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 2e6k_1_C DATA FIRST_RESID 5 DATA SEQUENCE RDLETLSVNA IRFLAIDAVE KARSGHPGXP XGXAPLAYLL FREVXRHNPL DATA SEQUENCE DPDWPDRDRF VLSAGHGSXL LYAVLHLTGY DLPLEELKSF RQWGSKTPGH DATA SEQUENCE PERGHTPGVE VTTGPLGQGI STAVGLALAE RKLAAEFNRP GHVVVDHYTY DATA SEQUENCE VLASDGDLXE GVSGEAASLA GHWGLSKLIV FWDDNRISID GPTDLAFTED DATA SEQUENCE VLARYRAYGW QTLRVEDVND LEALRKAIKL AKLDERPTLI AVRSHIGFGS DATA SEQUENCE PKQDSAKAHG EPLGPEAVEA TRRNLGWPYP PFVVPEEVYR HXDXREKGRA DATA SEQUENCE WQEAWEKALE AYARAYPDLH QELXRRLRGE LPPLPEEPPS FDKPIATRAA DATA SEQUENCE SGRALNLLAP RLPELLGGSA DLTPSNNTKA EGXEDFSRAN PLGRYLHFGV DATA SEQUENCE REHAXGAILN GLNLHGGYRA YGGTFLVFSD YXRPAIRLAA LXGVPTVFVF DATA SEQUENCE THDSIALGED GPTHQPVEHL XSLRAXPNLF VIRPADAYET FYAWLVALRR DATA SEQUENCE KEGPTALVLT RQAVPLLSPE KARGLLRGGY VLEDVEEPQG VLVATGSEVH DATA SEQUENCE LALRAQALLR EKGVRVRVVS LPSFELFAAQ PEAYRKEVLP PGLPVVAVEA DATA SEQUENCE GASLGWERYA HKVVALDRFG ASAPYPEVYE RLGFTPERVA EAFLSLV 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 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.303 176.300 0.005 0.000 0.893 5 R CA 0.000 56.108 56.100 0.013 0.000 0.921 5 R CB 0.000 30.303 30.300 0.005 0.000 0.687 6 D N 1.168 121.574 120.400 0.011 0.000 2.343 6 D HA 0.116 4.757 4.640 0.001 0.000 0.255 6 D C 0.964 177.252 176.300 -0.020 0.000 1.187 6 D CA -0.361 53.636 54.000 -0.005 0.000 0.875 6 D CB 1.517 42.318 40.800 0.003 0.000 1.136 6 D HN 0.107 nan 8.370 nan 0.000 0.469 7 L N 4.872 126.060 121.223 -0.059 0.000 2.201 7 L HA -0.097 4.244 4.340 0.001 0.000 0.212 7 L C 1.790 178.615 176.870 -0.074 0.000 1.105 7 L CA 1.690 56.466 54.840 -0.107 0.000 0.775 7 L CB -0.309 41.582 42.059 -0.281 0.000 0.913 7 L HN 0.490 nan 8.230 nan 0.000 0.440 8 E N -1.442 118.712 120.200 -0.077 0.000 2.046 8 E HA -0.143 4.207 4.350 0.001 0.000 0.190 8 E C 1.912 178.317 176.600 -0.326 0.000 0.982 8 E CA 1.567 57.827 56.400 -0.235 0.000 0.800 8 E CB -0.198 29.432 29.700 -0.116 0.000 0.756 8 E HN 0.460 nan 8.360 nan 0.000 0.449 9 T N 1.870 116.340 114.554 -0.140 0.000 2.746 9 T HA -0.148 4.202 4.350 0.001 0.000 0.267 9 T C 1.871 176.563 174.700 -0.014 0.000 1.039 9 T CA 0.742 62.798 62.100 -0.074 0.000 1.142 9 T CB -0.245 68.629 68.868 0.010 0.000 0.866 9 T HN -0.011 nan 8.240 nan 0.000 0.444 10 L N 1.194 122.443 121.223 0.043 0.000 2.012 10 L HA -0.087 4.253 4.340 0.001 0.000 0.210 10 L C 2.603 179.551 176.870 0.129 0.000 1.073 10 L CA 1.712 56.659 54.840 0.179 0.000 0.748 10 L CB -0.825 41.310 42.059 0.126 0.000 0.891 10 L HN 0.130 nan 8.230 nan 0.000 0.431 11 S N -1.521 114.175 115.700 -0.007 0.000 2.382 11 S HA -0.144 4.326 4.470 0.001 0.000 0.228 11 S C 1.975 176.486 174.600 -0.150 0.000 1.027 11 S CA 1.246 59.422 58.200 -0.040 0.000 0.991 11 S CB -0.324 62.886 63.200 0.017 0.000 0.823 11 S HN 0.305 nan 8.310 nan 0.000 0.469 12 V N 3.044 122.793 119.914 -0.276 0.000 2.295 12 V HA -0.174 3.946 4.120 0.001 0.000 0.246 12 V C 2.164 178.144 176.094 -0.191 0.000 1.049 12 V CA 1.560 63.711 62.300 -0.248 0.000 1.024 12 V CB -0.703 30.960 31.823 -0.268 0.000 0.648 12 V HN 0.453 nan 8.190 nan 0.000 0.447 13 N N 0.410 119.010 118.700 -0.167 0.000 2.223 13 N HA -0.129 4.611 4.740 0.001 0.000 0.185 13 N C 1.880 177.026 175.510 -0.607 0.000 1.016 13 N CA 1.557 54.440 53.050 -0.279 0.000 0.863 13 N CB -0.403 37.970 38.487 -0.190 0.000 0.983 13 N HN 0.505 nan 8.380 nan 0.000 0.429 14 A N 1.375 123.911 122.820 -0.473 0.000 1.908 14 A HA -0.100 4.220 4.320 0.001 0.000 0.218 14 A C 2.313 179.770 177.584 -0.212 0.000 1.181 14 A CA 0.932 52.790 52.037 -0.299 0.000 0.627 14 A CB -0.573 18.418 19.000 -0.014 0.000 0.818 14 A HN 0.212 nan 8.150 nan 0.000 0.445 15 I N -1.233 119.223 120.570 -0.190 0.000 2.202 15 I HA -0.252 3.918 4.170 0.001 0.000 0.242 15 I C 2.811 178.796 176.117 -0.220 0.000 1.091 15 I CA 1.354 62.552 61.300 -0.169 0.000 1.368 15 I CB -0.425 37.484 38.000 -0.151 0.000 1.058 15 I HN 0.306 nan 8.210 nan 0.000 0.410 16 R N 0.464 120.800 120.500 -0.273 0.000 2.082 16 R HA -0.181 4.159 4.340 0.001 0.000 0.234 16 R C 2.305 178.320 176.300 -0.474 0.000 1.136 16 R CA 1.868 57.747 56.100 -0.368 0.000 0.935 16 R CB -0.548 29.498 30.300 -0.424 0.000 0.842 16 R HN 0.182 nan 8.270 nan 0.000 0.430 17 F N 0.762 120.429 119.950 -0.472 0.000 2.293 17 F HA -0.109 4.419 4.527 0.001 0.000 0.300 17 F C 2.177 177.793 175.800 -0.308 0.000 1.086 17 F CA 0.911 58.656 58.000 -0.425 0.000 1.375 17 F CB -0.246 38.347 39.000 -0.680 0.000 1.045 17 F HN -0.010 nan 8.300 nan 0.000 0.516 18 L N -0.714 120.434 121.223 -0.125 0.000 2.046 18 L HA -0.217 4.123 4.340 0.001 0.000 0.208 18 L C 2.687 179.437 176.870 -0.200 0.000 1.077 18 L CA 1.135 55.901 54.840 -0.124 0.000 0.747 18 L CB -0.824 41.209 42.059 -0.044 0.000 0.896 18 L HN 0.169 nan 8.230 nan 0.000 0.432 19 A N 0.346 123.032 122.820 -0.223 0.000 1.855 19 A HA -0.165 4.156 4.320 0.001 0.000 0.215 19 A C 2.158 179.599 177.584 -0.237 0.000 1.191 19 A CA 1.308 53.194 52.037 -0.252 0.000 0.613 19 A CB -0.615 18.235 19.000 -0.249 0.000 0.829 19 A HN 0.298 nan 8.150 nan 0.000 0.442 20 I N 0.269 120.681 120.570 -0.264 0.000 2.091 20 I HA -0.313 3.858 4.170 0.001 0.000 0.239 20 I C 2.003 178.015 176.117 -0.174 0.000 1.061 20 I CA 1.849 63.011 61.300 -0.229 0.000 1.317 20 I CB -0.629 37.171 38.000 -0.333 0.000 1.031 20 I HN 0.312 nan 8.210 nan 0.000 0.401 21 D N 1.050 121.304 120.400 -0.244 0.000 2.117 21 D HA -0.160 4.480 4.640 0.001 0.000 0.197 21 D C 2.240 178.346 176.300 -0.323 0.000 0.987 21 D CA 1.645 55.424 54.000 -0.367 0.000 0.829 21 D CB -0.251 40.115 40.800 -0.724 0.000 0.961 21 D HN 0.399 nan 8.370 nan 0.000 0.460 22 A N 0.771 123.435 122.820 -0.260 0.000 1.933 22 A HA -0.133 4.187 4.320 0.001 0.000 0.218 22 A C 2.548 180.285 177.584 0.255 0.000 1.175 22 A CA 1.170 53.302 52.037 0.158 0.000 0.628 22 A CB -0.648 18.367 19.000 0.024 0.000 0.814 22 A HN 0.158 nan 8.150 nan 0.000 0.444 23 V N -0.331 119.655 119.914 0.121 0.000 2.453 23 V HA -0.161 3.960 4.120 0.001 0.000 0.247 23 V C 2.547 178.735 176.094 0.158 0.000 1.048 23 V CA 2.181 64.617 62.300 0.227 0.000 1.049 23 V CB -0.494 31.398 31.823 0.116 0.000 0.672 23 V HN 0.666 nan 8.190 nan 0.000 0.457 24 E N 0.885 121.136 120.200 0.085 0.000 2.077 24 E HA -0.237 4.113 4.350 0.001 0.000 0.193 24 E C 2.206 178.882 176.600 0.127 0.000 0.989 24 E CA 1.629 58.074 56.400 0.076 0.000 0.800 24 E CB -0.268 29.455 29.700 0.037 0.000 0.746 24 E HN 0.531 nan 8.360 nan 0.000 0.452 25 K N -0.731 119.788 120.400 0.198 0.000 2.097 25 K HA -0.011 4.309 4.320 0.001 0.000 0.205 25 K C 1.737 178.452 176.600 0.192 0.000 1.050 25 K CA 1.162 57.594 56.287 0.242 0.000 0.938 25 K CB -0.152 32.601 32.500 0.422 0.000 0.718 25 K HN 0.159 nan 8.250 nan 0.000 0.442 26 A N 0.506 123.455 122.820 0.216 0.000 2.218 26 A HA 0.077 4.397 4.320 0.001 0.000 0.209 26 A C 0.368 178.009 177.584 0.095 0.000 1.168 26 A CA 0.124 52.252 52.037 0.151 0.000 0.804 26 A CB 0.002 19.104 19.000 0.171 0.000 0.834 26 A HN 0.333 nan 8.150 nan 0.000 0.482 27 R N -0.896 119.664 120.500 0.100 0.000 3.847 27 R HA -0.149 4.191 4.340 0.001 0.000 0.304 27 R C -0.007 176.317 176.300 0.039 0.000 1.203 27 R CA 1.188 57.326 56.100 0.062 0.000 0.835 27 R CB -2.733 27.596 30.300 0.049 0.000 1.253 27 R HN 0.693 nan 8.270 nan 0.000 0.516 28 S N -1.956 113.774 115.700 0.050 0.000 2.550 28 S HA 0.742 5.213 4.470 0.001 0.000 0.270 28 S C -0.232 174.399 174.600 0.051 0.000 1.145 28 S CA 0.805 59.009 58.200 0.006 0.000 0.852 28 S CB 2.225 65.404 63.200 -0.035 0.000 1.119 28 S HN 1.053 nan 8.310 nan 0.000 0.465 29 G N 2.390 111.189 108.800 -0.001 0.000 2.384 29 G HA2 0.183 4.143 3.960 0.001 0.000 0.668 29 G HA3 0.183 4.143 3.960 0.001 0.000 0.668 29 G C -2.054 172.798 174.900 -0.081 0.000 1.280 29 G CA -0.842 44.347 45.100 0.149 0.000 0.992 29 G HN 1.009 nan 8.290 nan 0.000 0.512 30 H N 1.106 120.222 119.070 0.077 0.000 2.638 30 H HA 0.559 5.116 4.556 0.001 0.000 0.317 30 H C -1.472 173.811 175.328 -0.076 0.000 1.006 30 H CA -1.336 54.681 56.048 -0.053 0.000 1.222 30 H CB 2.087 31.776 29.762 -0.121 0.000 1.419 30 H HN 0.381 nan 8.280 nan 0.000 0.489 31 P HA 0.093 nan 4.420 nan 0.000 0.236 31 P C 1.029 178.292 177.300 -0.062 0.000 1.174 31 P CA 0.267 63.331 63.100 -0.060 0.000 0.840 31 P CB 0.687 32.343 31.700 -0.075 0.000 0.947 39 P HA -0.138 nan 4.420 nan 0.000 0.215 39 P C 1.654 178.928 177.300 -0.043 0.000 1.153 39 P CA 1.530 64.580 63.100 -0.084 0.000 0.853 39 P CB -0.171 31.443 31.700 -0.142 0.000 0.788 40 L N 0.079 121.220 121.223 -0.137 0.000 2.083 40 L HA -0.036 4.304 4.340 0.001 0.000 0.209 40 L C 2.483 179.212 176.870 -0.235 0.000 1.083 40 L CA 1.998 56.702 54.840 -0.228 0.000 0.752 40 L CB -1.623 40.259 42.059 -0.295 0.000 0.899 40 L HN -0.086 nan 8.230 nan 0.000 0.433 41 A N -1.087 121.630 122.820 -0.172 0.000 1.883 41 A HA -0.290 4.030 4.320 0.001 0.000 0.217 41 A C 2.286 179.830 177.584 -0.068 0.000 1.186 41 A CA 1.871 53.809 52.037 -0.166 0.000 0.624 41 A CB -1.286 17.606 19.000 -0.180 0.000 0.822 41 A HN 0.646 nan 8.150 nan 0.000 0.444 42 Y N 0.739 120.948 120.300 -0.151 0.000 2.030 42 Y HA -0.262 4.288 4.550 0.001 0.000 0.274 42 Y C 2.047 177.896 175.900 -0.085 0.000 1.153 42 Y CA 2.063 60.101 58.100 -0.103 0.000 1.115 42 Y CB -0.659 37.745 38.460 -0.093 0.000 0.969 42 Y HN 0.222 nan 8.280 nan 0.000 0.488 43 L N -0.464 120.618 121.223 -0.236 0.000 2.013 43 L HA -0.304 4.036 4.340 0.001 0.000 0.212 43 L C 2.621 179.284 176.870 -0.345 0.000 1.073 43 L CA 1.725 56.367 54.840 -0.330 0.000 0.753 43 L CB -0.902 41.045 42.059 -0.186 0.000 0.890 43 L HN 0.349 nan 8.230 nan 0.000 0.432 44 L N -1.298 119.699 121.223 -0.377 0.000 1.989 44 L HA -0.238 4.103 4.340 0.001 0.000 0.211 44 L C 2.461 179.019 176.870 -0.520 0.000 1.071 44 L CA 1.573 56.085 54.840 -0.547 0.000 0.749 44 L CB -0.552 41.063 42.059 -0.739 0.000 0.890 44 L HN 0.132 nan 8.230 nan 0.000 0.431 45 F N -1.186 118.531 119.950 -0.389 0.000 2.615 45 F HA -0.003 4.524 4.527 0.001 0.000 0.297 45 F C 2.622 178.443 175.800 0.035 0.000 1.124 45 F CA 0.498 58.365 58.000 -0.222 0.000 1.451 45 F CB -0.244 38.602 39.000 -0.258 0.000 1.103 45 F HN -0.068 nan 8.300 nan 0.000 0.569 46 R N 0.974 121.443 120.500 -0.050 0.000 2.090 46 R HA -0.003 4.337 4.340 0.001 0.000 0.219 46 R C 1.412 177.648 176.300 -0.106 0.000 1.100 46 R CA 1.875 57.871 56.100 -0.174 0.000 0.991 46 R CB -0.059 29.860 30.300 -0.636 0.000 0.893 46 R HN 0.444 nan 8.270 nan 0.000 0.443 47 E N -1.635 118.481 120.200 -0.140 0.000 2.502 47 E HA 0.138 4.488 4.350 0.001 0.000 0.206 47 E C 0.746 177.318 176.600 -0.046 0.000 0.821 47 E CA -0.284 56.085 56.400 -0.050 0.000 1.354 47 E CB 0.023 29.671 29.700 -0.086 0.000 1.336 47 E HN -0.154 nan 8.360 nan 0.000 0.675 51 H N -0.516 118.644 119.070 0.151 0.000 2.930 51 H HA 0.514 5.071 4.556 0.001 0.000 0.371 51 H C -1.223 174.372 175.328 0.445 0.000 1.169 51 H CA -1.117 55.174 56.048 0.405 0.000 1.157 51 H CB 1.841 31.776 29.762 0.288 0.000 1.789 51 H HN 0.273 nan 8.280 nan 0.000 0.547 52 N N 3.298 122.180 118.700 0.304 0.000 2.511 52 N HA 0.238 4.979 4.740 0.001 0.000 0.249 52 N C -1.918 173.512 175.510 -0.132 0.000 0.971 52 N CA -2.807 50.246 53.050 0.006 0.000 0.938 52 N CB 1.602 40.033 38.487 -0.094 0.000 1.131 52 N HN 0.460 nan 8.380 nan 0.000 0.505 53 P HA -0.135 nan 4.420 nan 0.000 0.221 53 P C 0.973 178.024 177.300 -0.415 0.000 1.145 53 P CA 0.669 63.211 63.100 -0.930 0.000 0.795 53 P CB 0.402 31.584 31.700 -0.863 0.000 0.775 54 L N -0.611 120.478 121.223 -0.223 0.000 2.478 54 L HA 0.074 4.414 4.340 0.001 0.000 0.223 54 L C 0.659 177.496 176.870 -0.056 0.000 1.140 54 L CA 1.443 56.212 54.840 -0.118 0.000 0.842 54 L CB -1.297 40.699 42.059 -0.106 0.000 0.953 54 L HN 0.082 nan 8.230 nan 0.000 0.452 55 D N -1.241 119.139 120.400 -0.032 0.000 2.351 55 D HA 0.208 4.848 4.640 0.001 0.000 0.235 55 D C -2.164 174.215 176.300 0.132 0.000 1.331 55 D CA -1.285 52.745 54.000 0.050 0.000 0.959 55 D CB 1.604 42.434 40.800 0.049 0.000 1.432 55 D HN -0.165 nan 8.370 nan 0.000 0.544 56 P HA 0.046 nan 4.420 nan 0.000 0.230 56 P C 0.307 177.707 177.300 0.166 0.000 1.158 56 P CA 0.609 63.858 63.100 0.249 0.000 0.769 56 P CB 0.378 32.257 31.700 0.299 0.000 0.807 57 D N -2.381 118.093 120.400 0.124 0.000 2.325 57 D HA -0.021 4.620 4.640 0.001 0.000 0.225 57 D C 0.071 176.401 176.300 0.051 0.000 1.096 57 D CA -0.171 53.864 54.000 0.059 0.000 0.844 57 D CB -0.230 40.601 40.800 0.051 0.000 0.925 57 D HN 0.211 nan 8.370 nan 0.000 0.513 58 W N 3.264 124.493 121.300 -0.118 0.000 2.712 58 W HA 0.097 4.758 4.660 0.001 0.000 0.345 58 W C -1.794 174.480 176.519 -0.408 0.000 1.424 58 W CA -2.149 55.057 57.345 -0.231 0.000 1.375 58 W CB 0.358 29.707 29.460 -0.185 0.000 1.483 58 W HN -0.081 nan 8.180 nan 0.000 0.561 59 P HA -0.273 nan 4.420 nan 0.000 0.218 59 P C 0.810 177.365 177.300 -1.242 0.000 1.152 59 P CA 2.176 64.805 63.100 -0.785 0.000 0.857 59 P CB 0.260 31.652 31.700 -0.514 0.000 0.787 60 D N -1.800 117.366 120.400 -2.056 0.000 2.358 60 D HA 0.016 4.657 4.640 0.001 0.000 0.224 60 D C 0.574 175.624 176.300 -2.084 0.000 1.123 60 D CA -0.278 52.644 54.000 -1.796 0.000 0.833 60 D CB -0.165 39.687 40.800 -1.581 0.000 0.946 60 D HN 0.170 nan 8.370 nan 0.000 0.505 61 R N -0.075 119.141 120.500 -2.140 0.000 2.679 61 R HA 0.230 4.570 4.340 0.001 0.000 0.269 61 R C -0.337 175.572 176.300 -0.651 0.000 1.076 61 R CA -0.386 54.943 56.100 -1.286 0.000 1.160 61 R CB 0.572 30.610 30.300 -0.438 0.000 1.054 61 R HN -0.131 nan 8.270 nan 0.000 0.507 62 D N 1.224 121.479 120.400 -0.242 0.000 2.339 62 D HA 0.152 4.792 4.640 0.001 0.000 0.245 62 D C -0.126 176.189 176.300 0.024 0.000 1.115 62 D CA -0.006 54.003 54.000 0.015 0.000 0.917 62 D CB 0.889 41.798 40.800 0.183 0.000 1.192 62 D HN 0.365 nan 8.370 nan 0.000 0.428 63 R N 1.292 121.869 120.500 0.127 0.000 2.437 63 R HA 0.394 4.735 4.340 0.001 0.000 0.310 63 R C -0.678 175.768 176.300 0.243 0.000 0.955 63 R CA -0.799 55.372 56.100 0.119 0.000 0.851 63 R CB 1.433 31.770 30.300 0.061 0.000 1.161 63 R HN 0.323 nan 8.270 nan 0.000 0.446 64 F N 2.667 122.651 119.950 0.056 0.000 2.450 64 F HA 0.492 5.019 4.527 0.001 0.000 0.332 64 F C -0.865 174.997 175.800 0.104 0.000 1.093 64 F CA -0.897 57.155 58.000 0.087 0.000 1.003 64 F CB 1.553 40.520 39.000 -0.056 0.000 1.151 64 F HN 0.125 nan 8.300 nan 0.000 0.474 65 V N 7.237 126.636 119.914 -0.859 0.000 2.524 65 V HA 0.243 4.363 4.120 0.001 0.000 0.297 65 V C -0.899 174.695 176.094 -0.833 0.000 1.035 65 V CA -0.744 61.191 62.300 -0.609 0.000 0.867 65 V CB 1.454 33.140 31.823 -0.227 0.000 1.004 65 V HN 0.690 nan 8.190 nan 0.000 0.426 66 L N 4.345 125.212 121.223 -0.594 0.000 2.387 66 L HA 0.358 4.698 4.340 0.001 0.000 0.267 66 L C 1.557 178.347 176.870 -0.134 0.000 1.197 66 L CA 0.898 55.553 54.840 -0.308 0.000 1.070 66 L CB 0.647 42.652 42.059 -0.090 0.000 1.349 66 L HN 0.709 nan 8.230 nan 0.000 0.422 67 S N 2.962 118.601 115.700 -0.101 0.000 2.383 67 S HA -0.020 4.450 4.470 0.001 0.000 0.229 67 S C 1.299 175.920 174.600 0.036 0.000 1.030 67 S CA 0.985 59.174 58.200 -0.019 0.000 1.002 67 S CB -0.054 63.148 63.200 0.004 0.000 0.829 67 S HN 0.771 nan 8.310 nan 0.000 0.467 68 A N 0.903 123.748 122.820 0.042 0.000 3.056 68 A HA 0.545 4.866 4.320 0.001 0.000 0.274 68 A C 1.444 179.010 177.584 -0.031 0.000 1.661 68 A CA 0.211 52.309 52.037 0.101 0.000 1.363 68 A CB -0.780 18.274 19.000 0.089 0.000 1.139 68 A HN 0.487 nan 8.150 nan 0.000 0.598 69 G N 1.367 110.229 108.800 0.104 0.000 2.475 69 G HA2 -0.326 3.634 3.960 0.001 0.000 0.220 69 G HA3 -0.326 3.634 3.960 0.001 0.000 0.220 69 G C 1.396 176.297 174.900 0.003 0.000 1.125 69 G CA 1.312 46.475 45.100 0.106 0.000 0.755 69 G HN 0.975 nan 8.290 nan 0.000 0.565 70 H N 0.334 119.357 119.070 -0.078 0.000 2.426 70 H HA -0.044 4.513 4.556 0.001 0.000 0.298 70 H C 2.100 177.169 175.328 -0.432 0.000 1.107 70 H CA 0.988 56.706 56.048 -0.549 0.000 1.298 70 H CB -1.059 28.212 29.762 -0.818 0.000 1.377 70 H HN 0.243 nan 8.280 nan 0.000 0.519 71 G N 1.988 110.390 108.800 -0.663 0.000 3.530 71 G HA2 0.145 4.105 3.960 0.001 0.000 0.269 71 G HA3 0.145 4.105 3.960 0.001 0.000 0.269 71 G C 0.368 175.068 174.900 -0.334 0.000 1.314 71 G CA 0.140 44.983 45.100 -0.428 0.000 1.441 71 G HN 0.644 nan 8.290 nan 0.000 0.595 75 L N -0.681 120.347 121.223 -0.324 0.000 2.044 75 L HA -0.110 4.230 4.340 0.001 0.000 0.205 75 L C 2.263 178.972 176.870 -0.268 0.000 1.075 75 L CA 1.651 56.302 54.840 -0.315 0.000 0.747 75 L CB -0.222 41.699 42.059 -0.230 0.000 0.903 75 L HN 0.379 nan 8.230 nan 0.000 0.435 76 Y N 0.025 120.220 120.300 -0.176 0.000 2.165 76 Y HA -0.227 4.323 4.550 0.001 0.000 0.286 76 Y C 2.672 178.488 175.900 -0.139 0.000 1.155 76 Y CA 0.716 58.732 58.100 -0.139 0.000 1.164 76 Y CB -1.479 36.912 38.460 -0.114 0.000 0.978 76 Y HN 0.232 nan 8.280 nan 0.000 0.513 77 A N -0.240 122.564 122.820 -0.026 0.000 1.851 77 A HA -0.180 4.140 4.320 0.001 0.000 0.216 77 A C 2.558 180.089 177.584 -0.089 0.000 1.195 77 A CA 2.130 54.139 52.037 -0.047 0.000 0.622 77 A CB -1.378 17.550 19.000 -0.121 0.000 0.831 77 A HN 0.278 nan 8.150 nan 0.000 0.444 78 V N -0.051 119.699 119.914 -0.272 0.000 2.594 78 V HA -0.174 3.946 4.120 0.001 0.000 0.253 78 V C 2.380 178.226 176.094 -0.412 0.000 1.069 78 V CA 1.888 63.944 62.300 -0.407 0.000 1.082 78 V CB -0.440 30.934 31.823 -0.747 0.000 0.680 78 V HN 0.558 nan 8.190 nan 0.000 0.469 79 L N -0.529 120.441 121.223 -0.422 0.000 2.056 79 L HA -0.165 4.175 4.340 0.001 0.000 0.207 79 L C 2.508 179.432 176.870 0.089 0.000 1.078 79 L CA 2.058 56.693 54.840 -0.343 0.000 0.749 79 L CB -0.733 41.107 42.059 -0.366 0.000 0.901 79 L HN 0.519 nan 8.230 nan 0.000 0.433 80 H N 0.253 119.344 119.070 0.035 0.000 2.326 80 H HA -0.117 4.439 4.556 0.001 0.000 0.301 80 H C 2.143 177.579 175.328 0.180 0.000 1.081 80 H CA 1.544 57.673 56.048 0.136 0.000 1.334 80 H CB -0.060 29.774 29.762 0.121 0.000 1.385 80 H HN 0.134 nan 8.280 nan 0.000 0.504 81 L N 0.216 121.427 121.223 -0.020 0.000 2.265 81 L HA -0.101 4.239 4.340 0.001 0.000 0.215 81 L C 2.046 178.920 176.870 0.005 0.000 1.117 81 L CA 1.632 56.418 54.840 -0.089 0.000 0.782 81 L CB -0.447 41.558 42.059 -0.090 0.000 0.914 81 L HN 0.551 nan 8.230 nan 0.000 0.441 82 T N -4.267 110.349 114.554 0.102 0.000 3.107 82 T HA 0.265 4.615 4.350 0.001 0.000 0.249 82 T C 1.287 176.092 174.700 0.175 0.000 1.096 82 T CA 0.427 62.645 62.100 0.196 0.000 1.012 82 T CB 0.633 69.750 68.868 0.415 0.000 0.977 82 T HN 0.431 nan 8.240 nan 0.000 0.527 83 G N 0.177 109.060 108.800 0.138 0.000 2.138 83 G HA2 -0.191 3.770 3.960 0.001 0.000 0.193 83 G HA3 -0.191 3.770 3.960 0.001 0.000 0.193 83 G C -0.209 174.730 174.900 0.064 0.000 0.998 83 G CA -0.478 44.656 45.100 0.058 0.000 0.668 83 G HN 0.542 nan 8.290 nan 0.000 0.516 84 Y N 0.351 120.697 120.300 0.076 0.000 2.299 84 Y HA 0.421 4.971 4.550 0.001 0.000 0.335 84 Y C 1.121 177.078 175.900 0.095 0.000 1.287 84 Y CA 0.081 58.243 58.100 0.105 0.000 1.424 84 Y CB 0.584 39.124 38.460 0.134 0.000 1.326 84 Y HN 0.089 nan 8.280 nan 0.000 0.567 85 D N 1.971 122.516 120.400 0.242 0.000 2.767 85 D HA 0.129 4.770 4.640 0.001 0.000 0.231 85 D C -1.323 175.081 176.300 0.172 0.000 1.105 85 D CA 0.319 54.416 54.000 0.162 0.000 1.024 85 D CB -0.842 40.027 40.800 0.114 0.000 1.123 85 D HN 0.280 nan 8.370 nan 0.000 0.470 86 L N 3.266 124.617 121.223 0.214 0.000 2.480 86 L HA 0.409 4.750 4.340 0.001 0.000 0.253 86 L C -2.492 174.529 176.870 0.251 0.000 1.324 86 L CA -1.876 53.071 54.840 0.179 0.000 0.916 86 L CB 1.237 43.398 42.059 0.170 0.000 1.160 86 L HN -0.016 nan 8.230 nan 0.000 0.503 87 P HA 0.014 nan 4.420 nan 0.000 0.269 87 P C 1.299 178.567 177.300 -0.053 0.000 1.217 87 P CA -0.125 63.064 63.100 0.149 0.000 0.783 87 P CB 1.232 32.980 31.700 0.079 0.000 0.898 88 L N 0.462 121.600 121.223 -0.142 0.000 2.013 88 L HA -0.255 4.085 4.340 0.001 0.000 0.212 88 L C 2.575 179.335 176.870 -0.184 0.000 1.073 88 L CA 1.914 56.600 54.840 -0.256 0.000 0.753 88 L CB -0.716 41.288 42.059 -0.092 0.000 0.890 88 L HN 0.419 nan 8.230 nan 0.000 0.432 89 E N 0.013 120.139 120.200 -0.125 0.000 2.147 89 E HA -0.244 4.107 4.350 0.001 0.000 0.199 89 E C 2.065 178.597 176.600 -0.114 0.000 1.005 89 E CA 1.257 57.579 56.400 -0.130 0.000 0.810 89 E CB -0.004 29.653 29.700 -0.072 0.000 0.736 89 E HN 0.343 nan 8.360 nan 0.000 0.460 90 E N -0.242 119.908 120.200 -0.084 0.000 2.106 90 E HA -0.130 4.220 4.350 0.001 0.000 0.192 90 E C 2.239 178.802 176.600 -0.061 0.000 0.984 90 E CA 0.655 57.015 56.400 -0.066 0.000 0.806 90 E CB -0.193 29.470 29.700 -0.062 0.000 0.750 90 E HN 0.385 nan 8.360 nan 0.000 0.458 91 L N 0.480 121.654 121.223 -0.081 0.000 2.141 91 L HA -0.114 4.226 4.340 0.001 0.000 0.209 91 L C 2.116 179.031 176.870 0.075 0.000 1.094 91 L CA 1.023 55.866 54.840 0.006 0.000 0.763 91 L CB -0.302 41.770 42.059 0.020 0.000 0.908 91 L HN -0.000 nan 8.230 nan 0.000 0.437 92 K N -0.522 119.770 120.400 -0.180 0.000 2.525 92 K HA 0.037 4.358 4.320 0.001 0.000 0.192 92 K C 1.178 177.738 176.600 -0.066 0.000 1.029 92 K CA 0.258 56.329 56.287 -0.360 0.000 1.029 92 K CB 0.179 32.264 32.500 -0.692 0.000 0.814 92 K HN 0.083 nan 8.250 nan 0.000 0.503 93 S N 0.717 116.425 115.700 0.013 0.000 2.601 93 S HA 0.125 4.595 4.470 0.001 0.000 0.244 93 S C -0.332 174.343 174.600 0.126 0.000 1.001 93 S CA -0.661 57.569 58.200 0.050 0.000 0.984 93 S CB -0.116 63.090 63.200 0.010 0.000 0.842 93 S HN 0.226 nan 8.310 nan 0.000 0.474 94 F N 3.676 123.639 119.950 0.022 0.000 2.612 94 F HA 0.128 4.655 4.527 0.001 0.000 0.389 94 F C 1.185 177.024 175.800 0.065 0.000 1.055 94 F CA 0.111 58.141 58.000 0.050 0.000 1.232 94 F CB -0.217 38.853 39.000 0.117 0.000 1.044 94 F HN 0.236 nan 8.300 nan 0.000 0.560 95 R N 1.246 121.514 120.500 -0.387 0.000 3.951 95 R HA -0.207 4.133 4.340 0.001 0.000 0.352 95 R C -0.533 175.701 176.300 -0.110 0.000 1.178 95 R CA 0.851 56.728 56.100 -0.372 0.000 0.949 95 R CB -1.334 28.607 30.300 -0.598 0.000 1.452 95 R HN 0.605 nan 8.270 nan 0.000 0.540 96 Q N -0.175 119.612 119.800 -0.023 0.000 2.226 96 Q HA 0.158 4.498 4.340 0.001 0.000 0.256 96 Q C -0.101 175.966 176.000 0.112 0.000 0.962 96 Q CA -0.559 55.282 55.803 0.065 0.000 0.887 96 Q CB 0.659 29.442 28.738 0.074 0.000 1.282 96 Q HN 0.207 nan 8.270 nan 0.000 0.449 97 W N 1.941 123.236 121.300 -0.010 0.000 2.476 97 W HA 0.052 4.712 4.660 0.001 0.000 0.338 97 W C 0.706 177.233 176.519 0.013 0.000 1.328 97 W CA 2.146 59.493 57.345 0.003 0.000 1.300 97 W CB 0.047 29.510 29.460 0.005 0.000 1.252 97 W HN 0.929 nan 8.180 nan 0.000 0.568 98 G N 3.551 112.041 108.800 -0.516 0.000 2.184 98 G HA2 -0.339 3.622 3.960 0.001 0.000 0.264 98 G HA3 -0.339 3.622 3.960 0.001 0.000 0.264 98 G C 0.409 175.232 174.900 -0.128 0.000 0.975 98 G CA 0.572 45.451 45.100 -0.368 0.000 0.642 98 G HN 1.131 nan 8.290 nan 0.000 0.536 99 S N -0.577 115.079 115.700 -0.075 0.000 2.600 99 S HA 0.529 4.999 4.470 0.001 0.000 0.265 99 S C 0.977 175.546 174.600 -0.052 0.000 1.325 99 S CA 0.358 58.533 58.200 -0.041 0.000 1.002 99 S CB 1.202 64.391 63.200 -0.019 0.000 0.921 99 S HN 0.332 nan 8.310 nan 0.000 0.554 100 K N 0.621 120.983 120.400 -0.064 0.000 2.437 100 K HA 0.084 4.404 4.320 0.001 0.000 0.198 100 K C 0.215 176.673 176.600 -0.237 0.000 1.024 100 K CA 0.286 56.528 56.287 -0.076 0.000 1.148 100 K CB -0.127 32.342 32.500 -0.050 0.000 0.860 100 K HN 0.838 nan 8.250 nan 0.000 0.515 101 T N -0.131 114.274 114.554 -0.249 0.000 3.514 101 T HA 0.234 4.584 4.350 0.001 0.000 0.259 101 T C -2.548 172.162 174.700 0.017 0.000 1.466 101 T CA -2.005 59.814 62.100 -0.469 0.000 1.562 101 T CB 0.738 69.445 68.868 -0.267 0.000 0.924 101 T HN -0.105 nan 8.240 nan 0.000 0.678 102 P HA 0.203 nan 4.420 nan 0.000 0.272 102 P C 1.399 178.835 177.300 0.225 0.000 1.240 102 P CA -0.091 63.067 63.100 0.097 0.000 0.791 102 P CB 0.700 32.431 31.700 0.051 0.000 0.978 103 G N 0.599 109.392 108.800 -0.012 0.000 2.475 103 G HA2 -0.178 3.782 3.960 0.001 0.000 0.220 103 G HA3 -0.178 3.782 3.960 0.001 0.000 0.220 103 G C 0.092 174.912 174.900 -0.133 0.000 1.125 103 G CA 1.093 46.136 45.100 -0.095 0.000 0.755 103 G HN 0.647 nan 8.290 nan 0.000 0.565 104 H N -0.882 118.273 119.070 0.142 0.000 2.768 104 H HA 0.449 5.005 4.556 0.001 0.000 0.371 104 H C -2.523 172.876 175.328 0.117 0.000 1.151 104 H CA -1.866 54.237 56.048 0.092 0.000 1.165 104 H CB 1.892 31.682 29.762 0.047 0.000 1.722 104 H HN -0.114 nan 8.280 nan 0.000 0.543 105 P HA -0.019 nan 4.420 nan 0.000 0.264 105 P C -0.798 176.590 177.300 0.148 0.000 1.183 105 P CA 0.449 63.644 63.100 0.159 0.000 0.763 105 P CB 0.567 32.301 31.700 0.056 0.000 0.807 106 E N 2.064 122.357 120.200 0.155 0.000 2.255 106 E HA 0.184 4.534 4.350 0.001 0.000 0.256 106 E C -0.372 176.322 176.600 0.157 0.000 0.887 106 E CA -0.935 55.517 56.400 0.087 0.000 0.782 106 E CB 1.446 31.095 29.700 -0.085 0.000 1.214 106 E HN 0.284 nan 8.360 nan 0.000 0.417 107 R N 1.788 122.371 120.500 0.139 0.000 2.421 107 R HA 0.112 4.452 4.340 0.001 0.000 0.305 107 R C 0.640 177.050 176.300 0.184 0.000 1.039 107 R CA 1.639 57.825 56.100 0.143 0.000 1.003 107 R CB 0.147 30.509 30.300 0.103 0.000 0.959 107 R HN 0.911 nan 8.270 nan 0.000 0.427 108 G N 4.015 112.914 108.800 0.164 0.000 2.339 108 G HA2 -0.248 3.712 3.960 0.001 0.000 0.209 108 G HA3 -0.248 3.712 3.960 0.001 0.000 0.209 108 G C 0.578 175.516 174.900 0.063 0.000 1.015 108 G CA 0.195 45.362 45.100 0.112 0.000 0.635 108 G HN 0.710 nan 8.290 nan 0.000 0.499 109 H N 0.970 120.067 119.070 0.043 0.000 2.544 109 H HA 0.402 4.958 4.556 0.001 0.000 0.269 109 H C 0.564 175.911 175.328 0.031 0.000 0.970 109 H CA 1.654 57.716 56.048 0.024 0.000 1.219 109 H CB 0.645 30.413 29.762 0.010 0.000 1.421 109 H HN 0.360 nan 8.280 nan 0.000 0.555 110 T N 1.414 116.076 114.554 0.180 0.000 2.928 110 T HA 0.296 4.646 4.350 0.001 0.000 0.296 110 T C -2.758 172.034 174.700 0.155 0.000 1.000 110 T CA -1.551 60.633 62.100 0.141 0.000 0.989 110 T CB 2.474 71.441 68.868 0.165 0.000 1.005 110 T HN -0.178 nan 8.240 nan 0.000 0.442 111 P HA 0.328 nan 4.420 nan 0.000 0.268 111 P C 1.086 178.516 177.300 0.217 0.000 1.204 111 P CA 0.877 64.111 63.100 0.222 0.000 0.768 111 P CB 0.376 32.243 31.700 0.278 0.000 0.842 112 G N 1.141 110.090 108.800 0.248 0.000 2.176 112 G HA2 -0.203 3.758 3.960 0.001 0.000 0.253 112 G HA3 -0.203 3.758 3.960 0.001 0.000 0.253 112 G C -0.012 174.969 174.900 0.133 0.000 0.979 112 G CA -0.206 44.979 45.100 0.142 0.000 0.641 112 G HN 0.523 nan 8.290 nan 0.000 0.530 113 V N 1.769 121.773 119.914 0.151 0.000 2.348 113 V HA 0.358 4.479 4.120 0.001 0.000 0.270 113 V C 1.302 177.470 176.094 0.123 0.000 1.037 113 V CA -0.364 62.025 62.300 0.149 0.000 0.872 113 V CB 1.494 33.420 31.823 0.172 0.000 1.002 113 V HN 0.272 nan 8.190 nan 0.000 0.464 114 E N 3.131 123.394 120.200 0.105 0.000 2.046 114 E HA 0.014 4.365 4.350 0.001 0.000 0.190 114 E C 0.438 177.070 176.600 0.053 0.000 0.982 114 E CA 0.997 57.439 56.400 0.069 0.000 0.800 114 E CB 0.524 30.256 29.700 0.053 0.000 0.756 114 E HN 0.445 nan 8.360 nan 0.000 0.449 115 V N 0.719 120.659 119.914 0.043 0.000 2.888 115 V HA 0.208 4.328 4.120 0.001 0.000 0.309 115 V C -0.940 175.182 176.094 0.046 0.000 1.114 115 V CA -0.628 61.697 62.300 0.043 0.000 0.940 115 V CB 2.256 34.095 31.823 0.027 0.000 1.021 115 V HN 0.010 nan 8.190 nan 0.000 0.426 116 T N 5.135 119.723 114.554 0.057 0.000 2.817 116 T HA 0.422 4.772 4.350 0.001 0.000 0.295 116 T C 0.211 174.937 174.700 0.044 0.000 0.958 116 T CA 0.654 62.788 62.100 0.057 0.000 1.157 116 T CB 0.112 69.012 68.868 0.054 0.000 0.898 116 T HN 1.067 nan 8.240 nan 0.000 0.536 117 T N 0.143 114.727 114.554 0.051 0.000 2.910 117 T HA 0.859 5.209 4.350 0.001 0.000 0.287 117 T C 0.820 175.557 174.700 0.062 0.000 1.050 117 T CA -0.064 62.062 62.100 0.044 0.000 1.011 117 T CB 2.266 71.153 68.868 0.031 0.000 1.195 117 T HN 0.644 nan 8.240 nan 0.000 0.540 118 G N 0.233 109.060 108.800 0.045 0.000 4.241 118 G HA2 0.088 4.049 3.960 0.001 0.000 0.193 118 G HA3 0.088 4.049 3.960 0.001 0.000 0.193 118 G C -2.654 172.211 174.900 -0.057 0.000 1.789 118 G CA -0.535 44.541 45.100 -0.039 0.000 1.025 118 G HN 0.815 nan 8.290 nan 0.000 0.346 119 P HA 0.440 nan 4.420 nan 0.000 0.269 119 P C 0.303 177.599 177.300 -0.006 0.000 1.263 119 P CA -0.382 62.695 63.100 -0.038 0.000 0.813 119 P CB 0.492 32.178 31.700 -0.023 0.000 0.868 120 L N 3.027 124.248 121.223 -0.003 0.000 2.615 120 L HA -0.010 4.331 4.340 0.001 0.000 0.284 120 L C 1.850 178.709 176.870 -0.019 0.000 1.237 120 L CA 1.854 56.695 54.840 0.001 0.000 0.905 120 L CB -1.404 40.645 42.059 -0.017 0.000 1.149 120 L HN 0.852 nan 8.230 nan 0.000 0.499 121 G N 2.140 110.926 108.800 -0.023 0.000 2.254 121 G HA2 -0.261 3.699 3.960 0.001 0.000 0.225 121 G HA3 -0.261 3.699 3.960 0.001 0.000 0.225 121 G C 0.937 175.800 174.900 -0.061 0.000 1.003 121 G CA 0.182 45.248 45.100 -0.056 0.000 0.622 121 G HN 0.518 nan 8.290 nan 0.000 0.507 122 Q N 0.699 120.481 119.800 -0.029 0.000 2.046 122 Q HA 0.039 4.379 4.340 0.001 0.000 0.200 122 Q C 2.730 178.729 176.000 -0.002 0.000 0.975 122 Q CA 2.144 57.940 55.803 -0.013 0.000 0.836 122 Q CB -0.954 27.796 28.738 0.020 0.000 0.896 122 Q HN 0.647 nan 8.270 nan 0.000 0.428 123 G N 1.536 110.336 108.800 0.001 0.000 2.453 123 G HA2 -0.254 3.706 3.960 0.001 0.000 0.215 123 G HA3 -0.254 3.706 3.960 0.001 0.000 0.215 123 G C 1.535 176.437 174.900 0.002 0.000 1.201 123 G CA 0.732 45.830 45.100 -0.005 0.000 0.784 123 G HN 0.374 nan 8.290 nan 0.000 0.545 124 I N 0.722 121.297 120.570 0.009 0.000 2.194 124 I HA -0.210 3.961 4.170 0.001 0.000 0.246 124 I C 2.669 178.816 176.117 0.050 0.000 1.093 124 I CA 1.810 63.132 61.300 0.037 0.000 1.355 124 I CB 0.053 38.076 38.000 0.038 0.000 1.046 124 I HN 0.147 nan 8.210 nan 0.000 0.413 125 S N -0.262 115.446 115.700 0.013 0.000 2.414 125 S HA -0.108 4.363 4.470 0.001 0.000 0.227 125 S C 1.756 176.382 174.600 0.043 0.000 1.022 125 S CA 1.571 59.778 58.200 0.011 0.000 0.958 125 S CB -0.193 62.969 63.200 -0.063 0.000 0.797 125 S HN 0.522 nan 8.310 nan 0.000 0.493 126 T N 2.282 116.858 114.554 0.036 0.000 2.995 126 T HA 0.119 4.469 4.350 0.001 0.000 0.269 126 T C 2.075 176.809 174.700 0.056 0.000 1.091 126 T CA 0.878 63.008 62.100 0.050 0.000 1.128 126 T CB -0.289 68.605 68.868 0.044 0.000 0.891 126 T HN 0.441 nan 8.240 nan 0.000 0.492 127 A N 1.159 124.012 122.820 0.054 0.000 1.972 127 A HA -0.027 4.293 4.320 0.001 0.000 0.219 127 A C 2.498 180.119 177.584 0.063 0.000 1.169 127 A CA 1.041 53.112 52.037 0.056 0.000 0.635 127 A CB -0.904 18.131 19.000 0.059 0.000 0.810 127 A HN 0.371 nan 8.150 nan 0.000 0.446 128 V N -0.042 119.927 119.914 0.091 0.000 2.392 128 V HA -0.218 3.902 4.120 0.001 0.000 0.249 128 V C 2.777 178.909 176.094 0.063 0.000 1.059 128 V CA 1.973 64.339 62.300 0.111 0.000 1.051 128 V CB -1.450 30.482 31.823 0.182 0.000 0.658 128 V HN 0.606 nan 8.190 nan 0.000 0.455 129 G N -0.326 108.509 108.800 0.059 0.000 2.408 129 G HA2 -0.173 3.787 3.960 0.001 0.000 0.217 129 G HA3 -0.173 3.787 3.960 0.001 0.000 0.217 129 G C 1.576 176.450 174.900 -0.043 0.000 1.150 129 G CA 0.815 45.912 45.100 -0.004 0.000 0.776 129 G HN 0.465 nan 8.290 nan 0.000 0.542 130 L N 0.620 121.859 121.223 0.027 0.000 2.017 130 L HA -0.051 4.289 4.340 0.001 0.000 0.208 130 L C 3.422 180.302 176.870 0.016 0.000 1.073 130 L CA 1.110 56.011 54.840 0.101 0.000 0.745 130 L CB -0.479 41.659 42.059 0.132 0.000 0.894 130 L HN 0.297 nan 8.230 nan 0.000 0.432 131 A N -0.067 122.727 122.820 -0.044 0.000 1.902 131 A HA -0.211 4.109 4.320 0.001 0.000 0.217 131 A C 2.317 179.761 177.584 -0.233 0.000 1.181 131 A CA 1.532 53.491 52.037 -0.131 0.000 0.623 131 A CB -0.762 18.172 19.000 -0.110 0.000 0.818 131 A HN 0.399 nan 8.150 nan 0.000 0.443 132 L N -0.740 120.325 121.223 -0.264 0.000 2.046 132 L HA -0.170 4.170 4.340 0.001 0.000 0.208 132 L C 2.875 179.433 176.870 -0.519 0.000 1.077 132 L CA 1.428 55.992 54.840 -0.460 0.000 0.747 132 L CB -0.430 41.245 42.059 -0.640 0.000 0.896 132 L HN 0.424 nan 8.230 nan 0.000 0.432 133 A N 0.671 123.213 122.820 -0.464 0.000 1.883 133 A HA -0.292 4.028 4.320 0.001 0.000 0.217 133 A C 1.975 179.242 177.584 -0.528 0.000 1.186 133 A CA 2.079 53.816 52.037 -0.501 0.000 0.624 133 A CB -0.606 18.100 19.000 -0.491 0.000 0.822 133 A HN 0.724 nan 8.150 nan 0.000 0.444 134 E N -0.165 119.664 120.200 -0.618 0.000 2.107 134 E HA -0.146 4.205 4.350 0.001 0.000 0.191 134 E C 2.042 178.459 176.600 -0.306 0.000 0.982 134 E CA 1.238 57.370 56.400 -0.447 0.000 0.809 134 E CB -0.427 28.933 29.700 -0.566 0.000 0.756 134 E HN 0.571 nan 8.360 nan 0.000 0.459 135 R N 1.195 121.510 120.500 -0.307 0.000 2.091 135 R HA -0.150 4.191 4.340 0.001 0.000 0.238 135 R C 2.277 178.484 176.300 -0.156 0.000 1.136 135 R CA 2.176 58.139 56.100 -0.228 0.000 0.959 135 R CB -0.176 30.000 30.300 -0.207 0.000 0.856 135 R HN 0.413 nan 8.270 nan 0.000 0.437 136 K N -0.398 119.893 120.400 -0.181 0.000 2.314 136 K HA -0.050 4.270 4.320 0.001 0.000 0.198 136 K C 1.905 178.518 176.600 0.021 0.000 1.045 136 K CA 0.513 56.739 56.287 -0.100 0.000 0.988 136 K CB -0.083 32.269 32.500 -0.246 0.000 0.783 136 K HN 0.128 nan 8.250 nan 0.000 0.484 137 L N 1.557 122.841 121.223 0.102 0.000 2.217 137 L HA 0.055 4.396 4.340 0.001 0.000 0.211 137 L C 2.338 179.265 176.870 0.094 0.000 1.107 137 L CA 1.473 56.406 54.840 0.154 0.000 0.783 137 L CB -0.291 41.842 42.059 0.124 0.000 0.919 137 L HN 0.309 nan 8.230 nan 0.000 0.442 138 A N -0.608 122.219 122.820 0.011 0.000 1.872 138 A HA 0.003 4.323 4.320 0.001 0.000 0.214 138 A C 2.454 180.012 177.584 -0.043 0.000 1.187 138 A CA 1.342 53.377 52.037 -0.005 0.000 0.614 138 A CB -1.137 17.824 19.000 -0.064 0.000 0.826 138 A HN 0.470 nan 8.150 nan 0.000 0.442 139 A N -0.192 122.584 122.820 -0.073 0.000 1.948 139 A HA -0.241 4.080 4.320 0.001 0.000 0.220 139 A C 1.946 179.438 177.584 -0.154 0.000 1.177 139 A CA 1.896 53.878 52.037 -0.093 0.000 0.636 139 A CB -0.561 18.392 19.000 -0.078 0.000 0.815 139 A HN 0.654 nan 8.150 nan 0.000 0.449 140 E N -1.856 118.201 120.200 -0.238 0.000 2.072 140 E HA -0.111 4.239 4.350 0.001 0.000 0.191 140 E C 1.113 177.273 176.600 -0.733 0.000 0.985 140 E CA 1.304 57.371 56.400 -0.555 0.000 0.801 140 E CB -0.108 29.092 29.700 -0.833 0.000 0.750 140 E HN 0.745 nan 8.360 nan 0.000 0.452 141 F N -0.191 119.735 119.950 -0.040 0.000 2.746 141 F HA 0.206 4.733 4.527 0.001 0.000 0.313 141 F C 0.507 176.245 175.800 -0.103 0.000 1.095 141 F CA -0.557 57.414 58.000 -0.048 0.000 1.224 141 F CB 0.127 39.093 39.000 -0.056 0.000 1.060 141 F HN -0.262 nan 8.300 nan 0.000 0.584 142 N N 1.995 120.717 118.700 0.037 0.000 2.492 142 N HA 0.344 5.084 4.740 0.001 0.000 0.262 142 N C -0.113 175.403 175.510 0.009 0.000 1.202 142 N CA 0.363 53.418 53.050 0.008 0.000 0.926 142 N CB 0.558 39.047 38.487 0.003 0.000 1.078 142 N HN 0.185 nan 8.380 nan 0.000 0.454 143 R N 1.070 121.605 120.500 0.058 0.000 2.795 143 R HA 0.428 4.768 4.340 0.001 0.000 0.268 143 R C -2.655 173.743 176.300 0.164 0.000 1.041 143 R CA -1.714 54.424 56.100 0.065 0.000 0.927 143 R CB 1.196 31.443 30.300 -0.089 0.000 1.235 143 R HN 0.315 nan 8.270 nan 0.000 0.463 144 P HA -0.040 nan 4.420 nan 0.000 0.256 144 P C 0.213 177.621 177.300 0.180 0.000 1.173 144 P CA 1.552 64.747 63.100 0.159 0.000 0.768 144 P CB 0.252 32.047 31.700 0.159 0.000 0.758 145 G N 2.445 111.284 108.800 0.065 0.000 2.168 145 G HA2 -0.239 3.721 3.960 0.001 0.000 0.257 145 G HA3 -0.239 3.721 3.960 0.001 0.000 0.257 145 G C 0.080 174.816 174.900 -0.272 0.000 0.997 145 G CA -0.193 44.862 45.100 -0.075 0.000 0.708 145 G HN 0.725 nan 8.290 nan 0.000 0.520 146 H N -1.054 118.100 119.070 0.140 0.000 2.852 146 H HA 0.361 4.918 4.556 0.001 0.000 0.274 146 H C -0.709 174.641 175.328 0.037 0.000 1.321 146 H CA -0.391 55.740 56.048 0.138 0.000 1.582 146 H CB 1.217 31.178 29.762 0.331 0.000 1.699 146 H HN 0.115 nan 8.280 nan 0.000 0.546 147 V N 4.180 124.156 119.914 0.104 0.000 2.270 147 V HA 0.021 4.141 4.120 0.001 0.000 0.263 147 V C 1.605 177.748 176.094 0.082 0.000 1.066 147 V CA -0.243 62.102 62.300 0.074 0.000 0.857 147 V CB 0.734 32.605 31.823 0.079 0.000 1.099 147 V HN 0.562 nan 8.190 nan 0.000 0.476 148 V N 2.715 122.630 119.914 0.003 0.000 3.506 148 V HA 0.270 4.391 4.120 0.001 0.000 0.263 148 V C 0.498 176.775 176.094 0.305 0.000 1.203 148 V CA 0.204 62.519 62.300 0.025 0.000 1.133 148 V CB 0.339 31.959 31.823 -0.339 0.000 0.802 148 V HN 0.430 nan 8.190 nan 0.000 0.459 149 V N 1.902 121.930 119.914 0.190 0.000 2.488 149 V HA 0.675 4.795 4.120 0.001 0.000 0.293 149 V C -1.408 174.725 176.094 0.065 0.000 1.027 149 V CA -0.046 62.364 62.300 0.184 0.000 0.862 149 V CB 1.502 33.406 31.823 0.135 0.000 1.008 149 V HN 0.540 nan 8.190 nan 0.000 0.428 150 D N 3.874 124.312 120.400 0.063 0.000 2.634 150 D HA 0.257 4.897 4.640 0.001 0.000 0.236 150 D C -0.760 175.499 176.300 -0.068 0.000 1.323 150 D CA -0.259 53.698 54.000 -0.071 0.000 0.884 150 D CB 0.487 41.293 40.800 0.009 0.000 1.496 150 D HN 0.745 nan 8.370 nan 0.000 0.525 151 H N 0.166 119.108 119.070 -0.214 0.000 2.928 151 H HA 0.492 5.048 4.556 0.001 0.000 0.371 151 H C -1.189 173.979 175.328 -0.266 0.000 1.186 151 H CA -0.714 55.224 56.048 -0.183 0.000 1.134 151 H CB 0.528 30.147 29.762 -0.238 0.000 1.824 151 H HN 0.048 nan 8.280 nan 0.000 0.554 152 Y N 0.049 120.338 120.300 -0.019 0.000 2.488 152 Y HA 0.390 4.940 4.550 0.001 0.000 0.325 152 Y C 0.574 176.380 175.900 -0.157 0.000 1.204 152 Y CA -0.527 57.468 58.100 -0.175 0.000 1.229 152 Y CB 1.856 40.131 38.460 -0.309 0.000 1.274 152 Y HN 0.569 nan 8.280 nan 0.000 0.493 153 T N 2.091 116.560 114.554 -0.142 0.000 2.833 153 T HA 0.422 4.773 4.350 0.001 0.000 0.297 153 T C -1.318 173.274 174.700 -0.181 0.000 1.015 153 T CA -0.643 61.415 62.100 -0.070 0.000 0.963 153 T CB -0.287 68.565 68.868 -0.026 0.000 0.955 153 T HN 0.271 nan 8.240 nan 0.000 0.449 154 Y N 1.456 121.873 120.300 0.195 0.000 2.457 154 Y HA 0.716 5.266 4.550 0.001 0.000 0.333 154 Y C 0.131 176.157 175.900 0.210 0.000 1.119 154 Y CA -0.965 57.315 58.100 0.300 0.000 1.143 154 Y CB 1.506 40.245 38.460 0.465 0.000 1.230 154 Y HN 0.292 nan 8.280 nan 0.000 0.469 155 V N 3.439 123.601 119.914 0.414 0.000 2.851 155 V HA 0.316 4.436 4.120 0.001 0.000 0.307 155 V C -1.504 174.785 176.094 0.325 0.000 1.129 155 V CA -0.798 61.596 62.300 0.157 0.000 0.932 155 V CB 2.252 34.136 31.823 0.101 0.000 1.024 155 V HN 0.499 nan 8.190 nan 0.000 0.426 156 L N 4.093 125.408 121.223 0.154 0.000 2.305 156 L HA 0.961 5.302 4.340 0.001 0.000 0.284 156 L C 0.044 177.011 176.870 0.163 0.000 1.013 156 L CA -0.058 54.944 54.840 0.269 0.000 0.819 156 L CB 0.983 43.226 42.059 0.306 0.000 1.227 156 L HN 0.901 nan 8.230 nan 0.000 0.417 157 A N 3.261 126.215 122.820 0.223 0.000 2.384 157 A HA 0.907 5.228 4.320 0.001 0.000 0.312 157 A C -0.474 177.293 177.584 0.306 0.000 1.113 157 A CA -0.078 52.079 52.037 0.201 0.000 0.779 157 A CB 1.490 20.577 19.000 0.145 0.000 1.307 157 A HN 0.828 nan 8.150 nan 0.000 0.436 158 S N -0.148 115.717 115.700 0.275 0.000 2.766 158 S HA 0.450 4.920 4.470 0.001 0.000 0.307 158 S C 0.001 174.789 174.600 0.312 0.000 1.121 158 S CA -0.379 58.030 58.200 0.348 0.000 0.980 158 S CB 0.910 64.306 63.200 0.327 0.000 1.159 158 S HN 0.544 nan 8.310 nan 0.000 0.546 159 D N 1.231 121.848 120.400 0.363 0.000 2.116 159 D HA -0.051 4.589 4.640 0.001 0.000 0.193 159 D C 2.106 178.301 176.300 -0.176 0.000 0.998 159 D CA 1.898 56.016 54.000 0.198 0.000 0.836 159 D CB -1.133 39.836 40.800 0.282 0.000 0.951 159 D HN 0.769 nan 8.370 nan 0.000 0.449 160 G N 0.956 109.703 108.800 -0.089 0.000 2.469 160 G HA2 -0.311 3.650 3.960 0.001 0.000 0.219 160 G HA3 -0.311 3.650 3.960 0.001 0.000 0.219 160 G C 1.261 176.076 174.900 -0.142 0.000 1.150 160 G CA 1.365 46.378 45.100 -0.146 0.000 0.763 160 G HN 0.243 nan 8.290 nan 0.000 0.561 161 D N 0.033 120.396 120.400 -0.062 0.000 2.149 161 D HA -0.010 4.630 4.640 0.001 0.000 0.198 161 D C 1.569 177.800 176.300 -0.114 0.000 0.990 161 D CA 0.402 54.368 54.000 -0.056 0.000 0.839 161 D CB -0.003 40.800 40.800 0.005 0.000 0.948 161 D HN 0.286 nan 8.370 nan 0.000 0.460 165 G N 1.231 110.001 108.800 -0.049 0.000 2.479 165 G HA2 -0.208 3.753 3.960 0.001 0.000 0.220 165 G HA3 -0.208 3.753 3.960 0.001 0.000 0.220 165 G C 1.300 176.155 174.900 -0.075 0.000 1.115 165 G CA 0.969 46.046 45.100 -0.038 0.000 0.757 165 G HN 0.330 nan 8.290 nan 0.000 0.560 166 V N 1.760 121.598 119.914 -0.126 0.000 2.490 166 V HA -0.188 3.933 4.120 0.001 0.000 0.250 166 V C 3.060 179.025 176.094 -0.215 0.000 1.061 166 V CA 2.887 65.022 62.300 -0.276 0.000 1.064 166 V CB -0.359 31.064 31.823 -0.667 0.000 0.670 166 V HN 0.549 nan 8.190 nan 0.000 0.461 167 S N -0.119 115.480 115.700 -0.169 0.000 2.387 167 S HA 0.009 4.479 4.470 0.001 0.000 0.226 167 S C 2.102 176.548 174.600 -0.255 0.000 1.026 167 S CA 1.099 59.208 58.200 -0.153 0.000 0.972 167 S CB -0.896 62.250 63.200 -0.090 0.000 0.814 167 S HN 0.653 nan 8.310 nan 0.000 0.477 168 G N 1.530 110.182 108.800 -0.248 0.000 2.402 168 G HA2 -0.121 3.839 3.960 0.001 0.000 0.216 168 G HA3 -0.121 3.839 3.960 0.001 0.000 0.216 168 G C 1.366 175.980 174.900 -0.477 0.000 1.162 168 G CA 0.735 45.608 45.100 -0.378 0.000 0.777 168 G HN 0.611 nan 8.290 nan 0.000 0.539 169 E N 0.478 120.524 120.200 -0.258 0.000 2.058 169 E HA -0.117 4.233 4.350 0.001 0.000 0.194 169 E C 2.931 179.384 176.600 -0.244 0.000 0.997 169 E CA 0.992 57.267 56.400 -0.207 0.000 0.801 169 E CB -0.202 29.433 29.700 -0.109 0.000 0.746 169 E HN 0.409 nan 8.360 nan 0.000 0.450 170 A N 1.298 123.994 122.820 -0.206 0.000 1.898 170 A HA -0.079 4.242 4.320 0.001 0.000 0.216 170 A C 2.373 179.872 177.584 -0.141 0.000 1.181 170 A CA 1.613 53.579 52.037 -0.119 0.000 0.620 170 A CB -0.652 18.321 19.000 -0.045 0.000 0.819 170 A HN 0.299 nan 8.150 nan 0.000 0.442 171 A N -0.632 121.989 122.820 -0.333 0.000 1.865 171 A HA -0.155 4.165 4.320 0.001 0.000 0.217 171 A C 2.494 179.866 177.584 -0.353 0.000 1.191 171 A CA 2.314 54.127 52.037 -0.374 0.000 0.623 171 A CB -1.189 17.028 19.000 -1.304 0.000 0.826 171 A HN 0.604 nan 8.150 nan 0.000 0.444 172 S N -0.456 114.730 115.700 -0.857 0.000 2.374 172 S HA -0.164 4.307 4.470 0.001 0.000 0.227 172 S C 1.914 176.384 174.600 -0.217 0.000 1.037 172 S CA 1.744 59.685 58.200 -0.431 0.000 1.024 172 S CB -0.526 62.484 63.200 -0.318 0.000 0.861 172 S HN 0.477 nan 8.310 nan 0.000 0.456 173 L N 0.689 121.715 121.223 -0.329 0.000 2.156 173 L HA -0.004 4.337 4.340 0.001 0.000 0.208 173 L C 2.937 179.587 176.870 -0.366 0.000 1.095 173 L CA 0.992 55.480 54.840 -0.587 0.000 0.770 173 L CB -0.768 40.814 42.059 -0.795 0.000 0.914 173 L HN 0.411 nan 8.230 nan 0.000 0.439 174 A N 0.652 123.459 122.820 -0.022 0.000 1.858 174 A HA -0.124 4.196 4.320 0.001 0.000 0.216 174 A C 2.420 179.991 177.584 -0.022 0.000 1.190 174 A CA 1.796 53.889 52.037 0.093 0.000 0.617 174 A CB -1.307 17.798 19.000 0.175 0.000 0.827 174 A HN 0.410 nan 8.150 nan 0.000 0.443 175 G N -1.231 107.601 108.800 0.054 0.000 2.446 175 G HA2 -0.329 3.631 3.960 0.001 0.000 0.217 175 G HA3 -0.329 3.631 3.960 0.001 0.000 0.217 175 G C 1.504 176.424 174.900 0.034 0.000 1.168 175 G CA 1.531 46.643 45.100 0.021 0.000 0.771 175 G HN 0.783 nan 8.290 nan 0.000 0.551 176 H N -1.140 117.885 119.070 -0.074 0.000 2.387 176 H HA -0.089 4.467 4.556 0.001 0.000 0.299 176 H C 1.993 177.306 175.328 -0.024 0.000 1.099 176 H CA 1.777 57.753 56.048 -0.120 0.000 1.315 176 H CB -0.110 29.480 29.762 -0.286 0.000 1.380 176 H HN 0.416 nan 8.280 nan 0.000 0.513 177 W N 0.233 121.523 121.300 -0.017 0.000 2.905 177 W HA 0.307 4.967 4.660 0.001 0.000 0.251 177 W C 1.335 177.797 176.519 -0.094 0.000 1.305 177 W CA 1.243 58.570 57.345 -0.029 0.000 1.465 177 W CB -0.581 28.953 29.460 0.122 0.000 1.122 177 W HN 0.497 nan 8.180 nan 0.000 0.659 178 G N 1.186 110.024 108.800 0.063 0.000 2.182 178 G HA2 -0.289 3.671 3.960 0.001 0.000 0.248 178 G HA3 -0.289 3.671 3.960 0.001 0.000 0.248 178 G C -0.000 174.861 174.900 -0.064 0.000 1.042 178 G CA -0.363 44.713 45.100 -0.040 0.000 0.775 178 G HN 0.154 nan 8.290 nan 0.000 0.501 179 L N 1.739 122.916 121.223 -0.076 0.000 2.536 179 L HA 0.191 4.531 4.340 0.001 0.000 0.282 179 L C 2.010 178.748 176.870 -0.220 0.000 1.174 179 L CA 0.274 55.033 54.840 -0.136 0.000 0.989 179 L CB 0.262 42.247 42.059 -0.124 0.000 1.311 179 L HN 0.431 nan 8.230 nan 0.000 0.455 180 S N 1.270 116.861 115.700 -0.182 0.000 2.428 180 S HA -0.092 4.378 4.470 0.001 0.000 0.230 180 S C 1.279 175.785 174.600 -0.157 0.000 1.014 180 S CA 0.453 58.554 58.200 -0.165 0.000 0.957 180 S CB -0.055 63.072 63.200 -0.121 0.000 0.784 180 S HN 0.607 nan 8.310 nan 0.000 0.499 181 K N 0.800 121.069 120.400 -0.219 0.000 2.500 181 K HA 0.343 4.663 4.320 0.001 0.000 0.206 181 K C -0.667 175.822 176.600 -0.184 0.000 1.034 181 K CA -0.268 55.877 56.287 -0.236 0.000 1.179 181 K CB 0.147 32.287 32.500 -0.601 0.000 0.884 181 K HN 0.267 nan 8.250 nan 0.000 0.493 182 L N 1.551 122.653 121.223 -0.203 0.000 2.272 182 L HA 0.451 4.791 4.340 0.001 0.000 0.289 182 L C -1.004 175.755 176.870 -0.185 0.000 1.032 182 L CA -0.459 54.266 54.840 -0.192 0.000 0.810 182 L CB 0.634 42.567 42.059 -0.210 0.000 1.205 182 L HN 0.032 nan 8.230 nan 0.000 0.422 183 I N 5.757 126.228 120.570 -0.166 0.000 2.466 183 I HA 0.484 4.654 4.170 0.001 0.000 0.289 183 I C -1.037 175.023 176.117 -0.095 0.000 1.026 183 I CA -0.836 60.367 61.300 -0.162 0.000 1.078 183 I CB 2.140 39.988 38.000 -0.254 0.000 1.249 183 I HN 0.232 nan 8.210 nan 0.000 0.429 184 V N 6.232 126.098 119.914 -0.080 0.000 2.487 184 V HA 0.460 4.580 4.120 0.001 0.000 0.298 184 V C -0.704 175.288 176.094 -0.170 0.000 1.028 184 V CA -0.592 61.706 62.300 -0.004 0.000 0.860 184 V CB 1.734 33.647 31.823 0.150 0.000 0.991 184 V HN 0.365 nan 8.190 nan 0.000 0.427 185 F N 3.404 123.479 119.950 0.208 0.000 2.420 185 F HA 0.534 5.062 4.527 0.001 0.000 0.342 185 F C -0.336 175.598 175.800 0.224 0.000 1.113 185 F CA -0.439 57.675 58.000 0.189 0.000 1.059 185 F CB 1.325 40.427 39.000 0.169 0.000 1.128 185 F HN 0.628 nan 8.300 nan 0.000 0.475 186 W N 5.136 126.525 121.300 0.148 0.000 2.417 186 W HA 0.374 5.034 4.660 0.001 0.000 0.315 186 W C -0.917 175.657 176.519 0.092 0.000 1.045 186 W CA -1.770 55.623 57.345 0.080 0.000 1.221 186 W CB 1.065 30.520 29.460 -0.008 0.000 1.309 186 W HN 0.478 nan 8.180 nan 0.000 0.453 187 D N 4.263 124.659 120.400 -0.006 0.000 2.435 187 D HA 0.021 4.662 4.640 0.001 0.000 0.230 187 D C -0.622 175.369 176.300 -0.516 0.000 1.215 187 D CA 0.142 54.012 54.000 -0.216 0.000 0.947 187 D CB 0.071 40.868 40.800 -0.004 0.000 1.048 187 D HN 0.371 nan 8.370 nan 0.000 0.512 188 D N 2.474 122.292 120.400 -0.969 0.000 2.470 188 D HA 0.044 4.685 4.640 0.001 0.000 0.226 188 D C 0.514 176.591 176.300 -0.371 0.000 1.196 188 D CA -0.340 53.117 54.000 -0.904 0.000 0.979 188 D CB -0.102 39.889 40.800 -1.349 0.000 1.059 188 D HN 0.411 nan 8.370 nan 0.000 0.515 189 N N 2.101 120.712 118.700 -0.147 0.000 2.205 189 N HA -0.000 4.740 4.740 0.001 0.000 0.201 189 N C 0.066 175.586 175.510 0.017 0.000 1.128 189 N CA -0.401 52.607 53.050 -0.071 0.000 0.867 189 N CB 0.340 38.825 38.487 -0.005 0.000 0.996 189 N HN 0.101 nan 8.380 nan 0.000 0.503 190 R N -0.559 119.977 120.500 0.060 0.000 3.770 190 R HA -0.118 4.223 4.340 0.001 0.000 0.305 190 R C -0.858 175.507 176.300 0.108 0.000 1.184 190 R CA 0.438 56.599 56.100 0.102 0.000 0.823 190 R CB -2.611 27.729 30.300 0.067 0.000 1.285 190 R HN 0.403 nan 8.270 nan 0.000 0.499 191 I N 0.150 120.790 120.570 0.116 0.000 2.647 191 I HA 0.384 4.554 4.170 0.001 0.000 0.295 191 I C 0.769 176.931 176.117 0.074 0.000 1.078 191 I CA -0.615 60.742 61.300 0.095 0.000 1.048 191 I CB 2.335 40.397 38.000 0.104 0.000 1.239 191 I HN 0.187 nan 8.210 nan 0.000 0.421 192 S N 4.297 120.008 115.700 0.017 0.000 2.667 192 S HA 0.597 5.067 4.470 0.001 0.000 0.292 192 S C 0.794 175.309 174.600 -0.141 0.000 1.126 192 S CA -0.656 57.504 58.200 -0.067 0.000 0.881 192 S CB 1.837 65.020 63.200 -0.028 0.000 1.132 192 S HN 0.301 nan 8.310 nan 0.000 0.492 193 I N 1.518 121.938 120.570 -0.249 0.000 2.194 193 I HA -0.157 4.013 4.170 0.001 0.000 0.246 193 I C 1.748 177.813 176.117 -0.086 0.000 1.093 193 I CA 1.643 62.810 61.300 -0.222 0.000 1.355 193 I CB -0.555 37.324 38.000 -0.201 0.000 1.046 193 I HN 0.668 nan 8.210 nan 0.000 0.413 194 D N 0.065 120.430 120.400 -0.060 0.000 2.277 194 D HA 0.151 4.791 4.640 0.001 0.000 0.208 194 D C 1.299 177.595 176.300 -0.008 0.000 0.962 194 D CA 1.290 55.275 54.000 -0.025 0.000 0.865 194 D CB 0.188 40.977 40.800 -0.017 0.000 0.939 194 D HN 0.463 nan 8.370 nan 0.000 0.510 195 G N -0.283 108.514 108.800 -0.006 0.000 2.292 195 G HA2 -0.041 3.920 3.960 0.001 0.000 0.194 195 G HA3 -0.041 3.920 3.960 0.001 0.000 0.194 195 G C -2.752 172.166 174.900 0.029 0.000 1.329 195 G CA -1.027 44.082 45.100 0.014 0.000 1.100 195 G HN -0.158 nan 8.290 nan 0.000 0.470 196 P HA 0.221 nan 4.420 nan 0.000 0.261 196 P C 0.976 178.318 177.300 0.070 0.000 1.183 196 P CA 0.811 63.944 63.100 0.055 0.000 0.761 196 P CB 0.663 32.391 31.700 0.048 0.000 0.785 197 T N 1.550 116.163 114.554 0.099 0.000 2.849 197 T HA -0.179 4.171 4.350 0.001 0.000 0.270 197 T C 1.061 175.854 174.700 0.154 0.000 1.066 197 T CA 1.818 64.005 62.100 0.146 0.000 1.130 197 T CB -0.772 68.233 68.868 0.228 0.000 0.864 197 T HN 0.607 nan 8.240 nan 0.000 0.481 198 D N 0.975 121.442 120.400 0.112 0.000 2.403 198 D HA -0.058 4.583 4.640 0.001 0.000 0.227 198 D C 1.404 177.749 176.300 0.076 0.000 0.995 198 D CA 0.288 54.340 54.000 0.087 0.000 0.928 198 D CB -0.504 40.331 40.800 0.057 0.000 0.887 198 D HN 0.251 nan 8.370 nan 0.000 0.529 199 L N -0.256 121.014 121.223 0.078 0.000 2.341 199 L HA 0.315 4.655 4.340 0.001 0.000 0.214 199 L C 1.949 178.858 176.870 0.065 0.000 1.115 199 L CA 0.963 55.838 54.840 0.058 0.000 0.820 199 L CB -0.215 41.869 42.059 0.043 0.000 0.944 199 L HN 0.304 nan 8.230 nan 0.000 0.452 200 A N -3.101 119.780 122.820 0.102 0.000 2.653 200 A HA 0.251 4.572 4.320 0.001 0.000 0.231 200 A C -0.200 177.515 177.584 0.219 0.000 1.146 200 A CA -0.249 51.855 52.037 0.110 0.000 1.024 200 A CB 0.033 19.070 19.000 0.062 0.000 1.202 200 A HN 0.008 nan 8.150 nan 0.000 0.543 201 F N 1.862 121.823 119.950 0.017 0.000 2.771 201 F HA 0.479 5.007 4.527 0.001 0.000 0.365 201 F C 0.773 176.593 175.800 0.033 0.000 1.169 201 F CA 0.060 58.072 58.000 0.019 0.000 1.093 201 F CB 1.626 40.644 39.000 0.030 0.000 1.363 201 F HN 0.058 nan 8.300 nan 0.000 0.496 202 T N -0.246 114.249 114.554 -0.098 0.000 3.058 202 T HA 0.175 4.526 4.350 0.001 0.000 0.278 202 T C 0.294 174.862 174.700 -0.220 0.000 0.974 202 T CA -0.093 61.910 62.100 -0.162 0.000 0.893 202 T CB -0.374 68.465 68.868 -0.048 0.000 1.138 202 T HN 0.539 nan 8.240 nan 0.000 0.529 203 E N 1.490 121.534 120.200 -0.259 0.000 2.438 203 E HA 0.031 4.381 4.350 0.001 0.000 0.261 203 E C -0.420 176.038 176.600 -0.237 0.000 1.103 203 E CA -0.464 55.820 56.400 -0.194 0.000 0.959 203 E CB 0.296 29.928 29.700 -0.113 0.000 0.958 203 E HN 0.099 nan 8.360 nan 0.000 0.447 204 D N 2.618 122.934 120.400 -0.141 0.000 2.558 204 D HA -0.016 4.625 4.640 0.001 0.000 0.221 204 D C 1.257 177.493 176.300 -0.107 0.000 1.143 204 D CA -0.129 53.806 54.000 -0.107 0.000 1.010 204 D CB 0.609 41.370 40.800 -0.065 0.000 1.068 204 D HN 0.483 nan 8.370 nan 0.000 0.511 205 V N 2.095 121.909 119.914 -0.167 0.000 2.250 205 V HA -0.326 3.795 4.120 0.001 0.000 0.250 205 V C 2.268 178.350 176.094 -0.019 0.000 1.060 205 V CA 1.153 63.372 62.300 -0.135 0.000 1.030 205 V CB -0.930 30.658 31.823 -0.392 0.000 0.643 205 V HN 0.339 nan 8.190 nan 0.000 0.445 206 L N 1.245 122.454 121.223 -0.022 0.000 2.042 206 L HA -0.069 4.271 4.340 0.001 0.000 0.210 206 L C 2.941 179.837 176.870 0.042 0.000 1.076 206 L CA 2.488 57.348 54.840 0.033 0.000 0.749 206 L CB -1.336 40.760 42.059 0.062 0.000 0.893 206 L HN 0.445 nan 8.230 nan 0.000 0.432 207 A N -0.527 122.292 122.820 -0.002 0.000 1.902 207 A HA -0.258 4.062 4.320 0.001 0.000 0.217 207 A C 2.487 180.018 177.584 -0.088 0.000 1.181 207 A CA 1.881 53.900 52.037 -0.031 0.000 0.623 207 A CB -0.568 18.404 19.000 -0.047 0.000 0.818 207 A HN 0.397 nan 8.150 nan 0.000 0.443 208 R N -1.864 118.564 120.500 -0.120 0.000 2.070 208 R HA -0.185 4.155 4.340 0.001 0.000 0.233 208 R C 1.925 177.943 176.300 -0.471 0.000 1.137 208 R CA 2.021 57.935 56.100 -0.310 0.000 0.945 208 R CB -0.598 29.559 30.300 -0.239 0.000 0.845 208 R HN 0.500 nan 8.270 nan 0.000 0.430 209 Y N 0.318 120.459 120.300 -0.264 0.000 2.274 209 Y HA -0.145 4.405 4.550 0.001 0.000 0.290 209 Y C 2.565 178.453 175.900 -0.020 0.000 1.145 209 Y CA 1.759 59.772 58.100 -0.144 0.000 1.203 209 Y CB -0.152 38.151 38.460 -0.262 0.000 0.984 209 Y HN 0.095 nan 8.280 nan 0.000 0.533 210 R N -0.211 120.347 120.500 0.098 0.000 2.081 210 R HA -0.140 4.201 4.340 0.001 0.000 0.235 210 R C 2.457 178.780 176.300 0.038 0.000 1.131 210 R CA 1.202 57.367 56.100 0.108 0.000 0.960 210 R CB -0.535 29.799 30.300 0.057 0.000 0.856 210 R HN 0.291 nan 8.270 nan 0.000 0.436 211 A N -0.383 122.366 122.820 -0.118 0.000 1.978 211 A HA -0.185 4.135 4.320 0.001 0.000 0.220 211 A C 1.441 178.958 177.584 -0.111 0.000 1.170 211 A CA 1.275 53.205 52.037 -0.177 0.000 0.636 211 A CB -0.650 18.148 19.000 -0.336 0.000 0.810 211 A HN 0.424 nan 8.150 nan 0.000 0.448 212 Y N -0.564 119.731 120.300 -0.009 0.000 2.578 212 Y HA 0.296 4.847 4.550 0.001 0.000 0.297 212 Y C 1.833 177.865 175.900 0.220 0.000 1.176 212 Y CA 0.009 58.137 58.100 0.047 0.000 1.315 212 Y CB -0.667 37.747 38.460 -0.076 0.000 1.031 212 Y HN 0.462 nan 8.280 nan 0.000 0.524 213 G N -1.702 107.288 108.800 0.316 0.000 2.171 213 G HA2 -0.262 3.698 3.960 0.001 0.000 0.238 213 G HA3 -0.262 3.698 3.960 0.001 0.000 0.238 213 G C -0.248 174.833 174.900 0.302 0.000 1.039 213 G CA -0.262 44.983 45.100 0.241 0.000 0.759 213 G HN 0.247 nan 8.290 nan 0.000 0.501 214 W N -0.429 120.941 121.300 0.118 0.000 2.481 214 W HA 0.725 5.386 4.660 0.001 0.000 0.369 214 W C 0.620 177.195 176.519 0.093 0.000 1.235 214 W CA -0.771 56.651 57.345 0.129 0.000 1.344 214 W CB 0.754 30.356 29.460 0.237 0.000 1.360 214 W HN 0.216 nan 8.180 nan 0.000 0.658 215 Q N 0.768 120.767 119.800 0.332 0.000 2.274 215 Q HA 0.529 4.869 4.340 0.001 0.000 0.260 215 Q C -0.805 175.339 176.000 0.241 0.000 0.974 215 Q CA -0.398 55.525 55.803 0.200 0.000 0.876 215 Q CB 1.590 30.391 28.738 0.104 0.000 1.297 215 Q HN 0.518 nan 8.270 nan 0.000 0.446 216 T N 1.495 116.148 114.554 0.165 0.000 2.881 216 T HA 0.674 5.025 4.350 0.001 0.000 0.290 216 T C -0.523 174.233 174.700 0.093 0.000 1.000 216 T CA -0.699 61.482 62.100 0.134 0.000 0.978 216 T CB 0.828 69.769 68.868 0.121 0.000 0.997 216 T HN 0.487 nan 8.240 nan 0.000 0.443 217 L N 1.453 122.724 121.223 0.080 0.000 2.279 217 L HA 0.904 5.245 4.340 0.001 0.000 0.262 217 L C -0.284 176.626 176.870 0.067 0.000 1.019 217 L CA -1.351 53.529 54.840 0.066 0.000 0.823 217 L CB 2.257 44.351 42.059 0.058 0.000 1.358 217 L HN 0.588 nan 8.230 nan 0.000 0.432 218 R N 0.180 120.713 120.500 0.055 0.000 2.673 218 R HA 0.752 5.093 4.340 0.001 0.000 0.281 218 R C -2.046 174.272 176.300 0.030 0.000 0.991 218 R CA -0.554 55.571 56.100 0.042 0.000 0.896 218 R CB 2.151 32.471 30.300 0.033 0.000 1.201 218 R HN 0.303 nan 8.270 nan 0.000 0.457 219 V N 4.810 124.731 119.914 0.012 0.000 2.419 219 V HA 0.272 4.392 4.120 0.001 0.000 0.287 219 V C 0.315 176.388 176.094 -0.035 0.000 1.017 219 V CA -0.632 61.671 62.300 0.005 0.000 0.844 219 V CB 1.691 33.531 31.823 0.028 0.000 1.011 219 V HN 0.824 nan 8.190 nan 0.000 0.429 220 E N 1.901 122.084 120.200 -0.028 0.000 2.338 220 E HA -0.055 4.296 4.350 0.001 0.000 0.197 220 E C 0.307 176.874 176.600 -0.056 0.000 1.007 220 E CA 0.805 57.180 56.400 -0.041 0.000 0.849 220 E CB 0.258 29.949 29.700 -0.015 0.000 0.774 220 E HN 0.742 nan 8.360 nan 0.000 0.506 221 D N -0.801 119.567 120.400 -0.053 0.000 2.764 221 D HA 0.003 4.643 4.640 0.001 0.000 0.227 221 D C 0.441 176.691 176.300 -0.084 0.000 1.347 221 D CA -0.306 53.654 54.000 -0.067 0.000 0.953 221 D CB 1.575 42.362 40.800 -0.022 0.000 1.476 221 D HN -0.208 nan 8.370 nan 0.000 0.585 222 V N 4.513 124.348 119.914 -0.132 0.000 2.594 222 V HA -0.163 3.957 4.120 0.001 0.000 0.253 222 V C 1.311 177.317 176.094 -0.145 0.000 1.069 222 V CA 1.736 63.953 62.300 -0.138 0.000 1.082 222 V CB -0.333 31.381 31.823 -0.181 0.000 0.680 222 V HN 0.496 nan 8.190 nan 0.000 0.469 223 N N 0.563 119.161 118.700 -0.170 0.000 2.453 223 N HA -0.085 4.656 4.740 0.001 0.000 0.183 223 N C 0.655 176.119 175.510 -0.076 0.000 1.041 223 N CA 1.044 53.996 53.050 -0.165 0.000 0.900 223 N CB -0.370 38.007 38.487 -0.184 0.000 0.961 223 N HN 0.662 nan 8.380 nan 0.000 0.443 224 D N 0.554 120.926 120.400 -0.046 0.000 2.453 224 D HA 0.105 4.745 4.640 0.001 0.000 0.223 224 D C 0.960 177.260 176.300 -0.001 0.000 1.183 224 D CA -0.327 53.665 54.000 -0.012 0.000 0.933 224 D CB 0.259 41.058 40.800 -0.001 0.000 1.038 224 D HN -0.187 nan 8.370 nan 0.000 0.513 225 L N 2.940 124.171 121.223 0.014 0.000 2.079 225 L HA -0.122 4.219 4.340 0.001 0.000 0.210 225 L C 2.174 179.067 176.870 0.038 0.000 1.081 225 L CA 1.410 56.274 54.840 0.039 0.000 0.752 225 L CB -0.727 41.388 42.059 0.093 0.000 0.896 225 L HN 0.438 nan 8.230 nan 0.000 0.433 226 E N -0.250 119.972 120.200 0.037 0.000 2.038 226 E HA -0.195 4.155 4.350 0.001 0.000 0.195 226 E C 2.303 178.924 176.600 0.035 0.000 1.000 226 E CA 1.492 57.914 56.400 0.036 0.000 0.803 226 E CB -0.371 29.349 29.700 0.033 0.000 0.750 226 E HN 0.380 nan 8.360 nan 0.000 0.448 227 A N 0.369 123.208 122.820 0.031 0.000 1.917 227 A HA -0.201 4.120 4.320 0.001 0.000 0.219 227 A C 2.348 179.962 177.584 0.050 0.000 1.182 227 A CA 1.650 53.708 52.037 0.035 0.000 0.633 227 A CB -0.869 18.147 19.000 0.026 0.000 0.819 227 A HN 0.333 nan 8.150 nan 0.000 0.448 228 L N -1.106 120.145 121.223 0.047 0.000 2.083 228 L HA -0.201 4.140 4.340 0.001 0.000 0.209 228 L C 2.873 179.792 176.870 0.081 0.000 1.083 228 L CA 1.407 56.289 54.840 0.071 0.000 0.752 228 L CB -0.434 41.637 42.059 0.021 0.000 0.899 228 L HN 0.382 nan 8.230 nan 0.000 0.433 229 R N -0.121 120.409 120.500 0.049 0.000 2.096 229 R HA -0.140 4.201 4.340 0.001 0.000 0.235 229 R C 2.257 178.589 176.300 0.054 0.000 1.127 229 R CA 0.997 57.123 56.100 0.042 0.000 0.968 229 R CB -0.217 30.101 30.300 0.031 0.000 0.861 229 R HN 0.397 nan 8.270 nan 0.000 0.440 230 K N 0.765 121.198 120.400 0.055 0.000 1.973 230 K HA -0.089 4.231 4.320 0.001 0.000 0.212 230 K C 2.300 178.938 176.600 0.064 0.000 1.047 230 K CA 1.323 57.641 56.287 0.052 0.000 0.937 230 K CB -0.333 32.195 32.500 0.046 0.000 0.721 230 K HN 0.099 nan 8.250 nan 0.000 0.440 231 A N 2.106 124.976 122.820 0.083 0.000 1.870 231 A HA -0.257 4.063 4.320 0.001 0.000 0.219 231 A C 2.220 179.864 177.584 0.099 0.000 1.224 231 A CA 2.058 54.152 52.037 0.095 0.000 0.650 231 A CB -1.083 18.000 19.000 0.138 0.000 0.836 231 A HN 0.274 nan 8.150 nan 0.000 0.454 232 I N -0.564 120.097 120.570 0.151 0.000 2.113 232 I HA -0.370 3.801 4.170 0.001 0.000 0.242 232 I C 2.562 178.722 176.117 0.071 0.000 1.064 232 I CA 2.226 63.622 61.300 0.160 0.000 1.320 232 I CB -0.445 37.675 38.000 0.200 0.000 1.028 232 I HN 0.361 nan 8.210 nan 0.000 0.406 233 K N 0.667 121.097 120.400 0.049 0.000 2.057 233 K HA -0.148 4.172 4.320 0.001 0.000 0.207 233 K C 2.106 178.721 176.600 0.026 0.000 1.049 233 K CA 1.303 57.604 56.287 0.023 0.000 0.931 233 K CB -0.273 32.242 32.500 0.026 0.000 0.714 233 K HN 0.299 nan 8.250 nan 0.000 0.440 234 L N 0.639 121.884 121.223 0.035 0.000 2.012 234 L HA -0.222 4.118 4.340 0.001 0.000 0.210 234 L C 2.678 179.565 176.870 0.028 0.000 1.073 234 L CA 1.264 56.124 54.840 0.033 0.000 0.748 234 L CB -0.798 41.284 42.059 0.038 0.000 0.891 234 L HN 0.224 nan 8.230 nan 0.000 0.431 235 A N 0.439 123.275 122.820 0.027 0.000 1.873 235 A HA -0.260 4.060 4.320 0.001 0.000 0.218 235 A C 2.312 179.909 177.584 0.021 0.000 1.193 235 A CA 2.039 54.084 52.037 0.013 0.000 0.629 235 A CB -0.503 18.494 19.000 -0.006 0.000 0.826 235 A HN 0.357 nan 8.150 nan 0.000 0.447 236 K N -0.539 119.875 120.400 0.023 0.000 2.280 236 K HA -0.021 4.299 4.320 0.001 0.000 0.202 236 K C 1.692 178.342 176.600 0.083 0.000 1.047 236 K CA 1.127 57.461 56.287 0.078 0.000 0.942 236 K CB -0.326 32.156 32.500 -0.029 0.000 0.739 236 K HN 0.513 nan 8.250 nan 0.000 0.457 237 L N 0.458 121.708 121.223 0.044 0.000 2.240 237 L HA -0.020 4.320 4.340 0.001 0.000 0.211 237 L C 1.138 178.022 176.870 0.023 0.000 1.106 237 L CA 0.307 55.168 54.840 0.036 0.000 0.793 237 L CB -0.144 41.932 42.059 0.028 0.000 0.927 237 L HN 0.163 nan 8.230 nan 0.000 0.446 238 D N 1.007 121.417 120.400 0.016 0.000 2.350 238 D HA -0.040 4.601 4.640 0.001 0.000 0.249 238 D C 0.821 177.109 176.300 -0.020 0.000 1.119 238 D CA -0.019 53.981 54.000 0.001 0.000 0.886 238 D CB 1.488 42.290 40.800 0.003 0.000 1.195 238 D HN 0.342 nan 8.370 nan 0.000 0.437 239 E N 2.733 122.915 120.200 -0.030 0.000 2.427 239 E HA -0.037 4.313 4.350 0.001 0.000 0.196 239 E C 0.166 176.714 176.600 -0.087 0.000 1.028 239 E CA 0.324 56.691 56.400 -0.054 0.000 0.864 239 E CB 0.350 30.022 29.700 -0.047 0.000 0.813 239 E HN 0.261 nan 8.360 nan 0.000 0.514 240 R N 1.712 122.159 120.500 -0.088 0.000 2.596 240 R HA 0.344 4.684 4.340 0.001 0.000 0.267 240 R C -2.330 173.820 176.300 -0.250 0.000 1.026 240 R CA -2.299 53.713 56.100 -0.147 0.000 1.087 240 R CB 0.374 30.629 30.300 -0.075 0.000 1.132 240 R HN 0.054 nan 8.270 nan 0.000 0.531 241 P HA 0.070 nan 4.420 nan 0.000 0.274 241 P C -0.877 176.128 177.300 -0.492 0.000 1.231 241 P CA -0.139 62.481 63.100 -0.800 0.000 0.790 241 P CB 0.964 31.645 31.700 -1.699 0.000 0.951 242 T N 2.260 116.699 114.554 -0.193 0.000 2.861 242 T HA 0.436 4.786 4.350 0.001 0.000 0.287 242 T C -0.550 174.383 174.700 0.388 0.000 1.003 242 T CA -0.415 61.792 62.100 0.179 0.000 0.977 242 T CB 1.029 69.916 68.868 0.031 0.000 0.996 242 T HN 0.253 nan 8.240 nan 0.000 0.448 243 L N 4.241 125.701 121.223 0.395 0.000 2.298 243 L HA 0.647 4.987 4.340 0.001 0.000 0.284 243 L C -1.236 175.652 176.870 0.031 0.000 1.013 243 L CA -0.550 54.350 54.840 0.100 0.000 0.824 243 L CB 0.435 42.329 42.059 -0.274 0.000 1.221 243 L HN 0.644 nan 8.230 nan 0.000 0.418 244 I N 5.669 126.228 120.570 -0.020 0.000 2.328 244 I HA 0.474 4.644 4.170 0.001 0.000 0.287 244 I C 0.325 176.524 176.117 0.137 0.000 1.012 244 I CA -0.606 60.712 61.300 0.030 0.000 1.195 244 I CB 1.607 39.578 38.000 -0.049 0.000 1.350 244 I HN 0.790 nan 8.210 nan 0.000 0.464 245 A N 7.188 130.101 122.820 0.155 0.000 2.350 245 A HA 0.518 4.838 4.320 0.001 0.000 0.293 245 A C -0.204 177.350 177.584 -0.051 0.000 1.231 245 A CA -0.238 51.877 52.037 0.129 0.000 0.883 245 A CB 0.087 19.193 19.000 0.177 0.000 1.133 245 A HN 0.494 nan 8.150 nan 0.000 0.533 246 V N 5.038 124.873 119.914 -0.132 0.000 2.357 246 V HA 0.318 4.438 4.120 0.001 0.000 0.284 246 V C 0.444 176.371 176.094 -0.279 0.000 1.018 246 V CA -0.826 61.399 62.300 -0.125 0.000 0.841 246 V CB 1.139 32.962 31.823 -0.000 0.000 0.991 246 V HN 0.897 nan 8.190 nan 0.000 0.437 247 R N 3.379 123.728 120.500 -0.251 0.000 2.390 247 R HA 0.601 4.941 4.340 0.001 0.000 0.291 247 R C 0.088 176.208 176.300 -0.299 0.000 1.070 247 R CA 0.330 56.251 56.100 -0.299 0.000 1.014 247 R CB 1.492 31.648 30.300 -0.240 0.000 1.007 247 R HN 0.970 nan 8.270 nan 0.000 0.466 248 S N 2.778 118.262 115.700 -0.360 0.000 2.656 248 S HA 0.473 4.943 4.470 0.001 0.000 0.273 248 S C -1.353 172.983 174.600 -0.439 0.000 1.168 248 S CA -0.925 57.059 58.200 -0.360 0.000 0.817 248 S CB 1.895 64.967 63.200 -0.214 0.000 1.146 248 S HN 0.652 nan 8.310 nan 0.000 0.475 249 H N 0.752 119.845 119.070 0.039 0.000 2.646 249 H HA 0.462 5.018 4.556 0.001 0.000 0.328 249 H C -0.481 174.916 175.328 0.115 0.000 0.998 249 H CA -0.484 55.626 56.048 0.102 0.000 1.225 249 H CB 1.258 31.134 29.762 0.191 0.000 1.457 249 H HN 0.662 nan 8.280 nan 0.000 0.505 250 I N 1.682 122.358 120.570 0.177 0.000 2.752 250 I HA 0.033 4.203 4.170 0.001 0.000 0.287 250 I C 1.046 177.245 176.117 0.136 0.000 1.188 250 I CA 1.107 62.491 61.300 0.140 0.000 1.427 250 I CB 0.367 38.453 38.000 0.142 0.000 1.365 250 I HN 0.996 nan 8.210 nan 0.000 0.585 251 G N 6.036 114.894 108.800 0.097 0.000 2.249 251 G HA2 -0.347 3.613 3.960 0.001 0.000 0.273 251 G HA3 -0.347 3.613 3.960 0.001 0.000 0.273 251 G C 0.201 175.136 174.900 0.058 0.000 1.036 251 G CA 0.175 45.304 45.100 0.048 0.000 0.824 251 G HN 0.726 nan 8.290 nan 0.000 0.504 252 F N 0.820 120.755 119.950 -0.025 0.000 2.549 252 F HA 0.342 4.870 4.527 0.001 0.000 0.400 252 F C 1.495 177.257 175.800 -0.063 0.000 1.011 252 F CA 1.532 59.522 58.000 -0.017 0.000 1.148 252 F CB 0.089 39.090 39.000 0.001 0.000 0.993 252 F HN 1.127 nan 8.300 nan 0.000 0.540 253 G N 3.209 111.607 108.800 -0.670 0.000 2.194 253 G HA2 -0.226 3.735 3.960 0.001 0.000 0.236 253 G HA3 -0.226 3.735 3.960 0.001 0.000 0.236 253 G C 0.169 174.918 174.900 -0.251 0.000 0.987 253 G CA 0.154 44.924 45.100 -0.549 0.000 0.635 253 G HN 1.248 nan 8.290 nan 0.000 0.520 254 S N -0.305 115.288 115.700 -0.179 0.000 2.747 254 S HA 0.787 5.257 4.470 0.001 0.000 0.300 254 S C -1.296 173.253 174.600 -0.085 0.000 1.121 254 S CA -0.687 57.449 58.200 -0.107 0.000 0.995 254 S CB 2.629 65.776 63.200 -0.088 0.000 1.113 254 S HN -0.080 nan 8.310 nan 0.000 0.547 255 P HA 0.080 nan 4.420 nan 0.000 0.221 255 P C 0.496 177.777 177.300 -0.032 0.000 1.150 255 P CA 1.004 64.079 63.100 -0.042 0.000 0.800 255 P CB 0.014 31.698 31.700 -0.026 0.000 0.787 256 K N -0.348 120.036 120.400 -0.026 0.000 2.505 256 K HA 0.006 4.326 4.320 0.001 0.000 0.192 256 K C 0.900 177.501 176.600 0.001 0.000 1.025 256 K CA -0.097 56.185 56.287 -0.007 0.000 1.086 256 K CB -0.206 32.294 32.500 -0.000 0.000 0.840 256 K HN 0.294 nan 8.250 nan 0.000 0.514 257 Q N 1.681 121.469 119.800 -0.019 0.000 2.349 257 Q HA -0.138 4.202 4.340 0.001 0.000 0.287 257 Q C -0.579 175.435 176.000 0.024 0.000 1.044 257 Q CA 0.650 56.451 55.803 -0.004 0.000 0.918 257 Q CB 0.406 29.106 28.738 -0.064 0.000 1.242 257 Q HN 0.228 nan 8.270 nan 0.000 0.405 258 D N 1.142 121.587 120.400 0.074 0.000 2.772 258 D HA -0.170 4.471 4.640 0.001 0.000 0.233 258 D C -1.152 175.188 176.300 0.067 0.000 1.143 258 D CA 1.390 55.444 54.000 0.090 0.000 0.700 258 D CB -1.213 39.631 40.800 0.074 0.000 1.076 258 D HN 0.380 nan 8.370 nan 0.000 0.430 259 S N -1.893 113.846 115.700 0.067 0.000 2.546 259 S HA 0.675 5.145 4.470 0.001 0.000 0.274 259 S C 0.945 175.590 174.600 0.076 0.000 1.121 259 S CA 0.104 58.339 58.200 0.058 0.000 0.887 259 S CB 2.118 65.341 63.200 0.038 0.000 1.094 259 S HN 0.107 nan 8.310 nan 0.000 0.474 260 A N 3.875 126.736 122.820 0.067 0.000 1.972 260 A HA -0.016 4.304 4.320 0.001 0.000 0.219 260 A C 1.948 179.591 177.584 0.097 0.000 1.169 260 A CA 1.210 53.295 52.037 0.080 0.000 0.635 260 A CB -0.508 18.517 19.000 0.041 0.000 0.810 260 A HN 0.797 nan 8.150 nan 0.000 0.446 261 K N -0.001 120.437 120.400 0.064 0.000 2.228 261 K HA -0.168 4.152 4.320 0.001 0.000 0.205 261 K C 1.875 178.509 176.600 0.057 0.000 1.045 261 K CA 1.358 57.676 56.287 0.051 0.000 0.931 261 K CB -0.570 31.948 32.500 0.031 0.000 0.727 261 K HN 0.512 nan 8.250 nan 0.000 0.458 262 A N 0.613 123.477 122.820 0.073 0.000 2.208 262 A HA -0.097 4.224 4.320 0.001 0.000 0.209 262 A C 1.915 179.555 177.584 0.094 0.000 1.161 262 A CA 0.523 52.597 52.037 0.063 0.000 0.782 262 A CB -0.439 18.594 19.000 0.056 0.000 0.816 262 A HN 0.317 nan 8.150 nan 0.000 0.477 263 H N -0.058 119.048 119.070 0.061 0.000 2.317 263 H HA 0.014 4.570 4.556 0.001 0.000 0.304 263 H C 1.541 176.929 175.328 0.099 0.000 1.067 263 H CA 1.823 57.941 56.048 0.117 0.000 1.352 263 H CB 0.097 29.933 29.762 0.123 0.000 1.398 263 H HN 0.370 nan 8.280 nan 0.000 0.510 264 G N 0.647 109.487 108.800 0.066 0.000 4.144 264 G HA2 0.217 4.178 3.960 0.001 0.000 0.297 264 G HA3 0.217 4.178 3.960 0.001 0.000 0.297 264 G C -0.784 173.981 174.900 -0.225 0.000 1.090 264 G CA -0.249 44.700 45.100 -0.252 0.000 0.870 264 G HN 0.576 nan 8.290 nan 0.000 0.532 265 E N -0.332 119.795 120.200 -0.122 0.000 2.412 265 E HA 0.481 4.831 4.350 0.001 0.000 0.279 265 E C -3.217 173.359 176.600 -0.040 0.000 0.984 265 E CA -2.287 54.071 56.400 -0.070 0.000 0.788 265 E CB 1.577 31.261 29.700 -0.026 0.000 1.277 265 E HN -0.143 nan 8.360 nan 0.000 0.455 266 P HA -0.004 nan 4.420 nan 0.000 0.267 266 P C 0.511 177.807 177.300 -0.005 0.000 1.200 266 P CA -0.027 63.073 63.100 0.001 0.000 0.772 266 P CB 0.565 32.277 31.700 0.020 0.000 0.855 267 L N 1.199 122.414 121.223 -0.012 0.000 2.093 267 L HA 0.045 4.385 4.340 0.001 0.000 0.208 267 L C 1.156 178.026 176.870 -0.001 0.000 1.085 267 L CA 1.366 56.197 54.840 -0.015 0.000 0.755 267 L CB -1.030 41.008 42.059 -0.034 0.000 0.904 267 L HN 0.748 nan 8.230 nan 0.000 0.435 268 G N -1.405 107.400 108.800 0.008 0.000 2.788 268 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 268 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 268 G C -2.207 172.706 174.900 0.021 0.000 1.147 268 G CA -0.599 44.510 45.100 0.016 0.000 0.755 268 G HN -0.067 nan 8.290 nan 0.000 0.634 269 P HA -0.186 nan 4.420 nan 0.000 0.219 269 P C 1.616 178.935 177.300 0.032 0.000 1.161 269 P CA 1.978 65.099 63.100 0.034 0.000 0.909 269 P CB 0.168 31.888 31.700 0.033 0.000 0.793 270 E N -0.818 119.396 120.200 0.023 0.000 2.023 270 E HA -0.224 4.126 4.350 0.001 0.000 0.196 270 E C 2.018 178.630 176.600 0.019 0.000 1.003 270 E CA 1.397 57.809 56.400 0.020 0.000 0.809 270 E CB -0.642 29.066 29.700 0.013 0.000 0.755 270 E HN 0.063 nan 8.360 nan 0.000 0.449 271 A N 0.481 123.309 122.820 0.012 0.000 1.940 271 A HA -0.169 4.152 4.320 0.001 0.000 0.219 271 A C 2.402 179.993 177.584 0.013 0.000 1.176 271 A CA 1.663 53.702 52.037 0.004 0.000 0.631 271 A CB -0.695 18.301 19.000 -0.007 0.000 0.814 271 A HN 0.249 nan 8.150 nan 0.000 0.446 272 V N 0.145 120.075 119.914 0.026 0.000 2.307 272 V HA -0.202 3.919 4.120 0.001 0.000 0.245 272 V C 2.531 178.691 176.094 0.110 0.000 1.045 272 V CA 2.027 64.361 62.300 0.058 0.000 1.024 272 V CB -0.740 31.120 31.823 0.062 0.000 0.651 272 V HN 0.525 nan 8.190 nan 0.000 0.449 273 E N 0.449 120.698 120.200 0.083 0.000 2.118 273 E HA -0.206 4.145 4.350 0.001 0.000 0.195 273 E C 2.344 178.990 176.600 0.077 0.000 0.992 273 E CA 1.530 57.979 56.400 0.082 0.000 0.804 273 E CB -0.452 29.279 29.700 0.051 0.000 0.741 273 E HN 0.580 nan 8.360 nan 0.000 0.458 274 A N 0.796 123.649 122.820 0.054 0.000 1.933 274 A HA -0.135 4.185 4.320 0.001 0.000 0.218 274 A C 2.422 180.039 177.584 0.055 0.000 1.175 274 A CA 1.930 53.989 52.037 0.037 0.000 0.628 274 A CB -0.691 18.316 19.000 0.012 0.000 0.814 274 A HN 0.223 nan 8.150 nan 0.000 0.444 275 T N -0.305 114.296 114.554 0.079 0.000 2.812 275 T HA -0.091 4.260 4.350 0.001 0.000 0.264 275 T C 2.014 176.906 174.700 0.319 0.000 1.042 275 T CA 1.298 63.463 62.100 0.109 0.000 1.140 275 T CB -0.228 68.644 68.868 0.006 0.000 0.870 275 T HN 0.511 nan 8.240 nan 0.000 0.445 276 R N 0.775 121.520 120.500 0.408 0.000 2.127 276 R HA -0.030 4.310 4.340 0.001 0.000 0.238 276 R C 2.665 179.075 176.300 0.182 0.000 1.134 276 R CA 1.118 57.428 56.100 0.349 0.000 0.975 276 R CB -0.235 30.190 30.300 0.209 0.000 0.865 276 R HN 0.309 nan 8.270 nan 0.000 0.447 277 R N 0.931 121.507 120.500 0.127 0.000 2.062 277 R HA -0.094 4.247 4.340 0.001 0.000 0.231 277 R C 1.705 178.043 176.300 0.064 0.000 1.136 277 R CA 1.621 57.760 56.100 0.064 0.000 0.948 277 R CB -0.109 30.214 30.300 0.040 0.000 0.845 277 R HN 0.189 nan 8.270 nan 0.000 0.430 278 N N 0.754 119.492 118.700 0.062 0.000 2.223 278 N HA -0.145 4.595 4.740 0.001 0.000 0.185 278 N C 1.543 177.084 175.510 0.052 0.000 1.016 278 N CA 1.172 54.236 53.050 0.024 0.000 0.863 278 N CB -0.068 38.399 38.487 -0.033 0.000 0.983 278 N HN 0.338 nan 8.380 nan 0.000 0.429 279 L N -0.609 120.700 121.223 0.144 0.000 2.607 279 L HA 0.266 4.607 4.340 0.001 0.000 0.228 279 L C 0.778 177.771 176.870 0.204 0.000 1.123 279 L CA -0.098 54.862 54.840 0.200 0.000 0.890 279 L CB -0.270 42.000 42.059 0.350 0.000 1.103 279 L HN 0.083 nan 8.230 nan 0.000 0.468 280 G N 0.251 109.136 108.800 0.142 0.000 2.314 280 G HA2 -0.288 3.672 3.960 0.001 0.000 0.292 280 G HA3 -0.288 3.672 3.960 0.001 0.000 0.292 280 G C -0.222 174.744 174.900 0.110 0.000 1.059 280 G CA -0.107 45.045 45.100 0.087 0.000 0.982 280 G HN 0.538 nan 8.290 nan 0.000 0.505 281 W N 1.917 123.106 121.300 -0.185 0.000 2.309 281 W HA 0.481 5.142 4.660 0.001 0.000 0.332 281 W C -1.747 174.547 176.519 -0.375 0.000 0.962 281 W CA -2.248 54.891 57.345 -0.343 0.000 1.497 281 W CB 1.626 30.524 29.460 -0.938 0.000 1.308 281 W HN 0.210 nan 8.180 nan 0.000 0.384 282 P HA -0.042 nan 4.420 nan 0.000 0.253 282 P C -0.638 176.154 177.300 -0.847 0.000 1.281 282 P CA 0.442 63.145 63.100 -0.662 0.000 0.792 282 P CB -0.064 31.250 31.700 -0.644 0.000 1.193 283 Y N 2.464 122.300 120.300 -0.774 0.000 2.308 283 Y HA 0.343 4.893 4.550 0.001 0.000 0.329 283 Y C -1.497 174.294 175.900 -0.181 0.000 1.111 283 Y CA -2.984 54.781 58.100 -0.558 0.000 1.179 283 Y CB 0.098 38.035 38.460 -0.871 0.000 1.201 283 Y HN -0.024 nan 8.280 nan 0.000 0.483 284 P HA 0.113 nan 4.420 nan 0.000 0.273 284 P C -2.679 174.741 177.300 0.199 0.000 1.250 284 P CA -1.638 61.535 63.100 0.121 0.000 0.793 284 P CB 0.200 31.961 31.700 0.101 0.000 1.011 285 P HA -0.041 nan 4.420 nan 0.000 0.261 285 P C -0.185 177.240 177.300 0.209 0.000 1.173 285 P CA 0.754 63.897 63.100 0.072 0.000 0.760 285 P CB -0.446 31.298 31.700 0.074 0.000 0.783 286 F N -0.620 119.444 119.950 0.190 0.000 2.825 286 F HA -0.210 4.317 4.527 0.001 0.000 0.358 286 F C 0.364 176.277 175.800 0.188 0.000 0.639 286 F CA 0.392 58.484 58.000 0.153 0.000 1.153 286 F CB -2.083 36.976 39.000 0.099 0.000 1.610 286 F HN 0.063 nan 8.300 nan 0.000 0.305 287 V N 1.704 121.818 119.914 0.332 0.000 2.370 287 V HA 0.585 4.705 4.120 0.001 0.000 0.279 287 V C 0.207 176.430 176.094 0.215 0.000 1.029 287 V CA -0.824 61.640 62.300 0.275 0.000 0.870 287 V CB 1.725 33.682 31.823 0.225 0.000 0.984 287 V HN -0.054 nan 8.190 nan 0.000 0.451 288 V N 7.782 127.815 119.914 0.197 0.000 2.487 288 V HA 0.440 4.560 4.120 0.001 0.000 0.298 288 V C -2.079 173.986 176.094 -0.049 0.000 1.028 288 V CA -1.849 60.460 62.300 0.014 0.000 0.860 288 V CB 2.165 33.922 31.823 -0.110 0.000 0.991 288 V HN 0.742 nan 8.190 nan 0.000 0.427 289 P HA 0.032 nan 4.420 nan 0.000 0.266 289 P C 0.571 177.904 177.300 0.056 0.000 1.193 289 P CA 0.102 63.069 63.100 -0.223 0.000 0.770 289 P CB 1.173 32.615 31.700 -0.429 0.000 0.836 290 E N 1.968 122.243 120.200 0.124 0.000 2.209 290 E HA -0.201 4.149 4.350 0.001 0.000 0.196 290 E C 1.421 178.114 176.600 0.154 0.000 0.993 290 E CA 1.503 58.017 56.400 0.189 0.000 0.819 290 E CB -0.085 29.673 29.700 0.097 0.000 0.745 290 E HN 0.444 nan 8.360 nan 0.000 0.477 291 E N -0.272 119.974 120.200 0.077 0.000 2.051 291 E HA -0.133 4.218 4.350 0.001 0.000 0.192 291 E C 2.234 178.897 176.600 0.105 0.000 0.991 291 E CA 1.049 57.489 56.400 0.066 0.000 0.799 291 E CB -0.389 29.322 29.700 0.019 0.000 0.748 291 E HN 0.065 nan 8.360 nan 0.000 0.449 292 V N 0.330 120.280 119.914 0.060 0.000 2.237 292 V HA -0.296 3.824 4.120 0.001 0.000 0.245 292 V C 1.851 177.978 176.094 0.055 0.000 1.046 292 V CA 1.912 64.245 62.300 0.055 0.000 1.007 292 V CB -0.709 31.065 31.823 -0.082 0.000 0.638 292 V HN 0.240 nan 8.190 nan 0.000 0.445 293 Y N 0.649 120.985 120.300 0.060 0.000 2.069 293 Y HA -0.247 4.303 4.550 0.001 0.000 0.278 293 Y C 2.794 178.713 175.900 0.032 0.000 1.175 293 Y CA 1.827 59.942 58.100 0.026 0.000 1.134 293 Y CB -0.475 37.989 38.460 0.007 0.000 0.965 293 Y HN 0.094 nan 8.280 nan 0.000 0.498 294 R N -0.492 120.137 120.500 0.216 0.000 2.120 294 R HA -0.109 4.232 4.340 0.001 0.000 0.234 294 R C 0.924 177.314 176.300 0.149 0.000 1.123 294 R CA 1.001 57.185 56.100 0.140 0.000 0.975 294 R CB -1.331 29.034 30.300 0.110 0.000 0.866 294 R HN 0.409 nan 8.270 nan 0.000 0.446 300 E N 1.507 121.589 120.200 -0.198 0.000 2.028 300 E HA -0.022 4.328 4.350 0.001 0.000 0.190 300 E C 1.175 177.567 176.600 -0.346 0.000 0.984 300 E CA 1.500 57.766 56.400 -0.224 0.000 0.800 300 E CB 0.230 29.820 29.700 -0.183 0.000 0.758 300 E HN 0.136 nan 8.360 nan 0.000 0.448 301 K N -0.608 119.509 120.400 -0.472 0.000 2.152 301 K HA -0.084 4.236 4.320 0.001 0.000 0.206 301 K C 2.076 178.076 176.600 -0.999 0.000 1.048 301 K CA 1.084 56.843 56.287 -0.880 0.000 0.933 301 K CB -0.244 31.624 32.500 -1.053 0.000 0.721 301 K HN 0.200 nan 8.250 nan 0.000 0.447 302 G N 1.455 109.944 108.800 -0.519 0.000 2.404 302 G HA2 -0.263 3.697 3.960 0.001 0.000 0.214 302 G HA3 -0.263 3.697 3.960 0.001 0.000 0.214 302 G C 1.495 176.233 174.900 -0.270 0.000 1.189 302 G CA 0.516 45.480 45.100 -0.227 0.000 0.789 302 G HN 0.216 nan 8.290 nan 0.000 0.533 303 R N 0.576 120.918 120.500 -0.263 0.000 2.120 303 R HA 0.033 4.373 4.340 0.001 0.000 0.234 303 R C 2.722 178.890 176.300 -0.221 0.000 1.123 303 R CA 1.472 57.440 56.100 -0.220 0.000 0.975 303 R CB -0.298 29.900 30.300 -0.170 0.000 0.866 303 R HN 0.303 nan 8.270 nan 0.000 0.446 304 A N 0.282 122.935 122.820 -0.278 0.000 1.872 304 A HA -0.136 4.184 4.320 0.001 0.000 0.214 304 A C 1.746 179.240 177.584 -0.150 0.000 1.187 304 A CA 0.978 52.869 52.037 -0.244 0.000 0.614 304 A CB -0.809 17.977 19.000 -0.357 0.000 0.826 304 A HN 0.482 nan 8.150 nan 0.000 0.442 305 W N -0.009 121.145 121.300 -0.244 0.000 2.355 305 W HA -0.150 4.511 4.660 0.001 0.000 0.309 305 W C 2.532 178.759 176.519 -0.486 0.000 1.206 305 W CA 1.328 58.498 57.345 -0.291 0.000 1.284 305 W CB -1.127 28.118 29.460 -0.359 0.000 1.145 305 W HN 0.611 nan 8.180 nan 0.000 0.502 306 Q N 0.802 120.258 119.800 -0.573 0.000 2.079 306 Q HA -0.224 4.116 4.340 0.001 0.000 0.200 306 Q C 2.171 178.104 176.000 -0.112 0.000 0.974 306 Q CA 2.450 57.829 55.803 -0.706 0.000 0.840 306 Q CB -0.205 28.092 28.738 -0.734 0.000 0.898 306 Q HN 0.466 nan 8.270 nan 0.000 0.430 307 E N -0.348 119.804 120.200 -0.081 0.000 2.110 307 E HA -0.193 4.157 4.350 0.001 0.000 0.193 307 E C 1.839 178.483 176.600 0.074 0.000 0.988 307 E CA 1.133 57.536 56.400 0.004 0.000 0.804 307 E CB -0.361 29.320 29.700 -0.031 0.000 0.745 307 E HN 0.371 nan 8.360 nan 0.000 0.458 308 A N 0.970 123.852 122.820 0.103 0.000 1.902 308 A HA -0.157 4.164 4.320 0.001 0.000 0.217 308 A C 1.931 179.655 177.584 0.233 0.000 1.181 308 A CA 1.297 53.428 52.037 0.156 0.000 0.623 308 A CB -1.207 17.912 19.000 0.197 0.000 0.818 308 A HN 0.642 nan 8.150 nan 0.000 0.443 309 W N 0.997 122.382 121.300 0.141 0.000 2.388 309 W HA -0.099 4.561 4.660 0.001 0.000 0.294 309 W C 1.955 178.581 176.519 0.178 0.000 1.212 309 W CA 1.674 59.157 57.345 0.230 0.000 1.271 309 W CB -0.034 29.698 29.460 0.454 0.000 1.126 309 W HN 0.488 nan 8.180 nan 0.000 0.535 310 E N -0.078 120.270 120.200 0.245 0.000 2.110 310 E HA -0.234 4.116 4.350 0.001 0.000 0.193 310 E C 2.024 178.613 176.600 -0.018 0.000 0.988 310 E CA 1.431 57.883 56.400 0.088 0.000 0.804 310 E CB -0.217 29.558 29.700 0.125 0.000 0.745 310 E HN 0.322 nan 8.360 nan 0.000 0.458 311 K N 0.296 120.706 120.400 0.016 0.000 2.155 311 K HA -0.017 4.303 4.320 0.001 0.000 0.203 311 K C 2.169 178.765 176.600 -0.007 0.000 1.052 311 K CA 0.794 57.085 56.287 0.006 0.000 0.948 311 K CB -0.000 32.516 32.500 0.027 0.000 0.728 311 K HN 0.022 nan 8.250 nan 0.000 0.448 312 A N 1.475 124.279 122.820 -0.026 0.000 1.933 312 A HA -0.119 4.201 4.320 0.001 0.000 0.218 312 A C 2.009 179.580 177.584 -0.022 0.000 1.175 312 A CA 1.061 53.095 52.037 -0.005 0.000 0.628 312 A CB -0.354 18.627 19.000 -0.031 0.000 0.814 312 A HN 0.097 nan 8.150 nan 0.000 0.444 313 L N -0.171 120.920 121.223 -0.220 0.000 2.156 313 L HA -0.094 4.247 4.340 0.001 0.000 0.208 313 L C 2.430 179.237 176.870 -0.105 0.000 1.095 313 L CA 1.404 56.146 54.840 -0.164 0.000 0.770 313 L CB -1.252 40.592 42.059 -0.359 0.000 0.914 313 L HN 0.439 nan 8.230 nan 0.000 0.439 314 E N 0.127 120.267 120.200 -0.099 0.000 2.051 314 E HA -0.160 4.191 4.350 0.001 0.000 0.192 314 E C 2.251 178.789 176.600 -0.102 0.000 0.991 314 E CA 1.340 57.668 56.400 -0.121 0.000 0.799 314 E CB -0.071 29.596 29.700 -0.055 0.000 0.748 314 E HN 0.398 nan 8.360 nan 0.000 0.449 315 A N 0.962 123.794 122.820 0.021 0.000 1.858 315 A HA -0.222 4.098 4.320 0.001 0.000 0.216 315 A C 2.190 179.832 177.584 0.096 0.000 1.190 315 A CA 1.584 53.704 52.037 0.138 0.000 0.617 315 A CB -1.067 18.112 19.000 0.299 0.000 0.827 315 A HN 0.319 nan 8.150 nan 0.000 0.443 316 Y N 0.886 121.127 120.300 -0.099 0.000 2.102 316 Y HA -0.249 4.301 4.550 0.001 0.000 0.280 316 Y C 2.689 178.413 175.900 -0.294 0.000 1.178 316 Y CA 1.468 59.311 58.100 -0.430 0.000 1.146 316 Y CB -0.737 37.623 38.460 -0.166 0.000 0.968 316 Y HN 0.326 nan 8.280 nan 0.000 0.504 317 A N 0.516 123.073 122.820 -0.438 0.000 1.917 317 A HA -0.229 4.091 4.320 0.001 0.000 0.219 317 A C 2.249 179.616 177.584 -0.361 0.000 1.182 317 A CA 2.019 53.668 52.037 -0.646 0.000 0.633 317 A CB -0.494 17.905 19.000 -1.001 0.000 0.819 317 A HN 0.424 nan 8.150 nan 0.000 0.448 318 R N -0.719 119.616 120.500 -0.275 0.000 2.153 318 R HA 0.129 4.470 4.340 0.001 0.000 0.218 318 R C 2.059 178.212 176.300 -0.246 0.000 1.072 318 R CA 1.199 57.178 56.100 -0.201 0.000 0.990 318 R CB -0.988 29.235 30.300 -0.128 0.000 0.889 318 R HN 0.531 nan 8.270 nan 0.000 0.452 319 A N -0.784 121.835 122.820 -0.334 0.000 2.147 319 A HA 0.079 4.399 4.320 0.001 0.000 0.211 319 A C -0.079 176.940 177.584 -0.942 0.000 1.160 319 A CA 0.470 52.191 52.037 -0.526 0.000 0.781 319 A CB 0.245 19.008 19.000 -0.396 0.000 0.842 319 A HN 0.232 nan 8.150 nan 0.000 0.475 320 Y N -1.594 118.428 120.300 -0.464 0.000 2.529 320 Y HA 0.289 4.839 4.550 0.001 0.000 0.319 320 Y C -2.298 173.361 175.900 -0.402 0.000 1.063 320 Y CA -2.052 55.765 58.100 -0.472 0.000 1.178 320 Y CB 0.683 38.692 38.460 -0.752 0.000 1.123 320 Y HN 0.097 nan 8.280 nan 0.000 0.625 321 P HA -0.196 nan 4.420 nan 0.000 0.215 321 P C 1.061 178.351 177.300 -0.017 0.000 1.163 321 P CA 1.983 65.035 63.100 -0.080 0.000 0.894 321 P CB 0.521 32.178 31.700 -0.071 0.000 0.791 322 D N -1.582 118.818 120.400 -0.000 0.000 2.178 322 D HA -0.081 4.560 4.640 0.001 0.000 0.202 322 D C 1.843 178.172 176.300 0.049 0.000 0.974 322 D CA 0.981 54.999 54.000 0.029 0.000 0.841 322 D CB -0.622 40.204 40.800 0.044 0.000 0.953 322 D HN 0.081 nan 8.370 nan 0.000 0.478 323 L N -0.231 121.021 121.223 0.048 0.000 2.068 323 L HA -0.071 4.269 4.340 0.001 0.000 0.204 323 L C 2.279 179.181 176.870 0.053 0.000 1.076 323 L CA 1.275 56.186 54.840 0.118 0.000 0.753 323 L CB -0.910 41.251 42.059 0.169 0.000 0.910 323 L HN 0.089 nan 8.230 nan 0.000 0.439 324 H N 0.276 119.278 119.070 -0.113 0.000 2.319 324 H HA -0.249 4.307 4.556 0.001 0.000 0.297 324 H C 2.261 177.564 175.328 -0.041 0.000 1.097 324 H CA 2.350 58.401 56.048 0.005 0.000 1.285 324 H CB -0.021 29.685 29.762 -0.094 0.000 1.368 324 H HN 0.520 nan 8.280 nan 0.000 0.495 325 Q N -0.071 119.706 119.800 -0.039 0.000 2.061 325 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 325 Q C 2.041 177.959 176.000 -0.136 0.000 0.984 325 Q CA 1.675 57.428 55.803 -0.084 0.000 0.846 325 Q CB -0.216 28.517 28.738 -0.007 0.000 0.902 325 Q HN 0.410 nan 8.270 nan 0.000 0.421 326 E N 0.729 120.864 120.200 -0.108 0.000 2.085 326 E HA -0.111 4.239 4.350 0.001 0.000 0.194 326 E C 1.105 177.543 176.600 -0.271 0.000 0.994 326 E CA 0.374 56.703 56.400 -0.119 0.000 0.801 326 E CB -0.408 29.287 29.700 -0.008 0.000 0.743 326 E HN 0.301 nan 8.360 nan 0.000 0.453 330 R N 0.604 121.043 120.500 -0.103 0.000 2.075 330 R HA 0.101 4.442 4.340 0.001 0.000 0.226 330 R C 1.746 177.999 176.300 -0.079 0.000 1.114 330 R CA 1.061 57.107 56.100 -0.090 0.000 0.972 330 R CB -0.061 30.164 30.300 -0.125 0.000 0.869 330 R HN 0.032 nan 8.270 nan 0.000 0.437 331 L N 0.858 122.027 121.223 -0.089 0.000 2.265 331 L HA -0.104 4.236 4.340 0.001 0.000 0.215 331 L C 1.531 178.386 176.870 -0.025 0.000 1.117 331 L CA 1.650 56.462 54.840 -0.047 0.000 0.782 331 L CB -0.237 41.812 42.059 -0.017 0.000 0.914 331 L HN 0.042 nan 8.230 nan 0.000 0.441 332 R N -1.096 119.388 120.500 -0.028 0.000 2.388 332 R HA 0.262 4.602 4.340 0.001 0.000 0.247 332 R C 1.312 177.606 176.300 -0.009 0.000 0.931 332 R CA 0.551 56.644 56.100 -0.011 0.000 1.082 332 R CB -0.002 30.292 30.300 -0.011 0.000 1.135 332 R HN 0.319 nan 8.270 nan 0.000 0.525 333 G N 1.644 110.436 108.800 -0.013 0.000 2.180 333 G HA2 -0.353 3.607 3.960 0.001 0.000 0.263 333 G HA3 -0.353 3.607 3.960 0.001 0.000 0.263 333 G C -0.178 174.721 174.900 -0.001 0.000 0.989 333 G CA 0.250 45.348 45.100 -0.003 0.000 0.692 333 G HN 0.445 nan 8.290 nan 0.000 0.526 334 E N -0.447 119.748 120.200 -0.007 0.000 2.417 334 E HA 0.318 4.669 4.350 0.001 0.000 0.261 334 E C 0.197 176.800 176.600 0.004 0.000 1.000 334 E CA -0.416 55.982 56.400 -0.003 0.000 0.919 334 E CB 0.762 30.456 29.700 -0.011 0.000 0.955 334 E HN 0.211 nan 8.360 nan 0.000 0.455 335 L N 6.953 128.183 121.223 0.012 0.000 2.276 335 L HA 0.325 4.666 4.340 0.001 0.000 0.286 335 L C -2.046 174.837 176.870 0.022 0.000 1.061 335 L CA -1.908 52.945 54.840 0.021 0.000 0.807 335 L CB 0.627 42.701 42.059 0.025 0.000 1.177 335 L HN 0.402 nan 8.230 nan 0.000 0.429 336 P HA 0.262 nan 4.420 nan 0.000 0.274 336 P C -2.801 174.518 177.300 0.032 0.000 1.246 336 P CA -1.343 61.773 63.100 0.027 0.000 0.795 336 P CB -0.290 31.428 31.700 0.030 0.000 1.006 337 P HA 0.115 nan 4.420 nan 0.000 0.267 337 P C -0.660 176.668 177.300 0.048 0.000 1.209 337 P CA 0.243 63.366 63.100 0.038 0.000 0.763 337 P CB 0.397 32.118 31.700 0.035 0.000 0.816 338 L N 5.641 126.899 121.223 0.058 0.000 2.334 338 L HA 0.482 4.823 4.340 0.001 0.000 0.272 338 L C -1.827 175.106 176.870 0.106 0.000 1.020 338 L CA -2.414 52.471 54.840 0.074 0.000 0.812 338 L CB 0.708 42.807 42.059 0.065 0.000 1.264 338 L HN 0.321 nan 8.230 nan 0.000 0.439 339 P HA 0.195 nan 4.420 nan 0.000 0.281 339 P C -0.302 177.180 177.300 0.303 0.000 1.286 339 P CA -0.188 63.014 63.100 0.169 0.000 0.772 339 P CB 0.728 32.510 31.700 0.136 0.000 0.862 340 E N 1.248 121.610 120.200 0.269 0.000 2.403 340 E HA 0.013 4.364 4.350 0.001 0.000 0.188 340 E C 0.342 177.214 176.600 0.453 0.000 1.056 340 E CA 0.051 56.685 56.400 0.391 0.000 0.892 340 E CB 0.418 30.281 29.700 0.271 0.000 1.049 340 E HN 0.552 nan 8.360 nan 0.000 0.465 341 E N 2.666 123.014 120.200 0.248 0.000 2.134 341 E HA 0.170 4.520 4.350 0.001 0.000 0.278 341 E C -2.409 173.949 176.600 -0.403 0.000 0.959 341 E CA -2.658 53.764 56.400 0.036 0.000 0.783 341 E CB 1.152 30.854 29.700 0.004 0.000 1.095 341 E HN -0.095 nan 8.360 nan 0.000 0.399 342 P HA 0.162 nan 4.420 nan 0.000 0.272 342 P C -2.507 174.477 177.300 -0.527 0.000 1.223 342 P CA -1.209 61.154 63.100 -1.228 0.000 0.784 342 P CB 0.368 31.791 31.700 -0.462 0.000 0.923 343 P HA 0.053 nan 4.420 nan 0.000 0.271 343 P C -0.243 176.819 177.300 -0.396 0.000 1.244 343 P CA -0.012 62.825 63.100 -0.438 0.000 0.793 343 P CB 0.360 31.730 31.700 -0.550 0.000 0.984 344 S N 0.215 115.673 115.700 -0.404 0.000 2.537 344 S HA 0.493 4.963 4.470 0.001 0.000 0.275 344 S C -0.411 173.893 174.600 -0.494 0.000 1.272 344 S CA -0.114 57.955 58.200 -0.219 0.000 1.050 344 S CB -0.388 62.748 63.200 -0.105 0.000 0.961 344 S HN 0.233 nan 8.310 nan 0.000 0.496 345 F N 1.910 121.850 119.950 -0.016 0.000 2.520 345 F HA 0.355 4.882 4.527 0.001 0.000 0.322 345 F C 0.933 176.735 175.800 0.002 0.000 1.103 345 F CA -0.896 57.051 58.000 -0.087 0.000 0.926 345 F CB 1.654 40.485 39.000 -0.281 0.000 1.154 345 F HN 0.548 nan 8.300 nan 0.000 0.453 346 D N 0.577 121.068 120.400 0.151 0.000 2.725 346 D HA 0.078 4.718 4.640 0.001 0.000 0.269 346 D C -0.120 176.235 176.300 0.091 0.000 1.018 346 D CA 0.512 54.574 54.000 0.104 0.000 0.956 346 D CB -0.024 40.807 40.800 0.052 0.000 1.141 346 D HN 0.331 nan 8.370 nan 0.000 0.478 347 K N 0.892 121.338 120.400 0.077 0.000 2.123 347 K HA 0.507 4.828 4.320 0.001 0.000 0.259 347 K C -2.639 173.982 176.600 0.035 0.000 0.960 347 K CA -2.012 54.304 56.287 0.048 0.000 0.872 347 K CB 1.436 33.956 32.500 0.033 0.000 1.079 347 K HN -0.078 nan 8.250 nan 0.000 0.440 348 P HA -0.054 nan 4.420 nan 0.000 0.264 348 P C -0.685 176.590 177.300 -0.041 0.000 1.183 348 P CA 0.246 63.322 63.100 -0.040 0.000 0.763 348 P CB 0.321 31.988 31.700 -0.055 0.000 0.807 349 I N -1.227 119.297 120.570 -0.076 0.000 3.006 349 I HA 0.732 4.903 4.170 0.001 0.000 0.306 349 I C -0.914 175.145 176.117 -0.097 0.000 1.250 349 I CA -1.891 59.373 61.300 -0.060 0.000 0.996 349 I CB 1.252 39.250 38.000 -0.003 0.000 1.261 349 I HN 0.288 nan 8.210 nan 0.000 0.442 350 A N 2.141 124.915 122.820 -0.076 0.000 2.407 350 A HA 0.465 4.786 4.320 0.001 0.000 0.248 350 A C 1.341 178.891 177.584 -0.057 0.000 1.082 350 A CA 0.420 52.405 52.037 -0.087 0.000 0.785 350 A CB -0.142 18.809 19.000 -0.082 0.000 1.020 350 A HN 1.014 nan 8.150 nan 0.000 0.489 351 T N -0.604 113.920 114.554 -0.049 0.000 3.035 351 T HA -0.160 4.191 4.350 0.001 0.000 0.268 351 T C 1.541 176.273 174.700 0.053 0.000 1.109 351 T CA 1.221 63.312 62.100 -0.015 0.000 1.119 351 T CB -0.348 68.520 68.868 -0.001 0.000 0.900 351 T HN 0.837 nan 8.240 nan 0.000 0.503 352 R N 1.524 122.061 120.500 0.062 0.000 2.115 352 R HA 0.300 4.641 4.340 0.001 0.000 0.226 352 R C 2.495 178.874 176.300 0.132 0.000 1.100 352 R CA 1.092 57.267 56.100 0.125 0.000 0.980 352 R CB -0.675 29.714 30.300 0.149 0.000 0.875 352 R HN 0.393 nan 8.270 nan 0.000 0.445 353 A N 1.232 124.108 122.820 0.094 0.000 1.975 353 A HA 0.278 4.599 4.320 0.001 0.000 0.215 353 A C 2.358 180.025 177.584 0.139 0.000 1.170 353 A CA 0.765 52.863 52.037 0.102 0.000 0.656 353 A CB -0.305 18.739 19.000 0.074 0.000 0.821 353 A HN 0.472 nan 8.150 nan 0.000 0.449 354 A N -0.665 122.227 122.820 0.120 0.000 2.066 354 A HA -0.009 4.312 4.320 0.001 0.000 0.218 354 A C 2.333 180.060 177.584 0.237 0.000 1.157 354 A CA 1.801 53.940 52.037 0.169 0.000 0.670 354 A CB -0.598 18.306 19.000 -0.159 0.000 0.804 354 A HN 0.502 nan 8.150 nan 0.000 0.453 355 S N -0.506 115.331 115.700 0.228 0.000 2.387 355 S HA 0.026 4.496 4.470 0.001 0.000 0.226 355 S C 2.026 176.721 174.600 0.159 0.000 1.026 355 S CA 1.542 59.957 58.200 0.358 0.000 0.972 355 S CB -0.528 62.934 63.200 0.436 0.000 0.814 355 S HN 0.624 nan 8.310 nan 0.000 0.477 356 G N 2.025 110.899 108.800 0.123 0.000 2.402 356 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 356 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 356 G C 1.644 176.545 174.900 0.002 0.000 1.162 356 G CA 0.238 45.362 45.100 0.041 0.000 0.777 356 G HN 0.365 nan 8.290 nan 0.000 0.539 357 R N 0.787 121.324 120.500 0.061 0.000 2.120 357 R HA 0.003 4.343 4.340 0.001 0.000 0.234 357 R C 2.845 179.143 176.300 -0.003 0.000 1.123 357 R CA 1.247 57.355 56.100 0.013 0.000 0.975 357 R CB -0.885 29.445 30.300 0.049 0.000 0.866 357 R HN 0.374 nan 8.270 nan 0.000 0.446 358 A N 0.848 123.706 122.820 0.064 0.000 1.929 358 A HA -0.033 4.287 4.320 0.001 0.000 0.216 358 A C 2.337 179.820 177.584 -0.167 0.000 1.176 358 A CA 0.758 52.843 52.037 0.079 0.000 0.628 358 A CB -0.371 18.745 19.000 0.193 0.000 0.816 358 A HN 0.167 nan 8.150 nan 0.000 0.444 359 L N -0.252 120.772 121.223 -0.331 0.000 2.093 359 L HA -0.156 4.184 4.340 0.001 0.000 0.208 359 L C 2.039 178.806 176.870 -0.171 0.000 1.085 359 L CA 0.918 55.525 54.840 -0.390 0.000 0.755 359 L CB -0.546 41.286 42.059 -0.379 0.000 0.904 359 L HN 0.340 nan 8.230 nan 0.000 0.435 360 N N 0.114 118.748 118.700 -0.110 0.000 2.223 360 N HA -0.174 4.567 4.740 0.001 0.000 0.185 360 N C 1.661 177.135 175.510 -0.061 0.000 1.016 360 N CA 1.056 54.062 53.050 -0.073 0.000 0.863 360 N CB -0.166 38.279 38.487 -0.069 0.000 0.983 360 N HN 0.209 nan 8.380 nan 0.000 0.429 361 L N -0.055 121.135 121.223 -0.054 0.000 2.249 361 L HA 0.200 4.540 4.340 0.001 0.000 0.207 361 L C 1.655 178.532 176.870 0.012 0.000 1.090 361 L CA 1.031 55.859 54.840 -0.021 0.000 0.802 361 L CB -0.124 41.927 42.059 -0.013 0.000 0.947 361 L HN 0.028 nan 8.230 nan 0.000 0.453 362 L N -0.816 120.399 121.223 -0.014 0.000 2.168 362 L HA 0.123 4.464 4.340 0.001 0.000 0.203 362 L C 2.669 179.520 176.870 -0.030 0.000 1.078 362 L CA 0.783 55.610 54.840 -0.022 0.000 0.780 362 L CB -0.935 41.064 42.059 -0.100 0.000 0.939 362 L HN 0.257 nan 8.230 nan 0.000 0.451 363 A N 0.916 123.703 122.820 -0.055 0.000 1.892 363 A HA -0.149 4.171 4.320 0.001 0.000 0.218 363 A C -0.009 177.578 177.584 0.005 0.000 1.188 363 A CA 1.826 53.855 52.037 -0.013 0.000 0.631 363 A CB -1.840 17.155 19.000 -0.008 0.000 0.822 363 A HN 0.248 nan 8.150 nan 0.000 0.447 364 P HA -0.173 nan 4.420 nan 0.000 0.216 364 P C 1.346 178.655 177.300 0.016 0.000 1.154 364 P CA 1.446 64.549 63.100 0.004 0.000 0.865 364 P CB -0.076 31.622 31.700 -0.004 0.000 0.789 365 R N -1.065 119.447 120.500 0.020 0.000 2.356 365 R HA 0.207 4.547 4.340 0.001 0.000 0.234 365 R C 0.120 176.442 176.300 0.036 0.000 0.929 365 R CA 0.073 56.191 56.100 0.029 0.000 1.084 365 R CB -0.242 30.078 30.300 0.032 0.000 1.105 365 R HN 0.228 nan 8.270 nan 0.000 0.515 366 L N 1.508 122.754 121.223 0.038 0.000 2.488 366 L HA 0.295 4.635 4.340 0.001 0.000 0.250 366 L C -1.761 175.147 176.870 0.063 0.000 1.280 366 L CA -1.387 53.484 54.840 0.052 0.000 0.929 366 L CB 1.811 43.903 42.059 0.054 0.000 1.200 366 L HN -0.114 nan 8.230 nan 0.000 0.495 367 P HA -0.174 nan 4.420 nan 0.000 0.225 367 P C 0.923 178.292 177.300 0.115 0.000 1.148 367 P CA 1.060 64.205 63.100 0.076 0.000 0.779 367 P CB 0.316 32.063 31.700 0.077 0.000 0.780 368 E N -0.417 119.852 120.200 0.114 0.000 2.285 368 E HA -0.051 4.299 4.350 0.001 0.000 0.194 368 E C 1.004 177.738 176.600 0.225 0.000 0.997 368 E CA 0.025 56.517 56.400 0.154 0.000 0.845 368 E CB -0.765 28.973 29.700 0.063 0.000 0.782 368 E HN 0.183 nan 8.360 nan 0.000 0.491 369 L N 2.692 123.998 121.223 0.138 0.000 2.562 369 L HA 0.162 4.503 4.340 0.001 0.000 0.271 369 L C -0.552 176.339 176.870 0.035 0.000 1.167 369 L CA 0.437 55.347 54.840 0.118 0.000 0.917 369 L CB -0.119 42.017 42.059 0.128 0.000 1.187 369 L HN 0.102 nan 8.230 nan 0.000 0.482 370 L N 5.271 126.446 121.223 -0.081 0.000 2.329 370 L HA 0.594 4.935 4.340 0.001 0.000 0.279 370 L C 0.632 177.131 176.870 -0.619 0.000 1.014 370 L CA -0.563 54.109 54.840 -0.280 0.000 0.814 370 L CB 1.795 43.633 42.059 -0.368 0.000 1.257 370 L HN 0.663 nan 8.230 nan 0.000 0.424 371 G N 0.698 109.125 108.800 -0.621 0.000 2.537 371 G HA2 0.828 4.788 3.960 0.001 0.000 0.323 371 G HA3 0.828 4.788 3.960 0.001 0.000 0.323 371 G C -0.670 173.785 174.900 -0.741 0.000 1.207 371 G CA -0.402 44.091 45.100 -1.012 0.000 0.976 371 G HN 0.838 nan 8.290 nan 0.000 0.487 372 G N -1.852 106.578 108.800 -0.617 0.000 2.495 372 G HA2 0.647 4.608 3.960 0.001 0.000 0.294 372 G HA3 0.647 4.608 3.960 0.001 0.000 0.294 372 G C -1.336 173.467 174.900 -0.162 0.000 1.397 372 G CA 0.493 45.228 45.100 -0.607 0.000 0.790 372 G HN 1.555 nan 8.290 nan 0.000 0.486 373 S N -1.988 113.717 115.700 0.008 0.000 2.586 373 S HA 0.628 5.098 4.470 0.001 0.000 0.277 373 S C -0.867 173.828 174.600 0.158 0.000 1.131 373 S CA 0.499 58.770 58.200 0.118 0.000 0.848 373 S CB 1.148 64.483 63.200 0.226 0.000 1.091 373 S HN 2.190 nan 8.310 nan 0.000 0.453 374 A N 2.948 125.798 122.820 0.049 0.000 3.094 374 A HA 0.569 4.889 4.320 0.001 0.000 0.288 374 A C 0.362 177.921 177.584 -0.041 0.000 1.519 374 A CA 0.462 52.508 52.037 0.016 0.000 1.227 374 A CB -1.217 17.735 19.000 -0.080 0.000 1.175 374 A HN 1.280 nan 8.150 nan 0.000 0.568 375 D N -0.019 120.406 120.400 0.043 0.000 2.723 375 D HA -0.162 4.479 4.640 0.001 0.000 0.236 375 D C -0.110 176.172 176.300 -0.029 0.000 1.138 375 D CA 1.367 55.377 54.000 0.017 0.000 0.676 375 D CB -1.422 39.349 40.800 -0.048 0.000 1.069 375 D HN 0.512 nan 8.370 nan 0.000 0.430 376 L N -0.578 120.645 121.223 0.000 0.000 3.449 376 L HA 0.164 4.504 4.340 0.001 0.000 0.347 376 L C 1.821 178.738 176.870 0.078 0.000 1.333 376 L CA -0.049 54.761 54.840 -0.049 0.000 0.905 376 L CB 0.234 42.105 42.059 -0.313 0.000 1.348 376 L HN -0.041 nan 8.230 nan 0.000 0.611 377 T N 1.467 116.128 114.554 0.179 0.000 2.597 377 T HA -0.132 4.219 4.350 0.001 0.000 0.267 377 T C -0.404 174.388 174.700 0.153 0.000 1.053 377 T CA 2.155 64.400 62.100 0.241 0.000 1.165 377 T CB -0.835 68.209 68.868 0.292 0.000 0.863 377 T HN 0.329 nan 8.240 nan 0.000 0.427 378 P HA 0.023 nan 4.420 nan 0.000 0.218 378 P C 1.408 178.794 177.300 0.143 0.000 1.149 378 P CA 1.137 64.301 63.100 0.107 0.000 0.817 378 P CB -0.063 31.692 31.700 0.092 0.000 0.785 379 S N -0.231 115.570 115.700 0.169 0.000 2.446 379 S HA 0.018 4.488 4.470 0.001 0.000 0.225 379 S C 1.602 176.372 174.600 0.283 0.000 1.016 379 S CA 0.680 59.037 58.200 0.261 0.000 0.943 379 S CB -0.498 62.875 63.200 0.288 0.000 0.786 379 S HN 0.222 nan 8.310 nan 0.000 0.508 380 N N 1.421 120.245 118.700 0.207 0.000 2.325 380 N HA 0.102 4.842 4.740 0.001 0.000 0.182 380 N C -0.425 175.214 175.510 0.216 0.000 1.088 380 N CA 0.141 53.324 53.050 0.222 0.000 0.879 380 N CB -0.258 38.344 38.487 0.192 0.000 0.983 380 N HN 0.242 nan 8.380 nan 0.000 0.471 381 N N -0.565 118.244 118.700 0.181 0.000 2.721 381 N HA -0.163 4.577 4.740 0.001 0.000 0.249 381 N C 0.453 176.069 175.510 0.176 0.000 1.072 381 N CA 1.236 54.373 53.050 0.145 0.000 0.710 381 N CB -1.820 36.749 38.487 0.137 0.000 0.993 381 N HN 0.423 nan 8.380 nan 0.000 0.547 382 T N -3.907 110.798 114.554 0.251 0.000 3.067 382 T HA -0.034 4.316 4.350 0.001 0.000 0.257 382 T C 0.760 175.715 174.700 0.426 0.000 1.105 382 T CA 0.284 62.637 62.100 0.422 0.000 1.104 382 T CB 0.373 69.589 68.868 0.580 0.000 0.925 382 T HN 0.331 nan 8.240 nan 0.000 0.498 383 K N 2.415 122.860 120.400 0.075 0.000 2.220 383 K HA 0.566 4.886 4.320 0.001 0.000 0.283 383 K C 0.161 176.709 176.600 -0.087 0.000 1.098 383 K CA -0.504 55.620 56.287 -0.273 0.000 0.928 383 K CB -0.046 31.964 32.500 -0.817 0.000 1.214 383 K HN 0.358 nan 8.250 nan 0.000 0.442 384 A N 3.602 126.436 122.820 0.022 0.000 2.448 384 A HA 0.028 4.349 4.320 0.001 0.000 0.239 384 A C -0.014 177.545 177.584 -0.041 0.000 1.080 384 A CA -0.130 51.901 52.037 -0.010 0.000 0.779 384 A CB 0.216 19.220 19.000 0.007 0.000 1.026 384 A HN 0.705 nan 8.150 nan 0.000 0.499 385 E N 0.314 120.487 120.200 -0.044 0.000 2.351 385 E HA 0.423 4.773 4.350 0.001 0.000 0.266 385 E C 0.772 177.351 176.600 -0.035 0.000 1.031 385 E CA 1.594 57.967 56.400 -0.044 0.000 0.911 385 E CB 0.415 30.089 29.700 -0.044 0.000 0.986 385 E HN 1.393 nan 8.360 nan 0.000 0.446 389 D N 1.557 122.016 120.400 0.098 0.000 2.455 389 D HA 0.071 4.711 4.640 0.001 0.000 0.241 389 D C -0.433 175.928 176.300 0.101 0.000 1.138 389 D CA 0.508 54.610 54.000 0.169 0.000 0.877 389 D CB 0.392 41.346 40.800 0.257 0.000 1.187 389 D HN 0.189 nan 8.370 nan 0.000 0.451 390 F N 1.715 121.644 119.950 -0.035 0.000 2.399 390 F HA 0.327 4.854 4.527 0.001 0.000 0.342 390 F C 0.121 175.893 175.800 -0.046 0.000 1.106 390 F CA -0.262 57.657 58.000 -0.134 0.000 1.196 390 F CB 0.754 39.557 39.000 -0.328 0.000 1.163 390 F HN 0.312 nan 8.300 nan 0.000 0.547 391 S N 4.550 119.486 115.700 -1.273 0.000 2.578 391 S HA 0.362 4.833 4.470 0.001 0.000 0.272 391 S C 0.243 174.294 174.600 -0.914 0.000 1.145 391 S CA -1.137 56.568 58.200 -0.824 0.000 0.835 391 S CB 1.574 64.592 63.200 -0.303 0.000 1.104 391 S HN 0.808 nan 8.310 nan 0.000 0.458 392 R N 0.816 121.001 120.500 -0.527 0.000 2.119 392 R HA -0.164 4.176 4.340 0.001 0.000 0.246 392 R C 2.372 178.487 176.300 -0.309 0.000 1.146 392 R CA 1.939 57.828 56.100 -0.352 0.000 0.962 392 R CB -0.933 29.237 30.300 -0.217 0.000 0.863 392 R HN 0.790 nan 8.270 nan 0.000 0.442 393 A N 0.703 123.358 122.820 -0.275 0.000 1.929 393 A HA -0.098 4.222 4.320 0.001 0.000 0.216 393 A C 1.324 178.778 177.584 -0.217 0.000 1.176 393 A CA 0.901 52.817 52.037 -0.201 0.000 0.628 393 A CB -0.166 18.743 19.000 -0.152 0.000 0.816 393 A HN 0.331 nan 8.150 nan 0.000 0.444 394 N N 0.056 118.577 118.700 -0.299 0.000 2.914 394 N HA 0.157 4.897 4.740 0.001 0.000 0.304 394 N C -2.123 173.157 175.510 -0.384 0.000 1.727 394 N CA -1.488 51.405 53.050 -0.260 0.000 0.986 394 N CB 1.005 39.381 38.487 -0.185 0.000 1.297 394 N HN 0.167 nan 8.380 nan 0.000 0.490 395 P HA -0.140 nan 4.420 nan 0.000 0.223 395 P C 0.988 178.313 177.300 0.041 0.000 1.144 395 P CA 0.813 63.772 63.100 -0.235 0.000 0.783 395 P CB 0.335 31.966 31.700 -0.115 0.000 0.771 396 L N -1.146 120.049 121.223 -0.046 0.000 2.591 396 L HA 0.193 4.534 4.340 0.001 0.000 0.228 396 L C 1.449 178.322 176.870 0.004 0.000 1.133 396 L CA -0.270 54.554 54.840 -0.026 0.000 0.880 396 L CB -0.704 41.314 42.059 -0.069 0.000 1.033 396 L HN -0.054 nan 8.230 nan 0.000 0.450 397 G N 0.182 109.006 108.800 0.041 0.000 2.398 397 G HA2 0.117 4.078 3.960 0.001 0.000 0.246 397 G HA3 0.117 4.078 3.960 0.001 0.000 0.246 397 G C 0.683 175.624 174.900 0.070 0.000 1.289 397 G CA -0.363 44.772 45.100 0.059 0.000 0.869 397 G HN 0.290 nan 8.290 nan 0.000 0.543 398 R N 0.981 121.487 120.500 0.010 0.000 2.362 398 R HA 0.086 4.427 4.340 0.001 0.000 0.227 398 R C -0.509 175.742 176.300 -0.081 0.000 0.905 398 R CA -0.217 55.840 56.100 -0.072 0.000 1.067 398 R CB 0.473 30.747 30.300 -0.043 0.000 1.078 398 R HN 0.605 nan 8.270 nan 0.000 0.516 399 Y N 0.781 120.996 120.300 -0.142 0.000 2.377 399 Y HA 0.386 4.936 4.550 0.001 0.000 0.339 399 Y C -1.040 174.728 175.900 -0.219 0.000 1.011 399 Y CA -1.233 56.751 58.100 -0.194 0.000 1.093 399 Y CB 0.980 39.338 38.460 -0.170 0.000 1.201 399 Y HN -0.208 nan 8.280 nan 0.000 0.455 400 L N 5.719 126.424 121.223 -0.864 0.000 2.341 400 L HA 0.368 4.708 4.340 0.001 0.000 0.278 400 L C -0.817 175.663 176.870 -0.650 0.000 1.005 400 L CA -0.636 53.829 54.840 -0.625 0.000 0.818 400 L CB 1.464 43.075 42.059 -0.748 0.000 1.259 400 L HN 0.586 nan 8.230 nan 0.000 0.418 401 H N 4.062 123.071 119.070 -0.101 0.000 2.685 401 H HA 0.215 4.771 4.556 0.001 0.000 0.286 401 H C 0.159 175.435 175.328 -0.088 0.000 1.102 401 H CA -0.111 55.938 56.048 0.001 0.000 1.254 401 H CB 0.691 30.507 29.762 0.089 0.000 1.397 401 H HN 0.555 nan 8.280 nan 0.000 0.473 402 F N 1.397 121.383 119.950 0.060 0.000 2.661 402 F HA 0.069 4.596 4.527 0.001 0.000 0.298 402 F C 1.916 177.649 175.800 -0.112 0.000 1.137 402 F CA 0.912 58.896 58.000 -0.026 0.000 1.454 402 F CB 0.281 39.266 39.000 -0.024 0.000 1.103 402 F HN 0.810 nan 8.300 nan 0.000 0.577 403 G N 0.022 108.860 108.800 0.064 0.000 2.642 403 G HA2 -0.248 3.712 3.960 0.001 0.000 0.231 403 G HA3 -0.248 3.712 3.960 0.001 0.000 0.231 403 G C -0.441 174.436 174.900 -0.038 0.000 1.338 403 G CA -0.473 44.604 45.100 -0.039 0.000 0.883 403 G HN -0.012 nan 8.290 nan 0.000 0.570 404 V N 1.718 121.576 119.914 -0.093 0.000 2.056 404 V HA 0.462 4.583 4.120 0.001 0.000 0.267 404 V C 0.773 176.787 176.094 -0.132 0.000 1.535 404 V CA 0.568 62.781 62.300 -0.144 0.000 1.475 404 V CB -0.611 31.109 31.823 -0.173 0.000 1.441 404 V HN 0.529 nan 8.190 nan 0.000 0.500 405 R N 1.427 121.876 120.500 -0.085 0.000 2.718 405 R HA 0.300 4.640 4.340 0.001 0.000 0.266 405 R C 0.213 176.497 176.300 -0.026 0.000 1.776 405 R CA -0.399 55.674 56.100 -0.044 0.000 1.567 405 R CB 1.109 31.392 30.300 -0.027 0.000 1.336 405 R HN 0.335 nan 8.270 nan 0.000 0.619 406 E N 0.343 120.510 120.200 -0.054 0.000 2.085 406 E HA -0.219 4.131 4.350 0.001 0.000 0.194 406 E C 1.482 178.132 176.600 0.085 0.000 0.994 406 E CA 1.489 57.879 56.400 -0.016 0.000 0.801 406 E CB -0.082 29.617 29.700 -0.001 0.000 0.743 406 E HN 0.546 nan 8.360 nan 0.000 0.453 407 H N -0.013 119.073 119.070 0.026 0.000 2.293 407 H HA 0.022 4.579 4.556 0.001 0.000 0.300 407 H C 0.989 176.322 175.328 0.008 0.000 1.082 407 H CA 0.480 56.549 56.048 0.036 0.000 1.308 407 H CB 0.037 29.828 29.762 0.049 0.000 1.375 407 H HN 0.221 nan 8.280 nan 0.000 0.495 411 A N 1.028 123.924 122.820 0.126 0.000 1.877 411 A HA 0.169 4.489 4.320 0.001 0.000 0.216 411 A C 2.325 179.958 177.584 0.082 0.000 1.186 411 A CA 1.770 53.864 52.037 0.094 0.000 0.620 411 A CB -0.566 18.457 19.000 0.038 0.000 0.822 411 A HN 0.467 nan 8.150 nan 0.000 0.443 412 I N -0.220 120.412 120.570 0.102 0.000 2.286 412 I HA -0.269 3.902 4.170 0.001 0.000 0.248 412 I C 2.318 178.484 176.117 0.081 0.000 1.115 412 I CA 1.034 62.428 61.300 0.157 0.000 1.392 412 I CB -0.354 37.889 38.000 0.406 0.000 1.065 412 I HN 0.305 nan 8.210 nan 0.000 0.418 413 L N 0.492 121.722 121.223 0.011 0.000 2.079 413 L HA -0.234 4.106 4.340 0.001 0.000 0.210 413 L C 2.289 179.131 176.870 -0.048 0.000 1.081 413 L CA 1.270 56.066 54.840 -0.073 0.000 0.752 413 L CB -0.746 41.188 42.059 -0.208 0.000 0.896 413 L HN 0.362 nan 8.230 nan 0.000 0.433 414 N N 0.315 119.022 118.700 0.012 0.000 2.142 414 N HA -0.109 4.631 4.740 0.001 0.000 0.186 414 N C 1.877 177.412 175.510 0.042 0.000 1.023 414 N CA 1.479 54.552 53.050 0.039 0.000 0.852 414 N CB -0.600 37.939 38.487 0.087 0.000 0.998 414 N HN 0.332 nan 8.380 nan 0.000 0.424 415 G N 1.652 110.480 108.800 0.047 0.000 2.418 415 G HA2 -0.159 3.801 3.960 0.001 0.000 0.217 415 G HA3 -0.159 3.801 3.960 0.001 0.000 0.217 415 G C 1.701 176.633 174.900 0.053 0.000 1.158 415 G CA 0.370 45.502 45.100 0.054 0.000 0.771 415 G HN 0.210 nan 8.290 nan 0.000 0.545 416 L N 0.541 121.765 121.223 0.001 0.000 2.042 416 L HA -0.086 4.255 4.340 0.001 0.000 0.210 416 L C 2.481 179.386 176.870 0.059 0.000 1.076 416 L CA 1.023 55.845 54.840 -0.031 0.000 0.749 416 L CB -0.342 41.634 42.059 -0.138 0.000 0.893 416 L HN 0.173 nan 8.230 nan 0.000 0.432 417 N N -0.449 118.274 118.700 0.038 0.000 2.463 417 N HA -0.016 4.724 4.740 0.001 0.000 0.181 417 N C 1.834 177.386 175.510 0.070 0.000 1.078 417 N CA 0.714 53.797 53.050 0.054 0.000 0.902 417 N CB 0.327 38.821 38.487 0.011 0.000 0.970 417 N HN 0.360 nan 8.380 nan 0.000 0.451 418 L N 0.008 121.278 121.223 0.079 0.000 2.168 418 L HA -0.054 4.286 4.340 0.001 0.000 0.203 418 L C 2.482 179.399 176.870 0.077 0.000 1.078 418 L CA 0.601 55.483 54.840 0.069 0.000 0.780 418 L CB -0.363 41.734 42.059 0.063 0.000 0.939 418 L HN 0.245 nan 8.230 nan 0.000 0.451 419 H N 0.778 119.863 119.070 0.026 0.000 2.289 419 H HA -0.097 4.460 4.556 0.001 0.000 0.296 419 H C 0.555 175.886 175.328 0.005 0.000 1.091 419 H CA 1.610 57.673 56.048 0.025 0.000 1.274 419 H CB 0.061 29.861 29.762 0.063 0.000 1.364 419 H HN 0.320 nan 8.280 nan 0.000 0.490 420 G N -2.989 105.954 108.800 0.239 0.000 2.697 420 G HA2 0.284 4.244 3.960 0.001 0.000 0.684 420 G HA3 0.284 4.244 3.960 0.001 0.000 0.684 420 G C 0.605 175.594 174.900 0.148 0.000 1.274 420 G CA 0.265 45.437 45.100 0.119 0.000 0.806 420 G HN 0.996 nan 8.290 nan 0.000 0.644 421 G N -0.689 108.106 108.800 -0.008 0.000 2.195 421 G HA2 -0.066 3.894 3.960 0.001 0.000 0.246 421 G HA3 -0.066 3.894 3.960 0.001 0.000 0.246 421 G C 0.298 174.966 174.900 -0.386 0.000 0.984 421 G CA 1.262 46.248 45.100 -0.190 0.000 0.633 421 G HN 1.724 nan 8.290 nan 0.000 0.525 422 Y N -0.794 119.531 120.300 0.041 0.000 2.633 422 Y HA 0.905 5.455 4.550 0.001 0.000 0.339 422 Y C 0.395 176.294 175.900 -0.001 0.000 1.045 422 Y CA -1.518 56.582 58.100 -0.001 0.000 1.098 422 Y CB 1.555 39.978 38.460 -0.061 0.000 1.296 422 Y HN 0.011 nan 8.280 nan 0.000 0.494 423 R N 1.411 122.037 120.500 0.210 0.000 2.539 423 R HA 0.737 5.077 4.340 0.001 0.000 0.295 423 R C -1.727 174.617 176.300 0.073 0.000 1.138 423 R CA -0.713 55.459 56.100 0.119 0.000 0.936 423 R CB 1.285 31.659 30.300 0.123 0.000 1.182 423 R HN 0.793 nan 8.270 nan 0.000 0.459 424 A N 3.904 126.726 122.820 0.003 0.000 2.342 424 A HA 0.727 5.047 4.320 0.001 0.000 0.323 424 A C -1.322 176.223 177.584 -0.065 0.000 1.125 424 A CA -0.630 51.344 52.037 -0.105 0.000 0.785 424 A CB 0.914 19.813 19.000 -0.167 0.000 1.221 424 A HN 0.606 nan 8.150 nan 0.000 0.463 425 Y N -0.289 119.975 120.300 -0.060 0.000 2.499 425 Y HA 0.841 5.392 4.550 0.001 0.000 0.347 425 Y C 0.042 175.884 175.900 -0.097 0.000 0.987 425 Y CA -1.285 56.764 58.100 -0.086 0.000 1.044 425 Y CB 1.355 39.883 38.460 0.113 0.000 1.245 425 Y HN 0.864 nan 8.280 nan 0.000 0.461 426 G N 0.146 108.965 108.800 0.031 0.000 2.638 426 G HA2 0.588 4.548 3.960 0.001 0.000 0.302 426 G HA3 0.588 4.548 3.960 0.001 0.000 0.302 426 G C -1.103 173.806 174.900 0.015 0.000 1.365 426 G CA -0.660 44.417 45.100 -0.038 0.000 0.987 426 G HN 1.082 nan 8.290 nan 0.000 0.495 427 G N -1.239 107.598 108.800 0.061 0.000 2.537 427 G HA2 0.826 4.786 3.960 0.001 0.000 0.323 427 G HA3 0.826 4.786 3.960 0.001 0.000 0.323 427 G C -0.621 174.289 174.900 0.017 0.000 1.207 427 G CA -0.066 45.064 45.100 0.050 0.000 0.976 427 G HN 1.155 nan 8.290 nan 0.000 0.487 428 T N -1.721 112.865 114.554 0.054 0.000 2.622 428 T HA 0.362 4.713 4.350 0.001 0.000 0.283 428 T C -1.709 173.126 174.700 0.225 0.000 1.950 428 T CA -0.683 61.436 62.100 0.032 0.000 0.947 428 T CB -0.060 68.880 68.868 0.120 0.000 2.084 428 T HN 0.320 nan 8.240 nan 0.000 0.463 429 F N 2.560 122.659 119.950 0.248 0.000 2.412 429 F HA 0.416 4.943 4.527 0.001 0.000 0.348 429 F C 1.472 177.304 175.800 0.052 0.000 1.102 429 F CA -1.317 56.719 58.000 0.059 0.000 1.196 429 F CB 0.541 39.413 39.000 -0.214 0.000 1.144 429 F HN 0.517 nan 8.300 nan 0.000 0.541 430 L N 3.713 125.057 121.223 0.202 0.000 2.051 430 L HA -0.193 4.148 4.340 0.001 0.000 0.214 430 L C 2.081 178.732 176.870 -0.366 0.000 1.076 430 L CA 1.629 56.392 54.840 -0.129 0.000 0.758 430 L CB -0.864 41.116 42.059 -0.131 0.000 0.890 430 L HN 0.529 nan 8.230 nan 0.000 0.433 431 V N -0.817 118.801 119.914 -0.494 0.000 2.568 431 V HA -0.256 3.864 4.120 0.001 0.000 0.253 431 V C 1.853 177.774 176.094 -0.287 0.000 1.072 431 V CA 1.595 63.474 62.300 -0.702 0.000 1.084 431 V CB -0.624 30.727 31.823 -0.786 0.000 0.676 431 V HN 0.470 nan 8.190 nan 0.000 0.469 432 F N 0.733 120.709 119.950 0.045 0.000 2.773 432 F HA 0.157 4.684 4.527 0.001 0.000 0.304 432 F C 2.384 178.266 175.800 0.136 0.000 1.129 432 F CA 0.518 58.583 58.000 0.108 0.000 1.378 432 F CB -1.028 37.944 39.000 -0.047 0.000 1.095 432 F HN 0.321 nan 8.300 nan 0.000 0.565 433 S N -1.217 114.547 115.700 0.106 0.000 2.474 433 S HA -0.162 4.308 4.470 0.001 0.000 0.235 433 S C 1.581 176.196 174.600 0.025 0.000 0.997 433 S CA 1.092 59.258 58.200 -0.056 0.000 0.949 433 S CB -0.287 62.505 63.200 -0.680 0.000 0.766 433 S HN 0.282 nan 8.310 nan 0.000 0.517 434 D N 0.672 121.148 120.400 0.128 0.000 2.144 434 D HA 0.025 4.666 4.640 0.001 0.000 0.200 434 D C 0.424 176.734 176.300 0.016 0.000 0.978 434 D CA 0.843 54.872 54.000 0.048 0.000 0.833 434 D CB -0.250 40.600 40.800 0.082 0.000 0.961 434 D HN 0.426 nan 8.370 nan 0.000 0.470 438 P HA -0.129 nan 4.420 nan 0.000 0.216 438 P C 1.079 178.418 177.300 0.065 0.000 1.153 438 P CA 2.335 65.429 63.100 -0.010 0.000 0.858 438 P CB 0.027 31.779 31.700 0.087 0.000 0.789 439 A N -1.134 121.754 122.820 0.114 0.000 1.968 439 A HA -0.128 4.193 4.320 0.001 0.000 0.217 439 A C 2.189 179.831 177.584 0.096 0.000 1.169 439 A CA 1.155 53.288 52.037 0.160 0.000 0.638 439 A CB -1.446 17.709 19.000 0.260 0.000 0.812 439 A HN 0.113 nan 8.150 nan 0.000 0.446 440 I N -1.140 119.382 120.570 -0.080 0.000 2.252 440 I HA -0.224 3.946 4.170 0.001 0.000 0.245 440 I C 2.714 178.824 176.117 -0.012 0.000 1.102 440 I CA 1.565 62.738 61.300 -0.212 0.000 1.385 440 I CB -0.316 37.437 38.000 -0.411 0.000 1.064 440 I HN 0.347 nan 8.210 nan 0.000 0.414 441 R N 0.912 121.403 120.500 -0.016 0.000 2.081 441 R HA -0.195 4.145 4.340 0.001 0.000 0.235 441 R C 2.382 178.711 176.300 0.048 0.000 1.131 441 R CA 1.369 57.477 56.100 0.013 0.000 0.960 441 R CB -0.252 30.043 30.300 -0.008 0.000 0.856 441 R HN 0.186 nan 8.270 nan 0.000 0.436 442 L N 0.680 121.939 121.223 0.061 0.000 2.042 442 L HA -0.159 4.181 4.340 0.001 0.000 0.210 442 L C 2.278 179.204 176.870 0.094 0.000 1.076 442 L CA 2.171 57.055 54.840 0.072 0.000 0.749 442 L CB -0.559 41.549 42.059 0.082 0.000 0.893 442 L HN 0.278 nan 8.230 nan 0.000 0.432 443 A N -0.848 122.053 122.820 0.135 0.000 1.877 443 A HA -0.123 4.197 4.320 0.001 0.000 0.216 443 A C 2.451 180.111 177.584 0.128 0.000 1.186 443 A CA 1.783 53.914 52.037 0.158 0.000 0.620 443 A CB -1.156 18.008 19.000 0.273 0.000 0.822 443 A HN 0.540 nan 8.150 nan 0.000 0.443 444 A N -0.280 122.613 122.820 0.123 0.000 1.908 444 A HA 0.093 4.414 4.320 0.001 0.000 0.218 444 A C 1.416 179.048 177.584 0.081 0.000 1.181 444 A CA 0.891 52.989 52.037 0.101 0.000 0.627 444 A CB -0.670 18.382 19.000 0.087 0.000 0.818 444 A HN 0.479 nan 8.150 nan 0.000 0.445 448 V N 2.726 122.674 119.914 0.057 0.000 2.508 448 V HA 0.259 4.380 4.120 0.001 0.000 0.281 448 V C -1.135 174.978 176.094 0.032 0.000 1.041 448 V CA -1.149 61.178 62.300 0.045 0.000 1.016 448 V CB 1.460 33.316 31.823 0.056 0.000 0.984 448 V HN 0.204 nan 8.190 nan 0.000 0.478 449 P HA 0.038 nan 4.420 nan 0.000 0.261 449 P C 0.355 177.629 177.300 -0.042 0.000 1.650 449 P CA -0.062 63.029 63.100 -0.015 0.000 0.846 449 P CB -0.396 31.295 31.700 -0.016 0.000 1.758 450 T N 0.294 114.802 114.554 -0.076 0.000 2.926 450 T HA 0.164 4.515 4.350 0.001 0.000 0.307 450 T C 0.454 174.952 174.700 -0.336 0.000 1.059 450 T CA 0.201 62.150 62.100 -0.251 0.000 1.122 450 T CB 0.861 69.478 68.868 -0.418 0.000 0.972 450 T HN -0.120 nan 8.240 nan 0.000 0.545 451 V N 4.402 124.093 119.914 -0.372 0.000 2.334 451 V HA 0.386 4.506 4.120 0.001 0.000 0.281 451 V C -0.704 175.129 176.094 -0.434 0.000 1.016 451 V CA -0.715 61.422 62.300 -0.272 0.000 0.832 451 V CB 0.392 32.175 31.823 -0.067 0.000 0.999 451 V HN 0.718 nan 8.190 nan 0.000 0.439 452 F N 4.033 123.880 119.950 -0.173 0.000 2.391 452 F HA 0.472 4.999 4.527 0.001 0.000 0.359 452 F C 0.290 175.717 175.800 -0.621 0.000 1.122 452 F CA -0.679 57.066 58.000 -0.424 0.000 1.120 452 F CB 1.508 40.225 39.000 -0.473 0.000 1.142 452 F HN 0.166 nan 8.300 nan 0.000 0.483 453 V N 5.214 124.897 119.914 -0.385 0.000 2.364 453 V HA 0.270 4.390 4.120 0.001 0.000 0.272 453 V C -0.566 175.327 176.094 -0.336 0.000 1.036 453 V CA -0.542 61.595 62.300 -0.271 0.000 0.880 453 V CB 0.338 32.150 31.823 -0.017 0.000 0.991 453 V HN 0.401 nan 8.190 nan 0.000 0.460 454 F N 2.935 122.953 119.950 0.114 0.000 2.427 454 F HA 0.568 5.096 4.527 0.001 0.000 0.348 454 F C 0.529 176.413 175.800 0.141 0.000 1.125 454 F CA -0.374 57.702 58.000 0.126 0.000 0.989 454 F CB 1.980 41.035 39.000 0.091 0.000 1.165 454 F HN 0.425 nan 8.300 nan 0.000 0.442 455 T N 0.744 115.541 114.554 0.406 0.000 2.922 455 T HA 0.409 4.759 4.350 0.001 0.000 0.281 455 T C -0.647 174.321 174.700 0.445 0.000 1.005 455 T CA -0.306 62.038 62.100 0.408 0.000 0.982 455 T CB 0.299 69.471 68.868 0.506 0.000 1.158 455 T HN 0.667 nan 8.240 nan 0.000 0.566 456 H N 1.043 120.144 119.070 0.052 0.000 2.677 456 H HA -0.100 4.457 4.556 0.001 0.000 0.321 456 H C 0.853 176.102 175.328 -0.133 0.000 1.171 456 H CA 0.883 56.850 56.048 -0.134 0.000 1.139 456 H CB -1.377 28.132 29.762 -0.422 0.000 1.515 456 H HN 0.639 nan 8.280 nan 0.000 0.423 457 D N -0.958 119.442 120.400 0.001 0.000 2.392 457 D HA -0.036 4.604 4.640 0.001 0.000 0.228 457 D C 0.826 177.077 176.300 -0.081 0.000 1.003 457 D CA 0.992 54.971 54.000 -0.034 0.000 0.917 457 D CB 0.268 41.064 40.800 -0.006 0.000 0.890 457 D HN 0.537 nan 8.370 nan 0.000 0.532 458 S N -0.979 114.658 115.700 -0.105 0.000 2.703 458 S HA 0.292 4.762 4.470 0.001 0.000 0.273 458 S C 1.197 175.756 174.600 -0.068 0.000 1.178 458 S CA -0.441 57.708 58.200 -0.086 0.000 0.838 458 S CB 0.062 63.211 63.200 -0.084 0.000 1.178 458 S HN 0.036 nan 8.310 nan 0.000 0.494 459 I N -0.805 119.762 120.570 -0.005 0.000 2.530 459 I HA 0.041 4.212 4.170 0.001 0.000 0.257 459 I C 2.204 178.360 176.117 0.065 0.000 1.179 459 I CA 1.578 62.910 61.300 0.053 0.000 1.440 459 I CB -0.996 37.077 38.000 0.121 0.000 1.087 459 I HN 0.675 nan 8.210 nan 0.000 0.440 460 A N 2.511 125.346 122.820 0.025 0.000 2.186 460 A HA -0.082 4.238 4.320 0.001 0.000 0.219 460 A C 2.192 179.654 177.584 -0.204 0.000 1.159 460 A CA 1.634 53.631 52.037 -0.066 0.000 0.680 460 A CB -0.821 17.942 19.000 -0.396 0.000 0.787 460 A HN 0.681 nan 8.150 nan 0.000 0.467 461 L N -2.996 118.114 121.223 -0.188 0.000 2.353 461 L HA 0.327 4.667 4.340 0.001 0.000 0.220 461 L C 1.301 178.086 176.870 -0.141 0.000 1.133 461 L CA 0.892 55.579 54.840 -0.254 0.000 0.798 461 L CB -1.679 40.244 42.059 -0.228 0.000 0.922 461 L HN 0.798 nan 8.230 nan 0.000 0.445 462 G N -0.145 108.633 108.800 -0.035 0.000 2.498 462 G HA2 -0.358 3.603 3.960 0.001 0.000 0.245 462 G HA3 -0.358 3.603 3.960 0.001 0.000 0.245 462 G C 0.503 175.405 174.900 0.002 0.000 1.204 462 G CA 0.311 45.425 45.100 0.024 0.000 0.933 462 G HN 0.362 nan 8.290 nan 0.000 0.574 463 E N 0.622 120.823 120.200 0.001 0.000 2.236 463 E HA -0.126 4.224 4.350 0.001 0.000 0.205 463 E C 1.870 178.442 176.600 -0.048 0.000 1.028 463 E CA 1.821 58.214 56.400 -0.012 0.000 0.827 463 E CB -0.253 29.443 29.700 -0.008 0.000 0.735 463 E HN 0.505 nan 8.360 nan 0.000 0.470 464 D N -0.266 120.081 120.400 -0.088 0.000 2.228 464 D HA -0.038 4.602 4.640 0.001 0.000 0.203 464 D C 1.060 177.256 176.300 -0.173 0.000 0.988 464 D CA 1.502 55.385 54.000 -0.195 0.000 0.864 464 D CB -0.398 40.235 40.800 -0.277 0.000 0.928 464 D HN 0.308 nan 8.370 nan 0.000 0.469 465 G N -0.487 108.274 108.800 -0.065 0.000 2.710 465 G HA2 -0.187 3.774 3.960 0.001 0.000 0.668 465 G HA3 -0.187 3.774 3.960 0.001 0.000 0.668 465 G C -1.874 173.046 174.900 0.033 0.000 1.320 465 G CA -0.232 44.862 45.100 -0.011 0.000 0.860 465 G HN -0.029 nan 8.290 nan 0.000 0.538 466 P HA -0.170 nan 4.420 nan 0.000 0.216 466 P C 1.955 179.279 177.300 0.041 0.000 1.150 466 P CA 3.105 66.246 63.100 0.068 0.000 0.837 466 P CB -0.432 31.308 31.700 0.066 0.000 0.786 467 T N -4.298 110.304 114.554 0.079 0.000 2.962 467 T HA -0.139 4.211 4.350 0.001 0.000 0.270 467 T C 1.455 176.229 174.700 0.124 0.000 1.088 467 T CA 1.339 63.508 62.100 0.114 0.000 1.127 467 T CB -1.043 67.962 68.868 0.228 0.000 0.883 467 T HN 0.194 nan 8.240 nan 0.000 0.493 468 H N 0.625 119.645 119.070 -0.084 0.000 2.654 468 H HA 0.399 4.955 4.556 0.001 0.000 0.264 468 H C 0.552 175.721 175.328 -0.266 0.000 0.954 468 H CA -0.198 55.723 56.048 -0.212 0.000 1.199 468 H CB 0.145 29.808 29.762 -0.165 0.000 1.446 468 H HN 0.479 nan 8.280 nan 0.000 0.516 469 Q N 1.903 121.682 119.800 -0.035 0.000 2.294 469 Q HA 0.243 4.583 4.340 0.001 0.000 0.257 469 Q C -2.434 173.506 176.000 -0.099 0.000 0.955 469 Q CA -2.077 53.686 55.803 -0.066 0.000 0.936 469 Q CB 1.305 30.052 28.738 0.015 0.000 1.188 469 Q HN 0.152 nan 8.270 nan 0.000 0.420 470 P HA 0.060 nan 4.420 nan 0.000 0.274 470 P C -0.433 176.879 177.300 0.020 0.000 1.231 470 P CA -0.153 62.767 63.100 -0.300 0.000 0.790 470 P CB 1.178 32.635 31.700 -0.405 0.000 0.951 471 V N 0.596 120.641 119.914 0.219 0.000 4.138 471 V HA 0.006 4.127 4.120 0.001 0.000 0.171 471 V C 1.806 177.996 176.094 0.160 0.000 1.315 471 V CA 0.350 62.750 62.300 0.167 0.000 1.238 471 V CB -0.560 31.343 31.823 0.134 0.000 1.358 471 V HN 0.551 nan 8.190 nan 0.000 0.587 472 E N 0.572 120.871 120.200 0.166 0.000 2.481 472 E HA -0.173 4.178 4.350 0.001 0.000 0.195 472 E C 1.580 178.144 176.600 -0.060 0.000 1.047 472 E CA 1.100 57.507 56.400 0.012 0.000 0.867 472 E CB -0.305 29.354 29.700 -0.068 0.000 0.858 472 E HN 0.767 nan 8.360 nan 0.000 0.513 473 H N 1.512 120.542 119.070 -0.067 0.000 2.319 473 H HA 0.042 4.598 4.556 0.001 0.000 0.299 473 H C 1.254 176.494 175.328 -0.146 0.000 1.092 473 H CA 1.071 57.044 56.048 -0.124 0.000 1.302 473 H CB -0.420 29.246 29.762 -0.161 0.000 1.373 473 H HN 0.056 nan 8.280 nan 0.000 0.497 477 L N 1.615 122.762 121.223 -0.127 0.000 2.127 477 L HA 0.270 4.610 4.340 0.001 0.000 0.203 477 L C 2.474 179.298 176.870 -0.077 0.000 1.080 477 L CA 0.871 55.653 54.840 -0.097 0.000 0.768 477 L CB -0.394 41.611 42.059 -0.089 0.000 0.924 477 L HN 0.200 nan 8.230 nan 0.000 0.444 478 R N 0.533 120.960 120.500 -0.122 0.000 2.200 478 R HA -0.063 4.277 4.340 0.001 0.000 0.234 478 R C 1.148 177.413 176.300 -0.058 0.000 1.127 478 R CA 0.683 56.710 56.100 -0.121 0.000 0.989 478 R CB -0.402 29.737 30.300 -0.268 0.000 0.869 478 R HN 0.326 nan 8.270 nan 0.000 0.459 482 N N 0.517 119.290 118.700 0.121 0.000 2.727 482 N HA -0.179 4.562 4.740 0.001 0.000 0.249 482 N C -1.183 174.429 175.510 0.169 0.000 1.048 482 N CA 0.291 53.426 53.050 0.141 0.000 0.714 482 N CB -0.454 38.092 38.487 0.099 0.000 0.959 482 N HN 0.450 nan 8.380 nan 0.000 0.544 483 L N 1.678 123.033 121.223 0.220 0.000 2.441 483 L HA 0.470 4.811 4.340 0.001 0.000 0.270 483 L C -0.872 176.212 176.870 0.357 0.000 0.973 483 L CA -0.703 54.281 54.840 0.239 0.000 0.842 483 L CB 0.968 43.115 42.059 0.147 0.000 1.239 483 L HN -0.008 nan 8.230 nan 0.000 0.406 484 F N 4.371 124.368 119.950 0.078 0.000 2.420 484 F HA 0.376 4.903 4.527 0.001 0.000 0.352 484 F C 0.106 175.945 175.800 0.064 0.000 1.108 484 F CA -0.770 57.272 58.000 0.069 0.000 1.162 484 F CB 1.746 40.782 39.000 0.060 0.000 1.118 484 F HN 0.111 nan 8.300 nan 0.000 0.510 485 V N 6.684 126.654 119.914 0.093 0.000 2.326 485 V HA 0.343 4.463 4.120 0.001 0.000 0.281 485 V C -0.084 176.018 176.094 0.014 0.000 1.015 485 V CA -0.552 61.780 62.300 0.053 0.000 0.823 485 V CB 1.149 32.955 31.823 -0.029 0.000 1.009 485 V HN 0.498 nan 8.190 nan 0.000 0.436 486 I N 4.855 125.454 120.570 0.047 0.000 2.378 486 I HA 0.574 4.744 4.170 0.001 0.000 0.291 486 I C 0.243 176.375 176.117 0.025 0.000 0.992 486 I CA -0.566 60.754 61.300 0.033 0.000 1.154 486 I CB 1.675 39.700 38.000 0.041 0.000 1.315 486 I HN 0.446 nan 8.210 nan 0.000 0.448 487 R N 8.008 128.529 120.500 0.034 0.000 2.402 487 R HA 0.362 4.703 4.340 0.001 0.000 0.290 487 R C -2.581 173.749 176.300 0.050 0.000 1.321 487 R CA -1.675 54.447 56.100 0.036 0.000 1.283 487 R CB 1.083 31.404 30.300 0.034 0.000 1.111 487 R HN 0.317 nan 8.270 nan 0.000 0.578 488 P HA 0.001 nan 4.420 nan 0.000 0.268 488 P C 0.041 177.376 177.300 0.058 0.000 1.204 488 P CA 0.267 63.410 63.100 0.073 0.000 0.768 488 P CB 1.642 33.385 31.700 0.071 0.000 0.842 489 A N 3.412 126.268 122.820 0.060 0.000 1.970 489 A HA -0.002 4.319 4.320 0.001 0.000 0.216 489 A C 0.919 178.552 177.584 0.082 0.000 1.170 489 A CA 1.265 53.309 52.037 0.012 0.000 0.645 489 A CB -0.388 18.557 19.000 -0.092 0.000 0.816 489 A HN 0.719 nan 8.150 nan 0.000 0.447 490 D N -3.777 116.675 120.400 0.087 0.000 2.798 490 D HA 0.514 5.154 4.640 0.001 0.000 0.308 490 D C 0.910 177.157 176.300 -0.089 0.000 1.187 490 D CA 0.099 54.137 54.000 0.064 0.000 1.033 490 D CB 0.876 41.761 40.800 0.143 0.000 1.445 490 D HN 0.014 nan 8.370 nan 0.000 0.550 491 A N -0.493 122.109 122.820 -0.363 0.000 1.883 491 A HA -0.170 4.150 4.320 0.001 0.000 0.217 491 A C 2.024 179.277 177.584 -0.551 0.000 1.186 491 A CA 1.541 53.103 52.037 -0.791 0.000 0.624 491 A CB -1.341 16.468 19.000 -1.985 0.000 0.822 491 A HN 0.557 nan 8.150 nan 0.000 0.444 492 Y N -0.266 119.903 120.300 -0.219 0.000 2.224 492 Y HA -0.128 4.422 4.550 0.001 0.000 0.289 492 Y C 2.425 178.414 175.900 0.149 0.000 1.146 492 Y CA 1.430 59.541 58.100 0.018 0.000 1.182 492 Y CB -0.474 38.054 38.460 0.113 0.000 0.983 492 Y HN 0.422 nan 8.280 nan 0.000 0.524 493 E N -0.638 119.751 120.200 0.315 0.000 2.150 493 E HA -0.142 4.208 4.350 0.001 0.000 0.193 493 E C 1.856 178.603 176.600 0.245 0.000 0.985 493 E CA 1.429 58.028 56.400 0.332 0.000 0.814 493 E CB -0.012 29.838 29.700 0.249 0.000 0.752 493 E HN 0.416 nan 8.360 nan 0.000 0.466 494 T N 0.518 115.173 114.554 0.168 0.000 2.867 494 T HA -0.144 4.207 4.350 0.001 0.000 0.268 494 T C 1.320 176.196 174.700 0.293 0.000 1.057 494 T CA 0.770 62.971 62.100 0.168 0.000 1.136 494 T CB -0.236 68.715 68.868 0.138 0.000 0.874 494 T HN 0.190 nan 8.240 nan 0.000 0.466 495 F N 1.213 121.232 119.950 0.114 0.000 2.098 495 F HA -0.027 4.500 4.527 0.001 0.000 0.294 495 F C 1.804 177.649 175.800 0.075 0.000 1.107 495 F CA 0.814 58.859 58.000 0.075 0.000 1.234 495 F CB -0.565 38.356 39.000 -0.131 0.000 1.002 495 F HN 0.104 nan 8.300 nan 0.000 0.472 496 Y N 0.439 120.826 120.300 0.146 0.000 2.403 496 Y HA -0.026 4.524 4.550 0.001 0.000 0.291 496 Y C 2.501 178.397 175.900 -0.007 0.000 1.143 496 Y CA 0.709 58.810 58.100 0.003 0.000 1.257 496 Y CB -1.445 37.080 38.460 0.109 0.000 0.984 496 Y HN 0.192 nan 8.280 nan 0.000 0.550 497 A N -1.277 121.632 122.820 0.147 0.000 1.929 497 A HA -0.145 4.175 4.320 0.001 0.000 0.216 497 A C 1.909 179.461 177.584 -0.055 0.000 1.176 497 A CA 1.013 53.075 52.037 0.042 0.000 0.628 497 A CB -1.061 17.929 19.000 -0.017 0.000 0.816 497 A HN 0.608 nan 8.150 nan 0.000 0.444 498 W N 0.220 121.469 121.300 -0.085 0.000 2.381 498 W HA -0.035 4.625 4.660 0.001 0.000 0.301 498 W C 2.052 178.479 176.519 -0.154 0.000 1.205 498 W CA 1.004 58.269 57.345 -0.132 0.000 1.285 498 W CB -0.190 29.166 29.460 -0.174 0.000 1.133 498 W HN 0.205 nan 8.180 nan 0.000 0.521 499 L N -0.793 120.428 121.223 -0.003 0.000 2.017 499 L HA -0.255 4.086 4.340 0.001 0.000 0.208 499 L C 2.160 179.051 176.870 0.035 0.000 1.073 499 L CA 1.001 55.818 54.840 -0.038 0.000 0.745 499 L CB -1.442 40.549 42.059 -0.115 0.000 0.894 499 L HN -0.143 nan 8.230 nan 0.000 0.432 500 V N 0.254 120.201 119.914 0.054 0.000 2.287 500 V HA -0.318 3.802 4.120 0.001 0.000 0.248 500 V C 2.800 178.919 176.094 0.041 0.000 1.053 500 V CA 1.919 64.263 62.300 0.073 0.000 1.027 500 V CB -0.910 30.991 31.823 0.130 0.000 0.646 500 V HN 0.493 nan 8.190 nan 0.000 0.447 501 A N -0.348 122.483 122.820 0.017 0.000 1.883 501 A HA -0.184 4.136 4.320 0.001 0.000 0.217 501 A C 2.110 179.702 177.584 0.013 0.000 1.186 501 A CA 1.874 53.898 52.037 -0.022 0.000 0.624 501 A CB -0.595 18.322 19.000 -0.138 0.000 0.822 501 A HN 0.404 nan 8.150 nan 0.000 0.444 502 L N -0.540 120.729 121.223 0.077 0.000 2.017 502 L HA -0.113 4.228 4.340 0.001 0.000 0.208 502 L C 2.588 179.481 176.870 0.037 0.000 1.073 502 L CA 2.007 56.900 54.840 0.089 0.000 0.745 502 L CB -0.963 41.166 42.059 0.118 0.000 0.894 502 L HN 0.332 nan 8.230 nan 0.000 0.432 503 R N -1.051 119.462 120.500 0.023 0.000 2.148 503 R HA -0.036 4.305 4.340 0.001 0.000 0.223 503 R C 1.025 177.306 176.300 -0.031 0.000 1.088 503 R CA 0.152 56.254 56.100 0.004 0.000 0.985 503 R CB -0.222 30.086 30.300 0.013 0.000 0.880 503 R HN 0.186 nan 8.270 nan 0.000 0.451 504 R N 2.054 122.512 120.500 -0.069 0.000 2.316 504 R HA -0.006 4.335 4.340 0.001 0.000 0.314 504 R C -0.006 176.222 176.300 -0.120 0.000 1.069 504 R CA 0.277 56.281 56.100 -0.161 0.000 0.959 504 R CB 0.430 30.534 30.300 -0.326 0.000 0.987 504 R HN 0.120 nan 8.270 nan 0.000 0.446 505 K N 2.102 122.441 120.400 -0.101 0.000 2.477 505 K HA 0.150 4.470 4.320 0.001 0.000 0.208 505 K C 0.250 176.815 176.600 -0.058 0.000 1.117 505 K CA -0.364 55.887 56.287 -0.060 0.000 1.039 505 K CB 0.749 33.231 32.500 -0.029 0.000 0.937 505 K HN 0.404 nan 8.250 nan 0.000 0.570 506 E N 1.543 121.687 120.200 -0.093 0.000 2.208 506 E HA 0.070 4.420 4.350 0.001 0.000 0.193 506 E C 0.791 177.367 176.600 -0.040 0.000 0.988 506 E CA 1.086 57.448 56.400 -0.063 0.000 0.828 506 E CB 0.353 30.005 29.700 -0.079 0.000 0.763 506 E HN 0.497 nan 8.360 nan 0.000 0.478 507 G N -0.598 108.163 108.800 -0.066 0.000 2.548 507 G HA2 0.345 4.305 3.960 0.001 0.000 0.301 507 G HA3 0.345 4.305 3.960 0.001 0.000 0.301 507 G C -2.950 171.951 174.900 0.000 0.000 1.349 507 G CA -1.104 43.993 45.100 -0.005 0.000 0.792 507 G HN -0.222 nan 8.290 nan 0.000 0.481 508 P HA 0.394 nan 4.420 nan 0.000 0.273 508 P C -0.552 176.835 177.300 0.145 0.000 1.250 508 P CA 0.254 63.437 63.100 0.137 0.000 0.793 508 P CB 1.209 33.106 31.700 0.330 0.000 1.011 509 T N -0.256 114.391 114.554 0.155 0.000 2.909 509 T HA 0.614 4.964 4.350 0.001 0.000 0.299 509 T C -0.982 173.836 174.700 0.196 0.000 1.073 509 T CA -0.330 61.868 62.100 0.163 0.000 0.999 509 T CB 1.569 70.467 68.868 0.050 0.000 1.098 509 T HN 0.470 nan 8.240 nan 0.000 0.477 510 A N 3.090 126.034 122.820 0.207 0.000 2.319 510 A HA 0.780 5.101 4.320 0.001 0.000 0.310 510 A C -0.843 176.805 177.584 0.107 0.000 1.152 510 A CA -0.614 51.562 52.037 0.230 0.000 0.783 510 A CB 0.465 19.708 19.000 0.406 0.000 1.184 510 A HN 0.794 nan 8.150 nan 0.000 0.474 511 L N 3.277 124.485 121.223 -0.025 0.000 2.272 511 L HA 0.442 4.782 4.340 0.001 0.000 0.289 511 L C -0.640 176.254 176.870 0.041 0.000 1.032 511 L CA -0.848 53.931 54.840 -0.100 0.000 0.810 511 L CB 1.637 43.465 42.059 -0.385 0.000 1.205 511 L HN 0.442 nan 8.230 nan 0.000 0.422 512 V N 5.516 125.473 119.914 0.071 0.000 2.364 512 V HA 0.417 4.537 4.120 0.001 0.000 0.272 512 V C 0.182 176.319 176.094 0.071 0.000 1.036 512 V CA -0.351 62.019 62.300 0.117 0.000 0.880 512 V CB 1.243 33.117 31.823 0.084 0.000 0.991 512 V HN 0.529 nan 8.190 nan 0.000 0.460 513 L N 4.024 125.306 121.223 0.100 0.000 2.333 513 L HA 0.677 5.018 4.340 0.001 0.000 0.269 513 L C 0.618 177.518 176.870 0.050 0.000 1.010 513 L CA -0.614 54.270 54.840 0.074 0.000 0.818 513 L CB 2.462 44.584 42.059 0.105 0.000 1.306 513 L HN 0.725 nan 8.230 nan 0.000 0.430 514 T N -2.324 112.222 114.554 -0.013 0.000 2.904 514 T HA 0.257 4.607 4.350 0.001 0.000 0.290 514 T C 0.738 175.348 174.700 -0.150 0.000 1.018 514 T CA -0.494 61.541 62.100 -0.107 0.000 1.075 514 T CB 1.917 70.691 68.868 -0.157 0.000 0.986 514 T HN 0.721 nan 8.240 nan 0.000 0.523 515 R N 0.792 121.097 120.500 -0.324 0.000 2.075 515 R HA 0.024 4.364 4.340 0.001 0.000 0.220 515 R C 1.107 177.193 176.300 -0.356 0.000 1.118 515 R CA 0.239 56.050 56.100 -0.481 0.000 0.986 515 R CB -0.044 29.681 30.300 -0.959 0.000 0.884 515 R HN 0.890 nan 8.270 nan 0.000 0.439 516 Q N 1.023 120.557 119.800 -0.442 0.000 2.368 516 Q HA 0.288 4.629 4.340 0.001 0.000 0.237 516 Q C -1.025 174.783 176.000 -0.321 0.000 0.987 516 Q CA 0.001 55.525 55.803 -0.465 0.000 0.896 516 Q CB 0.939 29.111 28.738 -0.943 0.000 1.241 516 Q HN 0.184 nan 8.270 nan 0.000 0.485 517 A N 1.471 124.150 122.820 -0.234 0.000 2.371 517 A HA 0.534 4.854 4.320 0.001 0.000 0.257 517 A C 0.083 177.560 177.584 -0.178 0.000 1.089 517 A CA -0.044 51.899 52.037 -0.156 0.000 0.794 517 A CB 0.409 19.355 19.000 -0.091 0.000 1.029 517 A HN 0.927 nan 8.150 nan 0.000 0.488 518 V N -0.855 118.951 119.914 -0.180 0.000 3.130 518 V HA 0.757 4.878 4.120 0.001 0.000 0.310 518 V C -3.114 172.782 176.094 -0.330 0.000 1.158 518 V CA -2.616 59.517 62.300 -0.278 0.000 1.029 518 V CB 1.490 33.172 31.823 -0.236 0.000 1.057 518 V HN 0.666 nan 8.190 nan 0.000 0.436 519 P HA 0.222 nan 4.420 nan 0.000 0.270 519 P C -0.909 176.347 177.300 -0.073 0.000 1.227 519 P CA -0.102 62.800 63.100 -0.331 0.000 0.788 519 P CB 0.254 31.730 31.700 -0.373 0.000 0.926 520 L N 1.151 122.408 121.223 0.056 0.000 2.344 520 L HA 0.461 4.802 4.340 0.001 0.000 0.272 520 L C 0.495 177.519 176.870 0.257 0.000 1.035 520 L CA -0.349 54.575 54.840 0.141 0.000 0.807 520 L CB 0.571 42.711 42.059 0.135 0.000 1.237 520 L HN 0.352 nan 8.230 nan 0.000 0.442 521 L N -0.015 121.404 121.223 0.327 0.000 2.341 521 L HA 0.456 4.796 4.340 0.001 0.000 0.267 521 L C 0.497 177.512 176.870 0.242 0.000 1.022 521 L CA -0.676 54.323 54.840 0.265 0.000 0.844 521 L CB 1.626 43.827 42.059 0.236 0.000 1.436 521 L HN 0.556 nan 8.230 nan 0.000 0.483 522 S N 1.236 117.003 115.700 0.111 0.000 2.499 522 S HA 0.216 4.686 4.470 0.001 0.000 0.275 522 S C -1.462 173.040 174.600 -0.164 0.000 1.257 522 S CA -1.456 56.721 58.200 -0.039 0.000 1.050 522 S CB 0.873 64.073 63.200 -0.001 0.000 0.937 522 S HN 0.361 nan 8.310 nan 0.000 0.490 523 P HA -0.191 nan 4.420 nan 0.000 0.218 523 P C 0.779 178.069 177.300 -0.018 0.000 1.146 523 P CA 1.280 64.069 63.100 -0.518 0.000 0.813 523 P CB -0.031 31.184 31.700 -0.808 0.000 0.778 524 E N -0.798 119.362 120.200 -0.065 0.000 2.442 524 E HA -0.021 4.330 4.350 0.001 0.000 0.195 524 E C 1.751 178.321 176.600 -0.050 0.000 1.030 524 E CA 0.119 56.499 56.400 -0.034 0.000 0.869 524 E CB -0.151 29.529 29.700 -0.033 0.000 0.857 524 E HN 0.069 nan 8.360 nan 0.000 0.505 525 K N 1.092 121.486 120.400 -0.009 0.000 2.099 525 K HA 0.162 4.482 4.320 0.001 0.000 0.203 525 K C 2.203 178.775 176.600 -0.047 0.000 1.047 525 K CA 1.052 57.358 56.287 0.032 0.000 0.963 525 K CB -0.319 32.259 32.500 0.131 0.000 0.759 525 K HN 0.177 nan 8.250 nan 0.000 0.451 526 A N 2.058 124.933 122.820 0.092 0.000 2.076 526 A HA -0.173 4.148 4.320 0.001 0.000 0.220 526 A C 2.067 179.595 177.584 -0.093 0.000 1.160 526 A CA 1.106 53.250 52.037 0.177 0.000 0.653 526 A CB -0.355 18.915 19.000 0.450 0.000 0.801 526 A HN 0.139 nan 8.150 nan 0.000 0.455 527 R N -0.608 119.679 120.500 -0.354 0.000 2.117 527 R HA -0.183 4.157 4.340 0.001 0.000 0.243 527 R C 2.313 178.219 176.300 -0.657 0.000 1.143 527 R CA 1.372 56.947 56.100 -0.875 0.000 0.968 527 R CB -1.240 28.714 30.300 -0.576 0.000 0.863 527 R HN 0.568 nan 8.270 nan 0.000 0.444 528 G N 1.345 109.668 108.800 -0.795 0.000 2.485 528 G HA2 -0.276 3.685 3.960 0.001 0.000 0.221 528 G HA3 -0.276 3.685 3.960 0.001 0.000 0.221 528 G C 1.502 176.052 174.900 -0.584 0.000 1.115 528 G CA 0.651 45.150 45.100 -1.002 0.000 0.751 528 G HN 0.380 nan 8.290 nan 0.000 0.567 529 L N 0.095 121.087 121.223 -0.385 0.000 2.263 529 L HA -0.048 4.293 4.340 0.001 0.000 0.216 529 L C 2.464 179.361 176.870 0.044 0.000 1.111 529 L CA 0.897 55.765 54.840 0.046 0.000 0.773 529 L CB -0.086 42.069 42.059 0.160 0.000 0.906 529 L HN 0.230 nan 8.230 nan 0.000 0.439 530 L N -0.590 120.591 121.223 -0.070 0.000 2.353 530 L HA -0.125 4.216 4.340 0.001 0.000 0.220 530 L C 2.079 178.959 176.870 0.018 0.000 1.133 530 L CA 0.491 55.316 54.840 -0.025 0.000 0.798 530 L CB -0.525 41.469 42.059 -0.107 0.000 0.922 530 L HN 0.285 nan 8.230 nan 0.000 0.445 531 R N -0.259 120.265 120.500 0.039 0.000 2.334 531 R HA 0.204 4.545 4.340 0.001 0.000 0.216 531 R C 1.502 177.978 176.300 0.293 0.000 0.905 531 R CA 0.729 56.891 56.100 0.104 0.000 1.064 531 R CB 0.435 30.785 30.300 0.083 0.000 1.046 531 R HN 0.385 nan 8.270 nan 0.000 0.508 532 G N 0.325 109.275 108.800 0.249 0.000 2.708 532 G HA2 -0.277 3.684 3.960 0.001 0.000 0.229 532 G HA3 -0.277 3.684 3.960 0.001 0.000 0.229 532 G C 0.401 175.434 174.900 0.221 0.000 1.236 532 G CA 0.154 45.407 45.100 0.256 0.000 0.749 532 G HN 0.677 nan 8.290 nan 0.000 0.515 533 G N -0.677 108.307 108.800 0.307 0.000 2.731 533 G HA2 0.852 4.812 3.960 0.001 0.000 0.298 533 G HA3 0.852 4.812 3.960 0.001 0.000 0.298 533 G C -0.964 174.063 174.900 0.213 0.000 1.424 533 G CA 0.268 45.299 45.100 -0.114 0.000 1.029 533 G HN 1.666 nan 8.290 nan 0.000 0.518 534 Y N -0.746 119.518 120.300 -0.061 0.000 2.670 534 Y HA 0.705 5.255 4.550 0.001 0.000 0.334 534 Y C -1.005 174.865 175.900 -0.049 0.000 1.185 534 Y CA -1.795 56.320 58.100 0.026 0.000 1.053 534 Y CB 1.069 39.599 38.460 0.117 0.000 1.298 534 Y HN 0.411 nan 8.280 nan 0.000 0.459 535 V N 3.979 123.895 119.914 0.003 0.000 2.387 535 V HA 0.078 4.199 4.120 0.001 0.000 0.260 535 V C 1.037 177.114 176.094 -0.028 0.000 1.054 535 V CA -0.017 62.234 62.300 -0.082 0.000 0.967 535 V CB 0.340 32.159 31.823 -0.006 0.000 1.036 535 V HN 0.992 nan 8.190 nan 0.000 0.481 536 L N 2.888 123.985 121.223 -0.211 0.000 2.049 536 L HA 0.196 4.536 4.340 0.001 0.000 0.203 536 L C 0.934 177.804 176.870 -0.000 0.000 1.074 536 L CA 1.259 56.057 54.840 -0.070 0.000 0.749 536 L CB 0.422 42.364 42.059 -0.193 0.000 0.907 536 L HN 0.547 nan 8.230 nan 0.000 0.439 537 E N 0.883 121.053 120.200 -0.049 0.000 2.235 537 E HA 0.179 4.529 4.350 0.001 0.000 0.252 537 E C -1.399 175.176 176.600 -0.041 0.000 0.886 537 E CA -0.240 56.143 56.400 -0.029 0.000 0.767 537 E CB 1.267 30.946 29.700 -0.035 0.000 1.205 537 E HN 0.184 nan 8.360 nan 0.000 0.421 538 D N 1.840 122.228 120.400 -0.020 0.000 2.387 538 D HA 0.521 5.161 4.640 0.001 0.000 0.255 538 D C -0.505 175.782 176.300 -0.022 0.000 1.081 538 D CA -0.583 53.404 54.000 -0.022 0.000 0.994 538 D CB 1.798 42.596 40.800 -0.003 0.000 1.127 538 D HN 0.193 nan 8.370 nan 0.000 0.513 539 V N -1.307 118.593 119.914 -0.023 0.000 3.147 539 V HA 0.443 4.564 4.120 0.001 0.000 0.306 539 V C -0.425 175.663 176.094 -0.011 0.000 1.209 539 V CA -1.105 61.184 62.300 -0.019 0.000 1.023 539 V CB 1.460 33.264 31.823 -0.032 0.000 1.059 539 V HN 0.638 nan 8.190 nan 0.000 0.435 540 E N 2.861 123.058 120.200 -0.005 0.000 2.406 540 E HA 0.119 4.469 4.350 0.001 0.000 0.258 540 E C 0.387 176.987 176.600 0.000 0.000 1.043 540 E CA 0.830 57.230 56.400 -0.000 0.000 0.929 540 E CB 0.109 29.810 29.700 0.002 0.000 0.969 540 E HN 1.019 nan 8.360 nan 0.000 0.462 541 E N 3.070 123.271 120.200 0.003 0.000 2.359 541 E HA -0.194 4.157 4.350 0.001 0.000 0.157 541 E C -2.159 174.445 176.600 0.006 0.000 1.718 541 E CA -0.161 56.242 56.400 0.006 0.000 0.620 541 E CB -1.260 28.445 29.700 0.008 0.000 1.057 541 E HN 0.305 nan 8.360 nan 0.000 0.322 542 P HA -0.133 nan 4.420 nan 0.000 0.268 542 P C -0.047 177.268 177.300 0.024 0.000 1.208 542 P CA 0.320 63.418 63.100 -0.004 0.000 0.777 542 P CB 0.700 32.387 31.700 -0.022 0.000 0.875 543 Q N 0.413 120.241 119.800 0.047 0.000 2.356 543 Q HA 0.320 4.660 4.340 0.001 0.000 0.205 543 Q C 0.990 177.118 176.000 0.213 0.000 0.901 543 Q CA 0.161 56.029 55.803 0.109 0.000 0.938 543 Q CB 0.535 29.354 28.738 0.134 0.000 1.081 543 Q HN 0.723 nan 8.270 nan 0.000 0.517 544 G N -0.444 108.455 108.800 0.164 0.000 2.428 544 G HA2 0.442 4.402 3.960 0.001 0.000 0.304 544 G HA3 0.442 4.402 3.960 0.001 0.000 0.304 544 G C -1.853 173.051 174.900 0.007 0.000 1.303 544 G CA -0.580 44.669 45.100 0.249 0.000 0.825 544 G HN -0.074 nan 8.290 nan 0.000 0.484 545 V N 0.102 120.039 119.914 0.038 0.000 2.888 545 V HA 0.581 4.701 4.120 0.001 0.000 0.309 545 V C -0.570 175.474 176.094 -0.083 0.000 1.114 545 V CA -0.624 61.637 62.300 -0.064 0.000 0.940 545 V CB 1.916 33.732 31.823 -0.011 0.000 1.021 545 V HN 0.678 nan 8.190 nan 0.000 0.426 546 L N 4.159 125.288 121.223 -0.157 0.000 2.295 546 L HA 0.586 4.926 4.340 0.001 0.000 0.281 546 L C -0.433 176.352 176.870 -0.142 0.000 1.018 546 L CA -0.607 54.147 54.840 -0.145 0.000 0.841 546 L CB 1.661 43.610 42.059 -0.182 0.000 1.218 546 L HN 0.466 nan 8.230 nan 0.000 0.424 547 V N 3.712 123.544 119.914 -0.137 0.000 2.439 547 V HA 0.889 5.009 4.120 0.001 0.000 0.282 547 V C 0.022 176.002 176.094 -0.189 0.000 1.039 547 V CA -0.009 62.198 62.300 -0.156 0.000 0.913 547 V CB 1.488 33.250 31.823 -0.102 0.000 0.983 547 V HN 0.871 nan 8.190 nan 0.000 0.460 548 A N 4.413 127.159 122.820 -0.123 0.000 2.593 548 A HA 0.866 5.187 4.320 0.001 0.000 0.290 548 A C -0.552 177.056 177.584 0.040 0.000 1.126 548 A CA -0.352 51.645 52.037 -0.066 0.000 0.695 548 A CB 2.214 21.169 19.000 -0.074 0.000 1.290 548 A HN 0.859 nan 8.150 nan 0.000 0.414 549 T N -0.960 113.660 114.554 0.109 0.000 2.906 549 T HA 0.633 4.984 4.350 0.001 0.000 0.295 549 T C 0.760 175.501 174.700 0.067 0.000 1.061 549 T CA 1.312 63.488 62.100 0.125 0.000 1.000 549 T CB 0.948 69.962 68.868 0.244 0.000 1.103 549 T HN 2.688 nan 8.240 nan 0.000 0.486 550 G N 2.592 111.419 108.800 0.045 0.000 2.627 550 G HA2 -0.350 3.610 3.960 0.001 0.000 0.312 550 G HA3 -0.350 3.610 3.960 0.001 0.000 0.312 550 G C 1.417 176.328 174.900 0.019 0.000 1.299 550 G CA 1.596 46.713 45.100 0.029 0.000 0.989 550 G HN 1.810 nan 8.290 nan 0.000 0.547 551 S N -0.317 115.402 115.700 0.032 0.000 2.400 551 S HA -0.114 4.356 4.470 0.001 0.000 0.232 551 S C 1.817 176.495 174.600 0.129 0.000 1.025 551 S CA 2.267 60.518 58.200 0.085 0.000 0.993 551 S CB -0.270 62.902 63.200 -0.046 0.000 0.808 551 S HN 0.680 nan 8.310 nan 0.000 0.478 552 E N 1.031 121.289 120.200 0.095 0.000 2.409 552 E HA 0.064 4.414 4.350 0.001 0.000 0.198 552 E C 1.818 178.451 176.600 0.055 0.000 1.024 552 E CA 0.392 56.869 56.400 0.129 0.000 0.861 552 E CB -0.545 29.215 29.700 0.101 0.000 0.788 552 E HN 0.442 nan 8.360 nan 0.000 0.521 553 V N 0.245 120.135 119.914 -0.039 0.000 2.407 553 V HA -0.283 3.838 4.120 0.001 0.000 0.248 553 V C 1.487 177.495 176.094 -0.143 0.000 1.055 553 V CA 1.978 64.192 62.300 -0.142 0.000 1.049 553 V CB -0.444 31.230 31.823 -0.248 0.000 0.662 553 V HN 0.401 nan 8.190 nan 0.000 0.455 554 H N -0.887 118.203 119.070 0.034 0.000 2.357 554 H HA -0.066 4.490 4.556 0.001 0.000 0.301 554 H C 2.206 177.569 175.328 0.057 0.000 1.082 554 H CA 1.587 57.659 56.048 0.040 0.000 1.342 554 H CB -0.026 29.761 29.762 0.041 0.000 1.389 554 H HN 0.269 nan 8.280 nan 0.000 0.511 555 L N 0.301 121.651 121.223 0.211 0.000 2.042 555 L HA -0.212 4.128 4.340 0.001 0.000 0.210 555 L C 2.430 179.353 176.870 0.089 0.000 1.076 555 L CA 1.171 56.119 54.840 0.181 0.000 0.749 555 L CB -0.389 41.817 42.059 0.245 0.000 0.893 555 L HN 0.390 nan 8.230 nan 0.000 0.432 556 A N 0.112 122.958 122.820 0.043 0.000 1.877 556 A HA -0.209 4.111 4.320 0.001 0.000 0.216 556 A C 2.141 179.707 177.584 -0.030 0.000 1.186 556 A CA 1.672 53.697 52.037 -0.020 0.000 0.620 556 A CB -0.815 18.147 19.000 -0.064 0.000 0.822 556 A HN 0.477 nan 8.150 nan 0.000 0.443 557 L N -1.020 120.195 121.223 -0.014 0.000 2.012 557 L HA -0.256 4.084 4.340 0.001 0.000 0.210 557 L C 2.905 179.779 176.870 0.007 0.000 1.073 557 L CA 1.830 56.665 54.840 -0.008 0.000 0.748 557 L CB -0.571 41.502 42.059 0.024 0.000 0.891 557 L HN 0.375 nan 8.230 nan 0.000 0.431 558 R N -0.163 120.360 120.500 0.038 0.000 2.091 558 R HA -0.181 4.160 4.340 0.001 0.000 0.238 558 R C 2.420 178.725 176.300 0.009 0.000 1.136 558 R CA 1.461 57.582 56.100 0.036 0.000 0.959 558 R CB -0.558 29.779 30.300 0.061 0.000 0.856 558 R HN 0.397 nan 8.270 nan 0.000 0.437 559 A N 0.966 123.785 122.820 -0.001 0.000 1.933 559 A HA -0.245 4.075 4.320 0.001 0.000 0.218 559 A C 2.121 179.672 177.584 -0.056 0.000 1.175 559 A CA 1.420 53.442 52.037 -0.025 0.000 0.628 559 A CB -0.531 18.449 19.000 -0.033 0.000 0.814 559 A HN 0.423 nan 8.150 nan 0.000 0.444 560 Q N -0.353 119.403 119.800 -0.073 0.000 2.096 560 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 560 Q C 2.098 178.059 176.000 -0.065 0.000 0.982 560 Q CA 1.821 57.564 55.803 -0.099 0.000 0.850 560 Q CB -0.365 28.316 28.738 -0.095 0.000 0.901 560 Q HN 0.593 nan 8.270 nan 0.000 0.422 561 A N 0.643 123.442 122.820 -0.035 0.000 1.930 561 A HA -0.110 4.210 4.320 0.001 0.000 0.217 561 A C 2.035 179.609 177.584 -0.017 0.000 1.175 561 A CA 1.061 53.086 52.037 -0.020 0.000 0.627 561 A CB -0.539 18.459 19.000 -0.004 0.000 0.815 561 A HN 0.456 nan 8.150 nan 0.000 0.443 562 L N -1.148 120.065 121.223 -0.016 0.000 2.056 562 L HA -0.147 4.193 4.340 0.001 0.000 0.207 562 L C 2.400 179.263 176.870 -0.011 0.000 1.078 562 L CA 0.666 55.500 54.840 -0.010 0.000 0.749 562 L CB -0.547 41.508 42.059 -0.006 0.000 0.901 562 L HN 0.283 nan 8.230 nan 0.000 0.433 563 L N -0.141 121.067 121.223 -0.024 0.000 2.046 563 L HA -0.186 4.154 4.340 0.001 0.000 0.208 563 L C 2.698 179.558 176.870 -0.017 0.000 1.077 563 L CA 1.514 56.342 54.840 -0.020 0.000 0.747 563 L CB -0.791 41.227 42.059 -0.069 0.000 0.896 563 L HN 0.178 nan 8.230 nan 0.000 0.432 564 R N 0.398 120.880 120.500 -0.029 0.000 2.096 564 R HA -0.202 4.138 4.340 0.001 0.000 0.235 564 R C 2.183 178.478 176.300 -0.008 0.000 1.127 564 R CA 1.717 57.805 56.100 -0.021 0.000 0.968 564 R CB -0.560 29.726 30.300 -0.024 0.000 0.861 564 R HN 0.511 nan 8.270 nan 0.000 0.440 565 E N -0.045 120.151 120.200 -0.007 0.000 2.209 565 E HA -0.171 4.179 4.350 0.001 0.000 0.196 565 E C 0.601 177.202 176.600 0.002 0.000 0.993 565 E CA 1.029 57.428 56.400 -0.002 0.000 0.819 565 E CB 0.150 29.849 29.700 -0.001 0.000 0.745 565 E HN 0.156 nan 8.360 nan 0.000 0.477 566 K N -0.754 119.649 120.400 0.004 0.000 2.397 566 K HA 0.099 4.420 4.320 0.001 0.000 0.202 566 K C 0.669 177.277 176.600 0.014 0.000 1.022 566 K CA 0.588 56.881 56.287 0.011 0.000 1.141 566 K CB 1.061 33.571 32.500 0.018 0.000 0.857 566 K HN 0.283 nan 8.250 nan 0.000 0.514 567 G N 1.290 110.096 108.800 0.009 0.000 2.153 567 G HA2 -0.235 3.725 3.960 0.001 0.000 0.252 567 G HA3 -0.235 3.725 3.960 0.001 0.000 0.252 567 G C 0.060 174.972 174.900 0.019 0.000 0.994 567 G CA 0.259 45.365 45.100 0.011 0.000 0.698 567 G HN 0.139 nan 8.290 nan 0.000 0.521 568 V N 0.994 120.922 119.914 0.023 0.000 2.347 568 V HA 0.482 4.603 4.120 0.001 0.000 0.280 568 V C 0.701 176.794 176.094 -0.003 0.000 1.021 568 V CA -0.790 61.537 62.300 0.044 0.000 0.847 568 V CB 1.380 33.263 31.823 0.099 0.000 0.990 568 V HN 0.358 nan 8.190 nan 0.000 0.444 569 R N 3.449 123.947 120.500 -0.003 0.000 2.202 569 R HA 0.648 4.988 4.340 0.001 0.000 0.334 569 R C -0.807 175.437 176.300 -0.094 0.000 1.036 569 R CA -0.315 55.760 56.100 -0.042 0.000 0.878 569 R CB 1.772 32.061 30.300 -0.018 0.000 1.067 569 R HN 0.497 nan 8.270 nan 0.000 0.457 570 V N 3.624 123.432 119.914 -0.176 0.000 2.735 570 V HA 0.425 4.546 4.120 0.001 0.000 0.310 570 V C -0.587 175.394 176.094 -0.188 0.000 1.061 570 V CA -1.048 61.086 62.300 -0.276 0.000 0.913 570 V CB 2.021 33.498 31.823 -0.576 0.000 1.005 570 V HN 0.754 nan 8.190 nan 0.000 0.428 571 R N 4.479 124.884 120.500 -0.159 0.000 2.404 571 R HA 0.703 5.043 4.340 0.001 0.000 0.291 571 R C -1.701 174.512 176.300 -0.144 0.000 1.025 571 R CA -0.365 55.663 56.100 -0.118 0.000 0.991 571 R CB 1.679 31.930 30.300 -0.082 0.000 1.053 571 R HN 0.550 nan 8.270 nan 0.000 0.479 572 V N 5.044 124.877 119.914 -0.135 0.000 2.398 572 V HA 0.367 4.488 4.120 0.001 0.000 0.286 572 V C -0.357 175.621 176.094 -0.193 0.000 1.026 572 V CA -0.682 61.524 62.300 -0.156 0.000 0.868 572 V CB 1.707 33.448 31.823 -0.138 0.000 0.982 572 V HN 0.559 nan 8.190 nan 0.000 0.443 573 V N 3.407 123.186 119.914 -0.225 0.000 2.628 573 V HA 0.539 4.659 4.120 0.001 0.000 0.306 573 V C 0.037 175.917 176.094 -0.356 0.000 1.045 573 V CA -0.410 61.699 62.300 -0.317 0.000 0.905 573 V CB 2.218 33.866 31.823 -0.293 0.000 0.997 573 V HN 0.840 nan 8.190 nan 0.000 0.436 574 S N 3.698 119.075 115.700 -0.539 0.000 2.433 574 S HA 0.611 5.081 4.470 0.001 0.000 0.310 574 S C -0.769 173.624 174.600 -0.345 0.000 1.097 574 S CA -0.426 57.519 58.200 -0.426 0.000 1.103 574 S CB 0.843 63.729 63.200 -0.523 0.000 0.992 574 S HN 0.591 nan 8.310 nan 0.000 0.469 575 L N 9.015 130.134 121.223 -0.174 0.000 2.709 575 L HA 0.528 4.869 4.340 0.001 0.000 0.236 575 L C -1.754 175.144 176.870 0.046 0.000 1.266 575 L CA -1.969 52.778 54.840 -0.154 0.000 0.987 575 L CB 1.109 43.030 42.059 -0.229 0.000 1.306 575 L HN 0.445 nan 8.230 nan 0.000 0.467 576 P HA -0.087 nan 4.420 nan 0.000 0.221 576 P C 0.166 177.523 177.300 0.096 0.000 1.145 576 P CA 0.726 63.887 63.100 0.102 0.000 0.795 576 P CB 0.407 32.188 31.700 0.135 0.000 0.775 577 S N -1.766 113.998 115.700 0.107 0.000 2.750 577 S HA 0.368 4.838 4.470 0.001 0.000 0.276 577 S C 0.343 175.047 174.600 0.173 0.000 1.165 577 S CA -0.623 57.623 58.200 0.077 0.000 1.047 577 S CB 0.050 63.223 63.200 -0.045 0.000 1.056 577 S HN -0.295 nan 8.310 nan 0.000 0.481 578 F N 3.347 123.235 119.950 -0.102 0.000 2.095 578 F HA -0.055 4.472 4.527 0.001 0.000 0.298 578 F C 2.678 178.479 175.800 0.002 0.000 1.104 578 F CA 1.749 59.738 58.000 -0.018 0.000 1.232 578 F CB -0.323 38.663 39.000 -0.024 0.000 0.987 578 F HN 0.738 nan 8.300 nan 0.000 0.475 579 E N 0.472 120.687 120.200 0.025 0.000 2.107 579 E HA -0.197 4.153 4.350 0.001 0.000 0.191 579 E C 2.351 178.780 176.600 -0.286 0.000 0.982 579 E CA 1.065 57.362 56.400 -0.171 0.000 0.809 579 E CB -1.270 28.221 29.700 -0.347 0.000 0.756 579 E HN 0.462 nan 8.360 nan 0.000 0.459 580 L N -0.154 120.801 121.223 -0.448 0.000 2.109 580 L HA -0.050 4.291 4.340 0.001 0.000 0.207 580 L C 2.499 179.414 176.870 0.075 0.000 1.086 580 L CA 0.911 55.641 54.840 -0.184 0.000 0.760 580 L CB -0.210 41.788 42.059 -0.103 0.000 0.910 580 L HN 0.010 nan 8.230 nan 0.000 0.437 581 F N 0.559 120.489 119.950 -0.033 0.000 2.146 581 F HA -0.107 4.420 4.527 0.001 0.000 0.298 581 F C 2.305 178.141 175.800 0.061 0.000 1.096 581 F CA 1.189 59.207 58.000 0.030 0.000 1.275 581 F CB -0.512 38.448 39.000 -0.067 0.000 1.008 581 F HN 0.071 nan 8.300 nan 0.000 0.480 582 A N 0.407 123.205 122.820 -0.037 0.000 1.972 582 A HA 0.000 4.321 4.320 0.001 0.000 0.219 582 A C 2.377 179.912 177.584 -0.081 0.000 1.169 582 A CA 1.506 53.486 52.037 -0.096 0.000 0.635 582 A CB -1.477 17.551 19.000 0.047 0.000 0.810 582 A HN 0.479 nan 8.150 nan 0.000 0.446 583 A N -0.952 121.859 122.820 -0.015 0.000 2.015 583 A HA -0.001 4.320 4.320 0.001 0.000 0.219 583 A C 1.254 178.833 177.584 -0.008 0.000 1.163 583 A CA 0.555 52.607 52.037 0.025 0.000 0.646 583 A CB -0.280 18.781 19.000 0.102 0.000 0.806 583 A HN 0.521 nan 8.150 nan 0.000 0.448 584 Q N 0.461 120.235 119.800 -0.044 0.000 2.479 584 Q HA 0.178 4.518 4.340 0.001 0.000 0.267 584 Q C -2.300 173.684 176.000 -0.028 0.000 1.071 584 Q CA -1.681 54.103 55.803 -0.032 0.000 0.935 584 Q CB -0.315 28.451 28.738 0.047 0.000 1.295 584 Q HN 0.345 nan 8.270 nan 0.000 0.476 585 P HA -0.027 nan 4.420 nan 0.000 0.271 585 P C 0.363 177.685 177.300 0.037 0.000 1.216 585 P CA 0.064 63.178 63.100 0.022 0.000 0.776 585 P CB 0.810 32.529 31.700 0.032 0.000 0.881 586 E N 3.064 123.268 120.200 0.006 0.000 2.065 586 E HA -0.295 4.056 4.350 0.001 0.000 0.201 586 E C 1.880 178.494 176.600 0.023 0.000 1.016 586 E CA 2.035 58.433 56.400 -0.004 0.000 0.818 586 E CB -0.531 29.168 29.700 -0.002 0.000 0.749 586 E HN 0.522 nan 8.360 nan 0.000 0.453 587 A N 0.131 122.980 122.820 0.048 0.000 1.958 587 A HA -0.249 4.071 4.320 0.001 0.000 0.221 587 A C 2.079 179.719 177.584 0.094 0.000 1.178 587 A CA 1.848 53.922 52.037 0.063 0.000 0.642 587 A CB -1.024 18.016 19.000 0.067 0.000 0.816 587 A HN 0.658 nan 8.150 nan 0.000 0.453 588 Y N 0.340 120.643 120.300 0.004 0.000 2.163 588 Y HA -0.138 4.412 4.550 0.001 0.000 0.288 588 Y C 2.412 178.348 175.900 0.060 0.000 1.136 588 Y CA 1.953 60.071 58.100 0.030 0.000 1.147 588 Y CB -0.382 38.090 38.460 0.019 0.000 0.987 588 Y HN 0.273 nan 8.280 nan 0.000 0.509 589 R N 0.304 120.736 120.500 -0.114 0.000 2.120 589 R HA -0.126 4.215 4.340 0.001 0.000 0.234 589 R C 2.157 178.441 176.300 -0.027 0.000 1.123 589 R CA 1.406 57.418 56.100 -0.146 0.000 0.975 589 R CB -0.107 30.034 30.300 -0.265 0.000 0.866 589 R HN 0.158 nan 8.270 nan 0.000 0.446 590 K N 0.800 121.185 120.400 -0.026 0.000 2.097 590 K HA -0.118 4.202 4.320 0.001 0.000 0.205 590 K C 1.792 178.382 176.600 -0.016 0.000 1.050 590 K CA 1.271 57.560 56.287 0.004 0.000 0.938 590 K CB 0.002 32.510 32.500 0.014 0.000 0.718 590 K HN 0.399 nan 8.250 nan 0.000 0.442 591 E N 0.571 120.735 120.200 -0.060 0.000 2.007 591 E HA -0.137 4.214 4.350 0.001 0.000 0.194 591 E C 2.131 178.679 176.600 -0.086 0.000 0.999 591 E CA 1.312 57.675 56.400 -0.062 0.000 0.811 591 E CB -0.206 29.454 29.700 -0.066 0.000 0.762 591 E HN -0.061 nan 8.360 nan 0.000 0.450 592 V N 1.393 121.199 119.914 -0.181 0.000 2.282 592 V HA -0.211 3.910 4.120 0.001 0.000 0.249 592 V C 1.512 177.564 176.094 -0.070 0.000 1.057 592 V CA 1.387 63.598 62.300 -0.148 0.000 1.032 592 V CB -0.411 31.291 31.823 -0.201 0.000 0.645 592 V HN 0.213 nan 8.190 nan 0.000 0.447 593 L N 2.680 123.902 121.223 -0.003 0.000 2.502 593 L HA 0.354 4.695 4.340 0.001 0.000 0.247 593 L C -2.474 174.431 176.870 0.058 0.000 1.180 593 L CA -1.519 53.346 54.840 0.042 0.000 0.956 593 L CB 1.135 43.259 42.059 0.108 0.000 1.282 593 L HN 0.172 nan 8.230 nan 0.000 0.470 594 P HA 0.116 nan 4.420 nan 0.000 0.267 594 P C -2.407 174.930 177.300 0.063 0.000 1.209 594 P CA -0.927 62.198 63.100 0.041 0.000 0.763 594 P CB 0.116 31.832 31.700 0.027 0.000 0.816 595 P HA -0.004 nan 4.420 nan 0.000 0.267 595 P C 0.978 178.316 177.300 0.063 0.000 1.200 595 P CA 0.871 64.013 63.100 0.071 0.000 0.772 595 P CB 0.186 31.918 31.700 0.053 0.000 0.855 596 G N 1.325 110.170 108.800 0.075 0.000 2.234 596 G HA2 -0.199 3.761 3.960 0.001 0.000 0.235 596 G HA3 -0.199 3.761 3.960 0.001 0.000 0.235 596 G C -0.094 174.820 174.900 0.024 0.000 0.997 596 G CA -0.227 44.898 45.100 0.042 0.000 0.623 596 G HN 0.493 nan 8.290 nan 0.000 0.514 597 L N 2.975 124.231 121.223 0.055 0.000 2.289 597 L HA 0.431 4.771 4.340 0.001 0.000 0.285 597 L C -1.631 175.261 176.870 0.036 0.000 1.049 597 L CA -2.074 52.794 54.840 0.048 0.000 0.804 597 L CB 1.504 43.608 42.059 0.074 0.000 1.195 597 L HN -0.006 nan 8.230 nan 0.000 0.428 598 P HA 0.087 nan 4.420 nan 0.000 0.271 598 P C -0.935 176.477 177.300 0.186 0.000 1.220 598 P CA -0.121 62.848 63.100 -0.218 0.000 0.768 598 P CB 1.359 32.901 31.700 -0.264 0.000 0.848 599 V N 4.628 124.792 119.914 0.417 0.000 2.444 599 V HA 0.228 4.348 4.120 0.001 0.000 0.294 599 V C 0.257 176.512 176.094 0.267 0.000 1.022 599 V CA -0.752 61.756 62.300 0.347 0.000 0.850 599 V CB 2.218 34.215 31.823 0.290 0.000 0.992 599 V HN 0.272 nan 8.190 nan 0.000 0.426 600 V N 4.379 124.409 119.914 0.193 0.000 2.370 600 V HA 0.749 4.869 4.120 0.001 0.000 0.283 600 V C 0.501 176.554 176.094 -0.068 0.000 1.023 600 V CA -0.394 61.962 62.300 0.093 0.000 0.857 600 V CB 1.611 33.533 31.823 0.166 0.000 0.985 600 V HN 0.988 nan 8.190 nan 0.000 0.443 601 A N 5.146 127.842 122.820 -0.207 0.000 2.306 601 A HA 0.856 5.176 4.320 0.001 0.000 0.314 601 A C -0.658 176.623 177.584 -0.504 0.000 1.164 601 A CA -0.481 51.233 52.037 -0.538 0.000 0.822 601 A CB 1.281 19.646 19.000 -1.058 0.000 1.130 601 A HN 0.723 nan 8.150 nan 0.000 0.496 602 V N 1.954 121.592 119.914 -0.460 0.000 2.482 602 V HA 0.625 4.746 4.120 0.001 0.000 0.295 602 V C -0.413 175.610 176.094 -0.119 0.000 1.026 602 V CA -0.366 61.820 62.300 -0.189 0.000 0.856 602 V CB 1.128 32.928 31.823 -0.038 0.000 1.001 602 V HN 1.014 nan 8.190 nan 0.000 0.424 603 E N 3.327 123.542 120.200 0.025 0.000 2.311 603 E HA 0.619 4.970 4.350 0.001 0.000 0.281 603 E C -0.390 176.290 176.600 0.133 0.000 0.905 603 E CA -0.687 55.788 56.400 0.124 0.000 0.778 603 E CB 1.961 31.865 29.700 0.339 0.000 1.240 603 E HN 0.836 nan 8.360 nan 0.000 0.410 604 A N 3.529 126.250 122.820 -0.165 0.000 3.046 604 A HA 0.527 4.848 4.320 0.001 0.000 0.259 604 A C 0.325 177.886 177.584 -0.038 0.000 1.843 604 A CA 0.836 52.605 52.037 -0.447 0.000 1.451 604 A CB -0.678 17.962 19.000 -0.599 0.000 1.025 604 A HN 0.555 nan 8.150 nan 0.000 0.625 605 G N -1.138 107.746 108.800 0.139 0.000 2.606 605 G HA2 0.635 4.596 3.960 0.001 0.000 0.300 605 G HA3 0.635 4.596 3.960 0.001 0.000 0.300 605 G C -0.292 174.720 174.900 0.187 0.000 1.360 605 G CA -0.113 45.075 45.100 0.146 0.000 0.783 605 G HN 1.057 nan 8.290 nan 0.000 0.484 606 A N -0.230 122.672 122.820 0.136 0.000 2.561 606 A HA 0.453 4.773 4.320 0.001 0.000 0.234 606 A C 1.775 179.483 177.584 0.207 0.000 1.055 606 A CA 0.989 53.095 52.037 0.116 0.000 0.756 606 A CB 0.202 19.233 19.000 0.051 0.000 0.986 606 A HN 1.888 nan 8.150 nan 0.000 0.505 607 S N 2.271 118.082 115.700 0.185 0.000 2.414 607 S HA -0.035 4.435 4.470 0.001 0.000 0.227 607 S C 0.822 175.573 174.600 0.251 0.000 1.022 607 S CA 0.457 58.819 58.200 0.270 0.000 0.958 607 S CB -0.600 62.694 63.200 0.156 0.000 0.797 607 S HN 0.971 nan 8.310 nan 0.000 0.493 608 L N 3.099 124.399 121.223 0.128 0.000 2.737 608 L HA 0.360 4.701 4.340 0.001 0.000 0.275 608 L C 1.175 178.079 176.870 0.057 0.000 1.179 608 L CA 1.377 56.262 54.840 0.075 0.000 0.970 608 L CB -0.626 41.447 42.059 0.025 0.000 1.268 608 L HN 0.580 nan 8.230 nan 0.000 0.485 609 G N 3.332 112.171 108.800 0.065 0.000 2.352 609 G HA2 -0.312 3.648 3.960 0.001 0.000 0.204 609 G HA3 -0.312 3.648 3.960 0.001 0.000 0.204 609 G C 0.672 175.604 174.900 0.055 0.000 1.004 609 G CA 0.260 45.371 45.100 0.018 0.000 0.648 609 G HN 0.662 nan 8.290 nan 0.000 0.491 610 W N 1.585 122.975 121.300 0.149 0.000 2.525 610 W HA 0.295 4.956 4.660 0.001 0.000 0.259 610 W C 2.178 178.738 176.519 0.067 0.000 1.253 610 W CA 1.223 58.674 57.345 0.177 0.000 1.262 610 W CB 0.181 29.739 29.460 0.162 0.000 1.122 610 W HN 0.382 nan 8.180 nan 0.000 0.607 611 E N -0.092 120.236 120.200 0.215 0.000 2.331 611 E HA -0.233 4.117 4.350 0.001 0.000 0.199 611 E C 1.876 178.460 176.600 -0.027 0.000 1.008 611 E CA 0.974 57.421 56.400 0.078 0.000 0.843 611 E CB -0.283 29.438 29.700 0.034 0.000 0.761 611 E HN 0.261 nan 8.360 nan 0.000 0.507 612 R N -0.599 119.847 120.500 -0.090 0.000 2.115 612 R HA -0.124 4.217 4.340 0.001 0.000 0.230 612 R C 0.790 176.811 176.300 -0.465 0.000 1.111 612 R CA 1.261 57.156 56.100 -0.342 0.000 0.976 612 R CB 0.083 30.061 30.300 -0.537 0.000 0.870 612 R HN 0.269 nan 8.270 nan 0.000 0.445 613 Y N -1.891 118.421 120.300 0.020 0.000 2.432 613 Y HA 0.482 5.033 4.550 0.001 0.000 0.252 613 Y C 0.215 176.150 175.900 0.057 0.000 1.097 613 Y CA -0.028 58.092 58.100 0.034 0.000 1.250 613 Y CB 1.087 39.562 38.460 0.026 0.000 1.245 613 Y HN 0.068 nan 8.280 nan 0.000 0.522 614 A N -1.240 121.700 122.820 0.200 0.000 2.469 614 A HA 0.595 4.915 4.320 0.001 0.000 0.299 614 A C -0.607 176.931 177.584 -0.077 0.000 1.098 614 A CA -0.517 51.573 52.037 0.089 0.000 0.737 614 A CB 0.659 19.752 19.000 0.154 0.000 1.312 614 A HN 0.312 nan 8.150 nan 0.000 0.414 615 H N 0.085 119.202 119.070 0.078 0.000 2.465 615 H HA 0.243 4.800 4.556 0.001 0.000 0.289 615 H C 0.593 175.937 175.328 0.027 0.000 1.022 615 H CA 1.573 57.646 56.048 0.042 0.000 1.340 615 H CB 0.367 30.139 29.762 0.016 0.000 1.437 615 H HN 0.549 nan 8.280 nan 0.000 0.539 616 K N 0.345 120.823 120.400 0.131 0.000 2.512 616 K HA 0.539 4.860 4.320 0.001 0.000 0.263 616 K C -1.860 174.743 176.600 0.005 0.000 0.966 616 K CA -1.009 55.312 56.287 0.055 0.000 0.851 616 K CB 2.862 35.380 32.500 0.030 0.000 1.395 616 K HN -0.070 nan 8.250 nan 0.000 0.440 617 V N 3.220 123.114 119.914 -0.034 0.000 2.711 617 V HA 0.359 4.480 4.120 0.001 0.000 0.304 617 V C -1.495 174.527 176.094 -0.121 0.000 1.097 617 V CA -0.644 61.581 62.300 -0.125 0.000 0.906 617 V CB 1.970 33.722 31.823 -0.118 0.000 1.015 617 V HN 0.538 nan 8.190 nan 0.000 0.427 618 V N 7.721 127.540 119.914 -0.158 0.000 2.313 618 V HA 0.752 4.872 4.120 0.001 0.000 0.252 618 V C 0.735 176.773 176.094 -0.094 0.000 1.112 618 V CA 0.793 62.984 62.300 -0.180 0.000 0.984 618 V CB 0.062 31.766 31.823 -0.199 0.000 1.157 618 V HN 1.099 nan 8.190 nan 0.000 0.493 619 A N 4.818 127.608 122.820 -0.050 0.000 2.548 619 A HA 1.006 5.327 4.320 0.001 0.000 0.262 619 A C -1.189 176.506 177.584 0.187 0.000 1.271 619 A CA -0.724 51.414 52.037 0.169 0.000 0.839 619 A CB 1.522 20.612 19.000 0.149 0.000 1.381 619 A HN 0.624 nan 8.150 nan 0.000 0.468 620 L N 0.107 121.481 121.223 0.252 0.000 2.404 620 L HA 0.586 4.926 4.340 0.001 0.000 0.272 620 L C -1.568 175.350 176.870 0.081 0.000 0.980 620 L CA -0.065 54.886 54.840 0.184 0.000 0.836 620 L CB 1.781 44.010 42.059 0.283 0.000 1.238 620 L HN 0.565 nan 8.230 nan 0.000 0.408 621 D N 5.108 125.517 120.400 0.013 0.000 2.788 621 D HA 0.255 4.895 4.640 0.001 0.000 0.289 621 D C -0.416 175.809 176.300 -0.125 0.000 1.340 621 D CA 0.009 53.982 54.000 -0.046 0.000 0.831 621 D CB 0.523 41.303 40.800 -0.032 0.000 1.103 621 D HN 0.628 nan 8.370 nan 0.000 0.476 622 R N -1.620 118.800 120.500 -0.133 0.000 2.710 622 R HA 0.471 4.812 4.340 0.001 0.000 0.270 622 R C -0.757 175.450 176.300 -0.154 0.000 1.021 622 R CA -0.791 55.188 56.100 -0.203 0.000 0.889 622 R CB 0.515 30.776 30.300 -0.066 0.000 1.243 622 R HN -0.348 nan 8.270 nan 0.000 0.464 623 F N 0.699 120.679 119.950 0.051 0.000 2.490 623 F HA 0.350 4.877 4.527 0.001 0.000 0.336 623 F C 1.779 177.611 175.800 0.055 0.000 1.178 623 F CA 1.201 59.233 58.000 0.054 0.000 1.301 623 F CB 0.358 39.388 39.000 0.049 0.000 1.175 623 F HN 0.817 nan 8.300 nan 0.000 0.593 624 G N -0.060 108.903 108.800 0.271 0.000 2.529 624 G HA2 0.540 4.500 3.960 0.001 0.000 0.234 624 G HA3 0.540 4.500 3.960 0.001 0.000 0.234 624 G C -1.209 173.771 174.900 0.133 0.000 1.527 624 G CA 0.150 45.350 45.100 0.167 0.000 1.062 624 G HN 0.975 nan 8.290 nan 0.000 0.558 625 A N -1.985 120.894 122.820 0.098 0.000 2.594 625 A HA 0.580 4.900 4.320 0.001 0.000 0.296 625 A C -0.371 177.245 177.584 0.053 0.000 1.061 625 A CA 0.033 52.114 52.037 0.073 0.000 0.689 625 A CB 1.037 20.079 19.000 0.070 0.000 1.280 625 A HN 1.274 nan 8.150 nan 0.000 0.406 626 S N 0.517 116.239 115.700 0.036 0.000 2.430 626 S HA 0.640 5.111 4.470 0.001 0.000 0.282 626 S C 0.007 174.622 174.600 0.025 0.000 1.186 626 S CA 0.596 58.807 58.200 0.019 0.000 1.060 626 S CB -0.425 62.779 63.200 0.006 0.000 0.966 626 S HN 2.330 nan 8.310 nan 0.000 0.501 627 A N 6.036 128.874 122.820 0.030 0.000 2.590 627 A HA 0.693 5.013 4.320 0.001 0.000 0.294 627 A C -3.294 174.317 177.584 0.045 0.000 1.046 627 A CA -1.291 50.767 52.037 0.034 0.000 0.684 627 A CB 0.692 19.716 19.000 0.041 0.000 1.279 627 A HN 0.568 nan 8.150 nan 0.000 0.415 628 P HA 0.376 nan 4.420 nan 0.000 0.272 628 P C -1.076 176.279 177.300 0.091 0.000 1.240 628 P CA 0.036 63.171 63.100 0.058 0.000 0.791 628 P CB 0.251 31.972 31.700 0.035 0.000 0.978 629 Y N 2.969 123.261 120.300 -0.014 0.000 2.334 629 Y HA 0.379 4.930 4.550 0.001 0.000 0.328 629 Y C -1.201 174.692 175.900 -0.011 0.000 1.130 629 Y CA -1.941 56.150 58.100 -0.015 0.000 1.163 629 Y CB 0.920 39.334 38.460 -0.076 0.000 1.207 629 Y HN 0.347 nan 8.280 nan 0.000 0.471 630 P HA -0.037 nan 4.420 nan 0.000 0.245 630 P C 0.796 177.935 177.300 -0.268 0.000 1.206 630 P CA 0.743 63.215 63.100 -1.046 0.000 0.781 630 P CB 0.252 31.380 31.700 -0.953 0.000 0.994 631 E N 0.811 120.930 120.200 -0.136 0.000 2.086 631 E HA -0.196 4.154 4.350 0.001 0.000 0.200 631 E C 1.866 178.485 176.600 0.032 0.000 1.012 631 E CA 1.530 57.910 56.400 -0.034 0.000 0.812 631 E CB -0.498 29.191 29.700 -0.019 0.000 0.743 631 E HN 0.014 nan 8.360 nan 0.000 0.453 632 V N -0.042 119.915 119.914 0.072 0.000 2.490 632 V HA -0.224 3.896 4.120 0.001 0.000 0.250 632 V C 1.925 178.134 176.094 0.191 0.000 1.061 632 V CA 2.200 64.570 62.300 0.117 0.000 1.064 632 V CB -0.507 31.392 31.823 0.125 0.000 0.670 632 V HN 0.539 nan 8.190 nan 0.000 0.461 633 Y N 0.936 121.283 120.300 0.078 0.000 2.220 633 Y HA -0.140 4.410 4.550 0.001 0.000 0.291 633 Y C 2.471 178.472 175.900 0.168 0.000 1.129 633 Y CA 2.186 60.370 58.100 0.141 0.000 1.161 633 Y CB 0.057 38.615 38.460 0.163 0.000 0.997 633 Y HN 0.382 nan 8.280 nan 0.000 0.522 634 E N 0.019 120.288 120.200 0.116 0.000 2.072 634 E HA -0.166 4.185 4.350 0.001 0.000 0.191 634 E C 2.055 178.644 176.600 -0.018 0.000 0.985 634 E CA 1.002 57.407 56.400 0.009 0.000 0.801 634 E CB -0.139 29.567 29.700 0.011 0.000 0.750 634 E HN 0.465 nan 8.360 nan 0.000 0.452 635 R N 0.354 120.861 120.500 0.011 0.000 2.307 635 R HA 0.059 4.399 4.340 0.001 0.000 0.199 635 R C 1.660 177.959 176.300 -0.001 0.000 1.000 635 R CA 0.317 56.416 56.100 -0.002 0.000 1.023 635 R CB 0.059 30.366 30.300 0.011 0.000 0.908 635 R HN 0.164 nan 8.270 nan 0.000 0.473 636 L N -0.342 120.901 121.223 0.033 0.000 2.611 636 L HA 0.183 4.524 4.340 0.001 0.000 0.229 636 L C 0.883 177.703 176.870 -0.083 0.000 1.137 636 L CA 0.219 55.090 54.840 0.052 0.000 0.901 636 L CB 0.551 42.718 42.059 0.179 0.000 1.098 636 L HN 0.430 nan 8.230 nan 0.000 0.456 637 G N -0.644 108.043 108.800 -0.188 0.000 2.179 637 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 637 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 637 G C 0.010 174.507 174.900 -0.672 0.000 0.990 637 G CA -0.619 44.235 45.100 -0.410 0.000 0.646 637 G HN 0.165 nan 8.290 nan 0.000 0.517 638 F N 2.904 122.655 119.950 -0.332 0.000 2.329 638 F HA 0.570 5.097 4.527 0.001 0.000 0.362 638 F C 0.902 176.494 175.800 -0.346 0.000 1.113 638 F CA 0.280 57.995 58.000 -0.475 0.000 1.212 638 F CB 1.095 39.456 39.000 -1.065 0.000 1.509 638 F HN 0.239 nan 8.300 nan 0.000 0.546 639 T N -0.927 113.563 114.554 -0.107 0.000 2.903 639 T HA 0.399 4.750 4.350 0.001 0.000 0.299 639 T C -2.415 172.275 174.700 -0.015 0.000 1.093 639 T CA -2.338 59.743 62.100 -0.031 0.000 1.002 639 T CB 2.401 71.241 68.868 -0.048 0.000 1.127 639 T HN -0.086 nan 8.240 nan 0.000 0.488 640 P HA -0.061 nan 4.420 nan 0.000 0.216 640 P C 1.399 178.693 177.300 -0.011 0.000 1.150 640 P CA 0.884 63.990 63.100 0.010 0.000 0.837 640 P CB 0.226 31.938 31.700 0.020 0.000 0.786 641 E N -0.472 119.717 120.200 -0.018 0.000 2.058 641 E HA -0.249 4.102 4.350 0.001 0.000 0.194 641 E C 2.180 178.757 176.600 -0.039 0.000 0.997 641 E CA 1.006 57.391 56.400 -0.024 0.000 0.801 641 E CB -0.095 29.588 29.700 -0.028 0.000 0.746 641 E HN -0.090 nan 8.360 nan 0.000 0.450 642 R N 0.222 120.683 120.500 -0.066 0.000 2.073 642 R HA -0.106 4.235 4.340 0.001 0.000 0.234 642 R C 2.380 178.631 176.300 -0.082 0.000 1.134 642 R CA 1.015 57.056 56.100 -0.098 0.000 0.952 642 R CB -0.847 29.350 30.300 -0.171 0.000 0.850 642 R HN 0.196 nan 8.270 nan 0.000 0.433 643 V N 0.942 120.816 119.914 -0.067 0.000 2.358 643 V HA -0.196 3.924 4.120 0.001 0.000 0.246 643 V C 2.531 178.630 176.094 0.008 0.000 1.047 643 V CA 1.743 64.019 62.300 -0.039 0.000 1.035 643 V CB -0.880 30.926 31.823 -0.028 0.000 0.658 643 V HN 0.322 nan 8.190 nan 0.000 0.452 644 A N -0.071 122.753 122.820 0.006 0.000 1.877 644 A HA -0.246 4.075 4.320 0.001 0.000 0.216 644 A C 2.170 179.794 177.584 0.067 0.000 1.186 644 A CA 1.924 53.983 52.037 0.037 0.000 0.620 644 A CB -0.480 18.529 19.000 0.014 0.000 0.822 644 A HN 0.625 nan 8.150 nan 0.000 0.443 645 E N -0.310 119.903 120.200 0.021 0.000 2.208 645 E HA -0.024 4.326 4.350 0.001 0.000 0.193 645 E C 2.208 178.810 176.600 0.003 0.000 0.988 645 E CA 0.655 57.060 56.400 0.008 0.000 0.828 645 E CB -0.237 29.452 29.700 -0.018 0.000 0.763 645 E HN 0.629 nan 8.360 nan 0.000 0.478 646 A N 1.121 123.945 122.820 0.007 0.000 1.898 646 A HA -0.165 4.155 4.320 0.001 0.000 0.216 646 A C 1.922 179.519 177.584 0.022 0.000 1.181 646 A CA 0.891 52.925 52.037 -0.006 0.000 0.620 646 A CB -0.581 18.407 19.000 -0.020 0.000 0.819 646 A HN 0.290 nan 8.150 nan 0.000 0.442 647 F N 0.605 120.523 119.950 -0.054 0.000 2.113 647 F HA -0.079 4.448 4.527 0.001 0.000 0.297 647 F C 1.919 177.693 175.800 -0.044 0.000 1.103 647 F CA 1.547 59.519 58.000 -0.047 0.000 1.248 647 F CB -0.327 38.646 39.000 -0.045 0.000 0.999 647 F HN 0.124 nan 8.300 nan 0.000 0.475 648 L N 0.046 121.282 121.223 0.023 0.000 2.081 648 L HA -0.262 4.079 4.340 0.001 0.000 0.212 648 L C 2.436 179.222 176.870 -0.141 0.000 1.080 648 L CA 1.702 56.509 54.840 -0.055 0.000 0.754 648 L CB -1.015 41.059 42.059 0.024 0.000 0.893 648 L HN 0.315 nan 8.230 nan 0.000 0.433 649 S N -1.188 114.442 115.700 -0.118 0.000 2.603 649 S HA -0.016 4.455 4.470 0.001 0.000 0.220 649 S C 1.476 175.983 174.600 -0.155 0.000 0.967 649 S CA 0.194 58.327 58.200 -0.113 0.000 0.920 649 S CB 0.137 63.292 63.200 -0.075 0.000 0.773 649 S HN 0.318 nan 8.310 nan 0.000 0.529 650 L N 1.107 122.177 121.223 -0.255 0.000 2.467 650 L HA 0.434 4.775 4.340 0.001 0.000 0.213 650 L C 0.731 177.378 176.870 -0.372 0.000 1.053 650 L CA 0.364 55.031 54.840 -0.288 0.000 0.847 650 L CB -0.093 41.781 42.059 -0.308 0.000 1.075 650 L HN 0.140 nan 8.230 nan 0.000 0.479 651 V N 0.000 119.593 119.914 -0.536 0.000 2.409 651 V HA 0.000 4.120 4.120 0.001 0.000 0.244 651 V CA 0.000 62.026 62.300 -0.457 0.000 1.235 651 V CB 0.000 31.573 31.823 -0.417 0.000 1.184 651 V HN 0.000 nan 8.190 nan 0.000 0.556