C 0.502 177.140 176.600 0.063 0.000 0.894 835 E CA -0.796 55.638 56.400 0.058 0.000 0.746 835 E CB 1.256 30.969 29.700 0.022 0.000 1.129 835 E HN 0.365 nan 8.360 nan 0.000 0.416 836 R N 2.400 123.004 120.500 0.174 0.000 2.679 836 R HA 0.076 4.416 4.340 -0.000 0.000 0.268 836 R C -0.381 175.950 176.300 0.051 0.000 1.044 836 R CA 0.265 56.476 56.100 0.185 0.000 1.105 836 R CB 0.496 30.911 30.300 0.192 0.000 0.989 836 R HN 0.161 nan 8.270 nan 0.000 0.447 837 K N 2.667 123.086 120.400 0.032 0.000 2.578 837 K HA 0.206 4.526 4.320 -0.000 0.000 0.250 837 K C -1.510 175.071 176.600 -0.032 0.000 0.955 837 K CA -0.579 55.667 56.287 -0.068 0.000 0.825 837 K CB 1.267 33.669 32.500 -0.164 0.000 1.151 837 K HN 0.358 nan 8.250 nan 0.000 0.432 838 K N 3.672 124.042 120.400 -0.050 0.000 2.201 838 K HA 0.446 4.766 4.320 -0.000 0.000 0.278 838 K C -1.180 175.397 176.600 -0.038 0.000 1.027 838 K CA -0.713 55.562 56.287 -0.019 0.000 0.909 838 K CB 1.220 33.713 32.500 -0.012 0.000 1.062 838 K HN 0.415 nan 8.250 nan 0.000 0.465 839 V N 6.182 126.099 119.914 0.004 0.000 2.540 839 V HA 0.403 4.523 4.120 -0.000 0.000 0.302 839 V C -0.302 175.799 176.094 0.012 0.000 1.035 839 V CA -0.863 61.454 62.300 0.028 0.000 0.873 839 V CB 1.682 33.572 31.823 0.113 0.000 0.992 839 V HN 0.671 nan 8.190 nan 0.000 0.428 840 I N 5.665 126.236 120.570 0.000 0.000 2.392 840 I HA 0.502 4.672 4.170 -0.000 0.000 0.295 840 I C -0.438 175.623 176.117 -0.092 0.000 0.985 840 I CA -0.249 61.029 61.300 -0.037 0.000 1.221 840 I CB 1.524 39.503 38.000 -0.034 0.000 1.366 840 I HN 0.392 nan 8.210 nan 0.000 0.467 841 I N 5.155 125.626 120.570 -0.165 0.000 2.389 841 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 841 I C -0.075 175.905 176.117 -0.229 0.000 0.999 841 I CA -0.450 60.653 61.300 -0.328 0.000 1.129 841 I CB 1.789 39.515 38.000 -0.457 0.000 1.288 841 I HN 0.576 nan 8.210 nan 0.000 0.444 842 T N 1.647 116.070 114.554 -0.218 0.000 2.888 842 T HA 0.740 5.090 4.350 -0.000 0.000 0.284 842 T C -0.385 174.234 174.700 -0.135 0.000 1.017 842 T CA -0.867 61.149 62.100 -0.140 0.000 1.022 842 T CB 2.030 70.841 68.868 -0.096 0.000 1.013 842 T HN 0.562 nan 8.240 nan 0.000 0.465 843 S N 1.918 117.563 115.700 -0.092 0.000 2.583 843 S HA 0.444 4.914 4.470 -0.000 0.000 0.294 843 S C -2.595 171.980 174.600 -0.041 0.000 1.121 843 S CA -0.972 57.189 58.200 -0.066 0.000 0.910 843 S CB 1.519 64.673 63.200 -0.076 0.000 1.102 843 S HN 0.456 nan 8.310 nan 0.000 0.451 844 P HA -0.003 nan 4.420 nan 0.000 0.221 844 P C 0.765 178.058 177.300 -0.012 0.000 1.145 844 P CA 0.825 63.917 63.100 -0.012 0.000 0.795 844 P CB -0.017 31.683 31.700 -0.000 0.000 0.775 845 R N -0.954 119.536 120.500 -0.015 0.000 2.299 845 R HA 0.088 4.428 4.340 -0.000 0.000 0.197 845 R C 0.455 176.741 176.300 -0.023 0.000 0.971 845 R CA 0.132 56.224 56.100 -0.014 0.000 1.030 845 R CB -0.253 30.041 30.300 -0.011 0.000 0.932 845 R HN 0.154 nan 8.270 nan 0.000 0.477 846 I N 2.644 123.194 120.570 -0.034 0.000 2.421 846 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 846 I C 0.448 176.550 176.117 -0.025 0.000 1.089 846 I CA 0.210 61.488 61.300 -0.037 0.000 1.354 846 I CB 0.030 37.999 38.000 -0.052 0.000 1.413 846 I HN 0.047 nan 8.210 nan 0.000 0.513 847 K N 4.771 125.159 120.400 -0.020 0.000 2.463 847 K HA 0.698 5.018 4.320 -0.000 0.000 0.255 847 K C 0.235 176.827 176.600 -0.013 0.000 0.942 847 K CA -0.791 55.487 56.287 -0.014 0.000 0.814 847 K CB 0.885 nan 32.500 nan 0.000 1.122 847 K HN 0.695 nan 8.250 nan 0.000 0.425 848 K N -0.114 120.279 120.400 -0.012 0.000 2.527 848 K HA 0.462 4.782 4.320 -0.000 0.000 0.278 848 K C 1.590 178.185 176.600 -0.009 0.000 0.981 848 K CA 0.937 57.218 56.287 -0.010 0.000 1.009 848 K CB -0.603 31.891 32.500 -0.009 0.000 0.895 848 K HN 2.448 nan 8.250 nan 0.000 0.493 849 G N -0.304 108.491 108.800 -0.008 0.000 2.212 849 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.266 849 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.266 849 G C 0.177 175.073 174.900 -0.007 0.000 0.978 849 G CA 0.631 45.727 45.100 -0.007 0.000 0.632 849 G HN 0.988 nan 8.290 nan 0.000 0.537 850 E N 0.829 121.024 120.200 -0.008 0.000 2.102 850 E HA 0.408 4.758 4.350 -0.000 0.000 0.263 850 E C -0.142 176.452 176.600 -0.010 0.000 0.894 850 E CA -0.540 55.855 56.400 -0.008 0.000 0.746 850 E CB 0.520 30.215 29.700 -0.008 0.000 1.129 850 E HN 0.412 nan 8.360 nan 0.000 0.416 851 E N 4.240 124.436 120.200 -0.007 0.000 2.344 851 E HA 0.055 4.405 4.350 -0.000 0.000 0.270 851 E C -0.671 175.924 176.600 -0.008 0.000 1.021 851 E CA -0.582 55.815 56.400 -0.005 0.000 0.887 851 E CB 0.699 30.399 29.700 0.000 0.000 0.997 851 E HN 0.377 nan 8.360 nan 0.000 0.429 852 L N 7.554 128.770 121.223 -0.011 0.000 2.369 852 L HA 0.268 4.608 4.340 -0.000 0.000 0.279 852 L C -2.353 174.506 176.870 -0.017 0.000 1.108 852 L CA -1.439 53.387 54.840 -0.024 0.000 0.852 852 L CB 0.510 42.543 42.059 -0.044 0.000 1.169 852 L HN 0.419 nan 8.230 nan 0.000 0.452 853 P HA 0.103 nan 4.420 nan 0.000 0.264 853 P C -1.257 176.006 177.300 -0.062 0.000 1.193 853 P CA 0.067 63.150 63.100 -0.029 0.000 0.763 853 P CB 0.690 32.370 31.700 -0.034 0.000 0.810 854 V N 3.840 123.715 119.914 -0.065 0.000 2.577 854 V HA 0.408 4.528 4.120 -0.000 0.000 0.303 854 V C -0.251 175.740 176.094 -0.171 0.000 1.042 854 V CA -0.478 61.726 62.300 -0.159 0.000 0.872 854 V CB 1.881 33.563 31.823 -0.235 0.000 0.998 854 V HN 0.475 nan 8.190 nan 0.000 0.423 855 N N 4.803 123.347 118.700 -0.260 0.000 2.483 855 N HA 0.505 5.245 4.740 -0.000 0.000 0.267 855 N C -1.062 174.213 175.510 -0.392 0.000 0.998 855 N CA -0.386 52.506 53.050 -0.265 0.000 0.918 855 N CB 1.048 39.386 38.487 -0.248 0.000 1.215 855 N HN 0.624 nan 8.380 nan 0.000 0.500 856 I N 3.058 123.433 120.570 -0.324 0.000 2.315 856 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 856 I C 0.276 176.187 176.117 -0.343 0.000 1.006 856 I CA -0.528 60.556 61.300 -0.361 0.000 1.265 856 I CB 0.874 38.720 38.000 -0.257 0.000 1.387 856 I HN 0.246 nan 8.210 nan 0.000 0.475 857 K N 5.702 125.811 120.400 -0.485 0.000 2.203 857 K HA 0.667 4.987 4.320 -0.000 0.000 0.251 857 K C -0.975 175.317 176.600 -0.513 0.000 0.944 857 K CA -0.849 55.063 56.287 -0.624 0.000 0.829 857 K CB 2.036 33.941 32.500 -0.992 0.000 1.125 857 K HN 0.684 nan 8.250 nan 0.000 0.430 858 H N -1.483 117.347 119.070 -0.399 0.000 2.990 858 H HA 0.320 4.876 4.556 -0.000 0.000 0.343 858 H C 0.370 175.729 175.328 0.052 0.000 1.270 858 H CA -0.979 54.990 56.048 -0.130 0.000 1.118 858 H CB 0.458 30.136 29.762 -0.140 0.000 1.861 858 H HN 0.271 nan 8.280 nan 0.000 0.544 859 I N 0.109 120.846 120.570 0.279 0.000 2.179 859 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 859 I C 2.485 178.659 176.117 0.095 0.000 1.088 859 I CA 1.259 62.711 61.300 0.253 0.000 1.357 859 I CB -0.810 37.313 38.000 0.206 0.000 1.051 859 I HN 0.724 nan 8.210 nan 0.000 0.409 860 R N 1.939 122.468 120.500 0.049 0.000 2.133 860 R HA -0.223 4.117 4.340 -0.000 0.000 0.247 860 R C 1.889 177.861 176.300 -0.546 0.000 1.151 860 R CA 1.714 57.654 56.100 -0.266 0.000 0.971 860 R CB -0.580 29.711 30.300 -0.014 0.000 0.866 860 R HN 0.478 nan 8.270 nan 0.000 0.447 861 E N -1.038 118.876 120.200 -0.477 0.000 2.478 861 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 861 E C 0.932 177.362 176.600 -0.283 0.000 1.046 861 E CA 1.284 57.426 56.400 -0.430 0.000 0.870 861 E CB 0.055 29.439 29.700 -0.527 0.000 0.818 861 E HN 0.598 nan 8.360 nan 0.000 0.527 862 T N -1.662 112.771 114.554 -0.201 0.000 3.086 862 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 862 T C 0.053 174.819 174.700 0.110 0.000 1.074 862 T CA -0.382 61.722 62.100 0.006 0.000 0.988 862 T CB -0.328 68.633 68.868 0.155 0.000 0.988 862 T HN 0.221 nan 8.240 nan 0.000 0.530 863 Y N -1.255 119.051 120.300 0.010 0.000 2.597 863 Y HA 0.745 5.295 4.550 -0.000 0.000 0.340 863 Y C -0.832 175.073 175.900 0.009 0.000 1.097 863 Y CA -2.027 56.087 58.100 0.023 0.000 1.037 863 Y CB 1.469 39.951 38.460 0.037 0.000 1.305 863 Y HN -0.085 nan 8.280 nan 0.000 0.463 864 K N 2.332 122.854 120.400 0.203 0.000 2.307 864 K HA 0.331 4.651 4.320 -0.000 0.000 0.263 864 K C -1.084 175.616 176.600 0.166 0.000 0.973 864 K CA -0.450 55.893 56.287 0.093 0.000 0.846 864 K CB 1.093 33.620 32.500 0.044 0.000 1.100 864 K HN 0.874 nan 8.250 nan 0.000 0.438 865 E N 3.207 123.466 120.200 0.099 0.000 2.313 865 E HA 0.173 4.523 4.350 -0.000 0.000 0.272 865 E C -0.349 176.211 176.600 -0.067 0.000 1.038 865 E CA -0.624 55.834 56.400 0.096 0.000 0.863 865 E CB 1.278 31.035 29.700 0.095 0.000 1.060 865 E HN 0.522 nan 8.360 nan 0.000 0.402 866 H N 0.573 119.642 119.070 -0.002 0.000 2.595 866 H HA 0.208 4.764 4.556 -0.000 0.000 0.346 866 H C 0.487 175.792 175.328 -0.038 0.000 1.181 866 H CA -0.727 55.302 56.048 -0.031 0.000 1.242 866 H CB 1.117 30.891 29.762 0.020 0.000 1.652 866 H HN 0.464 nan 8.280 nan 0.000 0.548 867 H N 0.000 119.153 119.070 0.139 0.000 2.539 867 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 867 H CA 0.000 56.101 56.048 0.088 0.000 1.023 867 H CB 0.000 29.806 29.762 0.073 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496