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 1ay4_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQXX XXXLALMGEF RADPRQGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.305 176.300 0.008 0.000 1.140 5 M CA 0.000 55.304 55.300 0.006 0.000 0.988 5 M CB 0.000 32.604 32.600 0.007 0.000 1.302 6 L N 1.938 123.166 121.223 0.008 0.000 2.349 6 L HA 0.018 4.358 4.340 -0.000 0.000 0.220 6 L C 2.216 179.091 176.870 0.007 0.000 1.130 6 L CA 1.605 56.450 54.840 0.008 0.000 0.791 6 L CB -0.691 41.372 42.059 0.007 0.000 0.918 6 L HN 0.710 nan 8.230 nan 0.000 0.444 7 G N -0.553 108.250 108.800 0.006 0.000 2.744 7 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.211 7 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.211 7 G C 1.129 176.032 174.900 0.006 0.000 1.143 7 G CA 0.049 45.152 45.100 0.005 0.000 0.788 7 G HN 0.359 nan 8.290 nan 0.000 0.534 8 N N 0.230 118.934 118.700 0.007 0.000 2.398 8 N HA 0.106 4.846 4.740 -0.000 0.000 0.188 8 N C 0.609 176.125 175.510 0.010 0.000 1.122 8 N CA -0.057 52.998 53.050 0.008 0.000 0.866 8 N CB 0.248 38.740 38.487 0.008 0.000 0.970 8 N HN 0.273 nan 8.380 nan 0.000 0.462 9 L N 1.059 122.289 121.223 0.011 0.000 2.426 9 L HA 0.100 4.440 4.340 -0.000 0.000 0.271 9 L C 0.544 177.421 176.870 0.011 0.000 1.169 9 L CA -0.019 54.829 54.840 0.013 0.000 0.836 9 L CB 0.510 42.577 42.059 0.012 0.000 1.112 9 L HN -0.164 nan 8.230 nan 0.000 0.465 10 K N 3.364 123.772 120.400 0.014 0.000 2.118 10 K HA 0.290 4.610 4.320 -0.000 0.000 0.264 10 K C -2.199 174.405 176.600 0.008 0.000 1.000 10 K CA -1.416 54.878 56.287 0.011 0.000 0.929 10 K CB 0.420 32.929 32.500 0.015 0.000 1.021 10 K HN 0.255 nan 8.250 nan 0.000 0.463 11 P HA 0.020 nan 4.420 nan 0.000 0.252 11 P C -0.925 176.372 177.300 -0.004 0.000 1.694 11 P CA -0.008 63.092 63.100 -0.001 0.000 1.163 11 P CB 0.259 31.958 31.700 -0.001 0.000 1.934 19 A N 0.493 123.319 122.820 0.011 0.000 1.940 19 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 19 A C 1.910 179.525 177.584 0.051 0.000 1.176 19 A CA 2.137 54.189 52.037 0.025 0.000 0.631 19 A CB -0.674 18.339 19.000 0.022 0.000 0.814 19 A HN 0.467 nan 8.150 nan 0.000 0.446 20 L N -0.520 120.738 121.223 0.058 0.000 2.083 20 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 20 L C 2.491 179.418 176.870 0.095 0.000 1.083 20 L CA 1.978 56.882 54.840 0.107 0.000 0.752 20 L CB -0.494 41.628 42.059 0.104 0.000 0.899 20 L HN 0.455 nan 8.230 nan 0.000 0.433 21 M N -1.186 118.440 119.600 0.044 0.000 2.080 21 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 21 M C 2.209 178.559 176.300 0.082 0.000 1.068 21 M CA 1.904 57.229 55.300 0.042 0.000 1.109 21 M CB -1.278 31.329 32.600 0.012 0.000 1.342 21 M HN 0.432 nan 8.290 nan 0.000 0.405 22 G N -0.128 108.703 108.800 0.052 0.000 2.440 22 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 22 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 22 G C 1.350 176.274 174.900 0.040 0.000 1.154 22 G CA 1.133 46.255 45.100 0.037 0.000 0.767 22 G HN 0.579 nan 8.290 nan 0.000 0.552 23 E N -0.609 119.636 120.200 0.075 0.000 2.110 23 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 23 E C 2.032 178.682 176.600 0.083 0.000 0.988 23 E CA 0.775 57.241 56.400 0.109 0.000 0.804 23 E CB -0.254 29.557 29.700 0.184 0.000 0.745 23 E HN 0.417 nan 8.360 nan 0.000 0.458 24 F N 1.365 121.196 119.950 -0.198 0.000 2.146 24 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 24 F C 2.353 177.981 175.800 -0.286 0.000 1.096 24 F CA 1.178 58.839 58.000 -0.566 0.000 1.275 24 F CB -0.095 38.487 39.000 -0.696 0.000 1.008 24 F HN -0.108 nan 8.300 nan 0.000 0.480 25 R N 0.880 121.276 120.500 -0.175 0.000 2.115 25 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 25 R C 2.115 178.305 176.300 -0.183 0.000 1.111 25 R CA 1.187 57.168 56.100 -0.198 0.000 0.976 25 R CB -0.954 29.317 30.300 -0.049 0.000 0.870 25 R HN 0.396 nan 8.270 nan 0.000 0.445 26 A N 0.235 122.988 122.820 -0.113 0.000 2.066 26 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 26 A C 0.342 177.877 177.584 -0.082 0.000 1.157 26 A CA 0.372 52.367 52.037 -0.069 0.000 0.670 26 A CB -0.229 18.762 19.000 -0.016 0.000 0.804 26 A HN 0.223 nan 8.150 nan 0.000 0.453 27 D N 0.269 120.590 120.400 -0.132 0.000 2.358 27 D HA 0.189 4.829 4.640 -0.000 0.000 0.258 27 D C -1.186 175.029 176.300 -0.141 0.000 1.223 27 D CA -1.269 52.672 54.000 -0.098 0.000 0.886 27 D CB 1.167 41.929 40.800 -0.065 0.000 1.120 27 D HN 0.185 nan 8.370 nan 0.000 0.482 28 P HA -0.055 nan 4.420 nan 0.000 0.231 28 P C -0.197 177.062 177.300 -0.067 0.000 1.168 28 P CA 0.142 63.196 63.100 -0.076 0.000 0.779 28 P CB 0.434 32.106 31.700 -0.048 0.000 0.844 29 R N 1.439 121.910 120.500 -0.048 0.000 2.473 29 R HA 0.078 4.418 4.340 -0.000 0.000 0.315 29 R C 0.522 176.802 176.300 -0.032 0.000 0.972 29 R CA 0.279 56.363 56.100 -0.027 0.000 1.047 29 R CB -0.209 30.093 30.300 0.002 0.000 0.932 29 R HN 0.370 nan 8.270 nan 0.000 0.411 30 Q N 0.710 120.496 119.800 -0.023 0.000 2.337 30 Q HA 0.170 4.510 4.340 -0.000 0.000 0.270 30 Q C 0.989 176.995 176.000 0.011 0.000 1.002 30 Q CA 0.827 56.621 55.803 -0.016 0.000 0.888 30 Q CB 1.043 29.775 28.738 -0.010 0.000 1.222 30 Q HN 0.951 nan 8.270 nan 0.000 0.400 31 G N 2.032 110.848 108.800 0.027 0.000 2.168 31 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.197 31 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.197 31 G C -0.216 174.751 174.900 0.112 0.000 0.997 31 G CA -0.605 44.532 45.100 0.062 0.000 0.658 31 G HN 0.461 nan 8.290 nan 0.000 0.513 32 K N 0.377 120.840 120.400 0.104 0.000 2.451 32 K HA 0.410 4.730 4.320 -0.000 0.000 0.280 32 K C 0.215 177.030 176.600 0.359 0.000 1.020 32 K CA 0.405 56.826 56.287 0.223 0.000 1.008 32 K CB 0.588 33.034 32.500 -0.090 0.000 0.917 32 K HN 0.333 nan 8.250 nan 0.000 0.478 33 I N 2.533 123.371 120.570 0.447 0.000 2.389 33 I HA 0.058 4.228 4.170 -0.000 0.000 0.288 33 I C -0.426 175.837 176.117 0.242 0.000 0.999 33 I CA -0.723 60.749 61.300 0.287 0.000 1.129 33 I CB 1.623 39.730 38.000 0.178 0.000 1.288 33 I HN 0.483 nan 8.210 nan 0.000 0.444 34 D N 6.783 127.156 120.400 -0.044 0.000 2.467 34 D HA 0.241 4.881 4.640 -0.000 0.000 0.220 34 D C 0.192 176.396 176.300 -0.160 0.000 1.103 34 D CA -0.236 53.522 54.000 -0.404 0.000 0.886 34 D CB 1.177 41.429 40.800 -0.914 0.000 1.025 34 D HN 0.257 nan 8.370 nan 0.000 0.514 35 L N 2.832 124.028 121.223 -0.045 0.000 2.607 35 L HA 0.353 4.693 4.340 -0.000 0.000 0.228 35 L C 2.155 179.041 176.870 0.027 0.000 1.123 35 L CA 0.354 55.196 54.840 0.002 0.000 0.890 35 L CB 0.239 42.321 42.059 0.039 0.000 1.103 35 L HN 0.548 nan 8.230 nan 0.000 0.468 36 G N -0.692 108.099 108.800 -0.014 0.000 2.920 36 G HA2 0.103 4.063 3.960 -0.000 0.000 0.208 36 G HA3 0.103 4.063 3.960 -0.000 0.000 0.208 36 G C 0.612 175.523 174.900 0.019 0.000 1.159 36 G CA 0.395 45.499 45.100 0.008 0.000 0.784 36 G HN 0.180 nan 8.290 nan 0.000 0.535 37 V N -1.497 118.418 119.914 0.001 0.000 2.901 37 V HA 0.523 4.643 4.120 -0.000 0.000 0.307 37 V C 1.272 177.488 176.094 0.203 0.000 1.084 37 V CA 0.283 62.601 62.300 0.030 0.000 1.184 37 V CB 1.150 32.953 31.823 -0.033 0.000 0.941 37 V HN 0.057 nan 8.190 nan 0.000 0.493 38 G N 2.330 111.252 108.800 0.202 0.000 3.575 38 G HA2 0.484 4.444 3.960 -0.000 0.000 0.273 38 G HA3 0.484 4.444 3.960 -0.000 0.000 0.273 38 G C 0.113 175.246 174.900 0.388 0.000 1.053 38 G CA 0.527 45.877 45.100 0.417 0.000 0.803 38 G HN 1.311 nan 8.290 nan 0.000 0.528 39 V N -3.266 116.751 119.914 0.172 0.000 3.074 39 V HA 0.732 4.852 4.120 -0.000 0.000 0.314 39 V C -0.447 175.700 176.094 0.089 0.000 1.117 39 V CA -2.080 60.277 62.300 0.096 0.000 1.014 39 V CB 1.509 33.178 31.823 -0.257 0.000 1.057 39 V HN 0.134 nan 8.190 nan 0.000 0.438 40 Y N 1.604 121.963 120.300 0.099 0.000 2.397 40 Y HA 0.600 5.150 4.550 -0.000 0.000 0.335 40 Y C 0.122 176.057 175.900 0.057 0.000 1.213 40 Y CA 0.067 58.214 58.100 0.078 0.000 1.391 40 Y CB 0.773 39.360 38.460 0.213 0.000 1.293 40 Y HN 0.807 nan 8.280 nan 0.000 0.557 41 K N 4.395 124.185 120.400 -1.016 0.000 2.498 41 K HA 0.220 4.540 4.320 -0.000 0.000 0.254 41 K C -1.342 174.669 176.600 -0.981 0.000 0.933 41 K CA -0.998 54.840 56.287 -0.748 0.000 0.806 41 K CB 1.626 33.907 32.500 -0.364 0.000 1.301 41 K HN 0.803 nan 8.250 nan 0.000 0.432 42 D N 0.690 120.790 120.400 -0.500 0.000 2.506 42 D HA 0.247 4.887 4.640 -0.000 0.000 0.272 42 D C 1.044 177.273 176.300 -0.117 0.000 1.214 42 D CA -0.438 53.445 54.000 -0.195 0.000 1.067 42 D CB 0.318 41.157 40.800 0.065 0.000 1.117 42 D HN 0.404 nan 8.370 nan 0.000 0.578 43 A N -0.551 122.255 122.820 -0.024 0.000 1.958 43 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 43 A C 1.775 179.330 177.584 -0.050 0.000 1.178 43 A CA 2.630 54.654 52.037 -0.022 0.000 0.642 43 A CB -1.488 17.521 19.000 0.015 0.000 0.816 43 A HN 0.762 nan 8.150 nan 0.000 0.453 44 T N -3.842 110.685 114.554 -0.046 0.000 3.287 44 T HA 0.451 4.801 4.350 -0.000 0.000 0.253 44 T C 1.000 175.459 174.700 -0.402 0.000 0.975 44 T CA 0.712 62.746 62.100 -0.110 0.000 0.912 44 T CB -0.409 68.489 68.868 0.049 0.000 1.071 44 T HN 1.732 nan 8.240 nan 0.000 0.578 45 G N 1.466 110.078 108.800 -0.313 0.000 2.305 45 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.287 45 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.287 45 G C -0.278 174.346 174.900 -0.460 0.000 1.036 45 G CA 0.270 45.151 45.100 -0.365 0.000 0.887 45 G HN 0.832 nan 8.290 nan 0.000 0.505 46 H N -1.263 117.766 119.070 -0.069 0.000 2.747 46 H HA 0.633 5.189 4.556 -0.000 0.000 0.371 46 H C -0.255 175.053 175.328 -0.033 0.000 1.161 46 H CA -0.500 55.526 56.048 -0.036 0.000 1.167 46 H CB 1.802 31.565 29.762 0.000 0.000 1.732 46 H HN 0.089 nan 8.280 nan 0.000 0.544 47 T N 4.838 119.481 114.554 0.149 0.000 3.145 47 T HA 0.196 4.546 4.350 -0.000 0.000 0.362 47 T C -2.043 172.784 174.700 0.212 0.000 1.340 47 T CA -1.256 60.946 62.100 0.169 0.000 1.069 47 T CB 0.116 69.029 68.868 0.075 0.000 1.129 47 T HN 0.442 nan 8.240 nan 0.000 0.585 48 P HA 0.380 nan 4.420 nan 0.000 0.275 48 P C -0.473 176.952 177.300 0.208 0.000 1.266 48 P CA -0.607 62.605 63.100 0.187 0.000 0.793 48 P CB 1.152 32.958 31.700 0.176 0.000 1.074 49 I N 0.768 121.435 120.570 0.161 0.000 2.331 49 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 49 I C 1.073 177.293 176.117 0.172 0.000 0.998 49 I CA -0.778 60.633 61.300 0.183 0.000 1.267 49 I CB 0.727 38.833 38.000 0.177 0.000 1.386 49 I HN 0.189 nan 8.210 nan 0.000 0.476 50 M N 5.527 125.244 119.600 0.196 0.000 2.251 50 M HA 0.090 4.570 4.480 -0.000 0.000 0.343 50 M C 1.424 177.830 176.300 0.177 0.000 1.245 50 M CA 0.352 55.761 55.300 0.182 0.000 1.061 50 M CB 0.381 33.117 32.600 0.227 0.000 1.723 50 M HN 0.564 nan 8.290 nan 0.000 0.449 51 R N 2.127 122.712 120.500 0.141 0.000 2.133 51 R HA -0.238 4.102 4.340 -0.000 0.000 0.245 51 R C 2.142 178.541 176.300 0.166 0.000 1.137 51 R CA 2.032 58.213 56.100 0.135 0.000 0.947 51 R CB -0.801 29.555 30.300 0.094 0.000 0.865 51 R HN 0.893 nan 8.270 nan 0.000 0.437 52 A N 0.722 123.643 122.820 0.168 0.000 1.933 52 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 52 A C 2.435 180.097 177.584 0.131 0.000 1.175 52 A CA 1.544 53.674 52.037 0.156 0.000 0.628 52 A CB -0.524 18.600 19.000 0.207 0.000 0.814 52 A HN 0.148 nan 8.150 nan 0.000 0.444 53 V N -0.367 119.641 119.914 0.158 0.000 2.343 53 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 53 V C 2.516 178.673 176.094 0.106 0.000 1.051 53 V CA 2.150 64.520 62.300 0.118 0.000 1.036 53 V CB -0.951 30.968 31.823 0.159 0.000 0.654 53 V HN 0.792 nan 8.190 nan 0.000 0.451 54 H N 0.363 119.475 119.070 0.071 0.000 2.357 54 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 54 H C 2.248 177.603 175.328 0.046 0.000 1.082 54 H CA 1.727 57.811 56.048 0.061 0.000 1.342 54 H CB 0.174 29.973 29.762 0.062 0.000 1.389 54 H HN 0.403 nan 8.280 nan 0.000 0.511 55 A N 0.977 123.849 122.820 0.087 0.000 1.930 55 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 55 A C 2.655 180.220 177.584 -0.031 0.000 1.175 55 A CA 1.422 53.478 52.037 0.032 0.000 0.627 55 A CB -0.838 18.209 19.000 0.078 0.000 0.815 55 A HN 0.543 nan 8.150 nan 0.000 0.443 56 A N -0.267 122.535 122.820 -0.029 0.000 1.930 56 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 56 A C 1.924 179.450 177.584 -0.097 0.000 1.175 56 A CA 1.559 53.558 52.037 -0.064 0.000 0.627 56 A CB -0.431 18.521 19.000 -0.081 0.000 0.815 56 A HN 0.620 nan 8.150 nan 0.000 0.443 57 E N -0.438 119.694 120.200 -0.113 0.000 2.107 57 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 57 E C 2.272 178.813 176.600 -0.099 0.000 0.982 57 E CA 1.115 57.459 56.400 -0.094 0.000 0.809 57 E CB -0.139 29.522 29.700 -0.064 0.000 0.756 57 E HN 0.733 nan 8.360 nan 0.000 0.459 58 Q N 0.278 119.979 119.800 -0.164 0.000 2.079 58 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 58 Q C 2.176 178.143 176.000 -0.054 0.000 0.974 58 Q CA 1.065 56.796 55.803 -0.120 0.000 0.840 58 Q CB -0.082 28.581 28.738 -0.125 0.000 0.898 58 Q HN 0.148 nan 8.270 nan 0.000 0.430 59 R N 0.164 120.636 120.500 -0.048 0.000 2.075 59 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 59 R C 2.286 178.575 176.300 -0.019 0.000 1.126 59 R CA 1.415 57.499 56.100 -0.026 0.000 0.963 59 R CB -0.191 30.095 30.300 -0.025 0.000 0.858 59 R HN 0.251 nan 8.270 nan 0.000 0.435 60 M N 0.368 119.951 119.600 -0.027 0.000 2.086 60 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 60 M C 2.215 178.530 176.300 0.025 0.000 1.067 60 M CA 1.318 56.616 55.300 -0.003 0.000 1.116 60 M CB -0.305 32.280 32.600 -0.026 0.000 1.348 60 M HN 0.178 nan 8.290 nan 0.000 0.407 61 L N 0.377 121.613 121.223 0.020 0.000 2.261 61 L HA -0.191 4.149 4.340 -0.000 0.000 0.216 61 L C 1.831 178.706 176.870 0.010 0.000 1.114 61 L CA 1.910 56.763 54.840 0.022 0.000 0.777 61 L CB -0.672 41.394 42.059 0.010 0.000 0.910 61 L HN 0.435 nan 8.230 nan 0.000 0.440 62 E N -1.171 119.031 120.200 0.003 0.000 2.340 62 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 62 E C 1.654 178.256 176.600 0.003 0.000 0.996 62 E CA 1.006 57.407 56.400 0.001 0.000 0.869 62 E CB 0.347 30.046 29.700 -0.001 0.000 0.835 62 E HN 0.617 nan 8.360 nan 0.000 0.493 63 T N -2.101 112.458 114.554 0.007 0.000 2.990 63 T HA 0.156 4.506 4.350 -0.000 0.000 0.250 63 T C 0.774 175.481 174.700 0.012 0.000 1.041 63 T CA -0.419 61.686 62.100 0.009 0.000 1.010 63 T CB 0.322 69.196 68.868 0.010 0.000 1.003 63 T HN -0.137 nan 8.240 nan 0.000 0.499 67 T N 0.446 114.943 114.554 -0.096 0.000 2.827 67 T HA 0.546 4.896 4.350 -0.000 0.000 0.328 67 T C -1.708 172.870 174.700 -0.203 0.000 1.598 67 T CA -0.621 61.398 62.100 -0.135 0.000 1.043 67 T CB 1.958 70.746 68.868 -0.134 0.000 1.447 67 T HN 0.112 nan 8.240 nan 0.000 0.491 68 K N 1.949 122.212 120.400 -0.229 0.000 2.676 68 K HA 0.258 4.577 4.320 -0.000 0.000 0.205 68 K C 0.108 176.493 176.600 -0.358 0.000 1.084 68 K CA -0.343 55.762 56.287 -0.303 0.000 1.057 68 K CB 0.692 33.058 32.500 -0.223 0.000 0.791 68 K HN 0.687 nan 8.250 nan 0.000 0.484 69 T N 0.452 114.804 114.554 -0.336 0.000 2.795 69 T HA 0.022 4.372 4.350 -0.000 0.000 0.314 69 T C 0.314 174.763 174.700 -0.420 0.000 1.069 69 T CA -0.087 61.783 62.100 -0.384 0.000 1.071 69 T CB 0.284 69.002 68.868 -0.250 0.000 0.988 69 T HN -0.007 nan 8.240 nan 0.000 0.543 70 Y N 0.715 120.785 120.300 -0.383 0.000 2.811 70 Y HA 0.319 4.869 4.550 -0.000 0.000 0.334 70 Y C 0.958 176.562 175.900 -0.492 0.000 1.247 70 Y CA -0.031 57.665 58.100 -0.673 0.000 1.526 70 Y CB -0.440 37.519 38.460 -0.835 0.000 1.284 70 Y HN 0.875 nan 8.280 nan 0.000 0.586 71 A N 2.701 125.342 122.820 -0.298 0.000 3.888 71 A HA 0.782 5.102 4.320 -0.000 0.000 0.158 71 A C 0.610 178.292 177.584 0.162 0.000 1.485 71 A CA -0.082 51.920 52.037 -0.057 0.000 1.261 71 A CB -0.524 18.461 19.000 -0.024 0.000 1.670 71 A HN 0.802 nan 8.150 nan 0.000 0.661 72 G N -0.972 107.976 108.800 0.248 0.000 2.356 72 G HA2 0.451 4.411 3.960 -0.000 0.000 0.298 72 G HA3 0.451 4.411 3.960 -0.000 0.000 0.298 72 G C 0.417 175.554 174.900 0.395 0.000 1.145 72 G CA -0.221 45.056 45.100 0.296 0.000 0.850 72 G HN 0.663 nan 8.290 nan 0.000 0.487 73 L N 2.384 123.775 121.223 0.281 0.000 2.131 73 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 73 L C 2.342 179.252 176.870 0.067 0.000 1.092 73 L CA 2.056 56.907 54.840 0.018 0.000 0.759 73 L CB -0.004 41.934 42.059 -0.201 0.000 0.903 73 L HN 0.421 nan 8.230 nan 0.000 0.435 74 S N -0.154 115.607 115.700 0.103 0.000 2.577 74 S HA 0.575 5.045 4.470 -0.000 0.000 0.219 74 S C 0.600 175.295 174.600 0.159 0.000 0.962 74 S CA 0.269 58.535 58.200 0.109 0.000 0.921 74 S CB -0.339 62.912 63.200 0.085 0.000 0.789 74 S HN 0.808 nan 8.310 nan 0.000 0.497 75 G N 1.653 110.566 108.800 0.187 0.000 2.612 75 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.686 75 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.686 75 G C -1.382 173.641 174.900 0.205 0.000 1.274 75 G CA -1.099 44.121 45.100 0.200 0.000 0.849 75 G HN 0.095 nan 8.290 nan 0.000 0.595 76 E N 1.409 121.734 120.200 0.207 0.000 2.331 76 E HA 0.285 4.635 4.350 -0.000 0.000 0.272 76 E C -1.104 175.600 176.600 0.174 0.000 1.036 76 E CA -1.392 55.122 56.400 0.190 0.000 0.864 76 E CB 1.400 31.210 29.700 0.184 0.000 1.035 76 E HN 0.292 nan 8.360 nan 0.000 0.408 77 P HA -0.230 nan 4.420 nan 0.000 0.216 77 P C 1.198 178.532 177.300 0.056 0.000 1.150 77 P CA 1.368 64.515 63.100 0.078 0.000 0.843 77 P CB 0.442 32.179 31.700 0.061 0.000 0.787 78 E N -1.122 119.118 120.200 0.066 0.000 2.110 78 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 78 E C 1.916 178.535 176.600 0.032 0.000 0.988 78 E CA 0.690 57.112 56.400 0.037 0.000 0.804 78 E CB -0.465 29.256 29.700 0.035 0.000 0.745 78 E HN 0.113 nan 8.360 nan 0.000 0.458 79 F N 1.555 121.463 119.950 -0.070 0.000 2.128 79 F HA -0.089 4.438 4.527 0.000 0.000 0.295 79 F C 2.169 177.926 175.800 -0.071 0.000 1.100 79 F CA 1.536 59.473 58.000 -0.106 0.000 1.260 79 F CB -0.235 38.689 39.000 -0.126 0.000 1.009 79 F HN -0.010 nan 8.300 nan 0.000 0.476 80 Q N 0.311 120.032 119.800 -0.130 0.000 2.084 80 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 80 Q C 2.297 178.176 176.000 -0.202 0.000 0.978 80 Q CA 2.002 57.688 55.803 -0.194 0.000 0.844 80 Q CB -0.339 28.392 28.738 -0.012 0.000 0.898 80 Q HN 0.434 nan 8.270 nan 0.000 0.426 81 K N 0.469 120.794 120.400 -0.124 0.000 2.025 81 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 81 K C 2.130 178.653 176.600 -0.128 0.000 1.049 81 K CA 1.022 57.251 56.287 -0.096 0.000 0.933 81 K CB -0.147 32.323 32.500 -0.050 0.000 0.714 81 K HN 0.159 nan 8.250 nan 0.000 0.438 82 A N 1.317 124.044 122.820 -0.155 0.000 1.908 82 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 82 A C 2.124 179.590 177.584 -0.198 0.000 1.181 82 A CA 1.631 53.578 52.037 -0.151 0.000 0.627 82 A CB -0.417 18.495 19.000 -0.147 0.000 0.818 82 A HN 0.304 nan 8.150 nan 0.000 0.445 83 M N -0.676 118.707 119.600 -0.361 0.000 2.200 83 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 83 M C 2.318 178.499 176.300 -0.199 0.000 1.066 83 M CA 1.331 56.420 55.300 -0.350 0.000 1.127 83 M CB -1.827 30.381 32.600 -0.653 0.000 1.379 83 M HN 0.480 nan 8.290 nan 0.000 0.420 84 G N 0.032 108.723 108.800 -0.182 0.000 2.418 84 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 84 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 84 G C 1.535 176.392 174.900 -0.072 0.000 1.158 84 G CA 0.662 45.698 45.100 -0.107 0.000 0.771 84 G HN 0.506 nan 8.290 nan 0.000 0.545 85 E N -0.426 119.733 120.200 -0.069 0.000 2.107 85 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 85 E C 2.359 178.947 176.600 -0.021 0.000 0.982 85 E CA 0.397 56.774 56.400 -0.039 0.000 0.809 85 E CB -0.133 29.548 29.700 -0.032 0.000 0.756 85 E HN 0.322 nan 8.360 nan 0.000 0.459 86 L N 1.187 122.398 121.223 -0.019 0.000 2.012 86 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 86 L C 1.948 178.829 176.870 0.019 0.000 1.073 86 L CA 1.700 56.556 54.840 0.026 0.000 0.748 86 L CB -0.196 41.893 42.059 0.050 0.000 0.891 86 L HN 0.104 nan 8.230 nan 0.000 0.431 87 I N -1.357 119.208 120.570 -0.008 0.000 2.235 87 I HA -0.241 3.929 4.170 -0.000 0.000 0.241 87 I C 2.096 178.197 176.117 -0.026 0.000 1.085 87 I CA 1.173 62.466 61.300 -0.012 0.000 1.378 87 I CB -0.211 37.775 38.000 -0.023 0.000 1.076 87 I HN 0.174 nan 8.210 nan 0.000 0.415 88 L N 0.097 121.301 121.223 -0.032 0.000 2.509 88 L HA 0.217 4.557 4.340 -0.000 0.000 0.222 88 L C 1.632 178.484 176.870 -0.030 0.000 1.123 88 L CA 0.377 55.196 54.840 -0.035 0.000 0.856 88 L CB -0.777 41.261 42.059 -0.035 0.000 0.985 88 L HN 0.489 nan 8.230 nan 0.000 0.456 89 G N 1.980 110.766 108.800 -0.023 0.000 2.622 89 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.307 89 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.307 89 G C 0.707 175.595 174.900 -0.019 0.000 1.226 89 G CA 0.552 45.641 45.100 -0.018 0.000 0.997 89 G HN 0.506 nan 8.290 nan 0.000 0.551 90 D N 1.862 122.251 120.400 -0.018 0.000 2.310 90 D HA 0.121 4.761 4.640 -0.000 0.000 0.212 90 D C 1.449 177.738 176.300 -0.018 0.000 0.965 90 D CA 1.259 55.249 54.000 -0.016 0.000 0.879 90 D CB -0.553 40.239 40.800 -0.014 0.000 0.921 90 D HN 0.846 nan 8.370 nan 0.000 0.510 96 K N 2.141 122.532 120.400 -0.015 0.000 2.265 96 K HA 0.261 4.581 4.320 -0.000 0.000 0.242 96 K C 1.201 177.795 176.600 -0.010 0.000 1.137 96 K CA 0.522 56.802 56.287 -0.011 0.000 1.082 96 K CB 0.761 33.256 32.500 -0.009 0.000 1.731 96 K HN 0.771 nan 8.250 nan 0.000 0.392 97 S N 1.294 116.988 115.700 -0.011 0.000 2.440 97 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 97 S C 1.479 176.076 174.600 -0.005 0.000 1.010 97 S CA 1.442 59.636 58.200 -0.010 0.000 0.972 97 S CB -0.211 62.983 63.200 -0.011 0.000 0.774 97 S HN 0.740 nan 8.310 nan 0.000 0.501 98 E N 1.607 121.805 120.200 -0.004 0.000 2.268 98 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 98 E C 1.435 178.034 176.600 -0.001 0.000 0.995 98 E CA 1.362 57.761 56.400 -0.001 0.000 0.836 98 E CB -0.606 29.094 29.700 -0.001 0.000 0.763 98 E HN 0.746 nan 8.360 nan 0.000 0.491 99 T N -2.209 112.344 114.554 -0.002 0.000 3.200 99 T HA 0.196 4.546 4.350 -0.000 0.000 0.284 99 T C 0.033 174.733 174.700 -0.000 0.000 1.009 99 T CA -0.533 61.567 62.100 -0.001 0.000 0.907 99 T CB 0.576 69.444 68.868 -0.001 0.000 1.120 99 T HN -0.072 nan 8.240 nan 0.000 0.534 100 T N 2.523 117.076 114.554 -0.002 0.000 2.792 100 T HA 0.753 5.103 4.350 -0.000 0.000 0.280 100 T C -0.259 174.442 174.700 0.001 0.000 0.990 100 T CA -0.574 61.524 62.100 -0.002 0.000 0.960 100 T CB 1.467 70.329 68.868 -0.010 0.000 0.939 100 T HN 0.485 nan 8.240 nan 0.000 0.439 101 A N 3.083 125.907 122.820 0.007 0.000 2.305 101 A HA 0.767 5.087 4.320 -0.000 0.000 0.322 101 A C 0.137 177.731 177.584 0.016 0.000 1.187 101 A CA -0.626 51.419 52.037 0.014 0.000 0.825 101 A CB 0.594 19.605 19.000 0.018 0.000 1.164 101 A HN 0.717 nan 8.150 nan 0.000 0.498 102 T N 2.993 117.560 114.554 0.022 0.000 2.861 102 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 102 T C -0.989 173.748 174.700 0.062 0.000 1.003 102 T CA -0.388 61.728 62.100 0.027 0.000 0.977 102 T CB 1.156 70.024 68.868 -0.001 0.000 0.996 102 T HN 0.544 nan 8.240 nan 0.000 0.448 103 L N 2.785 124.058 121.223 0.083 0.000 2.404 103 L HA 0.707 5.047 4.340 -0.000 0.000 0.272 103 L C -0.340 176.632 176.870 0.171 0.000 0.980 103 L CA -0.846 54.063 54.840 0.115 0.000 0.836 103 L CB 1.234 43.348 42.059 0.092 0.000 1.238 103 L HN 0.860 nan 8.230 nan 0.000 0.408 104 A N 3.462 126.414 122.820 0.221 0.000 2.450 104 A HA 0.591 4.911 4.320 -0.000 0.000 0.255 104 A C 0.361 178.053 177.584 0.180 0.000 1.096 104 A CA 0.070 52.263 52.037 0.261 0.000 0.778 104 A CB 0.277 19.389 19.000 0.187 0.000 1.031 104 A HN 0.769 nan 8.150 nan 0.000 0.494 105 T N -1.426 113.220 114.554 0.154 0.000 2.858 105 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 105 T C -0.403 174.326 174.700 0.048 0.000 1.052 105 T CA -0.710 61.482 62.100 0.154 0.000 1.009 105 T CB 1.029 69.993 68.868 0.161 0.000 1.241 105 T HN 0.509 nan 8.240 nan 0.000 0.542 106 V N 2.167 122.089 119.914 0.013 0.000 2.276 106 V HA 0.560 4.680 4.120 -0.000 0.000 0.249 106 V C 1.367 177.457 176.094 -0.008 0.000 1.160 106 V CA 0.650 62.899 62.300 -0.085 0.000 1.042 106 V CB -1.032 30.657 31.823 -0.224 0.000 1.224 106 V HN 1.481 nan 8.190 nan 0.000 0.496 107 G N 4.322 113.119 108.800 -0.005 0.000 2.796 107 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.226 107 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.226 107 G C 0.837 175.765 174.900 0.046 0.000 1.381 107 G CA -0.154 44.957 45.100 0.018 0.000 0.867 107 G HN 0.999 nan 8.290 nan 0.000 0.552 108 G N -1.665 107.154 108.800 0.031 0.000 2.403 108 G HA2 0.105 4.065 3.960 -0.000 0.000 0.216 108 G HA3 0.105 4.065 3.960 -0.000 0.000 0.216 108 G C 1.847 176.798 174.900 0.086 0.000 1.154 108 G CA 2.269 47.384 45.100 0.026 0.000 0.784 108 G HN 1.223 nan 8.290 nan 0.000 0.538 109 T N 1.025 115.664 114.554 0.142 0.000 2.746 109 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 109 T C 2.490 177.292 174.700 0.171 0.000 1.039 109 T CA 1.352 63.589 62.100 0.229 0.000 1.142 109 T CB -0.450 68.574 68.868 0.261 0.000 0.866 109 T HN 0.335 nan 8.240 nan 0.000 0.444 110 G N 1.006 109.886 108.800 0.133 0.000 2.422 110 G HA2 0.003 3.963 3.960 -0.000 0.000 0.218 110 G HA3 0.003 3.963 3.960 -0.000 0.000 0.218 110 G C 1.805 176.795 174.900 0.150 0.000 1.140 110 G CA 0.831 46.019 45.100 0.145 0.000 0.775 110 G HN 0.576 nan 8.290 nan 0.000 0.545 111 A N 0.749 123.647 122.820 0.130 0.000 1.877 111 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 111 A C 2.430 180.086 177.584 0.120 0.000 1.186 111 A CA 1.315 53.423 52.037 0.118 0.000 0.620 111 A CB -0.466 18.592 19.000 0.096 0.000 0.822 111 A HN 0.344 nan 8.150 nan 0.000 0.443 112 L N -1.135 120.172 121.223 0.140 0.000 2.046 112 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 112 L C 2.762 179.722 176.870 0.149 0.000 1.077 112 L CA 1.761 56.696 54.840 0.159 0.000 0.747 112 L CB -0.459 41.746 42.059 0.243 0.000 0.896 112 L HN 0.406 nan 8.230 nan 0.000 0.432 113 R N 0.369 120.962 120.500 0.156 0.000 2.080 113 R HA -0.224 4.116 4.340 -0.000 0.000 0.236 113 R C 2.274 178.646 176.300 0.120 0.000 1.137 113 R CA 1.738 57.924 56.100 0.144 0.000 0.943 113 R CB -0.584 29.806 30.300 0.150 0.000 0.846 113 R HN 0.163 nan 8.270 nan 0.000 0.431 114 Q N -0.321 119.549 119.800 0.116 0.000 2.135 114 Q HA 0.004 4.344 4.340 -0.000 0.000 0.204 114 Q C 1.915 177.965 176.000 0.083 0.000 0.981 114 Q CA 2.133 57.992 55.803 0.093 0.000 0.856 114 Q CB -0.447 28.349 28.738 0.097 0.000 0.902 114 Q HN 0.487 nan 8.270 nan 0.000 0.425 115 A N -0.380 122.494 122.820 0.089 0.000 1.877 115 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 115 A C 1.802 179.430 177.584 0.074 0.000 1.186 115 A CA 1.336 53.420 52.037 0.078 0.000 0.620 115 A CB -0.654 18.394 19.000 0.081 0.000 0.822 115 A HN 0.367 nan 8.150 nan 0.000 0.443 116 L N 0.184 121.457 121.223 0.083 0.000 2.046 116 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 116 L C 2.533 179.443 176.870 0.066 0.000 1.077 116 L CA 1.805 56.691 54.840 0.077 0.000 0.747 116 L CB -1.140 40.973 42.059 0.090 0.000 0.896 116 L HN 0.411 nan 8.230 nan 0.000 0.432 117 E N -0.769 119.472 120.200 0.069 0.000 2.051 117 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 117 E C 2.223 178.857 176.600 0.057 0.000 0.991 117 E CA 0.940 57.376 56.400 0.060 0.000 0.799 117 E CB -0.511 29.226 29.700 0.062 0.000 0.748 117 E HN 0.277 nan 8.360 nan 0.000 0.449 118 L N 1.229 122.487 121.223 0.059 0.000 1.989 118 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 118 L C 2.298 179.193 176.870 0.042 0.000 1.071 118 L CA 2.333 57.204 54.840 0.052 0.000 0.749 118 L CB -0.865 41.225 42.059 0.052 0.000 0.890 118 L HN 0.062 nan 8.230 nan 0.000 0.431 119 A N -0.699 122.148 122.820 0.046 0.000 1.933 119 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 119 A C 2.551 180.158 177.584 0.037 0.000 1.175 119 A CA 1.768 53.830 52.037 0.042 0.000 0.628 119 A CB -0.687 18.344 19.000 0.051 0.000 0.814 119 A HN 0.503 nan 8.150 nan 0.000 0.444 120 R N -0.882 119.641 120.500 0.038 0.000 2.115 120 R HA -0.048 4.292 4.340 -0.000 0.000 0.230 120 R C 2.047 178.361 176.300 0.023 0.000 1.111 120 R CA 1.552 57.670 56.100 0.030 0.000 0.976 120 R CB -0.291 30.026 30.300 0.029 0.000 0.870 120 R HN 0.591 nan 8.270 nan 0.000 0.445 121 M N -0.496 119.119 119.600 0.025 0.000 2.175 121 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 121 M C 2.270 178.573 176.300 0.005 0.000 1.063 121 M CA 1.764 57.073 55.300 0.015 0.000 1.119 121 M CB -0.064 32.546 32.600 0.017 0.000 1.377 121 M HN 0.219 nan 8.290 nan 0.000 0.415 122 A N -0.340 122.486 122.820 0.010 0.000 2.072 122 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 122 A C 0.786 178.376 177.584 0.010 0.000 1.156 122 A CA 0.958 52.999 52.037 0.007 0.000 0.701 122 A CB -0.106 18.901 19.000 0.011 0.000 0.816 122 A HN 0.477 nan 8.150 nan 0.000 0.458 123 N N -0.957 117.753 118.700 0.016 0.000 2.685 123 N HA 0.206 4.946 4.740 -0.000 0.000 0.252 123 N C -2.476 173.045 175.510 0.018 0.000 1.261 123 N CA -1.589 51.472 53.050 0.018 0.000 0.768 123 N CB 1.424 39.926 38.487 0.026 0.000 1.304 123 N HN -0.094 nan 8.380 nan 0.000 0.536 124 P HA -0.043 nan 4.420 nan 0.000 0.223 124 P C -0.308 176.998 177.300 0.010 0.000 1.144 124 P CA 1.036 64.141 63.100 0.009 0.000 0.783 124 P CB 0.488 32.190 31.700 0.003 0.000 0.771 125 D N -0.181 120.228 120.400 0.015 0.000 2.388 125 D HA 0.103 4.743 4.640 -0.000 0.000 0.221 125 D C 1.063 177.379 176.300 0.027 0.000 1.133 125 D CA -0.094 53.916 54.000 0.017 0.000 0.831 125 D CB 0.071 40.881 40.800 0.017 0.000 0.962 125 D HN 0.195 nan 8.370 nan 0.000 0.502 134 F N 3.939 123.960 119.950 0.118 0.000 2.408 134 F HA 0.799 5.326 4.527 0.000 0.000 0.344 134 F C 0.357 176.287 175.800 0.216 0.000 1.112 134 F CA -0.525 57.594 58.000 0.198 0.000 1.096 134 F CB 1.971 41.143 39.000 0.286 0.000 1.129 134 F HN 0.433 nan 8.300 nan 0.000 0.486 135 V N -0.277 119.756 119.914 0.199 0.000 3.001 135 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 135 V C -0.298 175.430 176.094 -0.610 0.000 1.099 135 V CA -1.239 61.036 62.300 -0.041 0.000 0.989 135 V CB 1.321 33.134 31.823 -0.016 0.000 1.040 135 V HN 0.717 nan 8.190 nan 0.000 0.434 136 S N 0.598 115.842 115.700 -0.761 0.000 2.592 136 S HA 0.417 4.887 4.470 -0.000 0.000 0.271 136 S C -0.363 174.046 174.600 -0.318 0.000 1.326 136 S CA -0.216 57.412 58.200 -0.954 0.000 1.024 136 S CB 1.016 63.896 63.200 -0.534 0.000 0.921 136 S HN 1.072 nan 8.310 nan 0.000 0.527 137 D N 2.490 122.797 120.400 -0.155 0.000 2.454 137 D HA 0.470 5.110 4.640 -0.000 0.000 0.225 137 D C -1.986 174.394 176.300 0.133 0.000 1.081 137 D CA -1.902 52.105 54.000 0.011 0.000 0.864 137 D CB 1.020 41.846 40.800 0.043 0.000 1.040 137 D HN 0.321 nan 8.370 nan 0.000 0.517 138 P HA 0.392 nan 4.420 nan 0.000 0.321 138 P C -0.532 176.819 177.300 0.084 0.000 1.304 138 P CA -0.449 62.686 63.100 0.058 0.000 0.759 138 P CB 1.650 33.364 31.700 0.022 0.000 1.385 139 T N -2.576 112.032 114.554 0.090 0.000 2.739 139 T HA 0.301 4.651 4.350 -0.000 0.000 0.303 139 T C -2.002 172.824 174.700 0.210 0.000 1.389 139 T CA -0.446 61.766 62.100 0.186 0.000 1.001 139 T CB 0.127 69.180 68.868 0.310 0.000 1.436 139 T HN 0.330 nan 8.240 nan 0.000 0.500 140 W N 5.190 126.517 121.300 0.045 0.000 2.489 140 W HA 0.278 4.938 4.660 0.000 0.000 0.327 140 W C -1.494 174.946 176.519 -0.131 0.000 1.436 140 W CA -1.776 55.474 57.345 -0.158 0.000 1.315 140 W CB 0.511 29.713 29.460 -0.429 0.000 1.373 140 W HN 0.481 nan 8.180 nan 0.000 0.557 141 P HA -0.315 nan 4.420 nan 0.000 0.217 141 P C 0.970 178.032 177.300 -0.396 0.000 1.148 141 P CA 2.124 65.067 63.100 -0.263 0.000 0.834 141 P CB 0.115 31.659 31.700 -0.260 0.000 0.783 142 N N -1.529 116.647 118.700 -0.874 0.000 2.443 142 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 142 N C 1.821 177.108 175.510 -0.372 0.000 1.037 142 N CA 0.466 53.005 53.050 -0.853 0.000 0.896 142 N CB -0.312 37.178 38.487 -1.661 0.000 0.959 142 N HN 0.340 nan 8.380 nan 0.000 0.442 143 H N -1.219 117.765 119.070 -0.144 0.000 2.299 143 H HA -0.079 4.477 4.556 -0.000 0.000 0.302 143 H C 2.001 177.340 175.328 0.017 0.000 1.078 143 H CA 1.506 57.597 56.048 0.071 0.000 1.323 143 H CB 0.188 30.046 29.762 0.161 0.000 1.381 143 H HN 0.048 nan 8.280 nan 0.000 0.498 144 V N 0.738 120.729 119.914 0.128 0.000 2.358 144 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 144 V C 2.584 178.697 176.094 0.032 0.000 1.047 144 V CA 1.748 64.085 62.300 0.061 0.000 1.035 144 V CB -0.583 31.257 31.823 0.029 0.000 0.658 144 V HN 0.578 nan 8.190 nan 0.000 0.452 145 S N 0.656 116.345 115.700 -0.019 0.000 2.370 145 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 145 S C 1.969 176.600 174.600 0.051 0.000 1.033 145 S CA 1.889 60.078 58.200 -0.018 0.000 1.011 145 S CB -0.744 62.396 63.200 -0.100 0.000 0.852 145 S HN 0.545 nan 8.310 nan 0.000 0.457 146 I N 1.137 121.738 120.570 0.051 0.000 2.252 146 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 146 I C 2.833 179.057 176.117 0.178 0.000 1.102 146 I CA 1.575 62.955 61.300 0.135 0.000 1.385 146 I CB -0.419 37.654 38.000 0.121 0.000 1.064 146 I HN 0.302 nan 8.210 nan 0.000 0.414 147 M N 0.338 120.012 119.600 0.122 0.000 2.086 147 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 147 M C 2.101 178.447 176.300 0.077 0.000 1.067 147 M CA 1.810 57.165 55.300 0.092 0.000 1.116 147 M CB -0.527 32.113 32.600 0.068 0.000 1.348 147 M HN 0.226 nan 8.290 nan 0.000 0.407 148 N N 0.304 119.051 118.700 0.079 0.000 2.069 148 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 148 N C 1.541 177.107 175.510 0.092 0.000 1.031 148 N CA 1.370 54.459 53.050 0.065 0.000 0.852 148 N CB -0.675 37.848 38.487 0.059 0.000 1.018 148 N HN 0.277 nan 8.380 nan 0.000 0.423 149 F N 1.329 121.276 119.950 -0.005 0.000 2.161 149 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 149 F C 2.114 177.917 175.800 0.004 0.000 1.089 149 F CA 1.228 59.227 58.000 -0.003 0.000 1.282 149 F CB -0.181 38.817 39.000 -0.004 0.000 1.010 149 F HN -0.015 nan 8.300 nan 0.000 0.485 150 M N -0.743 118.826 119.600 -0.052 0.000 2.506 150 M HA 0.161 4.641 4.480 -0.000 0.000 0.260 150 M C 1.653 177.881 176.300 -0.120 0.000 1.104 150 M CA 1.046 56.262 55.300 -0.140 0.000 1.112 150 M CB -0.296 32.306 32.600 0.002 0.000 1.401 150 M HN 0.349 nan 8.290 nan 0.000 0.473 151 G N 0.886 109.643 108.800 -0.072 0.000 2.141 151 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 151 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 151 G C -0.080 174.803 174.900 -0.029 0.000 0.982 151 G CA -0.389 44.678 45.100 -0.055 0.000 0.662 151 G HN 0.232 nan 8.290 nan 0.000 0.527 155 V N 2.431 122.303 119.914 -0.069 0.000 2.435 155 V HA 0.667 4.787 4.120 -0.000 0.000 0.290 155 V C -0.038 175.959 176.094 -0.161 0.000 1.030 155 V CA -0.274 61.972 62.300 -0.091 0.000 0.881 155 V CB 1.826 33.624 31.823 -0.042 0.000 0.983 155 V HN 0.614 nan 8.190 nan 0.000 0.445 156 Q N 1.768 121.404 119.800 -0.273 0.000 2.413 156 Q HA 0.729 5.069 4.340 -0.000 0.000 0.276 156 Q C -0.486 175.378 176.000 -0.226 0.000 1.099 156 Q CA -0.564 55.009 55.803 -0.383 0.000 0.814 156 Q CB 2.602 30.785 28.738 -0.925 0.000 1.379 156 Q HN 0.959 nan 8.270 nan 0.000 0.436 157 T N -1.089 113.410 114.554 -0.093 0.000 2.942 157 T HA 0.727 5.077 4.350 -0.000 0.000 0.289 157 T C -1.111 173.718 174.700 0.215 0.000 1.044 157 T CA -0.610 61.494 62.100 0.007 0.000 1.023 157 T CB 0.851 69.706 68.868 -0.023 0.000 1.123 157 T HN 0.525 nan 8.240 nan 0.000 0.512 158 Y N -1.379 119.046 120.300 0.209 0.000 2.477 158 Y HA 0.744 5.293 4.550 -0.000 0.000 0.347 158 Y C -0.146 175.856 175.900 0.170 0.000 0.981 158 Y CA -1.693 56.531 58.100 0.207 0.000 1.033 158 Y CB 1.165 39.763 38.460 0.229 0.000 1.245 158 Y HN 0.678 nan 8.280 nan 0.000 0.455 159 R N 1.892 122.580 120.500 0.314 0.000 2.623 159 R HA 0.130 4.470 4.340 -0.000 0.000 0.271 159 R C -0.883 175.623 176.300 0.344 0.000 1.043 159 R CA 0.538 56.773 56.100 0.225 0.000 1.083 159 R CB 0.337 30.712 30.300 0.125 0.000 0.974 159 R HN 0.961 nan 8.270 nan 0.000 0.436 160 Y N 2.000 122.371 120.300 0.117 0.000 3.324 160 Y HA 0.169 4.719 4.550 0.000 0.000 0.187 160 Y C -0.561 175.385 175.900 0.076 0.000 0.920 160 Y CA -0.425 57.739 58.100 0.106 0.000 1.710 160 Y CB 0.276 38.765 38.460 0.048 0.000 1.461 160 Y HN 0.476 nan 8.280 nan 0.000 0.360 161 F N 3.871 123.889 119.950 0.113 0.000 2.472 161 F HA 0.227 4.754 4.527 0.000 0.000 0.364 161 F C 0.037 175.822 175.800 -0.025 0.000 1.090 161 F CA -0.616 57.390 58.000 0.010 0.000 1.188 161 F CB 0.231 39.276 39.000 0.074 0.000 1.105 161 F HN 0.093 nan 8.300 nan 0.000 0.536 162 D N 5.717 125.747 120.400 -0.617 0.000 2.365 162 D HA 0.219 4.859 4.640 -0.000 0.000 0.237 162 D C 0.930 176.737 176.300 -0.821 0.000 1.190 162 D CA 0.310 54.004 54.000 -0.510 0.000 0.867 162 D CB 1.591 42.173 40.800 -0.363 0.000 1.050 162 D HN 0.776 nan 8.370 nan 0.000 0.491 163 A N 4.800 127.333 122.820 -0.479 0.000 1.903 163 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 163 A C 1.888 179.293 177.584 -0.299 0.000 1.191 163 A CA 2.093 53.947 52.037 -0.305 0.000 0.638 163 A CB -0.441 18.532 19.000 -0.045 0.000 0.823 163 A HN 0.785 nan 8.150 nan 0.000 0.451 164 E N -0.740 119.314 120.200 -0.244 0.000 2.046 164 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 164 E C 1.815 178.263 176.600 -0.254 0.000 0.982 164 E CA 1.565 57.845 56.400 -0.201 0.000 0.800 164 E CB -0.870 28.749 29.700 -0.136 0.000 0.756 164 E HN 0.639 nan 8.360 nan 0.000 0.449 165 T N -1.873 112.512 114.554 -0.281 0.000 3.088 165 T HA 0.144 4.494 4.350 -0.000 0.000 0.259 165 T C 0.966 175.457 174.700 -0.349 0.000 1.122 165 T CA 0.266 62.215 62.100 -0.252 0.000 1.095 165 T CB -0.157 68.599 68.868 -0.186 0.000 0.930 165 T HN 0.181 nan 8.240 nan 0.000 0.508 166 R N 0.257 120.426 120.500 -0.553 0.000 3.758 166 R HA -0.121 4.219 4.340 -0.000 0.000 0.299 166 R C 0.633 176.806 176.300 -0.213 0.000 1.182 166 R CA 0.516 56.241 56.100 -0.625 0.000 0.809 166 R CB -1.705 28.075 30.300 -0.866 0.000 1.249 166 R HN 0.744 nan 8.270 nan 0.000 0.497 167 G N -1.506 107.114 108.800 -0.301 0.000 3.217 167 G HA2 0.633 4.593 3.960 -0.000 0.000 0.213 167 G HA3 0.633 4.593 3.960 -0.000 0.000 0.213 167 G C -0.648 174.123 174.900 -0.215 0.000 1.294 167 G CA -0.393 44.653 45.100 -0.089 0.000 0.987 167 G HN 0.044 nan 8.290 nan 0.000 0.584 168 V N 0.613 120.402 119.914 -0.209 0.000 2.567 168 V HA 0.294 4.414 4.120 -0.000 0.000 0.289 168 V C -0.397 175.570 176.094 -0.213 0.000 1.049 168 V CA -0.187 61.907 62.300 -0.344 0.000 0.969 168 V CB 1.684 33.243 31.823 -0.439 0.000 0.995 168 V HN 0.716 nan 8.190 nan 0.000 0.471 169 D N 2.539 122.823 120.400 -0.194 0.000 2.781 169 D HA 0.121 4.761 4.640 -0.000 0.000 0.254 169 D C 0.822 177.102 176.300 -0.033 0.000 1.213 169 D CA -0.388 53.555 54.000 -0.095 0.000 0.994 169 D CB -0.129 40.622 40.800 -0.081 0.000 1.019 169 D HN 0.379 nan 8.370 nan 0.000 0.514 170 F N 1.441 121.292 119.950 -0.165 0.000 2.154 170 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 170 F C 1.864 177.612 175.800 -0.086 0.000 1.087 170 F CA 1.379 59.297 58.000 -0.137 0.000 1.274 170 F CB 0.315 39.232 39.000 -0.138 0.000 1.009 170 F HN 0.231 nan 8.300 nan 0.000 0.485 171 E N -0.047 120.095 120.200 -0.096 0.000 2.077 171 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 171 E C 2.586 179.085 176.600 -0.169 0.000 0.989 171 E CA 1.195 57.504 56.400 -0.153 0.000 0.800 171 E CB -1.231 28.433 29.700 -0.060 0.000 0.746 171 E HN 0.484 nan 8.360 nan 0.000 0.452 172 G N 1.165 109.903 108.800 -0.103 0.000 2.402 172 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 172 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 172 G C 1.661 176.524 174.900 -0.062 0.000 1.162 172 G CA 0.960 46.026 45.100 -0.057 0.000 0.777 172 G HN 0.227 nan 8.290 nan 0.000 0.539 173 M N 0.191 119.731 119.600 -0.099 0.000 2.108 173 M HA -0.034 4.446 4.480 -0.000 0.000 0.261 173 M C 2.504 178.639 176.300 -0.275 0.000 1.066 173 M CA 1.621 56.862 55.300 -0.098 0.000 1.107 173 M CB -0.135 32.414 32.600 -0.086 0.000 1.356 173 M HN 0.084 nan 8.290 nan 0.000 0.406 174 K N 0.158 120.282 120.400 -0.460 0.000 2.057 174 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 174 K C 2.057 178.516 176.600 -0.235 0.000 1.049 174 K CA 1.389 57.418 56.287 -0.430 0.000 0.931 174 K CB -0.330 31.853 32.500 -0.528 0.000 0.714 174 K HN 0.480 nan 8.250 nan 0.000 0.440 175 A N 2.239 124.957 122.820 -0.170 0.000 1.883 175 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 175 A C 1.689 179.245 177.584 -0.047 0.000 1.186 175 A CA 2.013 53.996 52.037 -0.089 0.000 0.624 175 A CB -0.415 18.551 19.000 -0.057 0.000 0.822 175 A HN 0.206 nan 8.150 nan 0.000 0.444 176 D N -0.333 120.059 120.400 -0.013 0.000 2.103 176 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 176 D C 1.752 178.049 176.300 -0.004 0.000 0.978 176 D CA 0.780 54.825 54.000 0.076 0.000 0.829 176 D CB -0.398 40.522 40.800 0.201 0.000 0.981 176 D HN 0.233 nan 8.370 nan 0.000 0.464 177 L N 1.185 122.314 121.223 -0.156 0.000 2.191 177 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 177 L C 2.332 179.027 176.870 -0.293 0.000 1.103 177 L CA 0.796 55.424 54.840 -0.353 0.000 0.769 177 L CB -1.253 40.565 42.059 -0.401 0.000 0.908 177 L HN -0.066 nan 8.230 nan 0.000 0.438 178 A N -0.821 121.891 122.820 -0.179 0.000 2.076 178 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 178 A C 2.278 179.805 177.584 -0.095 0.000 1.160 178 A CA 1.489 53.450 52.037 -0.127 0.000 0.653 178 A CB -0.581 18.364 19.000 -0.092 0.000 0.801 178 A HN 0.372 nan 8.150 nan 0.000 0.455 179 A N -0.777 122.000 122.820 -0.072 0.000 2.251 179 A HA 0.592 4.912 4.320 -0.000 0.000 0.209 179 A C 1.261 178.854 177.584 0.014 0.000 1.187 179 A CA 0.588 52.631 52.037 0.009 0.000 0.823 179 A CB -0.747 18.311 19.000 0.097 0.000 0.846 179 A HN 0.956 nan 8.150 nan 0.000 0.486 180 A N 0.651 123.348 122.820 -0.205 0.000 2.511 180 A HA 0.389 4.709 4.320 -0.000 0.000 0.242 180 A C 0.484 178.041 177.584 -0.046 0.000 1.069 180 A CA 0.136 52.009 52.037 -0.274 0.000 0.763 180 A CB 0.082 18.715 19.000 -0.612 0.000 1.001 180 A HN 0.503 nan 8.150 nan 0.000 0.498 181 K N 0.870 121.311 120.400 0.069 0.000 2.148 181 K HA 0.320 4.640 4.320 -0.000 0.000 0.239 181 K C -0.423 176.199 176.600 0.037 0.000 1.018 181 K CA -0.730 55.590 56.287 0.055 0.000 0.923 181 K CB 0.599 33.149 32.500 0.083 0.000 1.117 181 K HN 0.629 nan 8.250 nan 0.000 0.477 182 K N 0.096 120.513 120.400 0.029 0.000 2.412 182 K HA 0.161 4.481 4.320 -0.000 0.000 0.281 182 K C 0.846 177.468 176.600 0.036 0.000 1.027 182 K CA 0.606 56.906 56.287 0.023 0.000 0.989 182 K CB 0.170 32.681 32.500 0.018 0.000 0.935 182 K HN 0.817 nan 8.250 nan 0.000 0.475 183 G N 1.368 110.189 108.800 0.035 0.000 2.199 183 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 183 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 183 G C -0.228 174.710 174.900 0.064 0.000 0.982 183 G CA 0.114 45.240 45.100 0.043 0.000 0.632 183 G HN 0.621 nan 8.290 nan 0.000 0.529 184 D N -0.007 120.443 120.400 0.084 0.000 2.377 184 D HA 0.570 5.210 4.640 -0.000 0.000 0.245 184 D C 0.698 177.074 176.300 0.127 0.000 1.196 184 D CA 0.035 54.119 54.000 0.140 0.000 0.962 184 D CB 0.853 41.791 40.800 0.229 0.000 1.127 184 D HN 0.379 nan 8.370 nan 0.000 0.471 185 M N 0.768 120.475 119.600 0.180 0.000 2.383 185 M HA 0.437 4.917 4.480 -0.000 0.000 0.325 185 M C -1.806 174.624 176.300 0.217 0.000 1.092 185 M CA -0.747 54.644 55.300 0.153 0.000 0.961 185 M CB 1.624 34.299 32.600 0.125 0.000 1.672 185 M HN -0.020 nan 8.290 nan 0.000 0.438 186 V N 5.671 125.674 119.914 0.149 0.000 2.350 186 V HA 0.353 4.473 4.120 -0.000 0.000 0.285 186 V C -0.758 175.451 176.094 0.192 0.000 1.014 186 V CA -0.833 61.573 62.300 0.176 0.000 0.831 186 V CB 1.323 33.150 31.823 0.007 0.000 1.000 186 V HN 0.741 nan 8.190 nan 0.000 0.433 187 L N 7.289 128.662 121.223 0.250 0.000 2.278 187 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 187 L C -0.742 176.301 176.870 0.289 0.000 1.072 187 L CA 0.320 55.259 54.840 0.164 0.000 0.819 187 L CB 0.535 42.591 42.059 -0.006 0.000 1.176 187 L HN 0.357 nan 8.230 nan 0.000 0.435 188 L N 5.298 126.684 121.223 0.270 0.000 2.362 188 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 188 L C -0.016 177.096 176.870 0.403 0.000 1.002 188 L CA -0.463 54.614 54.840 0.395 0.000 0.818 188 L CB 1.658 43.968 42.059 0.418 0.000 1.298 188 L HN 0.583 nan 8.230 nan 0.000 0.420 189 H N 1.727 120.972 119.070 0.292 0.000 2.620 189 H HA 0.138 4.694 4.556 -0.000 0.000 0.313 189 H C 0.926 176.507 175.328 0.421 0.000 1.075 189 H CA 0.115 56.327 56.048 0.274 0.000 1.397 189 H CB 1.655 31.531 29.762 0.190 0.000 1.446 189 H HN 0.883 nan 8.280 nan 0.000 0.493 190 G N 2.898 111.956 108.800 0.430 0.000 2.442 190 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 190 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 190 G C 0.564 175.733 174.900 0.449 0.000 1.141 190 G CA 1.156 46.485 45.100 0.382 0.000 0.763 190 G HN 0.783 nan 8.290 nan 0.000 0.554 191 C N -5.115 114.433 119.300 0.413 0.000 3.275 191 C HA 0.490 4.950 4.460 -0.000 0.000 0.340 191 C C 0.248 175.442 174.990 0.341 0.000 1.366 191 C CA -1.092 58.151 59.018 0.375 0.000 1.227 191 C CB 0.566 28.473 27.740 0.279 0.000 1.512 191 C HN 0.902 nan 8.230 nan 0.000 0.461 192 C N 2.243 121.701 119.300 0.263 0.000 3.004 192 C HA -0.121 4.339 4.460 -0.000 0.000 0.267 192 C C 0.529 175.612 174.990 0.154 0.000 1.211 192 C CA 1.079 60.182 59.018 0.142 0.000 2.485 192 C CB -3.168 24.579 27.740 0.012 0.000 1.539 192 C HN 1.183 nan 8.230 nan 0.000 0.462 193 H N 2.327 121.454 119.070 0.095 0.000 3.107 193 H HA 0.046 4.602 4.556 0.000 0.000 0.301 193 H C 0.553 175.867 175.328 -0.024 0.000 0.981 193 H CA 1.024 57.061 56.048 -0.019 0.000 1.443 193 H CB 0.473 30.181 29.762 -0.090 0.000 1.479 193 H HN 0.703 nan 8.280 nan 0.000 0.564 194 N N 7.229 125.801 118.700 -0.213 0.000 2.422 194 N HA 0.115 4.855 4.740 -0.000 0.000 0.266 194 N C -1.940 173.435 175.510 -0.225 0.000 1.007 194 N CA -2.159 50.839 53.050 -0.087 0.000 0.941 194 N CB 1.581 40.086 38.487 0.030 0.000 1.115 194 N HN 0.391 nan 8.380 nan 0.000 0.492 195 P HA 0.035 nan 4.420 nan 0.000 0.252 195 P C 1.011 178.276 177.300 -0.059 0.000 1.211 195 P CA 0.520 63.547 63.100 -0.122 0.000 0.824 195 P CB 0.227 31.824 31.700 -0.172 0.000 1.077 196 T N -2.508 112.024 114.554 -0.037 0.000 2.665 196 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 196 T C 1.878 176.427 174.700 -0.252 0.000 1.035 196 T CA 2.262 64.222 62.100 -0.235 0.000 1.151 196 T CB -1.584 67.175 68.868 -0.182 0.000 0.862 196 T HN 0.245 nan 8.240 nan 0.000 0.438 197 G N 1.391 110.133 108.800 -0.096 0.000 2.217 197 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.246 197 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.246 197 G C 0.283 175.053 174.900 -0.217 0.000 0.990 197 G CA 0.095 45.077 45.100 -0.197 0.000 0.627 197 G HN 1.398 nan 8.290 nan 0.000 0.522 198 A N 0.378 123.120 122.820 -0.129 0.000 2.366 198 A HA 0.671 4.991 4.320 -0.000 0.000 0.272 198 A C 0.213 177.917 177.584 0.199 0.000 1.135 198 A CA -0.071 52.048 52.037 0.137 0.000 0.804 198 A CB 0.335 19.470 19.000 0.226 0.000 1.064 198 A HN 0.391 nan 8.150 nan 0.000 0.499 199 N N 1.195 120.001 118.700 0.176 0.000 2.265 199 N HA 0.447 5.187 4.740 -0.000 0.000 0.300 199 N C -1.284 174.263 175.510 0.062 0.000 1.148 199 N CA -0.659 52.506 53.050 0.191 0.000 0.772 199 N CB 1.494 40.124 38.487 0.238 0.000 1.434 199 N HN 0.393 nan 8.380 nan 0.000 0.481 200 L N 1.022 122.251 121.223 0.010 0.000 2.436 200 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 200 L C 1.395 178.242 176.870 -0.039 0.000 1.168 200 L CA 0.144 54.854 54.840 -0.217 0.000 0.815 200 L CB 0.352 42.000 42.059 -0.684 0.000 1.109 200 L HN 0.689 nan 8.230 nan 0.000 0.462 201 T N -0.656 113.839 114.554 -0.098 0.000 2.912 201 T HA 0.286 4.636 4.350 -0.000 0.000 0.280 201 T C 1.203 176.006 174.700 0.172 0.000 0.989 201 T CA -0.841 61.284 62.100 0.042 0.000 0.995 201 T CB 0.716 69.554 68.868 -0.050 0.000 1.077 201 T HN 0.301 nan 8.240 nan 0.000 0.531 202 L N 0.661 122.004 121.223 0.201 0.000 2.191 202 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 202 L C 2.016 178.974 176.870 0.146 0.000 1.103 202 L CA 1.767 56.741 54.840 0.224 0.000 0.769 202 L CB -1.270 40.856 42.059 0.113 0.000 0.908 202 L HN 0.754 nan 8.230 nan 0.000 0.438 203 D N -0.848 119.574 120.400 0.038 0.000 2.123 203 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 203 D C 2.135 178.388 176.300 -0.077 0.000 0.976 203 D CA 0.877 54.868 54.000 -0.015 0.000 0.831 203 D CB 0.072 40.837 40.800 -0.058 0.000 0.974 203 D HN 0.449 nan 8.370 nan 0.000 0.469 204 Q N -0.371 119.277 119.800 -0.254 0.000 2.079 204 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 204 Q C 2.165 178.095 176.000 -0.117 0.000 0.974 204 Q CA 0.999 56.452 55.803 -0.584 0.000 0.840 204 Q CB -0.155 27.947 28.738 -1.060 0.000 0.898 204 Q HN 0.382 nan 8.270 nan 0.000 0.430 205 W N 0.687 121.965 121.300 -0.037 0.000 2.338 205 W HA -0.222 4.438 4.660 -0.000 0.000 0.304 205 W C 2.534 179.087 176.519 0.057 0.000 1.212 205 W CA 1.074 58.447 57.345 0.046 0.000 1.264 205 W CB -0.188 29.295 29.460 0.038 0.000 1.142 205 W HN 0.183 nan 8.180 nan 0.000 0.512 206 A N 0.200 123.187 122.820 0.279 0.000 1.902 206 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 206 A C 1.740 179.420 177.584 0.160 0.000 1.181 206 A CA 1.890 54.035 52.037 0.179 0.000 0.623 206 A CB -0.794 18.276 19.000 0.116 0.000 0.818 206 A HN 0.390 nan 8.150 nan 0.000 0.443 207 E N -0.483 119.823 120.200 0.177 0.000 2.106 207 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 207 E C 1.840 178.544 176.600 0.174 0.000 0.984 207 E CA 0.864 57.382 56.400 0.195 0.000 0.806 207 E CB -0.193 29.706 29.700 0.331 0.000 0.750 207 E HN 0.511 nan 8.360 nan 0.000 0.458 208 I N 1.224 121.923 120.570 0.216 0.000 2.179 208 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 208 I C 2.519 178.702 176.117 0.111 0.000 1.088 208 I CA 1.106 62.486 61.300 0.133 0.000 1.357 208 I CB -1.416 36.664 38.000 0.133 0.000 1.051 208 I HN 0.006 nan 8.210 nan 0.000 0.409 209 A N 0.406 123.323 122.820 0.162 0.000 1.940 209 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 209 A C 2.555 180.180 177.584 0.068 0.000 1.176 209 A CA 2.205 54.314 52.037 0.121 0.000 0.631 209 A CB -0.712 18.364 19.000 0.127 0.000 0.814 209 A HN 0.472 nan 8.150 nan 0.000 0.446 210 S N -0.004 115.734 115.700 0.063 0.000 2.356 210 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 210 S C 1.814 176.419 174.600 0.009 0.000 1.032 210 S CA 1.462 59.683 58.200 0.035 0.000 1.005 210 S CB -0.521 62.702 63.200 0.038 0.000 0.867 210 S HN 0.565 nan 8.310 nan 0.000 0.449 211 I N 1.585 122.151 120.570 -0.006 0.000 2.127 211 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 211 I C 2.130 178.216 176.117 -0.050 0.000 1.075 211 I CA 0.900 62.171 61.300 -0.048 0.000 1.334 211 I CB -0.422 37.522 38.000 -0.093 0.000 1.040 211 I HN 0.230 nan 8.210 nan 0.000 0.405 212 L N 0.320 121.523 121.223 -0.034 0.000 2.012 212 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 212 L C 2.630 179.492 176.870 -0.014 0.000 1.073 212 L CA 1.856 56.678 54.840 -0.029 0.000 0.748 212 L CB -1.480 40.582 42.059 0.005 0.000 0.891 212 L HN 0.340 nan 8.230 nan 0.000 0.431 213 E N 0.357 120.558 120.200 0.002 0.000 2.085 213 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 213 E C 2.163 178.761 176.600 -0.004 0.000 0.994 213 E CA 1.153 57.556 56.400 0.005 0.000 0.801 213 E CB 0.119 29.827 29.700 0.013 0.000 0.743 213 E HN 0.465 nan 8.360 nan 0.000 0.453 214 K N -0.422 119.971 120.400 -0.011 0.000 2.097 214 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 214 K C 2.159 178.747 176.600 -0.020 0.000 1.050 214 K CA 1.668 57.946 56.287 -0.015 0.000 0.938 214 K CB -0.071 32.417 32.500 -0.020 0.000 0.718 214 K HN 0.184 nan 8.250 nan 0.000 0.442 215 T N -3.223 111.312 114.554 -0.032 0.000 3.054 215 T HA 0.133 4.483 4.350 -0.000 0.000 0.259 215 T C 1.442 176.129 174.700 -0.022 0.000 1.092 215 T CA 0.429 62.507 62.100 -0.037 0.000 1.121 215 T CB 0.254 69.079 68.868 -0.072 0.000 0.912 215 T HN 0.291 nan 8.240 nan 0.000 0.489 216 G N 1.580 110.370 108.800 -0.016 0.000 2.176 216 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.252 216 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.252 216 G C 0.160 175.059 174.900 -0.001 0.000 1.024 216 G CA -0.086 45.012 45.100 -0.003 0.000 0.755 216 G HN 1.184 nan 8.290 nan 0.000 0.507 217 A N -0.337 122.473 122.820 -0.016 0.000 2.328 217 A HA 0.735 5.055 4.320 -0.000 0.000 0.284 217 A C 0.384 177.973 177.584 0.009 0.000 1.160 217 A CA -0.278 51.752 52.037 -0.012 0.000 0.818 217 A CB 0.909 19.867 19.000 -0.069 0.000 1.087 217 A HN 1.555 nan 8.150 nan 0.000 0.504 218 L N 4.979 126.221 121.223 0.031 0.000 2.360 218 L HA 0.470 4.810 4.340 -0.000 0.000 0.276 218 L C -2.399 174.504 176.870 0.055 0.000 1.121 218 L CA -1.369 53.496 54.840 0.042 0.000 0.845 218 L CB 0.666 42.754 42.059 0.047 0.000 1.143 218 L HN 0.340 nan 8.230 nan 0.000 0.452 219 P HA 0.304 nan 4.420 nan 0.000 0.290 219 P C -1.529 175.824 177.300 0.088 0.000 1.276 219 P CA -0.465 62.686 63.100 0.084 0.000 0.808 219 P CB 1.390 33.149 31.700 0.098 0.000 0.966 220 L N 5.162 126.446 121.223 0.101 0.000 2.316 220 L HA 0.440 4.779 4.340 -0.000 0.000 0.280 220 L C -1.149 175.784 176.870 0.104 0.000 1.006 220 L CA -0.420 54.472 54.840 0.086 0.000 0.836 220 L CB 0.251 42.352 42.059 0.070 0.000 1.221 220 L HN 0.213 nan 8.230 nan 0.000 0.418 221 I N 3.946 124.576 120.570 0.100 0.000 2.331 221 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 221 I C -0.173 175.992 176.117 0.079 0.000 0.998 221 I CA -0.307 61.067 61.300 0.124 0.000 1.267 221 I CB 1.335 39.398 38.000 0.104 0.000 1.386 221 I HN 0.562 nan 8.210 nan 0.000 0.476 222 D N 7.179 127.617 120.400 0.063 0.000 2.396 222 D HA 0.247 4.887 4.640 -0.000 0.000 0.225 222 D C -0.958 175.359 176.300 0.028 0.000 1.121 222 D CA -0.400 53.601 54.000 0.002 0.000 0.853 222 D CB 0.862 41.604 40.800 -0.096 0.000 1.043 222 D HN 0.232 nan 8.370 nan 0.000 0.500 223 L N 4.094 125.334 121.223 0.028 0.000 2.335 223 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 223 L C 0.504 177.374 176.870 0.001 0.000 1.037 223 L CA -0.215 54.658 54.840 0.056 0.000 0.895 223 L CB 0.938 43.032 42.059 0.058 0.000 1.266 223 L HN 0.446 nan 8.230 nan 0.000 0.439 224 A N 3.632 126.426 122.820 -0.043 0.000 2.229 224 A HA 0.207 4.527 4.320 -0.000 0.000 0.211 224 A C 0.467 177.849 177.584 -0.337 0.000 1.193 224 A CA 0.326 52.209 52.037 -0.257 0.000 0.879 224 A CB 0.057 18.754 19.000 -0.505 0.000 0.911 224 A HN 0.619 nan 8.150 nan 0.000 0.492 225 Y N 0.381 120.752 120.300 0.119 0.000 2.734 225 Y HA 0.302 4.852 4.550 -0.000 0.000 0.278 225 Y C 0.663 176.734 175.900 0.284 0.000 1.108 225 Y CA -0.649 57.601 58.100 0.249 0.000 1.211 225 Y CB 0.095 38.657 38.460 0.170 0.000 1.182 225 Y HN 0.354 nan 8.280 nan 0.000 0.547 226 Q N 0.978 120.943 119.800 0.274 0.000 2.244 226 Q HA 0.300 4.640 4.340 -0.000 0.000 0.278 226 Q C 1.038 177.089 176.000 0.085 0.000 1.093 226 Q CA 1.386 57.291 55.803 0.169 0.000 0.916 226 Q CB 0.089 28.899 28.738 0.120 0.000 1.159 226 Q HN 0.812 nan 8.270 nan 0.000 0.384 227 G N 3.380 112.183 108.800 0.006 0.000 2.231 227 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 227 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 227 G C 0.105 174.818 174.900 -0.312 0.000 0.996 227 G CA -0.056 44.910 45.100 -0.223 0.000 0.645 227 G HN 0.640 nan 8.290 nan 0.000 0.498 228 F N 1.616 121.573 119.950 0.012 0.000 2.749 228 F HA 0.409 4.936 4.527 -0.000 0.000 0.300 228 F C 2.272 178.069 175.800 -0.005 0.000 1.103 228 F CA 1.095 59.097 58.000 0.003 0.000 1.342 228 F CB 0.475 39.520 39.000 0.074 0.000 1.098 228 F HN 0.305 nan 8.300 nan 0.000 0.586 229 G N -0.409 108.488 108.800 0.163 0.000 2.618 229 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.222 229 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.222 229 G C 0.956 175.893 174.900 0.062 0.000 1.520 229 G CA 0.421 45.592 45.100 0.118 0.000 0.930 229 G HN 0.116 nan 8.290 nan 0.000 0.547 230 D N 0.082 120.508 120.400 0.043 0.000 2.449 230 D HA 0.354 4.994 4.640 -0.000 0.000 0.210 230 D C 1.085 177.369 176.300 -0.028 0.000 1.094 230 D CA 0.947 54.955 54.000 0.012 0.000 0.846 230 D CB 1.943 42.760 40.800 0.029 0.000 1.003 230 D HN 0.554 nan 8.370 nan 0.000 0.504 234 E N 1.094 121.264 120.200 -0.049 0.000 2.072 234 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 234 E C 1.598 178.181 176.600 -0.029 0.000 0.982 234 E CA 0.980 57.360 56.400 -0.033 0.000 0.803 234 E CB 0.116 29.796 29.700 -0.033 0.000 0.755 234 E HN 0.349 nan 8.360 nan 0.000 0.453 235 E N 1.087 121.271 120.200 -0.026 0.000 2.110 235 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 235 E C 1.262 177.865 176.600 0.004 0.000 0.988 235 E CA 0.823 57.216 56.400 -0.011 0.000 0.804 235 E CB 0.041 29.739 29.700 -0.004 0.000 0.745 235 E HN 0.190 nan 8.360 nan 0.000 0.458 236 D N -0.458 119.950 120.400 0.014 0.000 2.312 236 D HA -0.062 4.578 4.640 -0.000 0.000 0.211 236 D C 1.220 177.531 176.300 0.020 0.000 0.964 236 D CA 0.734 54.764 54.000 0.050 0.000 0.877 236 D CB 0.115 40.961 40.800 0.077 0.000 0.924 236 D HN 0.136 nan 8.370 nan 0.000 0.515 237 A N 0.129 122.936 122.820 -0.021 0.000 2.308 237 A HA 0.450 4.770 4.320 -0.000 0.000 0.217 237 A C 2.088 179.593 177.584 -0.131 0.000 1.216 237 A CA 0.700 52.700 52.037 -0.062 0.000 0.864 237 A CB 0.083 19.061 19.000 -0.037 0.000 0.902 237 A HN 0.122 nan 8.150 nan 0.000 0.499 238 A N 0.307 123.052 122.820 -0.126 0.000 1.873 238 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 238 A C 2.353 179.745 177.584 -0.321 0.000 1.193 238 A CA 2.085 54.027 52.037 -0.159 0.000 0.629 238 A CB -1.388 17.557 19.000 -0.092 0.000 0.826 238 A HN 0.763 nan 8.150 nan 0.000 0.447 239 G N -1.532 106.917 108.800 -0.585 0.000 2.422 239 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 239 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 239 G C 1.564 175.815 174.900 -1.081 0.000 1.146 239 G CA 1.706 45.984 45.100 -1.370 0.000 0.769 239 G HN 0.458 nan 8.290 nan 0.000 0.547 240 T N 0.535 114.682 114.554 -0.678 0.000 2.737 240 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 240 T C 2.539 177.095 174.700 -0.240 0.000 1.038 240 T CA 1.287 63.159 62.100 -0.380 0.000 1.144 240 T CB -0.125 68.624 68.868 -0.198 0.000 0.866 240 T HN 0.170 nan 8.240 nan 0.000 0.434 241 R N 0.562 120.942 120.500 -0.202 0.000 2.105 241 R HA 0.079 4.419 4.340 -0.000 0.000 0.239 241 R C 2.319 178.552 176.300 -0.113 0.000 1.135 241 R CA 0.807 56.831 56.100 -0.126 0.000 0.967 241 R CB -0.621 29.619 30.300 -0.100 0.000 0.861 241 R HN 0.348 nan 8.270 nan 0.000 0.442 242 L N -0.055 121.076 121.223 -0.153 0.000 2.027 242 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 242 L C 1.673 178.511 176.870 -0.053 0.000 1.074 242 L CA 1.224 56.009 54.840 -0.091 0.000 0.745 242 L CB -0.152 41.853 42.059 -0.090 0.000 0.898 242 L HN 0.153 nan 8.230 nan 0.000 0.433 243 I N 0.598 121.119 120.570 -0.082 0.000 2.208 243 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 243 I C 2.789 178.901 176.117 -0.008 0.000 1.097 243 I CA 1.558 62.855 61.300 -0.005 0.000 1.363 243 I CB -1.762 36.243 38.000 0.007 0.000 1.051 243 I HN 0.354 nan 8.210 nan 0.000 0.413 244 A N 0.696 123.494 122.820 -0.037 0.000 2.015 244 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 244 A C 2.460 180.035 177.584 -0.015 0.000 1.163 244 A CA 1.939 53.962 52.037 -0.024 0.000 0.646 244 A CB -0.572 18.406 19.000 -0.037 0.000 0.806 244 A HN 0.571 nan 8.150 nan 0.000 0.448 245 S N -1.148 114.541 115.700 -0.018 0.000 2.458 245 S HA 0.022 4.492 4.470 -0.000 0.000 0.223 245 S C 1.878 176.479 174.600 0.001 0.000 1.019 245 S CA 0.350 58.544 58.200 -0.010 0.000 0.937 245 S CB -0.106 63.085 63.200 -0.014 0.000 0.788 245 S HN 0.527 nan 8.310 nan 0.000 0.511 246 R N 0.401 120.906 120.500 0.009 0.000 2.105 246 R HA 0.403 4.743 4.340 -0.000 0.000 0.214 246 R C -0.022 176.289 176.300 0.019 0.000 1.091 246 R CA 0.285 56.397 56.100 0.018 0.000 1.007 246 R CB -0.657 29.663 30.300 0.033 0.000 0.912 246 R HN 0.400 nan 8.270 nan 0.000 0.450 247 I N 2.361 122.943 120.570 0.021 0.000 2.353 247 I HA 0.174 4.344 4.170 -0.000 0.000 0.293 247 I C -1.584 174.542 176.117 0.014 0.000 0.992 247 I CA -2.273 59.039 61.300 0.021 0.000 1.268 247 I CB 1.596 39.614 38.000 0.030 0.000 1.387 247 I HN -0.114 nan 8.210 nan 0.000 0.478 248 P HA -0.055 nan 4.420 nan 0.000 0.223 248 P C -0.177 177.129 177.300 0.011 0.000 1.151 248 P CA 0.796 63.902 63.100 0.009 0.000 0.787 248 P CB 0.315 32.020 31.700 0.008 0.000 0.788 249 E N -0.235 119.974 120.200 0.015 0.000 2.244 249 E HA 0.474 4.824 4.350 -0.000 0.000 0.260 249 E C -1.856 174.758 176.600 0.024 0.000 0.884 249 E CA -0.806 55.604 56.400 0.017 0.000 0.777 249 E CB 1.868 31.578 29.700 0.017 0.000 1.197 249 E HN -0.259 nan 8.360 nan 0.000 0.416 250 V N 4.926 124.855 119.914 0.024 0.000 2.969 250 V HA 0.506 4.626 4.120 -0.000 0.000 0.304 250 V C -2.143 173.970 176.094 0.031 0.000 1.192 250 V CA -0.726 61.593 62.300 0.032 0.000 0.962 250 V CB 1.841 33.682 31.823 0.031 0.000 1.045 250 V HN 0.547 nan 8.190 nan 0.000 0.428 251 L N 6.219 127.467 121.223 0.041 0.000 2.317 251 L HA 0.754 5.094 4.340 -0.000 0.000 0.281 251 L C -0.492 176.405 176.870 0.045 0.000 1.024 251 L CA -0.265 54.601 54.840 0.042 0.000 0.810 251 L CB 1.497 43.586 42.059 0.050 0.000 1.240 251 L HN 0.784 nan 8.230 nan 0.000 0.427 252 I N 2.356 122.949 120.570 0.038 0.000 2.500 252 I HA 0.765 4.935 4.170 -0.000 0.000 0.286 252 I C -0.824 175.316 176.117 0.038 0.000 1.063 252 I CA -0.417 60.905 61.300 0.036 0.000 1.062 252 I CB 1.677 39.689 38.000 0.020 0.000 1.223 252 I HN 0.595 nan 8.210 nan 0.000 0.435 253 A N 6.595 129.442 122.820 0.045 0.000 2.253 253 A HA 0.916 5.236 4.320 -0.000 0.000 0.316 253 A C -0.141 177.460 177.584 0.028 0.000 1.327 253 A CA -0.017 52.048 52.037 0.047 0.000 0.917 253 A CB 0.130 19.168 19.000 0.063 0.000 1.162 253 A HN 1.139 nan 8.150 nan 0.000 0.535 254 A N 2.063 124.900 122.820 0.029 0.000 2.340 254 A HA 0.818 5.138 4.320 -0.000 0.000 0.331 254 A C 0.155 177.751 177.584 0.020 0.000 1.140 254 A CA -0.330 51.719 52.037 0.019 0.000 0.801 254 A CB 1.235 20.248 19.000 0.022 0.000 1.234 254 A HN 1.269 nan 8.150 nan 0.000 0.469 255 S N -0.169 115.526 115.700 -0.008 0.000 2.513 255 S HA 0.429 4.899 4.470 -0.000 0.000 0.299 255 S C 0.006 174.617 174.600 0.019 0.000 1.087 255 S CA -0.527 57.659 58.200 -0.024 0.000 1.012 255 S CB 1.036 64.163 63.200 -0.121 0.000 1.044 255 S HN 0.793 nan 8.310 nan 0.000 0.485 256 C N 2.942 122.261 119.300 0.033 0.000 3.038 256 C HA 0.273 4.733 4.460 -0.000 0.000 0.279 256 C C 2.398 177.412 174.990 0.040 0.000 1.276 256 C CA -0.250 58.838 59.018 0.117 0.000 1.697 256 C CB -1.467 26.266 27.740 -0.012 0.000 2.032 256 C HN 0.885 nan 8.230 nan 0.000 0.636 257 S N 2.100 117.741 115.700 -0.099 0.000 2.353 257 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 257 S C 1.885 176.107 174.600 -0.630 0.000 1.035 257 S CA 1.673 59.693 58.200 -0.300 0.000 1.025 257 S CB -0.041 63.024 63.200 -0.225 0.000 0.902 257 S HN 0.650 nan 8.310 nan 0.000 0.440 258 K N 1.839 122.007 120.400 -0.388 0.000 2.044 258 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 258 K C 1.789 178.542 176.600 0.256 0.000 1.045 258 K CA 1.146 57.302 56.287 -0.218 0.000 0.951 258 K CB -0.269 32.107 32.500 -0.206 0.000 0.738 258 K HN 0.387 nan 8.250 nan 0.000 0.443 259 N N 0.022 118.916 118.700 0.322 0.000 2.459 259 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 259 N C 0.786 176.378 175.510 0.137 0.000 1.046 259 N CA 1.139 54.312 53.050 0.206 0.000 0.904 259 N CB -0.217 38.351 38.487 0.136 0.000 0.964 259 N HN 0.137 nan 8.380 nan 0.000 0.444 260 F N -0.664 119.372 119.950 0.144 0.000 2.706 260 F HA 0.411 4.939 4.527 0.000 0.000 0.308 260 F C 1.604 177.437 175.800 0.056 0.000 1.095 260 F CA 0.073 58.117 58.000 0.074 0.000 1.244 260 F CB 0.388 39.307 39.000 -0.135 0.000 1.063 260 F HN 0.159 nan 8.300 nan 0.000 0.582 261 G N 2.196 111.080 108.800 0.141 0.000 2.225 261 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 261 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 261 G C 0.529 175.531 174.900 0.171 0.000 1.024 261 G CA 0.625 45.806 45.100 0.136 0.000 0.784 261 G HN 0.596 nan 8.290 nan 0.000 0.507 262 I N -3.500 117.090 120.570 0.033 0.000 3.376 262 I HA 0.449 4.619 4.170 -0.000 0.000 0.347 262 I C 1.584 177.752 176.117 0.084 0.000 1.453 262 I CA -1.282 60.077 61.300 0.099 0.000 1.044 262 I CB -0.356 37.667 38.000 0.039 0.000 1.668 262 I HN 0.005 nan 8.210 nan 0.000 0.490 263 Y N 2.623 122.983 120.300 0.099 0.000 2.062 263 Y HA -0.323 4.227 4.550 -0.000 0.000 0.276 263 Y C 2.833 178.765 175.900 0.053 0.000 1.189 263 Y CA 2.476 60.623 58.100 0.077 0.000 1.130 263 Y CB -0.654 37.859 38.460 0.089 0.000 0.959 263 Y HN 0.465 nan 8.280 nan 0.000 0.499 264 R N 0.339 120.984 120.500 0.241 0.000 2.280 264 R HA -0.054 4.286 4.340 -0.000 0.000 0.207 264 R C 1.250 177.595 176.300 0.075 0.000 1.043 264 R CA 1.215 57.393 56.100 0.129 0.000 1.006 264 R CB -0.361 30.001 30.300 0.102 0.000 0.885 264 R HN 0.284 nan 8.270 nan 0.000 0.467 265 E N 1.372 121.615 120.200 0.071 0.000 2.274 265 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 265 E C -0.097 176.497 176.600 -0.010 0.000 0.996 265 E CA 0.229 56.650 56.400 0.035 0.000 0.840 265 E CB 0.014 29.738 29.700 0.039 0.000 0.772 265 E HN 0.188 nan 8.360 nan 0.000 0.491 266 R N 0.493 120.990 120.500 -0.005 0.000 3.076 266 R HA -0.091 4.249 4.340 -0.000 0.000 0.261 266 R C -0.830 175.427 176.300 -0.072 0.000 0.930 266 R CA 0.461 56.545 56.100 -0.026 0.000 0.649 266 R CB -3.274 27.004 30.300 -0.037 0.000 1.350 266 R HN 0.022 nan 8.270 nan 0.000 0.453 267 T N -0.015 114.490 114.554 -0.082 0.000 2.786 267 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 267 T C 0.669 175.347 174.700 -0.036 0.000 0.992 267 T CA 0.099 62.119 62.100 -0.133 0.000 0.954 267 T CB 2.203 70.942 68.868 -0.216 0.000 0.934 267 T HN 0.574 nan 8.240 nan 0.000 0.440 268 G N 0.164 108.978 108.800 0.023 0.000 2.788 268 G HA2 0.652 4.612 3.960 -0.000 0.000 0.293 268 G HA3 0.652 4.612 3.960 -0.000 0.000 0.293 268 G C -1.698 173.333 174.900 0.219 0.000 1.392 268 G CA -0.623 44.540 45.100 0.105 0.000 0.810 268 G HN 0.900 nan 8.290 nan 0.000 0.508 269 C N -0.182 119.220 119.300 0.170 0.000 2.891 269 C HA 0.735 5.195 4.460 -0.000 0.000 0.342 269 C C -1.655 173.391 174.990 0.093 0.000 1.126 269 C CA -0.703 58.416 59.018 0.169 0.000 1.322 269 C CB 0.619 28.412 27.740 0.087 0.000 1.763 269 C HN 0.986 nan 8.230 nan 0.000 0.491 270 L N 6.079 127.358 121.223 0.092 0.000 2.313 270 L HA 0.817 5.157 4.340 -0.000 0.000 0.283 270 L C -1.258 175.640 176.870 0.045 0.000 1.013 270 L CA -0.213 54.669 54.840 0.069 0.000 0.816 270 L CB 1.289 43.397 42.059 0.081 0.000 1.236 270 L HN 0.711 nan 8.230 nan 0.000 0.419 271 L N 5.359 126.599 121.223 0.029 0.000 2.341 271 L HA 0.829 5.169 4.340 -0.000 0.000 0.278 271 L C -0.277 176.605 176.870 0.020 0.000 1.005 271 L CA -0.714 54.135 54.840 0.014 0.000 0.818 271 L CB 1.892 43.948 42.059 -0.006 0.000 1.259 271 L HN 0.789 nan 8.230 nan 0.000 0.418 272 A N 4.406 127.237 122.820 0.019 0.000 2.293 272 A HA 0.697 5.017 4.320 -0.000 0.000 0.312 272 A C -0.939 176.652 177.584 0.013 0.000 1.309 272 A CA -0.466 51.583 52.037 0.020 0.000 0.839 272 A CB 0.495 19.509 19.000 0.024 0.000 1.155 272 A HN 0.479 nan 8.150 nan 0.000 0.501 273 L N 2.642 123.872 121.223 0.011 0.000 2.260 273 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 273 L C -0.139 176.736 176.870 0.009 0.000 1.057 273 L CA 0.210 55.054 54.840 0.007 0.000 0.811 273 L CB 0.562 42.623 42.059 0.004 0.000 1.184 273 L HN 0.720 nan 8.230 nan 0.000 0.429 274 C N 1.319 120.623 119.300 0.006 0.000 2.454 274 C HA 0.647 5.107 4.460 -0.000 0.000 0.336 274 C C 1.688 176.681 174.990 0.004 0.000 1.189 274 C CA -0.687 58.335 59.018 0.006 0.000 1.877 274 C CB 1.380 29.123 27.740 0.006 0.000 2.348 274 C HN 0.949 nan 8.230 nan 0.000 0.508 275 A N 0.698 123.521 122.820 0.005 0.000 2.067 275 A HA 0.098 4.418 4.320 -0.000 0.000 0.219 275 A C 0.429 178.014 177.584 0.002 0.000 1.158 275 A CA 1.875 53.914 52.037 0.004 0.000 0.661 275 A CB -0.533 18.470 19.000 0.004 0.000 0.801 275 A HN 1.035 nan 8.150 nan 0.000 0.452 276 D N -5.502 114.899 120.400 0.001 0.000 2.692 276 D HA 0.529 5.169 4.640 -0.000 0.000 0.290 276 D C 0.441 176.741 176.300 0.000 0.000 1.281 276 D CA -0.087 53.914 54.000 0.001 0.000 0.804 276 D CB 0.695 41.495 40.800 0.000 0.000 1.331 276 D HN 0.000 nan 8.370 nan 0.000 0.432 277 A N 0.177 122.997 122.820 -0.000 0.000 1.972 277 A HA 0.146 4.466 4.320 -0.000 0.000 0.219 277 A C 2.165 179.748 177.584 -0.001 0.000 1.169 277 A CA 2.319 54.355 52.037 -0.000 0.000 0.635 277 A CB -1.317 17.683 19.000 0.000 0.000 0.810 277 A HN 0.741 nan 8.150 nan 0.000 0.446 278 A N -0.751 122.068 122.820 -0.002 0.000 1.858 278 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 278 A C 2.308 179.889 177.584 -0.005 0.000 1.190 278 A CA 2.293 54.328 52.037 -0.004 0.000 0.617 278 A CB -1.331 17.667 19.000 -0.005 0.000 0.827 278 A HN 0.435 nan 8.150 nan 0.000 0.443 279 T N -0.669 113.883 114.554 -0.003 0.000 2.833 279 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 279 T C 2.019 176.719 174.700 -0.001 0.000 1.054 279 T CA 1.224 63.322 62.100 -0.003 0.000 1.135 279 T CB -0.256 68.612 68.868 0.000 0.000 0.869 279 T HN 0.483 nan 8.240 nan 0.000 0.466 280 R N 0.995 121.496 120.500 0.001 0.000 2.091 280 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 280 R C 2.167 178.469 176.300 0.003 0.000 1.136 280 R CA 1.348 57.450 56.100 0.003 0.000 0.959 280 R CB -0.098 30.204 30.300 0.003 0.000 0.856 280 R HN 0.285 nan 8.270 nan 0.000 0.437 281 E N 0.837 121.037 120.200 0.000 0.000 2.077 281 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 281 E C 2.151 178.747 176.600 -0.006 0.000 0.989 281 E CA 0.886 57.285 56.400 -0.001 0.000 0.800 281 E CB -0.314 29.384 29.700 -0.004 0.000 0.746 281 E HN 0.391 nan 8.360 nan 0.000 0.452 282 L N 0.433 121.650 121.223 -0.011 0.000 1.994 282 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 282 L C 2.549 179.410 176.870 -0.015 0.000 1.071 282 L CA 1.364 56.192 54.840 -0.020 0.000 0.745 282 L CB -0.618 41.429 42.059 -0.021 0.000 0.892 282 L HN 0.081 nan 8.230 nan 0.000 0.431 283 A N -0.492 122.326 122.820 -0.003 0.000 1.865 283 A HA -0.321 3.999 4.320 -0.000 0.000 0.217 283 A C 2.181 179.774 177.584 0.016 0.000 1.191 283 A CA 2.105 54.147 52.037 0.007 0.000 0.623 283 A CB -0.684 18.324 19.000 0.012 0.000 0.826 283 A HN 0.420 nan 8.150 nan 0.000 0.444 284 Q N -0.212 119.597 119.800 0.015 0.000 2.096 284 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 284 Q C 1.958 177.973 176.000 0.026 0.000 0.982 284 Q CA 2.300 58.117 55.803 0.023 0.000 0.850 284 Q CB -1.011 27.739 28.738 0.020 0.000 0.901 284 Q HN 0.533 nan 8.270 nan 0.000 0.422 285 G N -0.389 108.419 108.800 0.013 0.000 2.418 285 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 285 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 285 G C 1.444 176.361 174.900 0.028 0.000 1.158 285 G CA 0.895 46.001 45.100 0.011 0.000 0.771 285 G HN 0.522 nan 8.290 nan 0.000 0.545 286 A N 0.200 123.024 122.820 0.007 0.000 1.968 286 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 286 A C 2.417 180.068 177.584 0.110 0.000 1.169 286 A CA 1.500 53.555 52.037 0.029 0.000 0.638 286 A CB -0.270 18.723 19.000 -0.013 0.000 0.812 286 A HN 0.387 nan 8.150 nan 0.000 0.446 287 M N -0.664 118.978 119.600 0.071 0.000 2.099 287 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 287 M C 2.539 178.870 176.300 0.052 0.000 1.067 287 M CA 1.392 56.730 55.300 0.063 0.000 1.124 287 M CB -0.310 32.321 32.600 0.051 0.000 1.353 287 M HN 0.453 nan 8.290 nan 0.000 0.410 288 A N -0.061 122.791 122.820 0.053 0.000 1.902 288 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 288 A C 2.003 179.588 177.584 0.001 0.000 1.181 288 A CA 1.405 53.452 52.037 0.016 0.000 0.623 288 A CB -1.046 17.967 19.000 0.021 0.000 0.818 288 A HN 0.539 nan 8.150 nan 0.000 0.443 289 F N 0.124 120.018 119.950 -0.094 0.000 2.126 289 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 289 F C 1.795 177.517 175.800 -0.129 0.000 1.096 289 F CA 1.579 59.516 58.000 -0.105 0.000 1.255 289 F CB -0.239 38.718 39.000 -0.072 0.000 0.997 289 F HN 0.155 nan 8.300 nan 0.000 0.479 290 L N 0.855 122.086 121.223 0.013 0.000 2.079 290 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 290 L C 2.093 178.779 176.870 -0.307 0.000 1.081 290 L CA 1.587 56.357 54.840 -0.117 0.000 0.752 290 L CB -1.530 40.532 42.059 0.004 0.000 0.896 290 L HN 0.163 nan 8.230 nan 0.000 0.433 291 N N -0.713 117.802 118.700 -0.308 0.000 2.106 291 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 291 N C 2.000 177.150 175.510 -0.600 0.000 1.029 291 N CA 0.968 53.702 53.050 -0.527 0.000 0.848 291 N CB -0.164 38.160 38.487 -0.271 0.000 1.007 291 N HN 0.182 nan 8.380 nan 0.000 0.423 292 R N 0.449 120.678 120.500 -0.451 0.000 2.117 292 R HA -0.079 4.261 4.340 -0.000 0.000 0.243 292 R C 1.261 177.295 176.300 -0.443 0.000 1.143 292 R CA 1.281 57.114 56.100 -0.444 0.000 0.968 292 R CB 0.096 30.160 30.300 -0.393 0.000 0.863 292 R HN 0.254 nan 8.270 nan 0.000 0.444 293 Q N -1.108 118.372 119.800 -0.533 0.000 2.432 293 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 293 Q C 1.305 177.115 176.000 -0.316 0.000 0.945 293 Q CA 1.111 56.641 55.803 -0.455 0.000 0.924 293 Q CB 0.742 29.126 28.738 -0.590 0.000 1.016 293 Q HN 0.357 nan 8.270 nan 0.000 0.503 294 T N -0.637 113.681 114.554 -0.393 0.000 3.046 294 T HA 0.028 4.378 4.350 -0.000 0.000 0.242 294 T C 0.475 175.087 174.700 -0.146 0.000 1.018 294 T CA 0.759 62.680 62.100 -0.299 0.000 1.131 294 T CB 0.171 68.792 68.868 -0.411 0.000 0.904 294 T HN 0.437 nan 8.240 nan 0.000 0.459 295 Y N -1.044 119.218 120.300 -0.064 0.000 3.088 295 Y HA 0.628 5.178 4.550 -0.000 0.000 0.293 295 Y C 0.485 176.361 175.900 -0.040 0.000 1.016 295 Y CA -0.480 57.602 58.100 -0.030 0.000 1.285 295 Y CB -0.425 38.037 38.460 0.003 0.000 1.373 295 Y HN 0.087 nan 8.280 nan 0.000 0.589 296 S N 0.267 115.894 115.700 -0.122 0.000 3.973 296 S HA -0.269 4.201 4.470 -0.000 0.000 0.627 296 S C -0.087 174.460 174.600 -0.088 0.000 2.126 296 S CA 0.874 58.947 58.200 -0.212 0.000 4.069 296 S CB -1.589 61.559 63.200 -0.088 0.000 0.220 296 S HN 0.477 nan 8.310 nan 0.000 0.739 297 F N 4.893 124.910 119.950 0.112 0.000 2.553 297 F HA 0.397 4.924 4.527 -0.000 0.000 0.356 297 F C -1.159 174.796 175.800 0.260 0.000 1.142 297 F CA -0.564 57.534 58.000 0.164 0.000 1.322 297 F CB -0.030 39.048 39.000 0.131 0.000 1.126 297 F HN 0.317 nan 8.300 nan 0.000 0.599 298 P HA 0.175 nan 4.420 nan 0.000 0.284 298 P C -2.613 174.758 177.300 0.119 0.000 1.258 298 P CA -1.738 61.484 63.100 0.204 0.000 0.824 298 P CB 0.403 32.221 31.700 0.197 0.000 1.038 299 P HA -0.012 nan 4.420 nan 0.000 0.262 299 P C 0.406 177.725 177.300 0.032 0.000 1.199 299 P CA 0.099 63.212 63.100 0.022 0.000 0.763 299 P CB 0.365 32.037 31.700 -0.046 0.000 0.790 300 F N 3.873 123.790 119.950 -0.055 0.000 2.163 300 F HA -0.138 4.389 4.527 0.000 0.000 0.297 300 F C 2.558 178.288 175.800 -0.115 0.000 1.094 300 F CA 1.417 59.364 58.000 -0.088 0.000 1.290 300 F CB -0.620 38.350 39.000 -0.050 0.000 1.017 300 F HN 0.409 nan 8.300 nan 0.000 0.483 301 H N -0.199 118.832 119.070 -0.066 0.000 2.252 301 H HA -0.157 4.399 4.556 0.000 0.000 0.292 301 H C 2.490 177.629 175.328 -0.315 0.000 1.082 301 H CA 2.434 58.377 56.048 -0.176 0.000 1.229 301 H CB -1.003 28.736 29.762 -0.038 0.000 1.353 301 H HN 0.344 nan 8.280 nan 0.000 0.488 302 G N -0.525 108.146 108.800 -0.215 0.000 2.440 302 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 302 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 302 G C 1.868 176.469 174.900 -0.497 0.000 1.154 302 G CA 1.011 45.933 45.100 -0.296 0.000 0.767 302 G HN 0.640 nan 8.290 nan 0.000 0.552 303 A N 0.506 122.942 122.820 -0.640 0.000 1.969 303 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 303 A C 2.207 179.361 177.584 -0.717 0.000 1.169 303 A CA 2.250 53.721 52.037 -0.944 0.000 0.635 303 A CB -0.306 17.897 19.000 -1.328 0.000 0.810 303 A HN 0.342 nan 8.150 nan 0.000 0.445 304 K N 0.342 120.248 120.400 -0.822 0.000 2.097 304 K HA 0.049 4.369 4.320 -0.000 0.000 0.205 304 K C 1.559 177.851 176.600 -0.513 0.000 1.050 304 K CA 1.280 57.111 56.287 -0.759 0.000 0.938 304 K CB -0.530 31.295 32.500 -1.126 0.000 0.718 304 K HN 0.504 nan 8.250 nan 0.000 0.442 305 I N -0.174 120.067 120.570 -0.548 0.000 2.179 305 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 305 I C 1.983 177.852 176.117 -0.413 0.000 1.088 305 I CA 1.052 62.097 61.300 -0.425 0.000 1.357 305 I CB -0.262 37.502 38.000 -0.393 0.000 1.051 305 I HN -0.067 nan 8.210 nan 0.000 0.409 306 V N 1.005 120.592 119.914 -0.545 0.000 2.255 306 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 306 V C 2.653 178.515 176.094 -0.387 0.000 1.051 306 V CA 2.425 64.286 62.300 -0.732 0.000 1.018 306 V CB -0.941 30.450 31.823 -0.721 0.000 0.641 306 V HN 0.624 nan 8.190 nan 0.000 0.445 307 S N -0.811 114.774 115.700 -0.192 0.000 2.402 307 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 307 S C 1.899 176.431 174.600 -0.113 0.000 1.021 307 S CA 1.806 59.945 58.200 -0.103 0.000 0.974 307 S CB -0.738 62.452 63.200 -0.018 0.000 0.800 307 S HN 0.587 nan 8.310 nan 0.000 0.484 308 T N 2.453 116.919 114.554 -0.146 0.000 2.674 308 T HA -0.020 4.330 4.350 -0.000 0.000 0.265 308 T C 1.929 176.585 174.700 -0.074 0.000 1.039 308 T CA 1.475 63.513 62.100 -0.103 0.000 1.150 308 T CB -0.657 68.138 68.868 -0.122 0.000 0.864 308 T HN 0.283 nan 8.240 nan 0.000 0.427 309 V N 1.422 121.278 119.914 -0.097 0.000 2.287 309 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 309 V C 2.462 178.553 176.094 -0.005 0.000 1.053 309 V CA 1.374 63.653 62.300 -0.035 0.000 1.027 309 V CB -0.616 31.187 31.823 -0.033 0.000 0.646 309 V HN 0.309 nan 8.190 nan 0.000 0.447 310 L N 0.701 121.896 121.223 -0.047 0.000 2.201 310 L HA -0.084 4.255 4.340 -0.000 0.000 0.212 310 L C 2.513 179.388 176.870 0.007 0.000 1.105 310 L CA 2.513 57.349 54.840 -0.007 0.000 0.775 310 L CB -1.198 40.834 42.059 -0.045 0.000 0.913 310 L HN 0.668 nan 8.230 nan 0.000 0.440 311 T N -6.472 108.075 114.554 -0.012 0.000 3.060 311 T HA 0.078 4.428 4.350 -0.000 0.000 0.249 311 T C 0.782 175.486 174.700 0.006 0.000 1.079 311 T CA 0.016 62.114 62.100 -0.004 0.000 1.013 311 T CB -0.302 68.558 68.868 -0.014 0.000 0.975 311 T HN 0.103 nan 8.240 nan 0.000 0.518 312 T N 3.957 118.517 114.554 0.011 0.000 2.832 312 T HA 0.343 4.693 4.350 -0.000 0.000 0.313 312 T C -1.912 172.809 174.700 0.036 0.000 1.035 312 T CA -1.220 60.891 62.100 0.018 0.000 0.950 312 T CB 1.529 70.405 68.868 0.013 0.000 0.984 312 T HN -0.042 nan 8.240 nan 0.000 0.486 313 P HA -0.275 nan 4.420 nan 0.000 0.219 313 P C 1.613 178.940 177.300 0.046 0.000 1.161 313 P CA 1.352 64.475 63.100 0.038 0.000 0.909 313 P CB 0.197 31.913 31.700 0.026 0.000 0.793 314 E N -1.126 119.097 120.200 0.039 0.000 2.204 314 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 314 E C 1.654 178.290 176.600 0.060 0.000 0.989 314 E CA 0.962 57.387 56.400 0.042 0.000 0.824 314 E CB -0.877 28.843 29.700 0.033 0.000 0.756 314 E HN 0.101 nan 8.360 nan 0.000 0.477 315 L N 1.391 122.654 121.223 0.068 0.000 2.072 315 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 315 L C 2.685 179.648 176.870 0.154 0.000 1.079 315 L CA 1.483 56.380 54.840 0.094 0.000 0.752 315 L CB -0.915 41.185 42.059 0.068 0.000 0.906 315 L HN 0.143 nan 8.230 nan 0.000 0.436 316 R N -0.452 120.140 120.500 0.153 0.000 2.096 316 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 316 R C 2.128 178.552 176.300 0.206 0.000 1.127 316 R CA 1.279 57.528 56.100 0.248 0.000 0.968 316 R CB -0.091 30.325 30.300 0.193 0.000 0.861 316 R HN 0.339 nan 8.270 nan 0.000 0.440 317 A N 0.770 123.656 122.820 0.110 0.000 1.902 317 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 317 A C 1.784 179.387 177.584 0.031 0.000 1.181 317 A CA 2.011 54.078 52.037 0.050 0.000 0.623 317 A CB -0.614 18.405 19.000 0.032 0.000 0.818 317 A HN 0.488 nan 8.150 nan 0.000 0.443 318 D N -2.162 118.279 120.400 0.068 0.000 2.149 318 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 318 D C 1.603 177.941 176.300 0.063 0.000 0.972 318 D CA 1.232 55.264 54.000 0.053 0.000 0.835 318 D CB -0.255 40.588 40.800 0.073 0.000 0.966 318 D HN 0.612 nan 8.370 nan 0.000 0.476 319 W N 0.741 122.009 121.300 -0.054 0.000 2.363 319 W HA -0.090 4.570 4.660 0.000 0.000 0.296 319 W C 1.918 178.338 176.519 -0.166 0.000 1.212 319 W CA 1.284 58.565 57.345 -0.108 0.000 1.260 319 W CB -0.351 29.043 29.460 -0.110 0.000 1.131 319 W HN -0.051 nan 8.180 nan 0.000 0.530 320 M N 0.432 119.786 119.600 -0.410 0.000 2.086 320 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 320 M C 2.428 178.462 176.300 -0.444 0.000 1.067 320 M CA 2.106 57.035 55.300 -0.617 0.000 1.116 320 M CB -0.992 31.421 32.600 -0.313 0.000 1.348 320 M HN 0.133 nan 8.290 nan 0.000 0.407 321 A N 0.236 122.906 122.820 -0.251 0.000 1.865 321 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 321 A C 1.944 179.405 177.584 -0.206 0.000 1.191 321 A CA 2.244 54.172 52.037 -0.182 0.000 0.623 321 A CB -0.930 18.010 19.000 -0.099 0.000 0.826 321 A HN 0.585 nan 8.150 nan 0.000 0.444 322 E N -0.728 119.351 120.200 -0.201 0.000 2.051 322 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 322 E C 1.898 178.322 176.600 -0.293 0.000 0.991 322 E CA 1.408 57.699 56.400 -0.181 0.000 0.799 322 E CB -0.259 29.382 29.700 -0.099 0.000 0.748 322 E HN 0.400 nan 8.360 nan 0.000 0.449 323 L N 1.437 122.367 121.223 -0.488 0.000 2.079 323 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 323 L C 2.199 178.769 176.870 -0.501 0.000 1.081 323 L CA 2.169 56.635 54.840 -0.623 0.000 0.752 323 L CB -0.549 40.914 42.059 -0.994 0.000 0.896 323 L HN 0.186 nan 8.230 nan 0.000 0.433 324 E N -0.243 119.711 120.200 -0.410 0.000 2.106 324 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 324 E C 2.099 178.578 176.600 -0.202 0.000 0.984 324 E CA 1.385 57.612 56.400 -0.288 0.000 0.806 324 E CB -0.317 29.240 29.700 -0.238 0.000 0.750 324 E HN 0.522 nan 8.360 nan 0.000 0.458 325 A N 0.057 122.769 122.820 -0.179 0.000 1.902 325 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 325 A C 2.483 180.010 177.584 -0.096 0.000 1.181 325 A CA 1.572 53.543 52.037 -0.110 0.000 0.623 325 A CB -0.752 18.198 19.000 -0.083 0.000 0.818 325 A HN 0.192 nan 8.150 nan 0.000 0.443 326 V N 0.014 119.830 119.914 -0.163 0.000 2.261 326 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 326 V C 2.636 178.681 176.094 -0.081 0.000 1.047 326 V CA 2.336 64.539 62.300 -0.161 0.000 1.015 326 V CB -0.814 30.764 31.823 -0.408 0.000 0.642 326 V HN 0.653 nan 8.190 nan 0.000 0.446 327 R N 0.157 120.563 120.500 -0.157 0.000 2.097 327 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 327 R C 2.521 178.805 176.300 -0.027 0.000 1.135 327 R CA 2.241 58.292 56.100 -0.081 0.000 0.934 327 R CB -0.461 29.741 30.300 -0.163 0.000 0.846 327 R HN 0.534 nan 8.270 nan 0.000 0.431 328 S N -0.419 115.249 115.700 -0.052 0.000 2.383 328 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 328 S C 1.868 176.468 174.600 0.000 0.000 1.030 328 S CA 1.195 59.378 58.200 -0.028 0.000 1.002 328 S CB -0.461 62.714 63.200 -0.042 0.000 0.829 328 S HN 0.686 nan 8.310 nan 0.000 0.467 329 G N 1.474 110.282 108.800 0.013 0.000 2.418 329 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 329 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 329 G C 1.380 176.315 174.900 0.059 0.000 1.158 329 G CA 0.811 45.938 45.100 0.044 0.000 0.771 329 G HN 0.417 nan 8.290 nan 0.000 0.545 330 M N -0.432 119.215 119.600 0.079 0.000 2.175 330 M HA 0.047 4.527 4.480 -0.000 0.000 0.264 330 M C 2.478 178.804 176.300 0.043 0.000 1.063 330 M CA 0.824 56.171 55.300 0.077 0.000 1.119 330 M CB -0.310 32.355 32.600 0.107 0.000 1.377 330 M HN 0.144 nan 8.290 nan 0.000 0.415 331 L N -0.013 121.230 121.223 0.034 0.000 2.017 331 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 331 L C 2.593 179.469 176.870 0.011 0.000 1.073 331 L CA 1.777 56.630 54.840 0.022 0.000 0.745 331 L CB -0.809 41.258 42.059 0.015 0.000 0.894 331 L HN 0.262 nan 8.230 nan 0.000 0.432 332 R N -0.533 119.973 120.500 0.010 0.000 2.096 332 R HA -0.228 4.112 4.340 -0.000 0.000 0.240 332 R C 2.279 178.580 176.300 0.002 0.000 1.139 332 R CA 1.719 57.821 56.100 0.004 0.000 0.952 332 R CB -0.418 29.886 30.300 0.007 0.000 0.854 332 R HN 0.188 nan 8.270 nan 0.000 0.436 333 L N 1.717 122.945 121.223 0.008 0.000 2.017 333 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 333 L C 2.569 179.432 176.870 -0.011 0.000 1.073 333 L CA 2.047 56.888 54.840 0.001 0.000 0.745 333 L CB -0.571 41.494 42.059 0.010 0.000 0.894 333 L HN 0.304 nan 8.230 nan 0.000 0.432 334 R N -1.077 119.419 120.500 -0.007 0.000 2.276 334 R HA -0.058 4.282 4.340 -0.000 0.000 0.203 334 R C 1.631 177.908 176.300 -0.038 0.000 1.017 334 R CA 0.999 57.087 56.100 -0.021 0.000 1.010 334 R CB -0.477 29.822 30.300 -0.002 0.000 0.900 334 R HN 0.421 nan 8.270 nan 0.000 0.469 335 E N 1.268 121.452 120.200 -0.026 0.000 2.158 335 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 335 E C 1.923 178.502 176.600 -0.034 0.000 0.982 335 E CA 0.846 57.228 56.400 -0.030 0.000 0.823 335 E CB 0.104 29.793 29.700 -0.018 0.000 0.766 335 E HN 0.497 nan 8.360 nan 0.000 0.468 336 Q N 0.666 120.448 119.800 -0.030 0.000 2.079 336 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 336 Q C 2.359 178.331 176.000 -0.047 0.000 0.974 336 Q CA 0.801 56.585 55.803 -0.031 0.000 0.840 336 Q CB -0.028 28.696 28.738 -0.024 0.000 0.898 336 Q HN 0.280 nan 8.270 nan 0.000 0.430 337 L N 0.371 121.559 121.223 -0.058 0.000 2.012 337 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 337 L C 2.344 179.150 176.870 -0.105 0.000 1.073 337 L CA 1.407 56.195 54.840 -0.087 0.000 0.748 337 L CB -0.509 41.494 42.059 -0.093 0.000 0.891 337 L HN 0.263 nan 8.230 nan 0.000 0.431 338 A N -0.287 122.472 122.820 -0.102 0.000 1.908 338 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 338 A C 2.264 179.818 177.584 -0.049 0.000 1.181 338 A CA 1.813 53.792 52.037 -0.097 0.000 0.627 338 A CB -1.266 17.673 19.000 -0.101 0.000 0.818 338 A HN 0.548 nan 8.150 nan 0.000 0.445 339 G N -0.647 108.128 108.800 -0.042 0.000 2.414 339 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 339 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 339 G C 1.444 176.330 174.900 -0.023 0.000 1.188 339 G CA 1.251 46.337 45.100 -0.024 0.000 0.783 339 G HN 0.543 nan 8.290 nan 0.000 0.537 340 E N 0.382 120.559 120.200 -0.038 0.000 2.097 340 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 340 E C 2.510 179.081 176.600 -0.049 0.000 1.000 340 E CA 0.916 57.290 56.400 -0.044 0.000 0.804 340 E CB -0.433 29.231 29.700 -0.060 0.000 0.740 340 E HN 0.451 nan 8.360 nan 0.000 0.454 341 L N -0.209 120.972 121.223 -0.072 0.000 2.017 341 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 341 L C 2.819 179.734 176.870 0.076 0.000 1.073 341 L CA 1.669 56.464 54.840 -0.074 0.000 0.745 341 L CB -0.405 41.544 42.059 -0.182 0.000 0.894 341 L HN 0.132 nan 8.230 nan 0.000 0.432 342 R N 0.090 120.638 120.500 0.081 0.000 2.091 342 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 342 R C 1.889 178.223 176.300 0.056 0.000 1.136 342 R CA 1.962 58.114 56.100 0.086 0.000 0.959 342 R CB -0.181 30.144 30.300 0.042 0.000 0.856 342 R HN 0.365 nan 8.270 nan 0.000 0.437 343 D N 0.407 120.824 120.400 0.029 0.000 2.084 343 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 343 D C 1.844 178.159 176.300 0.026 0.000 0.990 343 D CA 1.112 55.124 54.000 0.019 0.000 0.826 343 D CB -0.187 40.617 40.800 0.006 0.000 0.971 343 D HN 0.183 nan 8.370 nan 0.000 0.453 344 L N 0.888 122.125 121.223 0.023 0.000 2.362 344 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 344 L C 2.269 179.173 176.870 0.057 0.000 1.134 344 L CA 1.044 55.899 54.840 0.025 0.000 0.807 344 L CB -0.475 41.582 42.059 -0.003 0.000 0.927 344 L HN 0.040 nan 8.230 nan 0.000 0.447 345 S N -2.325 113.432 115.700 0.095 0.000 2.497 345 S HA 0.297 4.767 4.470 -0.000 0.000 0.218 345 S C 1.652 176.295 174.600 0.071 0.000 1.023 345 S CA 0.290 58.565 58.200 0.126 0.000 0.913 345 S CB 0.268 63.617 63.200 0.249 0.000 0.800 345 S HN 0.380 nan 8.310 nan 0.000 0.505 346 G N 1.276 110.108 108.800 0.053 0.000 2.155 346 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 346 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 346 G C 0.125 175.037 174.900 0.021 0.000 0.983 346 G CA 0.550 45.668 45.100 0.030 0.000 0.676 346 G HN 1.705 nan 8.290 nan 0.000 0.528 347 S N -1.263 114.453 115.700 0.027 0.000 2.625 347 S HA 0.604 5.074 4.470 -0.000 0.000 0.271 347 S C -0.496 174.107 174.600 0.006 0.000 1.161 347 S CA -0.001 58.200 58.200 0.002 0.000 0.820 347 S CB 1.773 64.958 63.200 -0.024 0.000 1.137 347 S HN 0.435 nan 8.310 nan 0.000 0.470 348 D N -0.197 120.193 120.400 -0.016 0.000 2.889 348 D HA 0.139 4.779 4.640 -0.000 0.000 0.243 348 D C 0.995 177.262 176.300 -0.054 0.000 1.270 348 D CA -0.508 53.483 54.000 -0.014 0.000 0.838 348 D CB 0.073 40.865 40.800 -0.013 0.000 1.040 348 D HN 0.597 nan 8.370 nan 0.000 0.480 349 R N 0.225 120.639 120.500 -0.143 0.000 2.096 349 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 349 R C 0.583 176.725 176.300 -0.264 0.000 1.127 349 R CA 1.056 56.979 56.100 -0.297 0.000 0.968 349 R CB -0.151 29.813 30.300 -0.560 0.000 0.861 349 R HN 0.060 nan 8.270 nan 0.000 0.440 350 F N 0.299 120.281 119.950 0.053 0.000 2.676 350 F HA 0.295 4.822 4.527 -0.000 0.000 0.300 350 F C 1.812 177.368 175.800 -0.407 0.000 1.160 350 F CA 0.170 58.089 58.000 -0.136 0.000 1.401 350 F CB 0.087 38.975 39.000 -0.186 0.000 1.037 350 F HN 0.140 nan 8.300 nan 0.000 0.522 351 G N 0.933 109.698 108.800 -0.058 0.000 2.450 351 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 351 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 351 G C 1.650 176.450 174.900 -0.167 0.000 1.130 351 G CA 0.986 46.033 45.100 -0.089 0.000 0.760 351 G HN 0.519 nan 8.290 nan 0.000 0.557 352 F N 1.204 121.095 119.950 -0.097 0.000 2.184 352 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 352 F C 2.249 177.833 175.800 -0.359 0.000 1.076 352 F CA 1.005 58.851 58.000 -0.256 0.000 1.295 352 F CB -1.021 37.803 39.000 -0.294 0.000 1.026 352 F HN 0.014 nan 8.300 nan 0.000 0.494 353 V N 1.335 120.645 119.914 -1.007 0.000 2.287 353 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 353 V C 2.900 178.874 176.094 -0.200 0.000 1.053 353 V CA 2.175 64.132 62.300 -0.571 0.000 1.027 353 V CB -1.511 29.983 31.823 -0.548 0.000 0.646 353 V HN 0.607 nan 8.190 nan 0.000 0.447 354 A N -0.938 121.778 122.820 -0.172 0.000 2.119 354 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 354 A C 2.067 179.642 177.584 -0.015 0.000 1.152 354 A CA 1.135 53.132 52.037 -0.066 0.000 0.708 354 A CB -0.296 18.668 19.000 -0.061 0.000 0.805 354 A HN 0.648 nan 8.150 nan 0.000 0.460 355 E N -0.855 119.330 120.200 -0.026 0.000 2.250 355 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 355 E C 0.032 176.721 176.600 0.149 0.000 0.986 355 E CA -0.150 56.273 56.400 0.039 0.000 0.849 355 E CB -0.056 29.657 29.700 0.022 0.000 0.797 355 E HN 0.775 nan 8.360 nan 0.000 0.482 356 H N 0.611 119.757 119.070 0.126 0.000 2.852 356 H HA 0.170 4.726 4.556 0.000 0.000 0.362 356 H C 0.070 175.461 175.328 0.104 0.000 1.122 356 H CA -0.322 55.817 56.048 0.152 0.000 1.419 356 H CB 0.605 30.490 29.762 0.204 0.000 1.401 356 H HN -0.204 nan 8.280 nan 0.000 0.609 357 R N 1.400 122.036 120.500 0.226 0.000 2.532 357 R HA 0.466 4.806 4.340 -0.000 0.000 0.297 357 R C -0.095 176.253 176.300 0.080 0.000 0.984 357 R CA -0.222 55.961 56.100 0.138 0.000 0.884 357 R CB 1.730 32.113 30.300 0.138 0.000 1.182 357 R HN 1.047 nan 8.270 nan 0.000 0.442 358 G N 1.051 109.870 108.800 0.032 0.000 2.293 358 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.282 358 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.282 358 G C 0.013 174.790 174.900 -0.204 0.000 1.299 358 G CA -0.111 44.930 45.100 -0.098 0.000 1.018 358 G HN 0.483 nan 8.290 nan 0.000 0.478 359 M N -0.823 118.467 119.600 -0.517 0.000 2.486 359 M HA 0.440 4.920 4.480 -0.000 0.000 0.264 359 M C 0.041 175.900 176.300 -0.735 0.000 1.125 359 M CA 0.824 55.704 55.300 -0.700 0.000 1.144 359 M CB 0.124 32.052 32.600 -1.121 0.000 1.353 359 M HN 0.313 nan 8.290 nan 0.000 0.466 360 F N -1.003 118.860 119.950 -0.144 0.000 2.541 360 F HA 0.590 5.117 4.527 -0.000 0.000 0.331 360 F C 0.041 175.820 175.800 -0.035 0.000 1.057 360 F CA -0.953 57.002 58.000 -0.075 0.000 0.975 360 F CB 1.654 40.598 39.000 -0.092 0.000 1.246 360 F HN -0.284 nan 8.300 nan 0.000 0.484 361 S N 0.456 116.292 115.700 0.226 0.000 2.543 361 S HA 0.479 4.949 4.470 -0.000 0.000 0.273 361 S C -1.388 173.323 174.600 0.185 0.000 1.152 361 S CA -0.858 57.468 58.200 0.210 0.000 0.910 361 S CB 1.177 64.585 63.200 0.347 0.000 1.105 361 S HN 0.469 nan 8.310 nan 0.000 0.465 362 R N 3.080 123.655 120.500 0.125 0.000 2.229 362 R HA 0.345 4.685 4.340 -0.000 0.000 0.328 362 R C 0.244 176.707 176.300 0.272 0.000 1.009 362 R CA -0.578 55.548 56.100 0.044 0.000 0.864 362 R CB 1.042 31.128 30.300 -0.358 0.000 1.085 362 R HN 0.506 nan 8.270 nan 0.000 0.453 363 L N 1.669 123.042 121.223 0.250 0.000 2.376 363 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 363 L C 1.460 178.475 176.870 0.242 0.000 1.133 363 L CA 1.545 56.590 54.840 0.342 0.000 0.816 363 L CB -0.343 41.862 42.059 0.245 0.000 0.933 363 L HN 1.078 nan 8.230 nan 0.000 0.449 364 G N -1.370 107.545 108.800 0.192 0.000 2.147 364 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 364 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 364 G C 0.474 175.452 174.900 0.130 0.000 1.005 364 G CA 0.236 45.446 45.100 0.182 0.000 0.713 364 G HN 0.687 nan 8.290 nan 0.000 0.515 365 A N -0.092 122.801 122.820 0.122 0.000 2.286 365 A HA 0.883 5.203 4.320 -0.000 0.000 0.286 365 A C 0.948 178.575 177.584 0.071 0.000 1.097 365 A CA 0.784 52.879 52.037 0.096 0.000 0.821 365 A CB 0.519 19.573 19.000 0.090 0.000 1.076 365 A HN 1.725 nan 8.150 nan 0.000 0.490 366 T N -1.062 113.527 114.554 0.059 0.000 2.849 366 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 366 T C -2.055 172.667 174.700 0.037 0.000 1.004 366 T CA -1.310 60.817 62.100 0.046 0.000 1.021 366 T CB 0.736 69.628 68.868 0.040 0.000 1.013 366 T HN 0.292 nan 8.240 nan 0.000 0.527 367 P HA -0.068 nan 4.420 nan 0.000 0.218 367 P C 1.131 178.443 177.300 0.021 0.000 1.148 367 P CA 0.993 64.106 63.100 0.022 0.000 0.822 367 P CB 0.065 31.776 31.700 0.019 0.000 0.784 368 E N -0.378 119.837 120.200 0.025 0.000 2.028 368 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 368 E C 2.164 178.782 176.600 0.031 0.000 0.988 368 E CA 1.231 57.646 56.400 0.026 0.000 0.799 368 E CB -0.918 28.798 29.700 0.027 0.000 0.755 368 E HN 0.363 nan 8.360 nan 0.000 0.447 369 Q N 0.179 120.001 119.800 0.037 0.000 2.124 369 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 369 Q C 2.291 178.312 176.000 0.035 0.000 0.977 369 Q CA 1.358 57.187 55.803 0.043 0.000 0.850 369 Q CB -0.120 28.647 28.738 0.048 0.000 0.901 369 Q HN 0.143 nan 8.270 nan 0.000 0.429 370 V N 2.105 122.035 119.914 0.026 0.000 2.287 370 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 370 V C 2.338 178.429 176.094 -0.005 0.000 1.053 370 V CA 2.368 64.675 62.300 0.012 0.000 1.027 370 V CB -0.678 31.153 31.823 0.013 0.000 0.646 370 V HN 0.471 nan 8.190 nan 0.000 0.447 371 K N 0.515 120.914 120.400 -0.001 0.000 2.155 371 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 371 K C 2.216 178.814 176.600 -0.004 0.000 1.052 371 K CA 1.522 57.799 56.287 -0.017 0.000 0.948 371 K CB -0.264 32.233 32.500 -0.006 0.000 0.728 371 K HN 0.248 nan 8.250 nan 0.000 0.448 372 R N 1.013 121.530 120.500 0.029 0.000 2.092 372 R HA 0.059 4.399 4.340 -0.000 0.000 0.231 372 R C 2.047 178.425 176.300 0.130 0.000 1.119 372 R CA 1.341 57.479 56.100 0.063 0.000 0.970 372 R CB -0.215 30.133 30.300 0.079 0.000 0.864 372 R HN 0.314 nan 8.270 nan 0.000 0.440 373 I N 0.429 121.072 120.570 0.122 0.000 2.286 373 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 373 I C 2.503 178.699 176.117 0.132 0.000 1.104 373 I CA 1.054 62.471 61.300 0.196 0.000 1.397 373 I CB -0.344 37.679 38.000 0.037 0.000 1.072 373 I HN 0.195 nan 8.210 nan 0.000 0.417 374 K N 1.552 121.925 120.400 -0.045 0.000 1.985 374 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 374 K C 1.910 178.410 176.600 -0.167 0.000 1.047 374 K CA 1.862 57.998 56.287 -0.252 0.000 0.932 374 K CB -0.117 32.149 32.500 -0.391 0.000 0.716 374 K HN 0.324 nan 8.250 nan 0.000 0.439 375 E N 0.057 120.201 120.200 -0.093 0.000 2.150 375 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 375 E C 1.933 178.487 176.600 -0.077 0.000 0.985 375 E CA 1.088 57.450 56.400 -0.062 0.000 0.814 375 E CB 0.146 29.823 29.700 -0.040 0.000 0.752 375 E HN 0.420 nan 8.360 nan 0.000 0.466 376 E N -0.792 119.357 120.200 -0.085 0.000 2.166 376 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 376 E C 0.972 177.256 176.600 -0.527 0.000 0.967 376 E CA 0.457 56.668 56.400 -0.316 0.000 0.840 376 E CB 0.304 29.757 29.700 -0.411 0.000 0.795 376 E HN 0.205 nan 8.360 nan 0.000 0.470 377 F N -0.961 118.974 119.950 -0.025 0.000 2.706 377 F HA 0.326 4.853 4.527 -0.000 0.000 0.308 377 F C 1.356 177.163 175.800 0.012 0.000 1.095 377 F CA 0.329 58.325 58.000 -0.007 0.000 1.244 377 F CB 1.234 40.229 39.000 -0.009 0.000 1.063 377 F HN 0.022 nan 8.300 nan 0.000 0.582 378 G N 1.443 110.320 108.800 0.127 0.000 2.153 378 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 378 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 378 G C -0.081 174.957 174.900 0.229 0.000 0.994 378 G CA -0.100 45.092 45.100 0.154 0.000 0.698 378 G HN 0.199 nan 8.290 nan 0.000 0.521 379 I N 0.609 121.251 120.570 0.120 0.000 2.325 379 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 379 I C -0.074 176.057 176.117 0.024 0.000 1.019 379 I CA -1.117 60.266 61.300 0.139 0.000 1.302 379 I CB 0.692 38.737 38.000 0.076 0.000 1.401 379 I HN 0.093 nan 8.210 nan 0.000 0.485 380 Y N 7.207 127.556 120.300 0.081 0.000 2.353 380 Y HA 0.596 5.146 4.550 -0.000 0.000 0.340 380 Y C 0.208 176.098 175.900 -0.016 0.000 0.972 380 Y CA -0.476 57.646 58.100 0.037 0.000 1.157 380 Y CB 0.812 39.275 38.460 0.005 0.000 1.157 380 Y HN 0.449 nan 8.280 nan 0.000 0.495 381 M N 1.500 121.154 119.600 0.090 0.000 2.819 381 M HA 0.660 5.140 4.480 -0.000 0.000 0.300 381 M C -0.806 175.523 176.300 0.049 0.000 1.237 381 M CA -1.404 53.932 55.300 0.059 0.000 0.813 381 M CB 1.231 33.855 32.600 0.040 0.000 1.755 381 M HN 0.085 nan 8.290 nan 0.000 0.484 382 V N 1.254 121.183 119.914 0.026 0.000 2.732 382 V HA 0.205 4.325 4.120 -0.000 0.000 0.297 382 V C 1.424 177.521 176.094 0.004 0.000 1.060 382 V CA 0.469 62.771 62.300 0.004 0.000 1.038 382 V CB 1.072 32.876 31.823 -0.033 0.000 1.003 382 V HN 1.102 nan 8.190 nan 0.000 0.481 383 G N 2.490 111.291 108.800 0.001 0.000 2.545 383 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.222 383 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.222 383 G C 0.915 175.816 174.900 0.001 0.000 1.126 383 G CA 1.092 46.194 45.100 0.003 0.000 0.754 383 G HN 0.954 nan 8.290 nan 0.000 0.583 384 D N -0.046 120.346 120.400 -0.013 0.000 2.338 384 D HA -0.001 4.639 4.640 -0.000 0.000 0.239 384 D C 1.317 177.611 176.300 -0.011 0.000 1.095 384 D CA 1.029 55.019 54.000 -0.017 0.000 0.888 384 D CB -0.681 40.092 40.800 -0.045 0.000 0.899 384 D HN 0.655 nan 8.370 nan 0.000 0.525 385 S N -1.403 114.302 115.700 0.008 0.000 3.593 385 S HA -0.303 4.167 4.470 -0.000 0.000 0.301 385 S C 0.267 174.890 174.600 0.038 0.000 1.209 385 S CA 0.348 58.567 58.200 0.032 0.000 0.878 385 S CB -2.571 60.664 63.200 0.058 0.000 1.000 385 S HN 0.681 nan 8.310 nan 0.000 0.578 386 R N 1.505 122.012 120.500 0.011 0.000 2.267 386 R HA 0.629 4.969 4.340 -0.000 0.000 0.319 386 R C 0.514 176.866 176.300 0.086 0.000 1.067 386 R CA -0.126 55.989 56.100 0.027 0.000 0.936 386 R CB 0.222 30.490 30.300 -0.054 0.000 1.006 386 R HN 0.738 nan 8.270 nan 0.000 0.452 387 I N 1.282 121.938 120.570 0.144 0.000 2.530 387 I HA 0.403 4.573 4.170 -0.000 0.000 0.297 387 I C -0.745 175.499 176.117 0.213 0.000 1.011 387 I CA -1.040 60.349 61.300 0.147 0.000 1.107 387 I CB 2.027 40.087 38.000 0.101 0.000 1.285 387 I HN 0.414 nan 8.210 nan 0.000 0.436 388 N N 5.383 124.186 118.700 0.171 0.000 2.500 388 N HA 0.206 4.946 4.740 -0.000 0.000 0.236 388 N C 0.673 176.169 175.510 -0.024 0.000 1.022 388 N CA -0.555 52.530 53.050 0.059 0.000 0.935 388 N CB 1.214 39.746 38.487 0.075 0.000 1.147 388 N HN 0.880 nan 8.380 nan 0.000 0.512 389 I N 2.378 122.919 120.570 -0.049 0.000 2.567 389 I HA -0.045 4.125 4.170 -0.000 0.000 0.257 389 I C 1.707 177.802 176.117 -0.038 0.000 1.184 389 I CA 1.193 62.476 61.300 -0.028 0.000 1.451 389 I CB -0.274 37.719 38.000 -0.011 0.000 1.089 389 I HN 0.380 nan 8.210 nan 0.000 0.441 390 A N 1.350 124.129 122.820 -0.067 0.000 2.067 390 A HA 0.161 4.481 4.320 -0.000 0.000 0.219 390 A C 2.292 179.809 177.584 -0.112 0.000 1.158 390 A CA 1.080 53.077 52.037 -0.067 0.000 0.661 390 A CB -1.447 17.509 19.000 -0.074 0.000 0.801 390 A HN 0.554 nan 8.150 nan 0.000 0.452 391 G N -1.216 107.529 108.800 -0.090 0.000 2.920 391 G HA2 0.341 4.301 3.960 -0.000 0.000 0.208 391 G HA3 0.341 4.301 3.960 -0.000 0.000 0.208 391 G C 0.436 175.304 174.900 -0.053 0.000 1.159 391 G CA -0.004 45.047 45.100 -0.083 0.000 0.784 391 G HN 0.307 nan 8.290 nan 0.000 0.535 392 L N 0.017 121.215 121.223 -0.042 0.000 2.472 392 L HA 0.633 4.973 4.340 -0.000 0.000 0.256 392 L C -0.104 176.749 176.870 -0.028 0.000 1.111 392 L CA -0.685 54.139 54.840 -0.026 0.000 0.800 392 L CB 1.516 43.562 42.059 -0.021 0.000 1.286 392 L HN 0.204 nan 8.230 nan 0.000 0.479 393 N N -1.646 117.042 118.700 -0.019 0.000 2.815 393 N HA 0.113 4.853 4.740 -0.000 0.000 0.253 393 N C -0.176 175.327 175.510 -0.011 0.000 1.202 393 N CA -0.160 52.880 53.050 -0.015 0.000 0.925 393 N CB 0.906 39.384 38.487 -0.016 0.000 1.622 393 N HN 0.628 nan 8.380 nan 0.000 0.497 394 D N 1.246 121.641 120.400 -0.008 0.000 2.315 394 D HA -0.192 4.448 4.640 -0.000 0.000 0.211 394 D C 0.263 176.559 176.300 -0.007 0.000 0.977 394 D CA 1.237 55.231 54.000 -0.008 0.000 0.894 394 D CB -0.061 40.736 40.800 -0.005 0.000 0.910 394 D HN 0.651 nan 8.370 nan 0.000 0.490 395 N N 0.024 118.722 118.700 -0.004 0.000 2.336 395 N HA -0.041 4.699 4.740 -0.000 0.000 0.177 395 N C 1.574 177.085 175.510 0.002 0.000 1.018 395 N CA 0.878 53.928 53.050 0.000 0.000 0.878 395 N CB 0.110 38.599 38.487 0.004 0.000 0.997 395 N HN 0.028 nan 8.380 nan 0.000 0.433 396 T N 1.312 115.866 114.554 -0.000 0.000 2.904 396 T HA 0.066 4.416 4.350 -0.000 0.000 0.267 396 T C 1.934 176.626 174.700 -0.013 0.000 1.059 396 T CA 0.507 62.608 62.100 0.002 0.000 1.137 396 T CB -0.130 68.740 68.868 0.003 0.000 0.879 396 T HN 0.148 nan 8.240 nan 0.000 0.467 397 I N 1.584 122.140 120.570 -0.022 0.000 2.113 397 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 397 I C -0.680 175.406 176.117 -0.051 0.000 1.064 397 I CA 1.629 62.905 61.300 -0.040 0.000 1.320 397 I CB -1.385 36.593 38.000 -0.038 0.000 1.028 397 I HN 0.194 nan 8.210 nan 0.000 0.406 398 P HA -0.158 nan 4.420 nan 0.000 0.215 398 P C 1.867 179.139 177.300 -0.045 0.000 1.157 398 P CA 1.600 64.677 63.100 -0.039 0.000 0.868 398 P CB -0.028 31.661 31.700 -0.018 0.000 0.788 399 I N -1.520 119.036 120.570 -0.024 0.000 2.208 399 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 399 I C 2.261 178.333 176.117 -0.075 0.000 1.097 399 I CA 1.121 62.413 61.300 -0.013 0.000 1.363 399 I CB -0.728 37.291 38.000 0.032 0.000 1.051 399 I HN -0.053 nan 8.210 nan 0.000 0.413 400 L N 1.312 122.487 121.223 -0.081 0.000 2.017 400 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 400 L C 2.585 179.336 176.870 -0.198 0.000 1.073 400 L CA 2.131 56.896 54.840 -0.125 0.000 0.745 400 L CB -0.780 41.226 42.059 -0.087 0.000 0.894 400 L HN 0.177 nan 8.230 nan 0.000 0.432 401 A N -0.228 122.484 122.820 -0.179 0.000 1.908 401 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 401 A C 2.389 179.837 177.584 -0.227 0.000 1.181 401 A CA 1.917 53.821 52.037 -0.221 0.000 0.627 401 A CB -0.574 18.326 19.000 -0.167 0.000 0.818 401 A HN 0.539 nan 8.150 nan 0.000 0.445 402 R N -0.449 119.938 120.500 -0.189 0.000 2.083 402 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 402 R C 2.527 178.600 176.300 -0.378 0.000 1.137 402 R CA 1.311 57.299 56.100 -0.185 0.000 0.951 402 R CB -0.582 29.664 30.300 -0.090 0.000 0.851 402 R HN 0.510 nan 8.270 nan 0.000 0.434 403 A N 1.482 123.929 122.820 -0.623 0.000 1.865 403 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 403 A C 2.215 179.462 177.584 -0.562 0.000 1.191 403 A CA 1.480 52.861 52.037 -1.093 0.000 0.623 403 A CB -0.623 17.828 19.000 -0.915 0.000 0.826 403 A HN 0.200 nan 8.150 nan 0.000 0.444 404 I N -0.132 120.220 120.570 -0.363 0.000 2.127 404 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 404 I C 2.268 178.290 176.117 -0.159 0.000 1.075 404 I CA 1.096 62.247 61.300 -0.248 0.000 1.334 404 I CB -0.384 37.403 38.000 -0.354 0.000 1.040 404 I HN 0.250 nan 8.210 nan 0.000 0.405 405 I N 0.674 121.142 120.570 -0.170 0.000 2.179 405 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 405 I C 2.542 178.651 176.117 -0.014 0.000 1.088 405 I CA 1.662 62.939 61.300 -0.038 0.000 1.357 405 I CB -1.281 36.699 38.000 -0.034 0.000 1.051 405 I HN 0.374 nan 8.210 nan 0.000 0.409 406 E N 0.539 120.698 120.200 -0.068 0.000 2.077 406 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 406 E C 2.205 178.830 176.600 0.041 0.000 0.989 406 E CA 0.965 57.368 56.400 0.006 0.000 0.800 406 E CB 0.083 29.809 29.700 0.043 0.000 0.746 406 E HN 0.184 nan 8.360 nan 0.000 0.452 407 V N 0.303 120.212 119.914 -0.008 0.000 3.444 407 V HA 0.044 4.164 4.120 -0.000 0.000 0.271 407 V C 0.764 176.890 176.094 0.053 0.000 1.188 407 V CA 1.136 63.464 62.300 0.047 0.000 1.168 407 V CB -0.713 31.124 31.823 0.024 0.000 0.810 407 V HN 0.550 nan 8.190 nan 0.000 0.500 408 G N 0.493 109.326 108.800 0.056 0.000 2.351 408 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.297 408 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.297 408 G C -0.063 174.900 174.900 0.105 0.000 1.054 408 G CA 0.360 45.508 45.100 0.081 0.000 1.123 408 G HN 0.555 nan 8.290 nan 0.000 0.512 409 V N 0.000 120.005 119.914 0.152 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.421 62.300 0.201 0.000 1.235 409 V CB 0.000 31.962 31.823 0.231 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556