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 2w8s_1_B DATA FIRST_RESID 2 DATA SEQUENCE TRKNVLLIVV DQWRADFIPH LMRAEGREPF LKTPNLDRLC REGLTFRNHV DATA SEQUENCE TTCVPCGPAR ASLLTGLYLM NHRAVQNTVP LDQRHLNLGK ALRAIGYDPA DATA SEQUENCE LIGYTTTTPD PRTTSARDPR FTVLGDIMDG FRSVGAFEPN MEGYFGWVAQ DATA SEQUENCE NGFELPENRE DIWLPEGEHS VPGATDKPSR IPKEFSDSTF FTERALTYLK DATA SEQUENCE GRDGKPFFLH LGYYRPHPPF VASAPYHAMY KAEDMPAPIR AENPDAEAAQ DATA SEQUENCE HPLMKHYIDH IRRGSFFHGA EGSGATLDEG EIRQMRATYC GLITEIDDCL DATA SEQUENCE GRVFAYLDET GQWDDTLIIF TSDHGEQLGD HHLLGKIGYN AESFRIPLVI DATA SEQUENCE KDAGQNRHAG QIEEGFSESI DVMPTILEWL GGETPRACDG RSLLPFLAEG DATA SEQUENCE KPSDWRTELH YEFDFRDVFY DQPQNSVQLS QDDCSLCVIE DENYKYVHFA DATA SEQUENCE ALPPLFFDLK ADPHEFSNLA GDPAYAALVR DYAQKALSWR LSHADRTLTH DATA SEQUENCE YRSSPQGLTT RNH 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.691 174.700 -0.015 0.000 1.109 2 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 2 T CB 0.000 68.843 68.868 -0.043 0.000 0.612 3 R N 2.655 123.156 120.500 0.002 0.000 2.401 3 R HA 0.493 4.834 4.340 0.001 0.000 0.299 3 R C -0.695 175.623 176.300 0.029 0.000 1.064 3 R CA 0.078 56.191 56.100 0.021 0.000 1.000 3 R CB 0.197 30.516 30.300 0.032 0.000 0.973 3 R HN 0.545 nan 8.270 nan 0.000 0.438 4 K N 3.681 124.122 120.400 0.069 0.000 2.413 4 K HA 0.342 4.662 4.320 0.001 0.000 0.257 4 K C -0.981 175.725 176.600 0.178 0.000 0.946 4 K CA -0.896 55.462 56.287 0.118 0.000 0.823 4 K CB 1.664 34.141 32.500 -0.038 0.000 1.109 4 K HN 0.560 nan 8.250 nan 0.000 0.427 5 N N 1.163 119.878 118.700 0.024 0.000 2.443 5 N HA 0.476 5.216 4.740 0.001 0.000 0.293 5 N C -1.063 174.301 175.510 -0.243 0.000 1.159 5 N CA -0.646 52.190 53.050 -0.357 0.000 0.904 5 N CB 2.011 39.853 38.487 -1.076 0.000 1.214 5 N HN 0.094 nan 8.380 nan 0.000 0.513 6 V N 1.627 121.354 119.914 -0.312 0.000 2.531 6 V HA 0.348 4.469 4.120 0.001 0.000 0.301 6 V C -0.784 175.156 176.094 -0.257 0.000 1.034 6 V CA -0.758 61.383 62.300 -0.265 0.000 0.865 6 V CB 1.932 33.719 31.823 -0.059 0.000 0.995 6 V HN 0.440 nan 8.190 nan 0.000 0.424 7 L N 6.333 127.416 121.223 -0.233 0.000 2.356 7 L HA 0.596 4.936 4.340 0.001 0.000 0.264 7 L C -0.791 175.935 176.870 -0.240 0.000 1.029 7 L CA -0.299 54.452 54.840 -0.148 0.000 0.897 7 L CB 1.162 43.238 42.059 0.028 0.000 1.256 7 L HN 0.631 nan 8.230 nan 0.000 0.444 8 L N 6.144 127.145 121.223 -0.370 0.000 2.325 8 L HA 0.465 4.806 4.340 0.001 0.000 0.284 8 L C -0.562 176.099 176.870 -0.349 0.000 1.089 8 L CA 0.402 55.051 54.840 -0.317 0.000 0.836 8 L CB 0.270 42.171 42.059 -0.263 0.000 1.184 8 L HN 0.467 nan 8.230 nan 0.000 0.444 9 I N 6.093 126.505 120.570 -0.264 0.000 2.312 9 I HA 0.351 4.521 4.170 0.001 0.000 0.290 9 I C -0.710 175.148 176.117 -0.433 0.000 1.008 9 I CA -0.714 60.438 61.300 -0.246 0.000 1.226 9 I CB 1.391 39.407 38.000 0.027 0.000 1.371 9 I HN 0.212 nan 8.210 nan 0.000 0.468 10 V N 7.195 126.805 119.914 -0.506 0.000 2.376 10 V HA 0.325 4.445 4.120 0.001 0.000 0.287 10 V C 0.228 176.086 176.094 -0.394 0.000 1.015 10 V CA -0.722 61.265 62.300 -0.521 0.000 0.834 10 V CB 1.577 33.053 31.823 -0.579 0.000 1.001 10 V HN 0.567 nan 8.190 nan 0.000 0.428 11 V N 0.728 120.407 119.914 -0.392 0.000 3.234 11 V HA 0.723 4.843 4.120 0.001 0.000 0.317 11 V C -0.453 175.530 176.094 -0.185 0.000 1.081 11 V CA -0.505 61.691 62.300 -0.174 0.000 1.037 11 V CB 2.029 33.841 31.823 -0.018 0.000 1.148 11 V HN 0.732 nan 8.190 nan 0.000 0.453 12 D N 0.417 120.764 120.400 -0.088 0.000 2.375 12 D HA 0.329 4.970 4.640 0.001 0.000 0.247 12 D C 0.165 176.393 176.300 -0.119 0.000 1.061 12 D CA -0.146 53.767 54.000 -0.146 0.000 0.834 12 D CB 1.904 42.727 40.800 0.038 0.000 1.247 12 D HN 0.874 nan 8.370 nan 0.000 0.489 13 Q N 1.282 120.902 119.800 -0.299 0.000 2.460 13 Q HA -0.178 4.163 4.340 0.001 0.000 0.248 13 Q C -1.098 174.994 176.000 0.153 0.000 0.847 13 Q CA 0.621 56.427 55.803 0.005 0.000 1.214 13 Q CB -0.760 28.060 28.738 0.137 0.000 1.523 13 Q HN 0.518 nan 8.270 nan 0.000 0.602 14 W N 2.177 123.409 121.300 -0.112 0.000 2.332 14 W HA 0.427 5.088 4.660 0.001 0.000 0.306 14 W C -0.145 176.370 176.519 -0.007 0.000 1.149 14 W CA -0.631 56.667 57.345 -0.078 0.000 1.271 14 W CB 0.245 29.627 29.460 -0.129 0.000 1.243 14 W HN 0.089 nan 8.180 nan 0.000 0.459 15 R N 3.631 124.394 120.500 0.438 0.000 2.641 15 R HA 0.252 4.592 4.340 0.001 0.000 0.269 15 R C 1.409 177.955 176.300 0.410 0.000 1.074 15 R CA 0.400 56.680 56.100 0.299 0.000 1.133 15 R CB 0.673 31.044 30.300 0.119 0.000 1.029 15 R HN 0.584 nan 8.270 nan 0.000 0.488 16 A N 1.983 124.961 122.820 0.264 0.000 2.024 16 A HA -0.179 4.141 4.320 0.001 0.000 0.220 16 A C 1.060 178.817 177.584 0.289 0.000 1.164 16 A CA 1.843 54.022 52.037 0.236 0.000 0.643 16 A CB -0.328 18.777 19.000 0.175 0.000 0.806 16 A HN 0.855 nan 8.150 nan 0.000 0.451 17 D N -2.437 118.182 120.400 0.365 0.000 2.358 17 D HA 0.159 4.799 4.640 0.001 0.000 0.224 17 D C -0.361 176.196 176.300 0.430 0.000 1.123 17 D CA -0.334 53.868 54.000 0.336 0.000 0.833 17 D CB -0.457 40.514 40.800 0.283 0.000 0.946 17 D HN 0.250 nan 8.370 nan 0.000 0.505 18 F N 1.215 121.309 119.950 0.241 0.000 2.664 18 F HA 0.342 4.870 4.527 0.001 0.000 0.322 18 F C -0.303 175.661 175.800 0.275 0.000 1.324 18 F CA -0.989 57.132 58.000 0.202 0.000 1.154 18 F CB 0.480 39.624 39.000 0.240 0.000 1.236 18 F HN -0.115 nan 8.300 nan 0.000 0.532 19 I N 1.861 122.563 120.570 0.220 0.000 2.439 19 I HA 0.269 4.439 4.170 0.001 0.000 0.283 19 I C -1.829 174.296 176.117 0.014 0.000 1.023 19 I CA -2.345 59.047 61.300 0.154 0.000 1.100 19 I CB 1.813 39.896 38.000 0.139 0.000 1.238 19 I HN -0.048 nan 8.210 nan 0.000 0.445 20 P HA -0.200 nan 4.420 nan 0.000 0.216 20 P C 1.646 178.933 177.300 -0.021 0.000 1.153 20 P CA 1.610 64.661 63.100 -0.081 0.000 0.858 20 P CB 0.222 31.886 31.700 -0.059 0.000 0.789 21 H N -0.717 118.316 119.070 -0.062 0.000 2.390 21 H HA -0.104 4.453 4.556 0.001 0.000 0.298 21 H C 1.713 177.013 175.328 -0.047 0.000 1.106 21 H CA 1.456 57.472 56.048 -0.053 0.000 1.297 21 H CB -0.798 28.933 29.762 -0.052 0.000 1.375 21 H HN 0.018 nan 8.280 nan 0.000 0.509 22 L N -0.815 120.419 121.223 0.019 0.000 2.109 22 L HA -0.114 4.226 4.340 0.001 0.000 0.207 22 L C 2.498 179.330 176.870 -0.065 0.000 1.086 22 L CA 0.947 55.773 54.840 -0.024 0.000 0.760 22 L CB -0.276 41.806 42.059 0.037 0.000 0.910 22 L HN 0.366 nan 8.230 nan 0.000 0.437 23 M N -0.778 118.777 119.600 -0.075 0.000 2.117 23 M HA -0.184 4.297 4.480 0.001 0.000 0.262 23 M C 2.413 178.658 176.300 -0.092 0.000 1.065 23 M CA 1.713 56.960 55.300 -0.087 0.000 1.114 23 M CB -0.378 32.134 32.600 -0.147 0.000 1.361 23 M HN 0.127 nan 8.290 nan 0.000 0.408 24 R N 0.105 120.532 120.500 -0.121 0.000 2.115 24 R HA -0.039 4.302 4.340 0.001 0.000 0.230 24 R C 2.286 178.504 176.300 -0.137 0.000 1.111 24 R CA 1.346 57.370 56.100 -0.126 0.000 0.976 24 R CB -0.436 29.775 30.300 -0.148 0.000 0.870 24 R HN 0.370 nan 8.270 nan 0.000 0.445 25 A N 1.066 123.782 122.820 -0.174 0.000 2.014 25 A HA -0.134 4.186 4.320 0.001 0.000 0.218 25 A C 1.716 179.250 177.584 -0.084 0.000 1.163 25 A CA 1.048 52.997 52.037 -0.146 0.000 0.652 25 A CB -0.133 18.766 19.000 -0.168 0.000 0.808 25 A HN 0.278 nan 8.150 nan 0.000 0.449 26 E N -1.778 118.383 120.200 -0.066 0.000 2.358 26 E HA 0.169 4.520 4.350 0.001 0.000 0.195 26 E C 1.215 177.795 176.600 -0.034 0.000 1.010 26 E CA 0.409 56.786 56.400 -0.038 0.000 0.856 26 E CB -0.046 29.641 29.700 -0.023 0.000 0.795 26 E HN 0.737 nan 8.360 nan 0.000 0.504 27 G N 1.385 110.158 108.800 -0.044 0.000 2.184 27 G HA2 -0.233 3.727 3.960 0.001 0.000 0.206 27 G HA3 -0.233 3.727 3.960 0.001 0.000 0.206 27 G C 0.134 175.017 174.900 -0.028 0.000 0.995 27 G CA -0.295 44.784 45.100 -0.035 0.000 0.651 27 G HN 0.080 nan 8.290 nan 0.000 0.511 28 R N 0.306 120.789 120.500 -0.029 0.000 2.500 28 R HA 0.527 4.868 4.340 0.001 0.000 0.275 28 R C -0.059 176.224 176.300 -0.028 0.000 1.051 28 R CA -0.598 55.492 56.100 -0.017 0.000 1.088 28 R CB 0.870 31.169 30.300 -0.002 0.000 1.063 28 R HN 0.235 nan 8.270 nan 0.000 0.511 29 E N 2.854 123.047 120.200 -0.012 0.000 2.194 29 E HA 0.167 4.517 4.350 0.001 0.000 0.284 29 E C -2.201 174.383 176.600 -0.026 0.000 1.035 29 E CA -1.963 54.427 56.400 -0.016 0.000 0.836 29 E CB 0.668 30.370 29.700 0.003 0.000 1.070 29 E HN 0.159 nan 8.360 nan 0.000 0.401 30 P HA -0.032 nan 4.420 nan 0.000 0.266 30 P C -0.334 176.878 177.300 -0.146 0.000 1.193 30 P CA 0.239 63.213 63.100 -0.211 0.000 0.770 30 P CB 0.163 31.745 31.700 -0.197 0.000 0.836 31 F N 1.638 121.509 119.950 -0.132 0.000 2.664 31 F HA 0.336 4.863 4.527 0.001 0.000 0.303 31 F C -0.077 175.594 175.800 -0.216 0.000 1.092 31 F CA -0.710 57.208 58.000 -0.136 0.000 1.305 31 F CB -0.396 38.495 39.000 -0.183 0.000 1.054 31 F HN -0.063 nan 8.300 nan 0.000 0.565 32 L N -1.010 119.981 121.223 -0.387 0.000 2.491 32 L HA 0.681 5.022 4.340 0.001 0.000 0.254 32 L C -1.235 175.594 176.870 -0.068 0.000 1.048 32 L CA -2.489 52.159 54.840 -0.319 0.000 0.855 32 L CB 1.282 42.979 42.059 -0.603 0.000 1.466 32 L HN -0.086 nan 8.230 nan 0.000 0.409 33 K N 0.090 120.573 120.400 0.138 0.000 2.323 33 K HA 0.755 5.075 4.320 0.001 0.000 0.259 33 K C -0.823 175.831 176.600 0.090 0.000 0.947 33 K CA -0.240 56.114 56.287 0.113 0.000 0.819 33 K CB 1.861 34.453 32.500 0.152 0.000 1.109 33 K HN 0.872 nan 8.250 nan 0.000 0.429 34 T N -0.531 114.053 114.554 0.049 0.000 3.428 34 T HA 0.215 4.565 4.350 0.001 0.000 0.301 34 T C -2.212 172.502 174.700 0.025 0.000 1.323 34 T CA -1.686 60.443 62.100 0.049 0.000 1.647 34 T CB 0.704 69.622 68.868 0.083 0.000 0.871 34 T HN 0.190 nan 8.240 nan 0.000 0.627 35 P HA -0.078 nan 4.420 nan 0.000 0.217 35 P C 1.316 178.634 177.300 0.030 0.000 1.150 35 P CA 1.038 64.151 63.100 0.022 0.000 0.832 35 P CB 0.181 31.893 31.700 0.019 0.000 0.787 36 N N -0.471 118.250 118.700 0.036 0.000 2.216 36 N HA -0.079 4.661 4.740 0.001 0.000 0.183 36 N C 1.773 177.389 175.510 0.177 0.000 1.017 36 N CA 0.592 53.713 53.050 0.118 0.000 0.861 36 N CB -0.827 37.663 38.487 0.005 0.000 0.986 36 N HN 0.076 nan 8.380 nan 0.000 0.428 37 L N 2.217 123.441 121.223 0.003 0.000 2.042 37 L HA -0.142 4.198 4.340 0.001 0.000 0.210 37 L C 1.402 178.213 176.870 -0.099 0.000 1.076 37 L CA 1.828 56.578 54.840 -0.150 0.000 0.749 37 L CB -0.711 41.164 42.059 -0.308 0.000 0.893 37 L HN -0.035 nan 8.230 nan 0.000 0.432 38 D N -0.771 119.605 120.400 -0.041 0.000 2.149 38 D HA -0.225 4.416 4.640 0.001 0.000 0.198 38 D C 2.281 178.559 176.300 -0.038 0.000 0.990 38 D CA 1.181 55.165 54.000 -0.027 0.000 0.839 38 D CB -0.164 40.647 40.800 0.018 0.000 0.948 38 D HN 0.348 nan 8.370 nan 0.000 0.460 39 R N 0.435 120.935 120.500 0.000 0.000 2.070 39 R HA -0.095 4.246 4.340 0.001 0.000 0.233 39 R C 2.434 178.730 176.300 -0.007 0.000 1.137 39 R CA 0.821 56.919 56.100 -0.004 0.000 0.945 39 R CB -0.520 29.779 30.300 -0.002 0.000 0.845 39 R HN 0.190 nan 8.270 nan 0.000 0.430 40 L N 0.274 121.502 121.223 0.008 0.000 2.013 40 L HA -0.323 4.018 4.340 0.001 0.000 0.212 40 L C 2.755 179.547 176.870 -0.131 0.000 1.073 40 L CA 1.649 56.461 54.840 -0.046 0.000 0.753 40 L CB -0.420 41.590 42.059 -0.081 0.000 0.890 40 L HN 0.483 nan 8.230 nan 0.000 0.432 41 C N -0.949 118.223 119.300 -0.213 0.000 2.432 41 C HA -0.172 4.288 4.460 0.001 0.000 0.277 41 C C 2.987 177.721 174.990 -0.426 0.000 1.249 41 C CA 0.761 59.532 59.018 -0.413 0.000 1.725 41 C CB -0.896 26.474 27.740 -0.617 0.000 2.028 41 C HN 0.466 nan 8.230 nan 0.000 0.477 42 R N 0.823 121.164 120.500 -0.265 0.000 2.148 42 R HA -0.102 4.239 4.340 0.001 0.000 0.227 42 R C 1.670 177.934 176.300 -0.059 0.000 1.103 42 R CA 1.406 57.440 56.100 -0.110 0.000 0.983 42 R CB -0.219 30.069 30.300 -0.021 0.000 0.874 42 R HN 0.634 nan 8.270 nan 0.000 0.451 43 E N -1.030 119.140 120.200 -0.051 0.000 2.447 43 E HA 0.098 4.448 4.350 0.001 0.000 0.195 43 E C 0.497 177.080 176.600 -0.028 0.000 1.028 43 E CA 0.260 56.658 56.400 -0.004 0.000 0.876 43 E CB 0.905 30.649 29.700 0.074 0.000 0.885 43 E HN 0.388 nan 8.360 nan 0.000 0.500 44 G N 0.180 108.935 108.800 -0.075 0.000 3.222 44 G HA2 0.525 4.485 3.960 0.001 0.000 0.263 44 G HA3 0.525 4.485 3.960 0.001 0.000 0.263 44 G C -1.509 173.338 174.900 -0.089 0.000 1.312 44 G CA -0.663 44.392 45.100 -0.076 0.000 0.934 44 G HN 0.007 nan 8.290 nan 0.000 0.577 45 L N 1.085 122.258 121.223 -0.084 0.000 2.287 45 L HA 0.535 4.876 4.340 0.001 0.000 0.287 45 L C -0.465 176.300 176.870 -0.176 0.000 1.022 45 L CA -0.421 54.325 54.840 -0.155 0.000 0.814 45 L CB 1.723 43.668 42.059 -0.190 0.000 1.217 45 L HN 0.460 nan 8.230 nan 0.000 0.420 46 T N 4.419 118.839 114.554 -0.224 0.000 2.795 46 T HA 0.423 4.773 4.350 0.001 0.000 0.282 46 T C -0.487 174.071 174.700 -0.236 0.000 0.980 46 T CA -0.132 61.889 62.100 -0.131 0.000 1.012 46 T CB 0.645 69.472 68.868 -0.068 0.000 0.936 46 T HN 0.180 nan 8.240 nan 0.000 0.457 47 F N 2.415 122.290 119.950 -0.126 0.000 2.405 47 F HA 0.396 4.924 4.527 0.001 0.000 0.355 47 F C 1.633 177.416 175.800 -0.028 0.000 1.121 47 F CA -0.792 57.134 58.000 -0.123 0.000 1.112 47 F CB 1.210 40.091 39.000 -0.199 0.000 1.126 47 F HN 0.502 nan 8.300 nan 0.000 0.481 48 R N 1.708 122.261 120.500 0.089 0.000 2.140 48 R HA 0.089 4.430 4.340 0.001 0.000 0.213 48 R C -0.068 176.334 176.300 0.171 0.000 1.059 48 R CA 0.840 57.002 56.100 0.103 0.000 1.000 48 R CB 0.169 30.494 30.300 0.042 0.000 0.910 48 R HN 0.467 nan 8.270 nan 0.000 0.455 49 N N 1.099 119.934 118.700 0.225 0.000 2.914 49 N HA 0.055 4.796 4.740 0.001 0.000 0.304 49 N C -1.648 174.085 175.510 0.372 0.000 1.727 49 N CA -0.219 53.016 53.050 0.309 0.000 0.986 49 N CB 0.838 39.555 38.487 0.384 0.000 1.297 49 N HN 0.256 nan 8.380 nan 0.000 0.490 50 H N -0.014 119.164 119.070 0.179 0.000 2.472 50 H HA 0.620 5.176 4.556 0.001 0.000 0.338 50 H C -0.535 174.842 175.328 0.082 0.000 1.133 50 H CA -0.762 55.357 56.048 0.119 0.000 1.216 50 H CB 1.236 31.029 29.762 0.052 0.000 1.497 50 H HN 0.008 nan 8.280 nan 0.000 0.500 51 V N 1.851 121.528 119.914 -0.394 0.000 2.876 51 V HA 0.472 4.593 4.120 0.001 0.000 0.312 51 V C 0.054 175.929 176.094 -0.365 0.000 1.085 51 V CA -0.893 61.237 62.300 -0.284 0.000 0.945 51 V CB 1.493 33.203 31.823 -0.189 0.000 1.017 51 V HN 0.850 nan 8.190 nan 0.000 0.428 52 T N 1.748 116.218 114.554 -0.140 0.000 2.901 52 T HA 0.268 4.618 4.350 0.001 0.000 0.301 52 T C 1.338 176.140 174.700 0.170 0.000 1.012 52 T CA 0.643 62.743 62.100 -0.000 0.000 1.135 52 T CB 0.808 69.709 68.868 0.056 0.000 0.936 52 T HN 1.376 nan 8.240 nan 0.000 0.539 53 T N 0.993 115.681 114.554 0.223 0.000 3.160 53 T HA 0.208 4.558 4.350 0.001 0.000 0.257 53 T C 0.888 175.880 174.700 0.486 0.000 1.147 53 T CA 0.130 62.460 62.100 0.383 0.000 1.064 53 T CB -1.297 67.820 68.868 0.416 0.000 0.949 53 T HN 0.900 nan 8.240 nan 0.000 0.526 54 C N -0.480 119.099 119.300 0.464 0.000 3.253 54 C HA 0.842 5.302 4.460 0.001 0.000 0.342 54 C C -0.820 174.334 174.990 0.274 0.000 1.306 54 C CA -0.898 58.423 59.018 0.506 0.000 1.207 54 C CB 1.440 29.436 27.740 0.427 0.000 1.479 54 C HN 0.689 nan 8.230 nan 0.000 0.469 55 V N -2.424 117.620 119.914 0.216 0.000 3.130 55 V HA 0.999 5.120 4.120 0.001 0.000 0.310 55 V C -2.692 173.549 176.094 0.245 0.000 1.158 55 V CA -1.402 60.907 62.300 0.014 0.000 1.029 55 V CB 1.710 33.266 31.823 -0.444 0.000 1.057 55 V HN 0.992 nan 8.190 nan 0.000 0.436 56 P HA 0.338 nan 4.420 nan 0.000 0.341 56 P C 0.883 178.239 177.300 0.093 0.000 1.368 56 P CA 0.303 63.370 63.100 -0.054 0.000 0.835 56 P CB 0.595 32.293 31.700 -0.004 0.000 2.010 57 C N -0.585 118.808 119.300 0.156 0.000 2.504 57 C HA -0.058 4.403 4.460 0.001 0.000 0.285 57 C C 2.974 178.092 174.990 0.214 0.000 1.225 57 C CA 1.852 61.047 59.018 0.294 0.000 1.755 57 C CB -2.352 25.585 27.740 0.329 0.000 2.065 57 C HN 0.703 nan 8.230 nan 0.000 0.452 58 G N 2.459 111.368 108.800 0.183 0.000 2.913 58 G HA2 -0.335 3.626 3.960 0.001 0.000 0.269 58 G HA3 -0.335 3.626 3.960 0.001 0.000 0.269 58 G C -0.569 174.398 174.900 0.111 0.000 1.091 58 G CA 2.182 47.368 45.100 0.144 0.000 0.753 58 G HN 0.463 nan 8.290 nan 0.000 0.776 59 P HA -0.001 nan 4.420 nan 0.000 0.215 59 P C 2.208 179.618 177.300 0.183 0.000 1.153 59 P CA 2.332 65.555 63.100 0.204 0.000 0.853 59 P CB -0.329 31.540 31.700 0.281 0.000 0.788 60 A N -0.187 122.744 122.820 0.185 0.000 1.933 60 A HA -0.207 4.113 4.320 0.001 0.000 0.218 60 A C 2.261 179.908 177.584 0.105 0.000 1.175 60 A CA 1.598 53.738 52.037 0.172 0.000 0.628 60 A CB -1.047 18.073 19.000 0.199 0.000 0.814 60 A HN 0.075 nan 8.150 nan 0.000 0.444 61 R N -0.680 119.866 120.500 0.077 0.000 2.093 61 R HA 0.080 4.420 4.340 0.001 0.000 0.224 61 R C 2.495 178.780 176.300 -0.024 0.000 1.101 61 R CA 0.967 57.082 56.100 0.025 0.000 0.979 61 R CB -0.415 29.898 30.300 0.022 0.000 0.877 61 R HN 0.492 nan 8.270 nan 0.000 0.441 62 A N 0.640 123.396 122.820 -0.107 0.000 1.883 62 A HA -0.201 4.119 4.320 0.001 0.000 0.217 62 A C 2.195 179.646 177.584 -0.221 0.000 1.186 62 A CA 1.949 53.810 52.037 -0.292 0.000 0.624 62 A CB -0.679 17.881 19.000 -0.733 0.000 0.822 62 A HN 0.232 nan 8.150 nan 0.000 0.444 63 S N -0.759 114.900 115.700 -0.069 0.000 2.370 63 S HA -0.162 4.308 4.470 0.001 0.000 0.226 63 S C 1.890 176.525 174.600 0.058 0.000 1.033 63 S CA 1.574 59.852 58.200 0.131 0.000 1.011 63 S CB -0.433 62.907 63.200 0.233 0.000 0.852 63 S HN 0.528 nan 8.310 nan 0.000 0.457 64 L N 1.464 122.715 121.223 0.046 0.000 2.056 64 L HA 0.096 4.436 4.340 0.001 0.000 0.207 64 L C 1.584 178.486 176.870 0.053 0.000 1.078 64 L CA 1.765 56.630 54.840 0.042 0.000 0.749 64 L CB -0.432 41.645 42.059 0.030 0.000 0.901 64 L HN 0.286 nan 8.230 nan 0.000 0.433 65 L N -1.022 120.234 121.223 0.056 0.000 2.592 65 L HA 0.110 4.450 4.340 0.001 0.000 0.227 65 L C 1.455 178.374 176.870 0.082 0.000 1.127 65 L CA 0.819 55.724 54.840 0.107 0.000 0.884 65 L CB -0.741 41.407 42.059 0.149 0.000 1.065 65 L HN 0.474 nan 8.230 nan 0.000 0.457 66 T N -5.708 108.870 114.554 0.040 0.000 3.004 66 T HA 0.222 4.572 4.350 0.001 0.000 0.266 66 T C 1.476 176.194 174.700 0.029 0.000 0.986 66 T CA 0.495 62.616 62.100 0.035 0.000 0.902 66 T CB 0.871 69.746 68.868 0.011 0.000 1.118 66 T HN 0.268 nan 8.240 nan 0.000 0.522 67 G N 1.718 110.530 108.800 0.021 0.000 2.166 67 G HA2 -0.231 3.729 3.960 0.001 0.000 0.260 67 G HA3 -0.231 3.729 3.960 0.001 0.000 0.260 67 G C -0.076 174.793 174.900 -0.052 0.000 0.986 67 G CA 0.648 45.742 45.100 -0.009 0.000 0.683 67 G HN 0.661 nan 8.290 nan 0.000 0.527 68 L N -0.429 120.791 121.223 -0.006 0.000 2.322 68 L HA 0.594 4.934 4.340 0.001 0.000 0.279 68 L C 0.791 177.671 176.870 0.017 0.000 1.036 68 L CA -1.535 53.301 54.840 -0.006 0.000 0.807 68 L CB 0.843 42.920 42.059 0.030 0.000 1.226 68 L HN 0.043 nan 8.230 nan 0.000 0.433 69 Y N 1.445 121.739 120.300 -0.010 0.000 2.385 69 Y HA -0.062 4.489 4.550 0.001 0.000 0.346 69 Y C 1.081 176.776 175.900 -0.342 0.000 1.270 69 Y CA 0.104 58.164 58.100 -0.066 0.000 1.472 69 Y CB 0.547 38.947 38.460 -0.101 0.000 1.354 69 Y HN 0.481 nan 8.280 nan 0.000 0.611 70 L N 2.286 123.394 121.223 -0.191 0.000 2.191 70 L HA -0.223 4.117 4.340 0.001 0.000 0.212 70 L C 2.053 178.687 176.870 -0.393 0.000 1.103 70 L CA 1.490 55.927 54.840 -0.671 0.000 0.769 70 L CB -0.287 41.677 42.059 -0.157 0.000 0.908 70 L HN 0.886 nan 8.230 nan 0.000 0.438 71 M N -1.518 117.974 119.600 -0.180 0.000 2.358 71 M HA -0.108 4.372 4.480 0.001 0.000 0.264 71 M C 1.092 177.320 176.300 -0.120 0.000 1.064 71 M CA 1.659 56.868 55.300 -0.151 0.000 1.093 71 M CB -0.475 31.998 32.600 -0.211 0.000 1.401 71 M HN 0.229 nan 8.290 nan 0.000 0.440 72 N N 0.183 118.810 118.700 -0.122 0.000 2.499 72 N HA -0.018 4.723 4.740 0.001 0.000 0.182 72 N C 1.677 177.141 175.510 -0.077 0.000 1.034 72 N CA 1.391 54.417 53.050 -0.040 0.000 0.882 72 N CB -0.405 38.089 38.487 0.011 0.000 1.125 72 N HN 0.730 nan 8.380 nan 0.000 0.436 73 H N 0.573 119.533 119.070 -0.183 0.000 2.470 73 H HA 0.280 4.837 4.556 0.001 0.000 0.289 73 H C 0.273 175.551 175.328 -0.083 0.000 1.033 73 H CA 0.820 56.616 56.048 -0.420 0.000 1.331 73 H CB 0.180 29.723 29.762 -0.365 0.000 1.414 73 H HN -0.196 nan 8.280 nan 0.000 0.545 74 R N -0.886 119.672 120.500 0.097 0.000 3.953 74 R HA -0.131 4.210 4.340 0.001 0.000 0.340 74 R C 0.031 176.470 176.300 0.232 0.000 1.195 74 R CA 0.762 56.948 56.100 0.143 0.000 0.929 74 R CB -2.739 27.645 30.300 0.140 0.000 1.402 74 R HN 0.681 nan 8.270 nan 0.000 0.540 75 A N 1.066 124.140 122.820 0.423 0.000 2.798 75 A HA 0.453 4.774 4.320 0.001 0.000 0.316 75 A C 1.558 179.297 177.584 0.259 0.000 1.506 75 A CA 0.127 52.318 52.037 0.256 0.000 1.162 75 A CB 0.002 19.075 19.000 0.121 0.000 1.138 75 A HN 0.250 nan 8.150 nan 0.000 0.532 76 V N -1.073 118.930 119.914 0.149 0.000 2.878 76 V HA 0.124 4.245 4.120 0.001 0.000 0.250 76 V C 0.574 176.706 176.094 0.063 0.000 1.075 76 V CA 0.843 63.195 62.300 0.086 0.000 1.096 76 V CB -0.454 31.368 31.823 -0.002 0.000 0.724 76 V HN 0.633 nan 8.190 nan 0.000 0.467 77 Q N 0.041 119.883 119.800 0.070 0.000 2.615 77 Q HA 0.438 4.779 4.340 0.001 0.000 0.298 77 Q C -1.147 174.924 176.000 0.118 0.000 1.023 77 Q CA -0.892 54.957 55.803 0.076 0.000 0.768 77 Q CB 1.725 30.469 28.738 0.008 0.000 1.500 77 Q HN 0.414 nan 8.270 nan 0.000 0.441 78 N N 1.104 119.893 118.700 0.149 0.000 2.345 78 N HA -0.062 4.678 4.740 0.001 0.000 0.243 78 N C 0.672 176.284 175.510 0.171 0.000 1.246 78 N CA 1.808 54.969 53.050 0.185 0.000 0.863 78 N CB 0.249 38.892 38.487 0.260 0.000 1.096 78 N HN 0.844 nan 8.380 nan 0.000 0.446 79 T N -3.847 110.833 114.554 0.211 0.000 7.679 79 T HA -0.224 4.126 4.350 0.001 0.000 0.300 79 T C -0.011 174.798 174.700 0.181 0.000 2.098 79 T CA 1.297 63.536 62.100 0.232 0.000 3.313 79 T CB -1.979 67.060 68.868 0.285 0.000 1.898 79 T HN 0.203 nan 8.240 nan 0.000 1.144 80 V N 3.161 123.161 119.914 0.143 0.000 2.465 80 V HA 0.553 4.674 4.120 0.001 0.000 0.279 80 V C -1.876 174.306 176.094 0.147 0.000 1.045 80 V CA -1.887 60.486 62.300 0.122 0.000 0.938 80 V CB 1.095 32.970 31.823 0.086 0.000 0.986 80 V HN 0.223 nan 8.190 nan 0.000 0.467 81 P HA 0.093 nan 4.420 nan 0.000 0.266 81 P C -0.661 176.734 177.300 0.159 0.000 1.195 81 P CA -0.213 62.995 63.100 0.181 0.000 0.768 81 P CB 0.429 32.233 31.700 0.174 0.000 0.838 82 L N 3.710 125.025 121.223 0.153 0.000 2.260 82 L HA 0.276 4.617 4.340 0.001 0.000 0.289 82 L C 0.119 177.096 176.870 0.177 0.000 1.057 82 L CA -0.337 54.598 54.840 0.159 0.000 0.811 82 L CB 0.028 42.151 42.059 0.107 0.000 1.184 82 L HN 0.252 nan 8.230 nan 0.000 0.429 83 D N 3.394 123.927 120.400 0.222 0.000 2.493 83 D HA -0.073 4.567 4.640 0.001 0.000 0.240 83 D C 0.667 177.033 176.300 0.110 0.000 1.142 83 D CA 0.337 54.424 54.000 0.145 0.000 0.872 83 D CB 1.088 41.954 40.800 0.110 0.000 1.173 83 D HN 0.799 nan 8.370 nan 0.000 0.467 84 Q N 3.665 123.492 119.800 0.045 0.000 2.403 84 Q HA -0.057 4.284 4.340 0.001 0.000 0.203 84 Q C 1.624 177.609 176.000 -0.026 0.000 0.932 84 Q CA 0.022 55.846 55.803 0.035 0.000 0.945 84 Q CB -0.042 28.718 28.738 0.037 0.000 1.045 84 Q HN 0.505 nan 8.270 nan 0.000 0.511 85 R N 0.306 120.732 120.500 -0.123 0.000 2.139 85 R HA -0.125 4.215 4.340 0.001 0.000 0.243 85 R C -0.252 175.946 176.300 -0.169 0.000 1.145 85 R CA 1.042 57.036 56.100 -0.177 0.000 0.976 85 R CB -0.928 29.216 30.300 -0.260 0.000 0.866 85 R HN 0.408 nan 8.270 nan 0.000 0.449 86 H N 0.717 119.816 119.070 0.048 0.000 2.848 86 H HA 0.138 4.694 4.556 0.001 0.000 0.341 86 H C -0.548 174.798 175.328 0.029 0.000 1.060 86 H CA -0.607 55.471 56.048 0.049 0.000 1.444 86 H CB 0.934 30.737 29.762 0.069 0.000 1.446 86 H HN 0.020 nan 8.280 nan 0.000 0.583 87 L N 4.119 125.428 121.223 0.143 0.000 2.278 87 L HA 0.174 4.514 4.340 0.001 0.000 0.287 87 L C -0.110 176.789 176.870 0.048 0.000 1.072 87 L CA -0.504 54.373 54.840 0.061 0.000 0.819 87 L CB -0.069 42.014 42.059 0.040 0.000 1.176 87 L HN 0.774 nan 8.230 nan 0.000 0.435 88 N N 3.381 122.086 118.700 0.009 0.000 2.458 88 N HA 0.164 4.904 4.740 0.001 0.000 0.271 88 N C 0.662 176.121 175.510 -0.085 0.000 1.210 88 N CA -0.655 52.396 53.050 0.001 0.000 0.978 88 N CB 0.539 39.053 38.487 0.044 0.000 1.206 88 N HN 0.538 nan 8.380 nan 0.000 0.536 89 L N 0.495 121.697 121.223 -0.034 0.000 2.079 89 L HA 0.124 4.465 4.340 0.001 0.000 0.210 89 L C 1.929 178.578 176.870 -0.368 0.000 1.081 89 L CA 2.251 57.032 54.840 -0.100 0.000 0.752 89 L CB -1.217 40.881 42.059 0.064 0.000 0.896 89 L HN 0.844 nan 8.230 nan 0.000 0.433 90 G N -0.736 107.572 108.800 -0.819 0.000 2.459 90 G HA2 -0.364 3.597 3.960 0.001 0.000 0.217 90 G HA3 -0.364 3.597 3.960 0.001 0.000 0.217 90 G C 1.716 176.262 174.900 -0.589 0.000 1.183 90 G CA 1.021 45.361 45.100 -1.268 0.000 0.776 90 G HN 0.354 nan 8.290 nan 0.000 0.552 91 K N 0.597 120.754 120.400 -0.405 0.000 2.097 91 K HA 0.226 4.546 4.320 0.001 0.000 0.205 91 K C 2.790 179.295 176.600 -0.159 0.000 1.050 91 K CA 1.192 57.345 56.287 -0.222 0.000 0.938 91 K CB -0.485 31.928 32.500 -0.146 0.000 0.718 91 K HN 0.208 nan 8.250 nan 0.000 0.442 92 A N 0.447 123.174 122.820 -0.156 0.000 1.902 92 A HA -0.136 4.185 4.320 0.001 0.000 0.217 92 A C 2.108 179.629 177.584 -0.104 0.000 1.181 92 A CA 1.472 53.447 52.037 -0.104 0.000 0.623 92 A CB -0.688 18.259 19.000 -0.089 0.000 0.818 92 A HN 0.268 nan 8.150 nan 0.000 0.443 93 L N -1.105 120.016 121.223 -0.170 0.000 2.093 93 L HA -0.168 4.173 4.340 0.001 0.000 0.208 93 L C 2.818 179.676 176.870 -0.020 0.000 1.085 93 L CA 1.335 56.099 54.840 -0.127 0.000 0.755 93 L CB -0.421 41.473 42.059 -0.275 0.000 0.904 93 L HN 0.334 nan 8.230 nan 0.000 0.435 94 R N -0.056 120.404 120.500 -0.066 0.000 2.096 94 R HA -0.126 4.215 4.340 0.001 0.000 0.235 94 R C 2.340 178.638 176.300 -0.003 0.000 1.127 94 R CA 1.281 57.367 56.100 -0.024 0.000 0.968 94 R CB -0.494 29.772 30.300 -0.057 0.000 0.861 94 R HN 0.343 nan 8.270 nan 0.000 0.440 95 A N 1.545 124.354 122.820 -0.017 0.000 2.121 95 A HA -0.057 4.263 4.320 0.001 0.000 0.218 95 A C 1.873 179.469 177.584 0.020 0.000 1.154 95 A CA 0.884 52.919 52.037 -0.003 0.000 0.679 95 A CB -0.431 18.562 19.000 -0.011 0.000 0.795 95 A HN 0.486 nan 8.150 nan 0.000 0.458 96 I N -5.633 114.963 120.570 0.044 0.000 3.877 96 I HA 0.536 4.706 4.170 0.001 0.000 0.332 96 I C 0.859 177.071 176.117 0.157 0.000 1.525 96 I CA 0.491 61.844 61.300 0.087 0.000 1.146 96 I CB -0.065 37.987 38.000 0.086 0.000 1.137 96 I HN 0.288 nan 8.210 nan 0.000 0.424 97 G N 0.945 109.809 108.800 0.108 0.000 2.175 97 G HA2 -0.293 3.667 3.960 0.001 0.000 0.244 97 G HA3 -0.293 3.667 3.960 0.001 0.000 0.244 97 G C -0.301 174.600 174.900 0.001 0.000 0.982 97 G CA -0.189 44.937 45.100 0.044 0.000 0.641 97 G HN 0.477 nan 8.290 nan 0.000 0.527 98 Y N 0.748 121.064 120.300 0.026 0.000 2.334 98 Y HA 0.527 5.078 4.550 0.001 0.000 0.328 98 Y C 0.451 176.390 175.900 0.066 0.000 1.130 98 Y CA -0.642 57.500 58.100 0.070 0.000 1.163 98 Y CB 1.387 39.898 38.460 0.085 0.000 1.207 98 Y HN 0.141 nan 8.280 nan 0.000 0.471 99 D N 5.029 125.573 120.400 0.240 0.000 2.339 99 D HA 0.186 4.827 4.640 0.001 0.000 0.241 99 D C -2.478 173.993 176.300 0.285 0.000 1.183 99 D CA -1.971 52.157 54.000 0.212 0.000 0.859 99 D CB 0.809 41.740 40.800 0.219 0.000 1.067 99 D HN 0.125 nan 8.370 nan 0.000 0.484 100 P HA 0.198 nan 4.420 nan 0.000 0.247 100 P C -0.836 176.680 177.300 0.359 0.000 1.756 100 P CA -0.452 62.758 63.100 0.183 0.000 1.117 100 P CB 0.349 31.954 31.700 -0.159 0.000 1.869 101 A N 4.234 127.277 122.820 0.371 0.000 2.450 101 A HA 0.417 4.737 4.320 0.001 0.000 0.255 101 A C -0.323 177.306 177.584 0.075 0.000 1.096 101 A CA -0.285 51.785 52.037 0.055 0.000 0.778 101 A CB -0.099 18.616 19.000 -0.475 0.000 1.031 101 A HN 0.623 nan 8.150 nan 0.000 0.494 102 L N 3.356 124.545 121.223 -0.056 0.000 2.410 102 L HA 0.737 5.078 4.340 0.001 0.000 0.270 102 L C -1.155 175.584 176.870 -0.219 0.000 0.983 102 L CA -0.520 54.212 54.840 -0.179 0.000 0.822 102 L CB 1.539 43.358 42.059 -0.401 0.000 1.285 102 L HN 0.673 nan 8.230 nan 0.000 0.409 103 I N 4.602 125.045 120.570 -0.213 0.000 2.569 103 I HA 0.781 4.952 4.170 0.001 0.000 0.296 103 I C 0.635 176.547 176.117 -0.341 0.000 1.028 103 I CA 0.066 61.221 61.300 -0.242 0.000 1.082 103 I CB 1.791 39.615 38.000 -0.292 0.000 1.264 103 I HN 0.880 nan 8.210 nan 0.000 0.429 104 G N 4.843 113.436 108.800 -0.345 0.000 2.846 104 G HA2 -0.157 3.804 3.960 0.001 0.000 0.225 104 G HA3 -0.157 3.804 3.960 0.001 0.000 0.225 104 G C -1.261 173.600 174.900 -0.065 0.000 1.285 104 G CA 0.052 44.864 45.100 -0.480 0.000 1.055 104 G HN 0.979 nan 8.290 nan 0.000 0.579 105 Y N -2.478 117.721 120.300 -0.168 0.000 2.662 105 Y HA 0.647 5.198 4.550 0.001 0.000 0.334 105 Y C 0.661 176.481 175.900 -0.134 0.000 1.185 105 Y CA 0.209 58.261 58.100 -0.080 0.000 1.074 105 Y CB 0.980 39.482 38.460 0.070 0.000 1.330 105 Y HN 1.081 nan 8.280 nan 0.000 0.458 106 T N -3.871 110.696 114.554 0.021 0.000 3.003 106 T HA 0.153 4.503 4.350 0.001 0.000 0.261 106 T C 0.378 175.150 174.700 0.119 0.000 1.003 106 T CA 0.410 62.495 62.100 -0.024 0.000 0.917 106 T CB -0.397 68.397 68.868 -0.123 0.000 1.084 106 T HN 1.073 nan 8.240 nan 0.000 0.522 107 T N 2.240 116.912 114.554 0.197 0.000 3.946 107 T HA -0.161 4.189 4.350 0.001 0.000 0.356 107 T C 0.007 174.782 174.700 0.126 0.000 0.758 107 T CA 1.047 63.251 62.100 0.173 0.000 1.911 107 T CB -2.522 66.475 68.868 0.215 0.000 1.835 107 T HN 0.650 nan 8.240 nan 0.000 0.807 108 T N 2.306 116.916 114.554 0.093 0.000 2.795 108 T HA 0.493 4.844 4.350 0.001 0.000 0.282 108 T C 0.561 175.309 174.700 0.081 0.000 0.980 108 T CA -0.551 61.596 62.100 0.078 0.000 1.012 108 T CB 1.547 70.449 68.868 0.056 0.000 0.936 108 T HN 0.214 nan 8.240 nan 0.000 0.457 109 T N 6.047 120.667 114.554 0.110 0.000 2.767 109 T HA 0.432 4.783 4.350 0.001 0.000 0.284 109 T C -2.255 172.528 174.700 0.137 0.000 0.973 109 T CA -1.305 60.880 62.100 0.142 0.000 0.996 109 T CB 1.102 70.104 68.868 0.223 0.000 0.927 109 T HN 0.312 nan 8.240 nan 0.000 0.456 110 P HA 0.114 nan 4.420 nan 0.000 0.273 110 P C -0.331 177.114 177.300 0.243 0.000 1.250 110 P CA -0.552 62.572 63.100 0.040 0.000 0.793 110 P CB 0.489 32.058 31.700 -0.218 0.000 1.011 111 D N 0.876 121.388 120.400 0.188 0.000 2.317 111 D HA 0.088 4.729 4.640 0.001 0.000 0.252 111 D C -1.671 174.796 176.300 0.277 0.000 1.174 111 D CA -1.806 52.312 54.000 0.197 0.000 0.866 111 D CB 0.725 41.595 40.800 0.116 0.000 1.127 111 D HN 0.086 nan 8.370 nan 0.000 0.467 112 P HA 0.029 nan 4.420 nan 0.000 0.222 112 P C 1.062 178.437 177.300 0.125 0.000 1.153 112 P CA 0.620 63.844 63.100 0.208 0.000 0.798 112 P CB 0.327 31.991 31.700 -0.061 0.000 0.796 113 R N -0.456 120.096 120.500 0.086 0.000 2.193 113 R HA -0.041 4.300 4.340 0.001 0.000 0.229 113 R C 1.659 177.998 176.300 0.064 0.000 1.110 113 R CA 1.821 57.956 56.100 0.057 0.000 0.988 113 R CB -0.955 29.369 30.300 0.039 0.000 0.871 113 R HN 0.304 nan 8.270 nan 0.000 0.458 114 T N -3.814 110.792 114.554 0.087 0.000 3.132 114 T HA 0.125 4.476 4.350 0.001 0.000 0.274 114 T C 0.165 174.914 174.700 0.081 0.000 1.011 114 T CA -0.280 61.861 62.100 0.069 0.000 0.899 114 T CB 0.842 69.743 68.868 0.055 0.000 1.089 114 T HN -0.019 nan 8.240 nan 0.000 0.543 115 T N 0.578 115.209 114.554 0.129 0.000 2.889 115 T HA 0.530 4.880 4.350 0.001 0.000 0.315 115 T C -0.828 173.986 174.700 0.191 0.000 1.291 115 T CA -0.376 61.803 62.100 0.131 0.000 1.028 115 T CB 1.882 70.802 68.868 0.087 0.000 1.235 115 T HN 0.197 nan 8.240 nan 0.000 0.491 116 S N 1.893 117.680 115.700 0.145 0.000 2.558 116 S HA 0.341 4.811 4.470 0.001 0.000 0.288 116 S C 1.829 176.576 174.600 0.246 0.000 1.318 116 S CA 0.330 58.616 58.200 0.143 0.000 1.056 116 S CB 0.140 63.397 63.200 0.095 0.000 0.853 116 S HN 1.000 nan 8.310 nan 0.000 0.505 117 A N 5.566 128.477 122.820 0.151 0.000 2.032 117 A HA -0.141 4.179 4.320 0.001 0.000 0.221 117 A C 2.111 179.808 177.584 0.189 0.000 1.165 117 A CA 1.415 53.513 52.037 0.101 0.000 0.645 117 A CB -0.398 18.602 19.000 -0.000 0.000 0.807 117 A HN 0.908 nan 8.150 nan 0.000 0.453 118 R N -0.070 120.523 120.500 0.155 0.000 2.317 118 R HA 0.038 4.378 4.340 0.001 0.000 0.208 118 R C -0.193 176.188 176.300 0.135 0.000 0.914 118 R CA -0.042 56.133 56.100 0.124 0.000 1.060 118 R CB -0.219 30.123 30.300 0.070 0.000 1.015 118 R HN 0.491 nan 8.270 nan 0.000 0.498 119 D N 2.377 122.882 120.400 0.174 0.000 2.586 119 D HA -0.051 4.590 4.640 0.001 0.000 0.234 119 D C -1.529 174.789 176.300 0.031 0.000 1.132 119 D CA -1.003 53.030 54.000 0.055 0.000 0.860 119 D CB 1.281 42.040 40.800 -0.069 0.000 1.159 119 D HN -0.065 nan 8.370 nan 0.000 0.490 120 P HA -0.145 nan 4.420 nan 0.000 0.218 120 P C 1.090 178.372 177.300 -0.031 0.000 1.146 120 P CA 1.138 64.237 63.100 -0.002 0.000 0.813 120 P CB 0.144 31.838 31.700 -0.010 0.000 0.778 121 R N -1.942 118.483 120.500 -0.125 0.000 2.241 121 R HA -0.056 4.284 4.340 0.001 0.000 0.224 121 R C 1.035 177.232 176.300 -0.170 0.000 1.101 121 R CA 0.764 56.755 56.100 -0.182 0.000 0.995 121 R CB -0.615 29.514 30.300 -0.284 0.000 0.870 121 R HN 0.224 nan 8.270 nan 0.000 0.463 122 F N -0.630 119.339 119.950 0.031 0.000 2.693 122 F HA 0.079 4.606 4.527 0.001 0.000 0.303 122 F C 1.539 177.346 175.800 0.012 0.000 1.143 122 F CA 0.515 58.534 58.000 0.031 0.000 1.389 122 F CB 0.319 39.334 39.000 0.025 0.000 1.060 122 F HN -0.167 nan 8.300 nan 0.000 0.535 123 T N -1.279 113.354 114.554 0.132 0.000 2.959 123 T HA 0.208 4.559 4.350 0.001 0.000 0.254 123 T C 0.512 175.222 174.700 0.017 0.000 1.003 123 T CA 0.331 62.458 62.100 0.046 0.000 0.950 123 T CB 0.283 69.166 68.868 0.025 0.000 1.090 123 T HN -0.047 nan 8.240 nan 0.000 0.503 124 V N -0.820 119.134 119.914 0.066 0.000 3.103 124 V HA 0.532 4.652 4.120 0.001 0.000 0.318 124 V C 1.543 177.754 176.094 0.194 0.000 1.114 124 V CA -0.990 61.368 62.300 0.096 0.000 1.020 124 V CB 1.009 32.866 31.823 0.056 0.000 1.085 124 V HN 0.031 nan 8.190 nan 0.000 0.446 125 L N 0.998 122.372 121.223 0.251 0.000 2.034 125 L HA 0.060 4.401 4.340 0.001 0.000 0.217 125 L C 1.164 178.160 176.870 0.211 0.000 1.077 125 L CA 2.830 57.843 54.840 0.287 0.000 0.769 125 L CB -0.741 41.441 42.059 0.205 0.000 0.890 125 L HN 1.134 nan 8.230 nan 0.000 0.435 126 G N -2.476 106.409 108.800 0.142 0.000 2.342 126 G HA2 0.297 4.257 3.960 0.001 0.000 0.297 126 G HA3 0.297 4.257 3.960 0.001 0.000 0.297 126 G C -2.046 172.897 174.900 0.072 0.000 1.313 126 G CA -0.457 44.708 45.100 0.109 0.000 0.830 126 G HN 0.025 nan 8.290 nan 0.000 0.506 127 D N -1.283 119.150 120.400 0.055 0.000 2.752 127 D HA 0.359 4.999 4.640 0.001 0.000 0.313 127 D C -0.559 175.767 176.300 0.045 0.000 1.225 127 D CA -0.632 53.393 54.000 0.043 0.000 0.976 127 D CB 2.763 43.563 40.800 0.001 0.000 1.443 127 D HN 0.424 nan 8.370 nan 0.000 0.515 128 I N 2.061 122.653 120.570 0.037 0.000 2.668 128 I HA -0.008 4.163 4.170 0.001 0.000 0.285 128 I C 0.913 177.055 176.117 0.040 0.000 1.168 128 I CA 0.089 61.399 61.300 0.018 0.000 1.424 128 I CB 0.278 38.288 38.000 0.017 0.000 1.377 128 I HN 0.410 nan 8.210 nan 0.000 0.560 129 M N 7.066 126.698 119.600 0.053 0.000 2.255 129 M HA -0.069 4.412 4.480 0.001 0.000 0.356 129 M C -0.139 176.268 176.300 0.178 0.000 1.338 129 M CA 0.226 55.604 55.300 0.130 0.000 0.962 129 M CB 0.045 32.770 32.600 0.209 0.000 1.877 129 M HN 0.488 nan 8.290 nan 0.000 0.463 130 D N 3.395 123.858 120.400 0.105 0.000 2.443 130 D HA 0.250 4.891 4.640 0.001 0.000 0.239 130 D C 0.998 177.320 176.300 0.037 0.000 1.136 130 D CA 1.472 55.512 54.000 0.066 0.000 0.879 130 D CB 0.869 41.688 40.800 0.031 0.000 1.195 130 D HN 0.899 nan 8.370 nan 0.000 0.443 131 G N 0.674 109.459 108.800 -0.025 0.000 2.218 131 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 131 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 131 G C 0.058 174.743 174.900 -0.358 0.000 0.994 131 G CA -0.512 44.468 45.100 -0.200 0.000 0.637 131 G HN 0.377 nan 8.290 nan 0.000 0.505 132 F N 0.631 120.560 119.950 -0.035 0.000 2.483 132 F HA 0.733 5.260 4.527 0.001 0.000 0.329 132 F C 0.878 176.668 175.800 -0.017 0.000 1.064 132 F CA -0.970 57.009 58.000 -0.036 0.000 0.986 132 F CB 1.276 40.236 39.000 -0.066 0.000 1.218 132 F HN -0.021 nan 8.300 nan 0.000 0.484 133 R N 1.390 122.011 120.500 0.202 0.000 2.215 133 R HA 0.266 4.607 4.340 0.001 0.000 0.337 133 R C -0.444 175.907 176.300 0.084 0.000 1.010 133 R CA -0.248 55.925 56.100 0.122 0.000 0.871 133 R CB 0.984 31.351 30.300 0.112 0.000 1.134 133 R HN 0.701 nan 8.270 nan 0.000 0.477 134 S N 3.257 118.996 115.700 0.064 0.000 2.509 134 S HA 0.031 4.502 4.470 0.001 0.000 0.287 134 S C 0.793 175.405 174.600 0.020 0.000 1.248 134 S CA -0.309 57.906 58.200 0.025 0.000 1.089 134 S CB 0.367 63.594 63.200 0.044 0.000 0.900 134 S HN 0.555 nan 8.310 nan 0.000 0.496 135 V N 2.275 122.170 119.914 -0.032 0.000 3.166 135 V HA 0.729 4.849 4.120 0.001 0.000 0.332 135 V C 0.482 176.549 176.094 -0.046 0.000 1.434 135 V CA 0.206 62.492 62.300 -0.024 0.000 1.121 135 V CB 0.142 31.921 31.823 -0.074 0.000 1.062 135 V HN 1.019 nan 8.190 nan 0.000 0.489 136 G N 0.342 109.127 108.800 -0.025 0.000 3.411 136 G HA2 0.552 4.513 3.960 0.001 0.000 0.241 136 G HA3 0.552 4.513 3.960 0.001 0.000 0.241 136 G C -0.348 174.621 174.900 0.115 0.000 3.906 136 G CA 0.141 45.226 45.100 -0.025 0.000 0.435 136 G HN 1.032 nan 8.290 nan 0.000 0.284 137 A N 1.096 124.058 122.820 0.238 0.000 2.331 137 A HA 0.707 5.027 4.320 0.001 0.000 0.283 137 A C 0.847 178.756 177.584 0.543 0.000 1.142 137 A CA -0.530 51.690 52.037 0.305 0.000 0.812 137 A CB 0.623 19.742 19.000 0.199 0.000 1.074 137 A HN 0.788 nan 8.150 nan 0.000 0.497 138 F N 1.307 121.504 119.950 0.411 0.000 2.171 138 F HA -0.019 4.508 4.527 0.001 0.000 0.300 138 F C 1.013 176.894 175.800 0.135 0.000 1.090 138 F CA 1.673 59.866 58.000 0.321 0.000 1.293 138 F CB -0.345 38.838 39.000 0.305 0.000 1.013 138 F HN 0.773 nan 8.300 nan 0.000 0.486 139 E N -1.448 118.901 120.200 0.247 0.000 8.961 139 E HA -0.185 4.166 4.350 0.001 0.000 0.470 139 E C -2.469 174.129 176.600 -0.003 0.000 1.290 139 E CA 0.264 56.725 56.400 0.103 0.000 2.247 139 E CB -1.720 28.032 29.700 0.088 0.000 1.017 139 E HN 0.023 nan 8.360 nan 0.000 0.265 140 P HA 0.009 nan 4.420 nan 0.000 0.265 140 P C 0.180 177.436 177.300 -0.072 0.000 1.193 140 P CA 0.386 63.466 63.100 -0.034 0.000 0.765 140 P CB 0.230 31.925 31.700 -0.009 0.000 0.823 141 N N 1.976 120.611 118.700 -0.107 0.000 2.828 141 N HA -0.217 4.523 4.740 0.001 0.000 0.248 141 N C 0.431 175.856 175.510 -0.142 0.000 1.044 141 N CA 1.254 54.247 53.050 -0.095 0.000 0.851 141 N CB -1.777 36.689 38.487 -0.034 0.000 1.136 141 N HN 0.645 nan 8.380 nan 0.000 0.572 142 M N -2.255 117.112 119.600 -0.388 0.000 2.908 142 M HA -0.279 4.201 4.480 0.001 0.000 0.191 142 M C 0.941 177.132 176.300 -0.183 0.000 0.619 142 M CA 1.490 56.406 55.300 -0.640 0.000 0.709 142 M CB -1.637 30.552 32.600 -0.685 0.000 2.554 142 M HN 0.229 nan 8.290 nan 0.000 0.356 143 E N 0.377 120.550 120.200 -0.045 0.000 2.153 143 E HA -0.101 4.249 4.350 0.001 0.000 0.194 143 E C 2.113 178.723 176.600 0.016 0.000 0.988 143 E CA 1.233 57.657 56.400 0.041 0.000 0.811 143 E CB -0.100 29.615 29.700 0.025 0.000 0.746 143 E HN 0.804 nan 8.360 nan 0.000 0.466 144 G N 0.865 109.678 108.800 0.022 0.000 2.446 144 G HA2 -0.323 3.638 3.960 0.001 0.000 0.217 144 G HA3 -0.323 3.638 3.960 0.001 0.000 0.217 144 G C 1.391 176.147 174.900 -0.241 0.000 1.168 144 G CA 1.067 46.194 45.100 0.045 0.000 0.771 144 G HN 0.279 nan 8.290 nan 0.000 0.551 145 Y N 0.771 120.724 120.300 -0.579 0.000 2.133 145 Y HA 0.025 4.576 4.550 0.001 0.000 0.287 145 Y C 2.416 178.055 175.900 -0.435 0.000 1.134 145 Y CA 1.064 58.587 58.100 -0.961 0.000 1.133 145 Y CB -0.595 37.464 38.460 -0.669 0.000 0.987 145 Y HN 0.146 nan 8.280 nan 0.000 0.502 146 F N 0.390 120.102 119.950 -0.396 0.000 2.146 146 F HA -0.002 4.525 4.527 0.001 0.000 0.298 146 F C 2.711 178.325 175.800 -0.311 0.000 1.096 146 F CA 1.439 59.163 58.000 -0.460 0.000 1.275 146 F CB -1.246 37.578 39.000 -0.293 0.000 1.008 146 F HN 0.151 nan 8.300 nan 0.000 0.480 147 G N -1.093 107.700 108.800 -0.011 0.000 2.469 147 G HA2 -0.349 3.611 3.960 0.001 0.000 0.219 147 G HA3 -0.349 3.611 3.960 0.001 0.000 0.219 147 G C 1.554 176.434 174.900 -0.033 0.000 1.150 147 G CA 0.838 45.927 45.100 -0.018 0.000 0.763 147 G HN 0.538 nan 8.290 nan 0.000 0.561 148 W N 0.921 122.076 121.300 -0.242 0.000 2.381 148 W HA -0.042 4.618 4.660 0.001 0.000 0.301 148 W C 2.380 178.761 176.519 -0.230 0.000 1.205 148 W CA 1.580 58.815 57.345 -0.184 0.000 1.285 148 W CB -0.337 29.000 29.460 -0.206 0.000 1.133 148 W HN 0.027 nan 8.180 nan 0.000 0.521 149 V N 1.688 121.368 119.914 -0.391 0.000 2.287 149 V HA -0.334 3.787 4.120 0.001 0.000 0.248 149 V C 2.526 178.292 176.094 -0.547 0.000 1.053 149 V CA 2.422 64.320 62.300 -0.669 0.000 1.027 149 V CB -1.698 29.797 31.823 -0.548 0.000 0.646 149 V HN 0.364 nan 8.190 nan 0.000 0.447 150 A N -0.647 121.986 122.820 -0.312 0.000 1.930 150 A HA -0.235 4.085 4.320 0.001 0.000 0.217 150 A C 2.141 179.581 177.584 -0.239 0.000 1.175 150 A CA 1.822 53.724 52.037 -0.225 0.000 0.627 150 A CB -0.473 18.441 19.000 -0.145 0.000 0.815 150 A HN 0.531 nan 8.150 nan 0.000 0.443 151 Q N 0.477 120.133 119.800 -0.241 0.000 2.369 151 Q HA -0.018 4.322 4.340 0.001 0.000 0.206 151 Q C 1.101 176.947 176.000 -0.256 0.000 0.963 151 Q CA 1.242 56.929 55.803 -0.193 0.000 0.894 151 Q CB -0.359 28.310 28.738 -0.116 0.000 0.965 151 Q HN 0.572 nan 8.270 nan 0.000 0.475 152 N N -0.388 118.048 118.700 -0.441 0.000 2.449 152 N HA 0.063 4.804 4.740 0.001 0.000 0.191 152 N C 0.387 175.692 175.510 -0.341 0.000 1.161 152 N CA 0.895 53.682 53.050 -0.440 0.000 0.863 152 N CB 0.420 38.455 38.487 -0.753 0.000 0.980 152 N HN 0.462 nan 8.380 nan 0.000 0.458 153 G N 0.708 109.341 108.800 -0.278 0.000 2.179 153 G HA2 -0.298 3.663 3.960 0.001 0.000 0.260 153 G HA3 -0.298 3.663 3.960 0.001 0.000 0.260 153 G C 0.001 174.781 174.900 -0.199 0.000 0.977 153 G CA -0.099 44.889 45.100 -0.186 0.000 0.641 153 G HN 0.407 nan 8.290 nan 0.000 0.533 154 F N 2.651 122.308 119.950 -0.488 0.000 2.438 154 F HA 0.516 5.044 4.527 0.001 0.000 0.356 154 F C 0.641 176.262 175.800 -0.299 0.000 1.099 154 F CA -0.776 56.971 58.000 -0.421 0.000 1.185 154 F CB 0.640 39.219 39.000 -0.701 0.000 1.115 154 F HN 0.152 nan 8.300 nan 0.000 0.526 155 E N 7.749 127.495 120.200 -0.757 0.000 2.105 155 E HA 0.193 4.544 4.350 0.001 0.000 0.285 155 E C -0.546 175.755 176.600 -0.497 0.000 1.055 155 E CA -0.356 55.746 56.400 -0.498 0.000 0.843 155 E CB 1.281 30.740 29.700 -0.403 0.000 1.067 155 E HN 0.612 nan 8.360 nan 0.000 0.398 156 L N 4.672 125.776 121.223 -0.199 0.000 2.439 156 L HA 0.292 4.632 4.340 0.001 0.000 0.261 156 L C -1.583 175.198 176.870 -0.148 0.000 1.153 156 L CA -1.743 53.046 54.840 -0.086 0.000 0.808 156 L CB -0.102 41.887 42.059 -0.118 0.000 1.126 156 L HN 0.350 nan 8.230 nan 0.000 0.460 157 P HA 0.059 nan 4.420 nan 0.000 0.274 157 P C 0.257 177.473 177.300 -0.141 0.000 1.237 157 P CA -0.432 62.598 63.100 -0.116 0.000 0.793 157 P CB 0.933 32.587 31.700 -0.077 0.000 0.977 158 E N 0.832 120.966 120.200 -0.110 0.000 2.048 158 E HA -0.198 4.152 4.350 0.001 0.000 0.202 158 E C 0.580 177.105 176.600 -0.124 0.000 1.021 158 E CA 1.210 57.546 56.400 -0.107 0.000 0.825 158 E CB -0.217 29.439 29.700 -0.073 0.000 0.756 158 E HN 0.451 nan 8.360 nan 0.000 0.454 159 N N 0.599 119.241 118.700 -0.097 0.000 2.439 159 N HA 0.017 4.757 4.740 0.001 0.000 0.243 159 N C 0.740 176.148 175.510 -0.170 0.000 1.088 159 N CA 0.024 53.015 53.050 -0.097 0.000 0.940 159 N CB 0.418 38.900 38.487 -0.009 0.000 1.180 159 N HN 0.062 nan 8.380 nan 0.000 0.505 160 R N 2.063 122.361 120.500 -0.337 0.000 2.127 160 R HA -0.102 4.238 4.340 0.001 0.000 0.238 160 R C 1.067 177.035 176.300 -0.552 0.000 1.134 160 R CA 1.364 57.104 56.100 -0.600 0.000 0.975 160 R CB 0.199 29.777 30.300 -1.202 0.000 0.865 160 R HN 0.653 nan 8.270 nan 0.000 0.447 161 E N 0.219 120.189 120.200 -0.384 0.000 2.472 161 E HA -0.132 4.219 4.350 0.001 0.000 0.200 161 E C 0.670 176.896 176.600 -0.624 0.000 1.046 161 E CA 0.443 56.593 56.400 -0.418 0.000 0.871 161 E CB 0.089 29.714 29.700 -0.125 0.000 0.806 161 E HN 0.299 nan 8.360 nan 0.000 0.533 162 D N 0.882 121.142 120.400 -0.233 0.000 2.378 162 D HA -0.121 4.520 4.640 0.001 0.000 0.222 162 D C 1.917 178.182 176.300 -0.058 0.000 0.980 162 D CA 0.391 54.391 54.000 -0.000 0.000 0.907 162 D CB -0.225 40.633 40.800 0.097 0.000 0.899 162 D HN 0.437 nan 8.370 nan 0.000 0.527 163 I N -2.906 117.526 120.570 -0.229 0.000 2.423 163 I HA -0.166 4.005 4.170 0.001 0.000 0.254 163 I C 1.019 177.062 176.117 -0.123 0.000 1.151 163 I CA 1.078 62.253 61.300 -0.208 0.000 1.421 163 I CB -0.289 37.492 38.000 -0.366 0.000 1.079 163 I HN -0.067 nan 8.210 nan 0.000 0.431 164 W N 2.017 123.347 121.300 0.049 0.000 3.330 164 W HA 0.462 5.123 4.660 0.001 0.000 0.348 164 W C 0.407 177.045 176.519 0.198 0.000 1.205 164 W CA -0.996 56.408 57.345 0.098 0.000 1.841 164 W CB -0.734 28.761 29.460 0.057 0.000 1.084 164 W HN 0.101 nan 8.180 nan 0.000 0.665 165 L N 2.468 123.910 121.223 0.366 0.000 2.439 165 L HA 0.173 4.514 4.340 0.001 0.000 0.269 165 L C -1.674 175.354 176.870 0.263 0.000 1.179 165 L CA -1.580 53.468 54.840 0.347 0.000 0.828 165 L CB 0.017 42.236 42.059 0.267 0.000 1.106 165 L HN -0.443 nan 8.230 nan 0.000 0.467 166 P HA 0.061 nan 4.420 nan 0.000 0.271 166 P C -0.757 176.622 177.300 0.132 0.000 1.218 166 P CA -0.353 62.855 63.100 0.180 0.000 0.780 166 P CB 0.576 32.375 31.700 0.164 0.000 0.901 167 E N 1.373 121.633 120.200 0.101 0.000 2.404 167 E HA 0.401 4.752 4.350 0.001 0.000 0.261 167 E C 0.073 176.714 176.600 0.068 0.000 1.074 167 E CA 0.435 56.879 56.400 0.074 0.000 0.917 167 E CB -0.026 29.697 29.700 0.039 0.000 0.965 167 E HN 0.701 nan 8.360 nan 0.000 0.433 168 G N 1.404 110.238 108.800 0.057 0.000 2.879 168 G HA2 -0.068 3.893 3.960 0.001 0.000 0.686 168 G HA3 -0.068 3.893 3.960 0.001 0.000 0.686 168 G C 0.174 175.092 174.900 0.031 0.000 1.115 168 G CA -0.174 44.957 45.100 0.052 0.000 0.770 168 G HN 0.664 nan 8.290 nan 0.000 0.601 169 E N 0.112 120.294 120.200 -0.031 0.000 2.463 169 E HA 0.250 4.600 4.350 0.001 0.000 0.191 169 E C 1.336 177.792 176.600 -0.241 0.000 1.083 169 E CA 1.456 57.784 56.400 -0.120 0.000 0.872 169 E CB -0.358 29.244 29.700 -0.164 0.000 0.966 169 E HN 0.959 nan 8.360 nan 0.000 0.491 170 H N -1.227 117.863 119.070 0.033 0.000 2.755 170 H HA 0.290 4.847 4.556 0.001 0.000 0.273 170 H C 0.100 175.448 175.328 0.034 0.000 1.055 170 H CA 0.106 56.172 56.048 0.030 0.000 1.191 170 H CB 1.292 31.070 29.762 0.026 0.000 1.536 170 H HN 0.221 nan 8.280 nan 0.000 0.529 171 S N 1.534 117.312 115.700 0.130 0.000 2.452 171 S HA 0.213 4.684 4.470 0.001 0.000 0.284 171 S C 0.026 174.678 174.600 0.087 0.000 1.171 171 S CA -0.634 57.630 58.200 0.106 0.000 1.064 171 S CB 1.427 64.688 63.200 0.102 0.000 0.967 171 S HN 0.015 nan 8.310 nan 0.000 0.484 172 V N 5.952 125.909 119.914 0.072 0.000 2.614 172 V HA 0.200 4.321 4.120 0.001 0.000 0.291 172 V C -1.949 174.178 176.094 0.055 0.000 1.049 172 V CA -1.707 60.625 62.300 0.054 0.000 1.038 172 V CB 0.039 31.883 31.823 0.034 0.000 0.980 172 V HN 0.631 nan 8.190 nan 0.000 0.481 173 P HA 0.462 nan 4.420 nan 0.000 0.267 173 P C 0.378 177.689 177.300 0.019 0.000 1.200 173 P CA 0.915 64.067 63.100 0.086 0.000 0.772 173 P CB 0.534 32.290 31.700 0.094 0.000 0.855 174 G N 0.328 109.119 108.800 -0.016 0.000 2.315 174 G HA2 0.310 4.271 3.960 0.001 0.000 0.296 174 G HA3 0.310 4.271 3.960 0.001 0.000 0.296 174 G C -0.904 173.631 174.900 -0.608 0.000 1.289 174 G CA -0.405 44.435 45.100 -0.434 0.000 0.996 174 G HN 0.528 nan 8.290 nan 0.000 0.487 175 A N -0.612 121.640 122.820 -0.946 0.000 2.587 175 A HA 0.572 4.893 4.320 0.001 0.000 0.235 175 A C 0.771 178.319 177.584 -0.060 0.000 1.044 175 A CA 2.063 53.893 52.037 -0.346 0.000 0.754 175 A CB 0.107 18.977 19.000 -0.217 0.000 0.968 175 A HN 2.176 nan 8.150 nan 0.000 0.509 176 T N 0.023 114.635 114.554 0.096 0.000 2.923 176 T HA 0.456 4.807 4.350 0.001 0.000 0.311 176 T C -0.045 174.753 174.700 0.162 0.000 1.183 176 T CA 0.108 62.280 62.100 0.120 0.000 1.020 176 T CB 1.276 70.234 68.868 0.151 0.000 1.165 176 T HN 0.755 nan 8.240 nan 0.000 0.482 177 D N 1.809 122.300 120.400 0.151 0.000 2.349 177 D HA 0.146 4.786 4.640 0.001 0.000 0.214 177 D C 0.189 176.667 176.300 0.296 0.000 1.063 177 D CA 0.016 54.131 54.000 0.192 0.000 0.847 177 D CB 0.315 41.193 40.800 0.130 0.000 0.933 177 D HN 0.180 nan 8.370 nan 0.000 0.513 178 K N 1.987 122.516 120.400 0.215 0.000 2.174 178 K HA 0.327 4.648 4.320 0.001 0.000 0.275 178 K C -2.348 174.282 176.600 0.049 0.000 1.015 178 K CA -1.878 54.490 56.287 0.135 0.000 0.933 178 K CB 1.217 33.777 32.500 0.101 0.000 1.025 178 K HN 0.118 nan 8.250 nan 0.000 0.463 179 P HA -0.014 nan 4.420 nan 0.000 0.273 179 P C 0.034 177.352 177.300 0.031 0.000 1.250 179 P CA -0.294 62.646 63.100 -0.267 0.000 0.793 179 P CB 0.434 31.790 31.700 -0.573 0.000 1.011 180 S N 0.662 116.449 115.700 0.146 0.000 2.617 180 S HA 0.136 4.606 4.470 0.001 0.000 0.255 180 S C 1.025 175.725 174.600 0.166 0.000 1.318 180 S CA -0.394 57.942 58.200 0.227 0.000 0.978 180 S CB 0.195 63.610 63.200 0.359 0.000 0.961 180 S HN 0.374 nan 8.310 nan 0.000 0.582 181 R N -0.566 120.042 120.500 0.180 0.000 2.334 181 R HA 0.400 4.740 4.340 0.001 0.000 0.216 181 R C -0.090 176.325 176.300 0.191 0.000 0.905 181 R CA -0.011 56.188 56.100 0.166 0.000 1.064 181 R CB -0.361 30.032 30.300 0.155 0.000 1.046 181 R HN 0.627 nan 8.270 nan 0.000 0.508 182 I N 1.719 122.363 120.570 0.125 0.000 2.441 182 I HA 0.343 4.513 4.170 0.001 0.000 0.295 182 I C -2.504 173.648 176.117 0.058 0.000 0.994 182 I CA -2.967 58.310 61.300 -0.039 0.000 1.144 182 I CB 1.960 39.891 38.000 -0.116 0.000 1.314 182 I HN -0.194 nan 8.210 nan 0.000 0.445 183 P HA 0.089 nan 4.420 nan 0.000 0.271 183 P C -0.273 177.077 177.300 0.083 0.000 1.218 183 P CA -0.300 62.844 63.100 0.074 0.000 0.780 183 P CB 0.481 32.206 31.700 0.042 0.000 0.901 184 K N 3.294 123.760 120.400 0.110 0.000 2.218 184 K HA -0.200 4.120 4.320 0.001 0.000 0.205 184 K C 1.032 177.686 176.600 0.090 0.000 1.046 184 K CA 1.544 57.931 56.287 0.167 0.000 0.933 184 K CB -0.286 32.361 32.500 0.245 0.000 0.728 184 K HN 0.428 nan 8.250 nan 0.000 0.454 185 E N 0.319 120.457 120.200 -0.104 0.000 2.511 185 E HA -0.111 4.239 4.350 0.001 0.000 0.196 185 E C 0.136 176.604 176.600 -0.220 0.000 1.066 185 E CA 0.408 56.670 56.400 -0.230 0.000 0.871 185 E CB -0.071 29.381 29.700 -0.413 0.000 0.863 185 E HN 0.458 nan 8.360 nan 0.000 0.520 186 F N 1.464 121.526 119.950 0.186 0.000 2.791 186 F HA 0.198 4.726 4.527 0.001 0.000 0.316 186 F C 0.584 176.649 175.800 0.442 0.000 1.134 186 F CA -1.123 57.029 58.000 0.253 0.000 1.222 186 F CB -0.014 38.879 39.000 -0.178 0.000 1.034 186 F HN -0.115 nan 8.300 nan 0.000 0.516 187 S N 0.197 116.191 115.700 0.490 0.000 2.579 187 S HA 0.013 4.484 4.470 0.001 0.000 0.275 187 S C 1.385 176.174 174.600 0.314 0.000 1.345 187 S CA -0.129 58.310 58.200 0.399 0.000 1.031 187 S CB 0.802 64.145 63.200 0.238 0.000 0.892 187 S HN 0.471 nan 8.310 nan 0.000 0.529 188 D N 1.932 122.314 120.400 -0.031 0.000 2.149 188 D HA -0.152 4.488 4.640 0.001 0.000 0.198 188 D C 1.594 177.723 176.300 -0.284 0.000 0.990 188 D CA 1.366 54.999 54.000 -0.613 0.000 0.839 188 D CB -0.681 39.633 40.800 -0.810 0.000 0.948 188 D HN 0.503 nan 8.370 nan 0.000 0.460 189 S N 0.205 115.927 115.700 0.036 0.000 2.382 189 S HA -0.115 4.356 4.470 0.001 0.000 0.228 189 S C 2.112 176.820 174.600 0.180 0.000 1.027 189 S CA 1.559 59.907 58.200 0.248 0.000 0.991 189 S CB -0.343 62.956 63.200 0.166 0.000 0.823 189 S HN 0.408 nan 8.310 nan 0.000 0.469 190 T N 1.798 116.417 114.554 0.110 0.000 2.777 190 T HA -0.061 4.290 4.350 0.001 0.000 0.266 190 T C 1.409 176.052 174.700 -0.096 0.000 1.040 190 T CA 1.173 63.336 62.100 0.104 0.000 1.141 190 T CB -0.434 68.579 68.868 0.241 0.000 0.868 190 T HN 0.451 nan 8.240 nan 0.000 0.444 191 F N 1.894 121.518 119.950 -0.543 0.000 2.065 191 F HA -0.161 4.367 4.527 0.001 0.000 0.298 191 F C 1.668 177.024 175.800 -0.739 0.000 1.112 191 F CA 1.244 58.541 58.000 -1.172 0.000 1.212 191 F CB -0.788 37.432 39.000 -1.300 0.000 0.975 191 F HN 0.106 nan 8.300 nan 0.000 0.476 192 F N 0.707 120.228 119.950 -0.715 0.000 2.171 192 F HA -0.144 4.383 4.527 0.001 0.000 0.300 192 F C 2.636 178.059 175.800 -0.628 0.000 1.090 192 F CA 1.750 59.236 58.000 -0.856 0.000 1.293 192 F CB -1.701 36.793 39.000 -0.843 0.000 1.013 192 F HN -0.056 nan 8.300 nan 0.000 0.486 193 T N -0.633 113.801 114.554 -0.199 0.000 2.746 193 T HA -0.236 4.114 4.350 0.001 0.000 0.267 193 T C 1.888 176.515 174.700 -0.122 0.000 1.039 193 T CA 1.593 63.651 62.100 -0.071 0.000 1.142 193 T CB -0.336 68.583 68.868 0.085 0.000 0.866 193 T HN 0.411 nan 8.240 nan 0.000 0.444 194 E N 0.794 120.898 120.200 -0.161 0.000 2.110 194 E HA -0.192 4.159 4.350 0.001 0.000 0.193 194 E C 2.323 178.820 176.600 -0.172 0.000 0.988 194 E CA 0.762 57.096 56.400 -0.110 0.000 0.804 194 E CB 0.080 29.775 29.700 -0.009 0.000 0.745 194 E HN 0.142 nan 8.360 nan 0.000 0.458 195 R N 0.502 120.799 120.500 -0.338 0.000 2.091 195 R HA -0.111 4.230 4.340 0.001 0.000 0.238 195 R C 2.306 178.505 176.300 -0.168 0.000 1.136 195 R CA 1.295 57.218 56.100 -0.294 0.000 0.959 195 R CB -1.209 28.796 30.300 -0.492 0.000 0.856 195 R HN 0.333 nan 8.270 nan 0.000 0.437 196 A N 1.414 124.124 122.820 -0.183 0.000 1.877 196 A HA -0.132 4.189 4.320 0.001 0.000 0.216 196 A C 2.195 179.720 177.584 -0.098 0.000 1.186 196 A CA 1.132 53.099 52.037 -0.117 0.000 0.620 196 A CB -0.446 18.485 19.000 -0.116 0.000 0.822 196 A HN 0.087 nan 8.150 nan 0.000 0.443 197 L N -0.162 120.981 121.223 -0.132 0.000 2.017 197 L HA -0.126 4.215 4.340 0.001 0.000 0.208 197 L C 2.729 179.457 176.870 -0.236 0.000 1.073 197 L CA 2.428 57.137 54.840 -0.218 0.000 0.745 197 L CB -1.946 40.013 42.059 -0.166 0.000 0.894 197 L HN 0.382 nan 8.230 nan 0.000 0.432 198 T N -1.294 113.183 114.554 -0.129 0.000 2.665 198 T HA -0.281 4.070 4.350 0.001 0.000 0.268 198 T C 1.762 176.415 174.700 -0.078 0.000 1.035 198 T CA 1.888 63.938 62.100 -0.084 0.000 1.151 198 T CB -0.432 68.422 68.868 -0.023 0.000 0.862 198 T HN 0.335 nan 8.240 nan 0.000 0.438 199 Y N 1.607 121.815 120.300 -0.153 0.000 2.114 199 Y HA -0.061 4.489 4.550 0.001 0.000 0.284 199 Y C 2.062 177.864 175.900 -0.164 0.000 1.143 199 Y CA 1.154 59.174 58.100 -0.133 0.000 1.135 199 Y CB -0.593 37.786 38.460 -0.135 0.000 0.980 199 Y HN 0.112 nan 8.280 nan 0.000 0.499 200 L N 0.214 121.275 121.223 -0.270 0.000 2.079 200 L HA -0.267 4.073 4.340 0.001 0.000 0.210 200 L C 2.417 179.135 176.870 -0.253 0.000 1.081 200 L CA 1.864 56.491 54.840 -0.356 0.000 0.752 200 L CB -0.511 41.410 42.059 -0.230 0.000 0.896 200 L HN 0.174 nan 8.230 nan 0.000 0.433 201 K N -0.237 119.972 120.400 -0.319 0.000 2.062 201 K HA -0.069 4.251 4.320 0.001 0.000 0.205 201 K C 2.195 178.726 176.600 -0.116 0.000 1.051 201 K CA 1.083 57.254 56.287 -0.194 0.000 0.941 201 K CB -0.504 31.843 32.500 -0.256 0.000 0.719 201 K HN 0.368 nan 8.250 nan 0.000 0.440 202 G N 1.659 110.351 108.800 -0.180 0.000 2.469 202 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 202 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 202 G C 1.516 176.313 174.900 -0.171 0.000 1.136 202 G CA 0.595 45.598 45.100 -0.162 0.000 0.759 202 G HN 0.136 nan 8.290 nan 0.000 0.562 203 R N -0.067 120.271 120.500 -0.269 0.000 2.115 203 R HA -0.045 4.295 4.340 0.001 0.000 0.230 203 R C 0.983 177.268 176.300 -0.025 0.000 1.111 203 R CA 0.911 56.906 56.100 -0.176 0.000 0.976 203 R CB -0.523 29.650 30.300 -0.211 0.000 0.870 203 R HN 0.332 nan 8.270 nan 0.000 0.445 204 D N -0.939 119.469 120.400 0.014 0.000 2.689 204 D HA -0.178 4.462 4.640 0.001 0.000 0.237 204 D C 0.674 177.021 176.300 0.078 0.000 1.148 204 D CA 1.372 55.410 54.000 0.063 0.000 0.656 204 D CB -1.248 39.573 40.800 0.035 0.000 1.050 204 D HN 0.564 nan 8.370 nan 0.000 0.426 205 G N -0.704 108.167 108.800 0.117 0.000 2.217 205 G HA2 -0.359 3.601 3.960 0.001 0.000 0.246 205 G HA3 -0.359 3.601 3.960 0.001 0.000 0.246 205 G C 0.515 175.490 174.900 0.126 0.000 0.990 205 G CA 0.442 45.616 45.100 0.124 0.000 0.627 205 G HN 0.596 nan 8.290 nan 0.000 0.522 206 K N 1.534 122.000 120.400 0.111 0.000 2.355 206 K HA 0.389 4.710 4.320 0.001 0.000 0.270 206 K C -2.185 174.517 176.600 0.170 0.000 1.003 206 K CA -1.238 55.107 56.287 0.098 0.000 0.957 206 K CB 0.460 32.996 32.500 0.061 0.000 0.939 206 K HN 0.095 nan 8.250 nan 0.000 0.482 207 P HA -0.020 nan 4.420 nan 0.000 0.269 207 P C -1.050 176.404 177.300 0.256 0.000 1.209 207 P CA 0.118 63.285 63.100 0.112 0.000 0.776 207 P CB 0.263 31.967 31.700 0.006 0.000 0.876 208 F N 0.778 120.926 119.950 0.331 0.000 2.599 208 F HA 0.724 5.252 4.527 0.001 0.000 0.311 208 F C -1.568 174.553 175.800 0.535 0.000 1.076 208 F CA -1.764 56.489 58.000 0.422 0.000 0.937 208 F CB 1.075 40.299 39.000 0.374 0.000 1.282 208 F HN 0.151 nan 8.300 nan 0.000 0.460 209 F N 3.819 124.143 119.950 0.623 0.000 2.443 209 F HA 0.799 5.327 4.527 0.001 0.000 0.335 209 F C -1.788 174.286 175.800 0.457 0.000 1.104 209 F CA -1.173 57.078 58.000 0.419 0.000 1.013 209 F CB 1.684 40.846 39.000 0.271 0.000 1.136 209 F HN 0.702 nan 8.300 nan 0.000 0.470 210 L N 6.666 127.631 121.223 -0.429 0.000 2.476 210 L HA 0.315 4.655 4.340 0.001 0.000 0.269 210 L C -1.621 174.854 176.870 -0.658 0.000 0.965 210 L CA -0.473 54.144 54.840 -0.371 0.000 0.845 210 L CB 1.195 43.165 42.059 -0.149 0.000 1.259 210 L HN 0.706 nan 8.230 nan 0.000 0.403 211 H N 5.977 124.762 119.070 -0.474 0.000 2.846 211 H HA 0.293 4.850 4.556 0.001 0.000 0.278 211 H C -1.370 173.751 175.328 -0.345 0.000 1.117 211 H CA -0.407 55.444 56.048 -0.329 0.000 1.406 211 H CB 1.148 30.833 29.762 -0.129 0.000 1.445 211 H HN 0.608 nan 8.280 nan 0.000 0.469 212 L N 6.227 127.222 121.223 -0.379 0.000 2.270 212 L HA 0.430 4.770 4.340 0.001 0.000 0.286 212 L C 0.073 176.608 176.870 -0.558 0.000 1.059 212 L CA -0.318 54.292 54.840 -0.383 0.000 0.839 212 L CB 0.709 42.611 42.059 -0.261 0.000 1.221 212 L HN 0.721 nan 8.230 nan 0.000 0.431 213 G N 4.148 112.582 108.800 -0.611 0.000 2.322 213 G HA2 0.383 4.344 3.960 0.001 0.000 0.309 213 G HA3 0.383 4.344 3.960 0.001 0.000 0.309 213 G C -1.403 172.869 174.900 -1.047 0.000 1.121 213 G CA -0.238 44.434 45.100 -0.714 0.000 0.886 213 G HN 0.511 nan 8.290 nan 0.000 0.447 214 Y N 1.187 121.143 120.300 -0.575 0.000 2.360 214 Y HA 0.263 4.814 4.550 0.001 0.000 0.337 214 Y C 0.844 176.605 175.900 -0.233 0.000 1.039 214 Y CA -0.609 57.242 58.100 -0.415 0.000 1.109 214 Y CB 1.946 40.326 38.460 -0.134 0.000 1.201 214 Y HN 0.645 nan 8.280 nan 0.000 0.458 215 Y N 1.935 122.200 120.300 -0.058 0.000 2.200 215 Y HA 0.000 4.551 4.550 0.001 0.000 0.290 215 Y C 0.878 176.830 175.900 0.088 0.000 1.137 215 Y CA 1.109 59.237 58.100 0.046 0.000 1.163 215 Y CB 0.158 38.559 38.460 -0.097 0.000 0.988 215 Y HN 0.393 nan 8.280 nan 0.000 0.518 216 R N 1.607 122.162 120.500 0.092 0.000 2.679 216 R HA 0.124 4.464 4.340 0.001 0.000 0.269 216 R C -2.092 174.165 176.300 -0.072 0.000 1.076 216 R CA -2.476 53.581 56.100 -0.072 0.000 1.160 216 R CB -1.190 29.071 30.300 -0.065 0.000 1.054 216 R HN 0.143 nan 8.270 nan 0.000 0.507 217 P HA 0.030 nan 4.420 nan 0.000 0.236 217 P C -0.161 177.111 177.300 -0.047 0.000 1.709 217 P CA -0.147 62.799 63.100 -0.257 0.000 0.942 217 P CB -0.189 31.077 31.700 -0.722 0.000 1.615 218 H N 2.904 121.808 119.070 -0.278 0.000 2.998 218 H HA 0.041 4.597 4.556 0.001 0.000 0.353 218 H C -1.879 173.189 175.328 -0.434 0.000 1.099 218 H CA -0.283 55.516 56.048 -0.414 0.000 1.393 218 H CB 0.415 29.593 29.762 -0.974 0.000 1.343 218 H HN 0.131 nan 8.280 nan 0.000 0.609 219 P HA 0.115 nan 4.420 nan 0.000 0.273 219 P C -2.683 174.372 177.300 -0.409 0.000 1.250 219 P CA -1.355 61.231 63.100 -0.857 0.000 0.793 219 P CB -0.391 30.447 31.700 -1.436 0.000 1.011 220 P HA 0.182 nan 4.420 nan 0.000 0.275 220 P C -0.511 176.644 177.300 -0.241 0.000 1.228 220 P CA 0.003 62.867 63.100 -0.394 0.000 0.786 220 P CB 0.118 31.776 31.700 -0.069 0.000 0.927 221 F N 1.896 121.803 119.950 -0.072 0.000 2.626 221 F HA 0.308 4.835 4.527 0.001 0.000 0.353 221 F C 0.822 176.752 175.800 0.216 0.000 1.230 221 F CA -0.510 57.518 58.000 0.047 0.000 1.298 221 F CB 0.334 39.349 39.000 0.025 0.000 1.670 221 F HN 0.018 nan 8.300 nan 0.000 0.633 222 V N 1.535 121.646 119.914 0.328 0.000 3.012 222 V HA 0.873 4.994 4.120 0.001 0.000 0.307 222 V C -1.395 174.857 176.094 0.264 0.000 1.166 222 V CA -0.511 61.981 62.300 0.319 0.000 0.974 222 V CB 2.044 34.075 31.823 0.346 0.000 1.040 222 V HN 0.367 nan 8.190 nan 0.000 0.428 223 A N 3.716 126.709 122.820 0.288 0.000 2.386 223 A HA 0.841 5.162 4.320 0.001 0.000 0.311 223 A C -0.073 177.702 177.584 0.318 0.000 1.068 223 A CA -0.467 51.740 52.037 0.283 0.000 0.743 223 A CB 1.810 20.986 19.000 0.294 0.000 1.258 223 A HN 0.973 nan 8.150 nan 0.000 0.429 224 S N 0.676 116.568 115.700 0.320 0.000 2.563 224 S HA 0.379 4.849 4.470 0.001 0.000 0.284 224 S C 0.877 175.695 174.600 0.363 0.000 1.331 224 S CA 0.300 58.681 58.200 0.303 0.000 1.047 224 S CB 0.435 63.813 63.200 0.297 0.000 0.859 224 S HN 1.434 nan 8.310 nan 0.000 0.514 225 A N 4.084 127.046 122.820 0.237 0.000 2.477 225 A HA 0.363 4.684 4.320 0.001 0.000 0.246 225 A C -1.391 176.261 177.584 0.113 0.000 1.078 225 A CA -0.937 51.262 52.037 0.270 0.000 0.770 225 A CB -0.082 19.005 19.000 0.145 0.000 1.011 225 A HN 0.641 nan 8.150 nan 0.000 0.494 226 P HA 0.114 nan 4.420 nan 0.000 0.266 226 P C 0.033 177.249 177.300 -0.140 0.000 1.381 226 P CA 0.357 63.415 63.100 -0.071 0.000 0.940 226 P CB -0.004 31.553 31.700 -0.239 0.000 1.435 227 Y N 0.446 120.824 120.300 0.131 0.000 2.509 227 Y HA -0.162 4.389 4.550 0.001 0.000 0.293 227 Y C 2.725 178.680 175.900 0.091 0.000 1.133 227 Y CA 1.484 59.628 58.100 0.074 0.000 1.283 227 Y CB -1.386 37.135 38.460 0.103 0.000 1.001 227 Y HN 0.302 nan 8.280 nan 0.000 0.555 228 H N -2.277 116.913 119.070 0.202 0.000 2.423 228 H HA 0.078 4.635 4.556 0.001 0.000 0.297 228 H C 1.898 177.300 175.328 0.122 0.000 1.075 228 H CA 1.255 57.405 56.048 0.170 0.000 1.342 228 H CB -0.139 29.716 29.762 0.155 0.000 1.395 228 H HN 0.150 nan 8.280 nan 0.000 0.530 229 A N 0.465 122.857 122.820 -0.714 0.000 2.390 229 A HA 0.267 4.587 4.320 0.001 0.000 0.232 229 A C 2.141 179.559 177.584 -0.277 0.000 1.233 229 A CA 0.144 51.896 52.037 -0.475 0.000 0.907 229 A CB -0.435 18.188 19.000 -0.628 0.000 0.967 229 A HN 0.463 nan 8.150 nan 0.000 0.512 230 M N -0.920 118.515 119.600 -0.275 0.000 2.106 230 M HA -0.123 4.358 4.480 0.001 0.000 0.259 230 M C -0.417 175.580 176.300 -0.505 0.000 1.068 230 M CA 1.684 56.731 55.300 -0.422 0.000 1.100 230 M CB -0.104 32.198 32.600 -0.498 0.000 1.351 230 M HN 0.389 nan 8.290 nan 0.000 0.404 231 Y N 0.245 120.542 120.300 -0.005 0.000 2.485 231 Y HA 0.440 4.990 4.550 0.001 0.000 0.345 231 Y C -0.475 175.429 175.900 0.008 0.000 0.998 231 Y CA -1.355 56.757 58.100 0.019 0.000 1.059 231 Y CB 0.976 39.473 38.460 0.062 0.000 1.234 231 Y HN -0.194 nan 8.280 nan 0.000 0.461 232 K N 1.171 121.669 120.400 0.165 0.000 2.156 232 K HA 0.475 4.796 4.320 0.001 0.000 0.271 232 K C 0.682 177.319 176.600 0.061 0.000 0.995 232 K CA -0.092 56.243 56.287 0.080 0.000 0.890 232 K CB 1.783 34.310 32.500 0.046 0.000 1.073 232 K HN 0.893 nan 8.250 nan 0.000 0.454 233 A N 3.055 125.896 122.820 0.035 0.000 1.927 233 A HA -0.237 4.084 4.320 0.001 0.000 0.220 233 A C 1.698 179.263 177.584 -0.030 0.000 1.185 233 A CA 2.038 54.075 52.037 -0.000 0.000 0.639 233 A CB -0.449 18.550 19.000 -0.002 0.000 0.820 233 A HN 0.855 nan 8.150 nan 0.000 0.451 234 E N -0.438 119.750 120.200 -0.019 0.000 2.409 234 E HA -0.178 4.173 4.350 0.001 0.000 0.198 234 E C 0.108 176.681 176.600 -0.046 0.000 1.024 234 E CA 1.248 57.628 56.400 -0.033 0.000 0.861 234 E CB -0.365 29.323 29.700 -0.020 0.000 0.788 234 E HN 0.581 nan 8.360 nan 0.000 0.521 235 D N 0.280 120.660 120.400 -0.034 0.000 2.350 235 D HA 0.088 4.728 4.640 0.001 0.000 0.213 235 D C 0.454 176.649 176.300 -0.175 0.000 1.031 235 D CA 0.222 54.196 54.000 -0.043 0.000 0.861 235 D CB 0.233 41.062 40.800 0.047 0.000 0.926 235 D HN 0.167 nan 8.370 nan 0.000 0.520 236 M N 1.688 121.149 119.600 -0.233 0.000 2.274 236 M HA 0.295 4.775 4.480 0.001 0.000 0.344 236 M C -2.224 173.803 176.300 -0.456 0.000 1.161 236 M CA -2.201 52.828 55.300 -0.453 0.000 1.126 236 M CB 0.165 32.602 32.600 -0.272 0.000 1.522 236 M HN -0.275 nan 8.290 nan 0.000 0.461 237 P HA 0.277 nan 4.420 nan 0.000 0.271 237 P C -0.826 176.314 177.300 -0.266 0.000 1.218 237 P CA -0.432 62.425 63.100 -0.404 0.000 0.780 237 P CB 0.258 31.702 31.700 -0.427 0.000 0.901 238 A N 4.113 126.817 122.820 -0.194 0.000 2.386 238 A HA 0.496 4.816 4.320 0.001 0.000 0.248 238 A C -2.032 175.449 177.584 -0.173 0.000 1.082 238 A CA -1.104 50.836 52.037 -0.162 0.000 0.789 238 A CB -1.357 17.566 19.000 -0.130 0.000 1.025 238 A HN 0.430 nan 8.150 nan 0.000 0.490 239 P HA 0.307 nan 4.420 nan 0.000 0.270 239 P C -0.864 176.308 177.300 -0.213 0.000 1.223 239 P CA 0.085 63.061 63.100 -0.206 0.000 0.785 239 P CB 0.339 31.905 31.700 -0.223 0.000 0.923 240 I N 2.835 123.248 120.570 -0.263 0.000 2.330 240 I HA 0.433 4.604 4.170 0.001 0.000 0.289 240 I C 0.735 176.733 176.117 -0.198 0.000 1.001 240 I CA -0.289 60.863 61.300 -0.246 0.000 1.193 240 I CB 0.443 38.166 38.000 -0.462 0.000 1.345 240 I HN 0.354 nan 8.210 nan 0.000 0.461 241 R N 4.616 125.129 120.500 0.023 0.000 2.716 241 R HA 0.834 5.175 4.340 0.001 0.000 0.271 241 R C -1.124 175.229 176.300 0.088 0.000 1.028 241 R CA -1.063 55.106 56.100 0.116 0.000 0.883 241 R CB 1.078 31.221 30.300 -0.262 0.000 1.250 241 R HN 0.449 nan 8.270 nan 0.000 0.465 242 A N 0.513 123.483 122.820 0.251 0.000 2.325 242 A HA 0.065 4.386 4.320 0.001 0.000 0.260 242 A C 1.017 178.663 177.584 0.102 0.000 1.133 242 A CA 0.339 52.378 52.037 0.004 0.000 0.801 242 A CB 0.123 19.210 19.000 0.144 0.000 1.092 242 A HN 1.023 nan 8.150 nan 0.000 0.504 243 E N 0.011 120.213 120.200 0.003 0.000 2.204 243 E HA -0.142 4.208 4.350 0.001 0.000 0.195 243 E C 0.373 177.012 176.600 0.065 0.000 0.990 243 E CA 1.342 57.752 56.400 0.016 0.000 0.821 243 E CB -0.075 29.611 29.700 -0.024 0.000 0.750 243 E HN 0.771 nan 8.360 nan 0.000 0.477 244 N N -2.739 115.964 118.700 0.005 0.000 3.046 244 N HA 0.070 4.810 4.740 0.001 0.000 0.243 244 N C -2.656 172.576 175.510 -0.462 0.000 1.452 244 N CA -1.225 51.750 53.050 -0.126 0.000 0.882 244 N CB 1.197 39.646 38.487 -0.064 0.000 1.425 244 N HN -0.334 nan 8.380 nan 0.000 0.517 245 P HA -0.112 nan 4.420 nan 0.000 0.216 245 P C 0.474 177.640 177.300 -0.223 0.000 1.150 245 P CA 1.512 64.306 63.100 -0.510 0.000 0.843 245 P CB 0.119 31.670 31.700 -0.248 0.000 0.787 246 D N -0.886 119.433 120.400 -0.136 0.000 2.144 246 D HA -0.074 4.567 4.640 0.001 0.000 0.200 246 D C 2.010 178.292 176.300 -0.031 0.000 0.978 246 D CA 1.354 55.317 54.000 -0.061 0.000 0.833 246 D CB -0.793 39.981 40.800 -0.043 0.000 0.961 246 D HN 0.069 nan 8.370 nan 0.000 0.470 247 A N 0.926 123.723 122.820 -0.039 0.000 1.908 247 A HA -0.228 4.092 4.320 0.001 0.000 0.218 247 A C 2.163 179.787 177.584 0.065 0.000 1.181 247 A CA 1.814 53.856 52.037 0.009 0.000 0.627 247 A CB -0.525 18.475 19.000 -0.001 0.000 0.818 247 A HN 0.127 nan 8.150 nan 0.000 0.445 248 E N -0.095 120.141 120.200 0.060 0.000 2.031 248 E HA -0.072 4.279 4.350 0.001 0.000 0.193 248 E C 2.125 178.808 176.600 0.138 0.000 0.994 248 E CA 1.495 57.991 56.400 0.160 0.000 0.800 248 E CB -0.421 29.375 29.700 0.160 0.000 0.752 248 E HN 0.504 nan 8.360 nan 0.000 0.447 249 A N 0.557 123.420 122.820 0.072 0.000 2.024 249 A HA -0.125 4.196 4.320 0.001 0.000 0.220 249 A C 2.320 179.952 177.584 0.080 0.000 1.164 249 A CA 1.821 53.904 52.037 0.076 0.000 0.643 249 A CB -0.844 18.177 19.000 0.034 0.000 0.806 249 A HN 0.355 nan 8.150 nan 0.000 0.451 250 A N -0.921 121.940 122.820 0.069 0.000 2.125 250 A HA -0.168 4.153 4.320 0.001 0.000 0.219 250 A C 2.064 179.697 177.584 0.081 0.000 1.156 250 A CA 1.566 53.636 52.037 0.056 0.000 0.671 250 A CB -0.472 18.556 19.000 0.047 0.000 0.794 250 A HN 0.701 nan 8.150 nan 0.000 0.459 251 Q N -1.329 118.558 119.800 0.146 0.000 2.084 251 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 251 Q C 0.237 176.350 176.000 0.188 0.000 0.978 251 Q CA 1.272 57.193 55.803 0.197 0.000 0.844 251 Q CB 0.019 28.941 28.738 0.307 0.000 0.898 251 Q HN 0.763 nan 8.270 nan 0.000 0.426 252 H N -2.826 116.284 119.070 0.068 0.000 3.094 252 H HA 0.132 4.688 4.556 0.001 0.000 0.346 252 H C -2.436 172.881 175.328 -0.019 0.000 1.238 252 H CA -1.441 54.591 56.048 -0.027 0.000 1.209 252 H CB 2.154 31.893 29.762 -0.038 0.000 1.911 252 H HN -0.165 nan 8.280 nan 0.000 0.540 253 P HA -0.125 nan 4.420 nan 0.000 0.216 253 P C 1.658 178.995 177.300 0.061 0.000 1.150 253 P CA 0.759 63.777 63.100 -0.137 0.000 0.837 253 P CB 0.359 31.896 31.700 -0.271 0.000 0.786 254 L N -1.563 119.813 121.223 0.254 0.000 2.093 254 L HA -0.098 4.243 4.340 0.001 0.000 0.208 254 L C 2.298 179.343 176.870 0.292 0.000 1.085 254 L CA 1.786 56.746 54.840 0.200 0.000 0.755 254 L CB -1.037 41.156 42.059 0.222 0.000 0.904 254 L HN -0.106 nan 8.230 nan 0.000 0.435 255 M N -0.262 119.558 119.600 0.365 0.000 2.117 255 M HA -0.239 4.242 4.480 0.001 0.000 0.262 255 M C 2.263 178.685 176.300 0.203 0.000 1.065 255 M CA 1.925 57.392 55.300 0.279 0.000 1.114 255 M CB -0.486 32.284 32.600 0.284 0.000 1.361 255 M HN 0.238 nan 8.290 nan 0.000 0.408 256 K N -1.687 118.807 120.400 0.158 0.000 2.057 256 K HA -0.269 4.052 4.320 0.001 0.000 0.207 256 K C 2.152 178.819 176.600 0.112 0.000 1.049 256 K CA 1.939 58.289 56.287 0.105 0.000 0.931 256 K CB -0.423 32.119 32.500 0.069 0.000 0.714 256 K HN 0.601 nan 8.250 nan 0.000 0.440 257 H N -0.625 118.450 119.070 0.008 0.000 2.290 257 H HA -0.179 4.377 4.556 0.001 0.000 0.298 257 H C 1.552 176.906 175.328 0.042 0.000 1.087 257 H CA 2.382 58.417 56.048 -0.022 0.000 1.291 257 H CB -0.351 29.244 29.762 -0.279 0.000 1.369 257 H HN 0.250 nan 8.280 nan 0.000 0.492 258 Y N 0.238 120.559 120.300 0.035 0.000 2.145 258 Y HA -0.165 4.386 4.550 0.001 0.000 0.286 258 Y C 2.755 178.641 175.900 -0.023 0.000 1.145 258 Y CA 1.129 59.213 58.100 -0.026 0.000 1.148 258 Y CB -0.432 38.064 38.460 0.059 0.000 0.981 258 Y HN 0.270 nan 8.280 nan 0.000 0.507 259 I N 0.137 120.792 120.570 0.142 0.000 2.163 259 I HA -0.314 3.856 4.170 0.001 0.000 0.243 259 I C 1.422 177.544 176.117 0.010 0.000 1.085 259 I CA 1.855 63.198 61.300 0.072 0.000 1.347 259 I CB -0.867 37.163 38.000 0.051 0.000 1.044 259 I HN 0.230 nan 8.210 nan 0.000 0.408 260 D N -0.856 119.525 120.400 -0.033 0.000 2.348 260 D HA -0.115 4.526 4.640 0.001 0.000 0.216 260 D C 1.754 177.845 176.300 -0.349 0.000 0.970 260 D CA 1.080 54.986 54.000 -0.157 0.000 0.889 260 D CB -0.026 40.681 40.800 -0.155 0.000 0.912 260 D HN 0.501 nan 8.370 nan 0.000 0.524 261 H N -1.445 117.548 119.070 -0.128 0.000 3.400 261 H HA 0.342 4.899 4.556 0.001 0.000 0.251 261 H C 0.385 175.720 175.328 0.010 0.000 1.040 261 H CA -0.322 55.655 56.048 -0.119 0.000 1.175 261 H CB 1.219 30.756 29.762 -0.375 0.000 1.487 261 H HN -0.051 nan 8.280 nan 0.000 0.505 262 I N 3.070 123.732 120.570 0.154 0.000 2.598 262 I HA 0.020 4.191 4.170 0.001 0.000 0.284 262 I C -0.114 176.095 176.117 0.153 0.000 1.140 262 I CA 0.020 61.431 61.300 0.185 0.000 1.420 262 I CB 0.320 38.415 38.000 0.160 0.000 1.387 262 I HN 0.055 nan 8.210 nan 0.000 0.553 263 R N 6.600 127.221 120.500 0.202 0.000 2.474 263 R HA 0.362 4.702 4.340 0.001 0.000 0.295 263 R C 0.826 177.282 176.300 0.260 0.000 0.980 263 R CA -0.730 55.480 56.100 0.183 0.000 0.934 263 R CB 0.807 31.200 30.300 0.155 0.000 1.101 263 R HN 0.548 nan 8.270 nan 0.000 0.469 264 R N 0.854 121.496 120.500 0.236 0.000 2.120 264 R HA -0.091 4.250 4.340 0.001 0.000 0.234 264 R C 1.861 178.384 176.300 0.372 0.000 1.123 264 R CA 1.682 57.994 56.100 0.353 0.000 0.975 264 R CB -0.267 30.210 30.300 0.297 0.000 0.866 264 R HN 0.796 nan 8.270 nan 0.000 0.446 265 G N 0.190 109.126 108.800 0.228 0.000 2.470 265 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 265 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 265 G C 1.155 176.101 174.900 0.076 0.000 1.121 265 G CA 0.590 45.780 45.100 0.150 0.000 0.766 265 G HN 0.232 nan 8.290 nan 0.000 0.553 266 S N -0.436 115.290 115.700 0.043 0.000 2.603 266 S HA 0.247 4.718 4.470 0.001 0.000 0.220 266 S C 0.946 175.103 174.600 -0.738 0.000 0.967 266 S CA 0.107 58.154 58.200 -0.255 0.000 0.920 266 S CB -0.105 62.931 63.200 -0.273 0.000 0.773 266 S HN 0.413 nan 8.310 nan 0.000 0.529 267 F N -0.675 119.081 119.950 -0.323 0.000 2.876 267 F HA 0.430 4.957 4.527 0.001 0.000 0.344 267 F C -0.420 174.741 175.800 -1.065 0.000 1.029 267 F CA -0.493 57.011 58.000 -0.828 0.000 1.154 267 F CB 0.835 39.329 39.000 -0.844 0.000 1.040 267 F HN 0.000 nan 8.300 nan 0.000 0.576 268 F N -0.824 119.175 119.950 0.082 0.000 2.579 268 F HA 0.313 4.840 4.527 0.001 0.000 0.325 268 F C -0.080 175.813 175.800 0.154 0.000 1.162 268 F CA -1.406 56.674 58.000 0.133 0.000 0.946 268 F CB 0.368 39.471 39.000 0.171 0.000 1.211 268 F HN -0.205 nan 8.300 nan 0.000 0.447 269 H N 1.920 121.146 119.070 0.260 0.000 3.107 269 H HA 0.392 4.949 4.556 0.001 0.000 0.301 269 H C 1.136 176.596 175.328 0.220 0.000 0.981 269 H CA 1.590 57.782 56.048 0.240 0.000 1.443 269 H CB 0.530 30.485 29.762 0.323 0.000 1.479 269 H HN 0.878 nan 8.280 nan 0.000 0.564 270 G N 2.610 111.239 108.800 -0.285 0.000 2.299 270 G HA2 -0.282 3.678 3.960 0.001 0.000 0.237 270 G HA3 -0.282 3.678 3.960 0.001 0.000 0.237 270 G C 0.633 175.532 174.900 -0.002 0.000 1.027 270 G CA 0.135 45.136 45.100 -0.165 0.000 0.619 270 G HN 1.020 nan 8.290 nan 0.000 0.513 271 A N 0.311 123.186 122.820 0.092 0.000 2.448 271 A HA 0.552 4.873 4.320 0.001 0.000 0.239 271 A C 0.382 178.023 177.584 0.095 0.000 1.080 271 A CA 0.841 52.947 52.037 0.114 0.000 0.779 271 A CB 0.212 19.335 19.000 0.204 0.000 1.026 271 A HN 0.527 nan 8.150 nan 0.000 0.499 272 E N -0.259 119.987 120.200 0.076 0.000 2.272 272 E HA 0.571 4.921 4.350 0.001 0.000 0.269 272 E C 0.018 176.658 176.600 0.066 0.000 0.877 272 E CA 0.039 56.479 56.400 0.067 0.000 0.755 272 E CB 2.056 31.783 29.700 0.044 0.000 1.192 272 E HN 1.552 nan 8.360 nan 0.000 0.422 273 G N 1.370 110.212 108.800 0.070 0.000 2.362 273 G HA2 -0.164 3.797 3.960 0.001 0.000 0.517 273 G HA3 -0.164 3.797 3.960 0.001 0.000 0.517 273 G C -0.781 174.161 174.900 0.071 0.000 1.256 273 G CA -0.424 44.711 45.100 0.057 0.000 1.027 273 G HN 0.421 nan 8.290 nan 0.000 0.491 274 S N 0.272 116.003 115.700 0.051 0.000 2.474 274 S HA 0.500 4.970 4.470 0.001 0.000 0.276 274 S C 1.834 176.473 174.600 0.066 0.000 1.227 274 S CA 0.865 59.094 58.200 0.048 0.000 1.050 274 S CB 0.645 63.858 63.200 0.022 0.000 0.939 274 S HN 2.076 nan 8.310 nan 0.000 0.490 275 G N 4.127 112.973 108.800 0.076 0.000 2.469 275 G HA2 -0.190 3.770 3.960 0.001 0.000 0.220 275 G HA3 -0.190 3.770 3.960 0.001 0.000 0.220 275 G C 1.527 176.449 174.900 0.036 0.000 1.136 275 G CA 0.830 45.961 45.100 0.051 0.000 0.759 275 G HN 0.990 nan 8.290 nan 0.000 0.562 276 A N 0.479 123.329 122.820 0.051 0.000 2.070 276 A HA 0.048 4.368 4.320 0.001 0.000 0.220 276 A C 2.406 180.065 177.584 0.126 0.000 1.159 276 A CA 2.247 54.343 52.037 0.098 0.000 0.656 276 A CB -0.665 18.378 19.000 0.072 0.000 0.800 276 A HN 0.584 nan 8.150 nan 0.000 0.453 277 T N -2.131 112.466 114.554 0.072 0.000 3.188 277 T HA 0.454 4.805 4.350 0.001 0.000 0.250 277 T C 0.309 175.037 174.700 0.047 0.000 1.077 277 T CA -0.350 61.786 62.100 0.061 0.000 0.967 277 T CB -0.614 68.274 68.868 0.032 0.000 1.006 277 T HN 0.216 nan 8.240 nan 0.000 0.552 278 L N 3.195 124.443 121.223 0.043 0.000 2.416 278 L HA 0.337 4.677 4.340 0.001 0.000 0.272 278 L C 0.524 177.394 176.870 0.000 0.000 1.161 278 L CA -0.665 54.183 54.840 0.014 0.000 0.845 278 L CB 0.369 42.437 42.059 0.016 0.000 1.119 278 L HN 0.463 nan 8.230 nan 0.000 0.464 279 D N 0.239 120.631 120.400 -0.014 0.000 2.387 279 D HA 0.024 4.665 4.640 0.001 0.000 0.251 279 D C 0.818 177.092 176.300 -0.044 0.000 1.141 279 D CA -0.660 53.327 54.000 -0.021 0.000 0.987 279 D CB 0.726 41.516 40.800 -0.017 0.000 1.116 279 D HN 0.599 nan 8.370 nan 0.000 0.491 280 E N -0.011 120.158 120.200 -0.052 0.000 2.118 280 E HA -0.182 4.169 4.350 0.001 0.000 0.195 280 E C 2.030 178.593 176.600 -0.062 0.000 0.992 280 E CA 1.630 57.988 56.400 -0.071 0.000 0.804 280 E CB -0.667 28.991 29.700 -0.070 0.000 0.741 280 E HN 0.648 nan 8.360 nan 0.000 0.458 281 G N 0.441 109.213 108.800 -0.047 0.000 2.418 281 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 281 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 281 G C 1.297 176.175 174.900 -0.038 0.000 1.158 281 G CA 0.944 46.020 45.100 -0.040 0.000 0.771 281 G HN 0.368 nan 8.290 nan 0.000 0.545 282 E N 0.042 120.218 120.200 -0.040 0.000 2.107 282 E HA -0.020 4.330 4.350 0.001 0.000 0.191 282 E C 2.513 179.097 176.600 -0.027 0.000 0.982 282 E CA 0.375 56.748 56.400 -0.044 0.000 0.809 282 E CB -0.047 29.615 29.700 -0.062 0.000 0.756 282 E HN 0.314 nan 8.360 nan 0.000 0.459 283 I N 1.194 121.741 120.570 -0.038 0.000 2.226 283 I HA -0.232 3.938 4.170 0.001 0.000 0.245 283 I C 2.314 178.391 176.117 -0.067 0.000 1.100 283 I CA 1.337 62.606 61.300 -0.051 0.000 1.374 283 I CB -0.823 37.119 38.000 -0.098 0.000 1.057 283 I HN 0.110 nan 8.210 nan 0.000 0.413 284 R N 0.329 120.787 120.500 -0.070 0.000 2.091 284 R HA -0.240 4.100 4.340 0.001 0.000 0.238 284 R C 2.291 178.569 176.300 -0.036 0.000 1.136 284 R CA 1.541 57.596 56.100 -0.073 0.000 0.959 284 R CB -0.296 29.962 30.300 -0.070 0.000 0.856 284 R HN 0.311 nan 8.270 nan 0.000 0.437 285 Q N 1.051 120.846 119.800 -0.008 0.000 2.046 285 Q HA -0.150 4.190 4.340 0.001 0.000 0.200 285 Q C 2.015 178.052 176.000 0.063 0.000 0.975 285 Q CA 1.787 57.609 55.803 0.031 0.000 0.836 285 Q CB -0.237 28.520 28.738 0.031 0.000 0.896 285 Q HN 0.300 nan 8.270 nan 0.000 0.428 286 M N -0.286 119.358 119.600 0.073 0.000 2.082 286 M HA -0.281 4.200 4.480 0.001 0.000 0.258 286 M C 1.964 178.220 176.300 -0.074 0.000 1.069 286 M CA 1.936 57.302 55.300 0.110 0.000 1.102 286 M CB -0.136 32.570 32.600 0.177 0.000 1.336 286 M HN 0.149 nan 8.290 nan 0.000 0.404 287 R N 0.047 120.482 120.500 -0.108 0.000 2.105 287 R HA -0.138 4.203 4.340 0.001 0.000 0.239 287 R C 2.291 178.613 176.300 0.036 0.000 1.135 287 R CA 1.611 57.646 56.100 -0.108 0.000 0.967 287 R CB -0.614 29.627 30.300 -0.098 0.000 0.861 287 R HN 0.600 nan 8.270 nan 0.000 0.442 288 A N 0.239 123.089 122.820 0.050 0.000 1.929 288 A HA -0.090 4.230 4.320 0.001 0.000 0.216 288 A C 2.113 179.799 177.584 0.171 0.000 1.176 288 A CA 1.563 53.672 52.037 0.121 0.000 0.628 288 A CB -0.506 18.573 19.000 0.132 0.000 0.816 288 A HN 0.267 nan 8.150 nan 0.000 0.444 289 T N -1.416 113.224 114.554 0.143 0.000 2.746 289 T HA -0.189 4.162 4.350 0.001 0.000 0.267 289 T C 1.782 176.544 174.700 0.103 0.000 1.039 289 T CA 1.616 63.818 62.100 0.170 0.000 1.142 289 T CB -0.472 68.528 68.868 0.220 0.000 0.866 289 T HN 0.561 nan 8.240 nan 0.000 0.444 290 Y N 1.009 121.199 120.300 -0.183 0.000 2.224 290 Y HA -0.212 4.339 4.550 0.001 0.000 0.289 290 Y C 2.532 178.294 175.900 -0.230 0.000 1.146 290 Y CA 0.583 58.482 58.100 -0.335 0.000 1.182 290 Y CB -0.668 37.449 38.460 -0.573 0.000 0.983 290 Y HN 0.208 nan 8.280 nan 0.000 0.524 291 C N -0.017 119.287 119.300 0.007 0.000 2.440 291 C HA -0.071 4.390 4.460 0.001 0.000 0.278 291 C C 2.971 177.964 174.990 0.005 0.000 1.295 291 C CA 1.205 60.142 59.018 -0.135 0.000 1.738 291 C CB -1.685 25.828 27.740 -0.380 0.000 1.987 291 C HN 0.814 nan 8.230 nan 0.000 0.492 292 G N 0.487 109.419 108.800 0.220 0.000 2.433 292 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 292 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 292 G C 1.554 176.473 174.900 0.031 0.000 1.186 292 G CA 0.592 45.885 45.100 0.321 0.000 0.779 292 G HN 0.508 nan 8.290 nan 0.000 0.543 293 L N 0.112 121.274 121.223 -0.101 0.000 2.042 293 L HA -0.092 4.249 4.340 0.001 0.000 0.210 293 L C 2.894 179.533 176.870 -0.387 0.000 1.076 293 L CA 0.812 55.502 54.840 -0.250 0.000 0.749 293 L CB -0.396 41.535 42.059 -0.215 0.000 0.893 293 L HN 0.216 nan 8.230 nan 0.000 0.432 294 I N -0.589 119.684 120.570 -0.496 0.000 2.179 294 I HA -0.296 3.875 4.170 0.001 0.000 0.242 294 I C 2.471 178.383 176.117 -0.342 0.000 1.088 294 I CA 1.669 62.566 61.300 -0.672 0.000 1.357 294 I CB -0.377 37.053 38.000 -0.949 0.000 1.051 294 I HN 0.253 nan 8.210 nan 0.000 0.409 295 T N -0.354 114.117 114.554 -0.138 0.000 2.867 295 T HA -0.197 4.153 4.350 0.001 0.000 0.268 295 T C 1.765 176.432 174.700 -0.055 0.000 1.057 295 T CA 1.203 63.322 62.100 0.031 0.000 1.136 295 T CB -0.179 68.857 68.868 0.280 0.000 0.874 295 T HN 0.418 nan 8.240 nan 0.000 0.466 296 E N 0.703 120.668 120.200 -0.391 0.000 2.110 296 E HA -0.120 4.231 4.350 0.001 0.000 0.193 296 E C 2.026 178.434 176.600 -0.321 0.000 0.988 296 E CA 0.995 56.988 56.400 -0.678 0.000 0.804 296 E CB -0.226 28.731 29.700 -1.237 0.000 0.745 296 E HN 0.497 nan 8.360 nan 0.000 0.458 297 I N 0.968 121.349 120.570 -0.314 0.000 2.286 297 I HA -0.241 3.929 4.170 0.001 0.000 0.248 297 I C 2.199 178.161 176.117 -0.258 0.000 1.115 297 I CA 1.533 62.611 61.300 -0.369 0.000 1.392 297 I CB -0.241 37.556 38.000 -0.338 0.000 1.065 297 I HN 0.188 nan 8.210 nan 0.000 0.418 298 D N 0.804 121.128 120.400 -0.126 0.000 2.117 298 D HA -0.212 4.429 4.640 0.001 0.000 0.197 298 D C 1.758 177.998 176.300 -0.101 0.000 0.987 298 D CA 1.272 55.220 54.000 -0.088 0.000 0.829 298 D CB 0.090 40.887 40.800 -0.006 0.000 0.961 298 D HN 0.199 nan 8.370 nan 0.000 0.460 299 D N -0.551 119.821 120.400 -0.047 0.000 2.117 299 D HA -0.145 4.496 4.640 0.001 0.000 0.197 299 D C 2.186 178.456 176.300 -0.049 0.000 0.987 299 D CA 0.658 54.655 54.000 -0.004 0.000 0.829 299 D CB -0.569 40.294 40.800 0.104 0.000 0.961 299 D HN 0.330 nan 8.370 nan 0.000 0.460 300 C N 0.498 119.750 119.300 -0.080 0.000 2.432 300 C HA -0.052 4.408 4.460 0.001 0.000 0.277 300 C C 2.913 177.829 174.990 -0.124 0.000 1.249 300 C CA 0.144 59.128 59.018 -0.056 0.000 1.725 300 C CB -1.055 26.670 27.740 -0.026 0.000 2.028 300 C HN 0.372 nan 8.230 nan 0.000 0.477 301 L N 0.803 121.866 121.223 -0.267 0.000 2.187 301 L HA -0.092 4.249 4.340 0.001 0.000 0.213 301 L C 2.709 179.151 176.870 -0.713 0.000 1.100 301 L CA 1.493 56.006 54.840 -0.544 0.000 0.765 301 L CB -1.075 40.568 42.059 -0.695 0.000 0.904 301 L HN 0.547 nan 8.230 nan 0.000 0.437 302 G N 0.063 108.641 108.800 -0.371 0.000 2.442 302 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 302 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 302 G C 1.748 176.604 174.900 -0.073 0.000 1.141 302 G CA 0.484 45.469 45.100 -0.191 0.000 0.763 302 G HN 0.330 nan 8.290 nan 0.000 0.554 303 R N -0.323 120.148 120.500 -0.049 0.000 2.092 303 R HA 0.036 4.377 4.340 0.001 0.000 0.231 303 R C 2.624 178.980 176.300 0.093 0.000 1.119 303 R CA 0.991 57.111 56.100 0.033 0.000 0.970 303 R CB -0.391 29.930 30.300 0.034 0.000 0.864 303 R HN 0.307 nan 8.270 nan 0.000 0.440 304 V N 0.517 120.461 119.914 0.051 0.000 2.379 304 V HA -0.190 3.931 4.120 0.001 0.000 0.245 304 V C 1.950 178.293 176.094 0.414 0.000 1.044 304 V CA 1.521 63.931 62.300 0.183 0.000 1.036 304 V CB -0.502 31.401 31.823 0.132 0.000 0.664 304 V HN 0.124 nan 8.190 nan 0.000 0.453 305 F N 1.190 121.279 119.950 0.232 0.000 2.171 305 F HA -0.080 4.447 4.527 0.001 0.000 0.300 305 F C 2.486 178.366 175.800 0.133 0.000 1.090 305 F CA 0.767 58.933 58.000 0.276 0.000 1.293 305 F CB -1.635 37.439 39.000 0.124 0.000 1.013 305 F HN 0.141 nan 8.300 nan 0.000 0.486 306 A N -0.707 122.271 122.820 0.263 0.000 1.902 306 A HA -0.262 4.059 4.320 0.001 0.000 0.217 306 A C 2.158 179.848 177.584 0.176 0.000 1.181 306 A CA 1.449 53.576 52.037 0.150 0.000 0.623 306 A CB -1.532 17.532 19.000 0.107 0.000 0.818 306 A HN 0.412 nan 8.150 nan 0.000 0.443 307 Y N 0.562 120.943 120.300 0.134 0.000 2.274 307 Y HA -0.119 4.431 4.550 0.001 0.000 0.290 307 Y C 1.893 177.889 175.900 0.160 0.000 1.145 307 Y CA 1.580 59.752 58.100 0.120 0.000 1.203 307 Y CB -0.215 38.302 38.460 0.095 0.000 0.984 307 Y HN 0.226 nan 8.280 nan 0.000 0.533 308 L N -0.566 120.775 121.223 0.198 0.000 2.056 308 L HA -0.192 4.148 4.340 0.001 0.000 0.207 308 L C 2.127 179.083 176.870 0.142 0.000 1.078 308 L CA 1.337 56.300 54.840 0.205 0.000 0.749 308 L CB -0.620 41.726 42.059 0.478 0.000 0.901 308 L HN 0.142 nan 8.230 nan 0.000 0.433 309 D N 0.494 120.973 120.400 0.132 0.000 2.087 309 D HA -0.198 4.442 4.640 0.001 0.000 0.192 309 D C 2.053 178.341 176.300 -0.020 0.000 0.993 309 D CA 1.378 55.396 54.000 0.030 0.000 0.828 309 D CB -0.210 40.550 40.800 -0.067 0.000 0.968 309 D HN 0.347 nan 8.370 nan 0.000 0.448 310 E N -0.287 119.881 120.200 -0.054 0.000 2.171 310 E HA -0.154 4.197 4.350 0.001 0.000 0.197 310 E C 1.718 178.244 176.600 -0.123 0.000 0.997 310 E CA 1.612 57.965 56.400 -0.078 0.000 0.810 310 E CB -0.133 29.528 29.700 -0.066 0.000 0.738 310 E HN 0.370 nan 8.360 nan 0.000 0.467 311 T N -3.368 111.057 114.554 -0.214 0.000 3.105 311 T HA 0.334 4.685 4.350 0.001 0.000 0.253 311 T C 1.289 175.951 174.700 -0.063 0.000 1.047 311 T CA 0.116 62.098 62.100 -0.197 0.000 0.944 311 T CB 0.697 69.319 68.868 -0.409 0.000 1.016 311 T HN 0.240 nan 8.240 nan 0.000 0.544 312 G N 1.510 110.301 108.800 -0.016 0.000 2.198 312 G HA2 -0.268 3.692 3.960 0.001 0.000 0.257 312 G HA3 -0.268 3.692 3.960 0.001 0.000 0.257 312 G C 0.428 175.372 174.900 0.073 0.000 1.042 312 G CA 0.465 45.586 45.100 0.035 0.000 0.791 312 G HN 0.583 nan 8.290 nan 0.000 0.502 313 Q N -1.783 118.081 119.800 0.107 0.000 2.280 313 Q HA 0.126 4.467 4.340 0.001 0.000 0.228 313 Q C 1.986 178.075 176.000 0.149 0.000 0.857 313 Q CA -0.299 55.583 55.803 0.132 0.000 0.939 313 Q CB 0.133 28.976 28.738 0.176 0.000 1.114 313 Q HN 0.686 nan 8.270 nan 0.000 0.514 314 W N 2.502 123.808 121.300 0.010 0.000 2.304 314 W HA -0.251 4.410 4.660 0.001 0.000 0.315 314 W C 0.270 176.772 176.519 -0.029 0.000 1.233 314 W CA 1.836 59.167 57.345 -0.024 0.000 1.261 314 W CB 0.151 29.581 29.460 -0.050 0.000 1.150 314 W HN 0.162 nan 8.180 nan 0.000 0.494 315 D N -0.268 120.194 120.400 0.104 0.000 2.355 315 D HA -0.081 4.559 4.640 0.001 0.000 0.218 315 D C 0.961 177.259 176.300 -0.003 0.000 1.004 315 D CA 0.907 54.921 54.000 0.023 0.000 0.880 315 D CB -0.404 40.454 40.800 0.097 0.000 0.911 315 D HN 0.176 nan 8.370 nan 0.000 0.528 316 D N -0.053 120.347 120.400 -0.000 0.000 2.339 316 D HA 0.024 4.665 4.640 0.001 0.000 0.217 316 D C -0.004 176.305 176.300 0.015 0.000 1.050 316 D CA 0.470 54.487 54.000 0.028 0.000 0.856 316 D CB 0.505 41.325 40.800 0.034 0.000 0.922 316 D HN -0.007 nan 8.370 nan 0.000 0.518 317 T N 1.141 115.613 114.554 -0.137 0.000 2.786 317 T HA 0.320 4.671 4.350 0.001 0.000 0.283 317 T C -0.214 174.230 174.700 -0.427 0.000 0.992 317 T CA -0.693 61.251 62.100 -0.259 0.000 0.954 317 T CB 2.062 70.753 68.868 -0.295 0.000 0.934 317 T HN -0.124 nan 8.240 nan 0.000 0.440 318 L N 5.578 126.424 121.223 -0.630 0.000 2.407 318 L HA 0.440 4.781 4.340 0.001 0.000 0.282 318 L C -0.687 175.822 176.870 -0.601 0.000 1.110 318 L CA 0.074 54.374 54.840 -0.900 0.000 0.863 318 L CB -0.495 40.456 42.059 -1.845 0.000 1.207 318 L HN 0.580 nan 8.230 nan 0.000 0.454 319 I N 6.552 126.819 120.570 -0.505 0.000 2.315 319 I HA 0.312 4.483 4.170 0.001 0.000 0.291 319 I C -0.229 175.723 176.117 -0.275 0.000 1.006 319 I CA -0.337 60.746 61.300 -0.361 0.000 1.265 319 I CB 1.027 38.788 38.000 -0.399 0.000 1.387 319 I HN 0.501 nan 8.210 nan 0.000 0.475 320 I N 6.500 126.941 120.570 -0.214 0.000 2.378 320 I HA 0.326 4.496 4.170 0.001 0.000 0.291 320 I C -0.798 175.265 176.117 -0.089 0.000 0.992 320 I CA -0.562 60.637 61.300 -0.169 0.000 1.154 320 I CB 1.736 39.613 38.000 -0.205 0.000 1.315 320 I HN 0.422 nan 8.210 nan 0.000 0.448 321 F N 6.277 126.097 119.950 -0.217 0.000 2.467 321 F HA 0.695 5.222 4.527 0.001 0.000 0.336 321 F C -0.232 175.400 175.800 -0.279 0.000 1.123 321 F CA 0.071 57.933 58.000 -0.230 0.000 0.964 321 F CB 1.589 40.463 39.000 -0.210 0.000 1.136 321 F HN 0.404 nan 8.300 nan 0.000 0.447 322 T N 3.317 117.307 114.554 -0.940 0.000 2.762 322 T HA 0.493 4.843 4.350 0.001 0.000 0.301 322 T C -1.663 172.572 174.700 -0.776 0.000 1.299 322 T CA -0.529 61.143 62.100 -0.713 0.000 1.005 322 T CB 1.701 70.351 68.868 -0.364 0.000 1.377 322 T HN 0.673 nan 8.240 nan 0.000 0.504 323 S N -0.118 115.296 115.700 -0.477 0.000 2.607 323 S HA 0.453 4.924 4.470 0.001 0.000 0.303 323 S C 0.716 175.178 174.600 -0.231 0.000 1.086 323 S CA -0.294 57.694 58.200 -0.354 0.000 0.995 323 S CB 1.367 64.420 63.200 -0.245 0.000 1.084 323 S HN 0.839 nan 8.310 nan 0.000 0.507 324 D N 1.525 121.769 120.400 -0.259 0.000 2.123 324 D HA 0.014 4.655 4.640 0.001 0.000 0.200 324 D C 0.575 176.820 176.300 -0.091 0.000 0.976 324 D CA 1.671 55.571 54.000 -0.166 0.000 0.831 324 D CB -0.392 40.332 40.800 -0.127 0.000 0.974 324 D HN 0.789 nan 8.370 nan 0.000 0.469 325 H N -3.547 115.503 119.070 -0.035 0.000 2.905 325 H HA 0.670 5.226 4.556 0.001 0.000 0.280 325 H C 0.384 175.679 175.328 -0.056 0.000 1.445 325 H CA -0.779 55.221 56.048 -0.080 0.000 1.165 325 H CB 0.988 30.675 29.762 -0.124 0.000 1.857 325 H HN 0.050 nan 8.280 nan 0.000 0.567 326 G N -1.036 107.836 108.800 0.121 0.000 2.714 326 G HA2 0.490 4.451 3.960 0.001 0.000 0.197 326 G HA3 0.490 4.451 3.960 0.001 0.000 0.197 326 G C -0.886 174.088 174.900 0.124 0.000 1.449 326 G CA -0.111 45.039 45.100 0.084 0.000 1.065 326 G HN 0.856 nan 8.290 nan 0.000 0.575 327 E N -2.436 117.759 120.200 -0.009 0.000 2.478 327 E HA 0.176 4.527 4.350 0.001 0.000 0.293 327 E C 0.430 176.933 176.600 -0.161 0.000 1.011 327 E CA -0.492 55.870 56.400 -0.063 0.000 0.834 327 E CB 0.896 30.580 29.700 -0.026 0.000 1.226 327 E HN 0.157 nan 8.360 nan 0.000 0.419 328 Q N 2.329 122.019 119.800 -0.184 0.000 2.119 328 Q HA 0.071 4.412 4.340 0.001 0.000 0.201 328 Q C 0.725 176.578 176.000 -0.245 0.000 0.972 328 Q CA 0.954 56.640 55.803 -0.195 0.000 0.847 328 Q CB -0.162 28.460 28.738 -0.193 0.000 0.903 328 Q HN 0.706 nan 8.270 nan 0.000 0.433 329 L N -0.146 120.891 121.223 -0.310 0.000 3.742 329 L HA -0.290 4.050 4.340 0.001 0.000 0.431 329 L C 0.771 177.469 176.870 -0.287 0.000 1.220 329 L CA 1.500 56.110 54.840 -0.383 0.000 0.863 329 L CB -1.390 40.307 42.059 -0.603 0.000 1.751 329 L HN 0.531 nan 8.230 nan 0.000 0.922 330 G N -2.302 106.352 108.800 -0.243 0.000 2.258 330 G HA2 -0.252 3.708 3.960 0.001 0.000 0.233 330 G HA3 -0.252 3.708 3.960 0.001 0.000 0.233 330 G C 0.138 174.911 174.900 -0.212 0.000 1.006 330 G CA 0.040 45.016 45.100 -0.208 0.000 0.620 330 G HN 0.514 nan 8.290 nan 0.000 0.511 331 D N 1.568 121.847 120.400 -0.201 0.000 2.450 331 D HA 0.388 5.028 4.640 0.001 0.000 0.247 331 D C 1.129 177.373 176.300 -0.093 0.000 1.162 331 D CA 0.423 54.296 54.000 -0.212 0.000 0.879 331 D CB -0.084 40.605 40.800 -0.186 0.000 1.163 331 D HN 0.462 nan 8.370 nan 0.000 0.472 332 H N 2.292 121.307 119.070 -0.091 0.000 2.820 332 H HA -0.219 4.338 4.556 0.001 0.000 0.295 332 H C 0.137 175.536 175.328 0.118 0.000 1.187 332 H CA 1.084 57.161 56.048 0.047 0.000 1.144 332 H CB -1.675 28.074 29.762 -0.022 0.000 1.354 332 H HN 0.786 nan 8.280 nan 0.000 0.395 333 H N -3.276 115.806 119.070 0.021 0.000 3.080 333 H HA -0.148 4.409 4.556 0.001 0.000 0.254 333 H C 0.247 175.556 175.328 -0.031 0.000 1.179 333 H CA 1.123 57.171 56.048 -0.000 0.000 1.144 333 H CB -1.030 28.754 29.762 0.036 0.000 1.261 333 H HN 0.374 nan 8.280 nan 0.000 0.333 334 L N 0.549 121.778 121.223 0.010 0.000 2.334 334 L HA 0.481 4.822 4.340 0.001 0.000 0.273 334 L C -0.179 176.566 176.870 -0.208 0.000 1.013 334 L CA -1.184 53.613 54.840 -0.072 0.000 0.816 334 L CB 1.360 43.369 42.059 -0.084 0.000 1.278 334 L HN -0.100 nan 8.230 nan 0.000 0.431 335 L N 1.537 122.556 121.223 -0.339 0.000 2.325 335 L HA 0.858 5.199 4.340 0.001 0.000 0.278 335 L C 0.569 177.125 176.870 -0.524 0.000 1.023 335 L CA 0.186 54.595 54.840 -0.718 0.000 0.811 335 L CB 0.953 42.134 42.059 -1.462 0.000 1.249 335 L HN 0.841 nan 8.230 nan 0.000 0.431 336 G N 2.516 111.130 108.800 -0.310 0.000 2.508 336 G HA2 -0.060 3.900 3.960 0.001 0.000 0.220 336 G HA3 -0.060 3.900 3.960 0.001 0.000 0.220 336 G C -0.861 173.969 174.900 -0.118 0.000 1.287 336 G CA -0.182 44.992 45.100 0.122 0.000 0.916 336 G HN 0.793 nan 8.290 nan 0.000 0.574 337 K N 0.294 120.569 120.400 -0.208 0.000 2.613 337 K HA 0.674 4.994 4.320 0.001 0.000 0.248 337 K C -0.528 175.755 176.600 -0.530 0.000 0.959 337 K CA -0.454 55.594 56.287 -0.397 0.000 0.855 337 K CB 1.842 34.051 32.500 -0.485 0.000 1.143 337 K HN 1.993 nan 8.250 nan 0.000 0.437 338 I N -2.213 117.934 120.570 -0.706 0.000 2.842 338 I HA 0.702 4.873 4.170 0.001 0.000 0.296 338 I C 0.125 175.639 176.117 -1.004 0.000 1.538 338 I CA 0.422 61.095 61.300 -1.046 0.000 0.994 338 I CB 1.076 38.380 38.000 -1.160 0.000 1.372 338 I HN 0.831 nan 8.210 nan 0.000 0.478 339 G N 3.948 112.018 108.800 -1.217 0.000 2.498 339 G HA2 -0.295 3.665 3.960 0.001 0.000 0.251 339 G HA3 -0.295 3.665 3.960 0.001 0.000 0.251 339 G C -0.246 174.616 174.900 -0.063 0.000 1.170 339 G CA 1.218 46.096 45.100 -0.370 0.000 0.944 339 G HN 1.874 nan 8.290 nan 0.000 0.567 340 Y N -0.372 119.977 120.300 0.081 0.000 2.499 340 Y HA 0.503 5.054 4.550 0.001 0.000 0.253 340 Y C 0.741 176.727 175.900 0.142 0.000 1.105 340 Y CA -0.285 57.894 58.100 0.131 0.000 1.240 340 Y CB -0.463 38.029 38.460 0.052 0.000 1.289 340 Y HN 0.443 nan 8.280 nan 0.000 0.534 341 N N 1.501 120.140 118.700 -0.102 0.000 2.492 341 N HA 0.284 5.025 4.740 0.001 0.000 0.262 341 N C 1.264 176.848 175.510 0.123 0.000 1.202 341 N CA 0.396 53.404 53.050 -0.068 0.000 0.926 341 N CB 1.246 39.568 38.487 -0.275 0.000 1.078 341 N HN 0.428 nan 8.380 nan 0.000 0.454 342 A N 2.762 125.642 122.820 0.099 0.000 1.958 342 A HA -0.268 4.052 4.320 0.001 0.000 0.221 342 A C 1.832 179.458 177.584 0.070 0.000 1.178 342 A CA 1.554 53.648 52.037 0.095 0.000 0.642 342 A CB -0.448 18.593 19.000 0.069 0.000 0.816 342 A HN 0.858 nan 8.150 nan 0.000 0.453 343 E N -0.101 120.123 120.200 0.039 0.000 2.409 343 E HA -0.071 4.280 4.350 0.001 0.000 0.198 343 E C 1.632 178.209 176.600 -0.038 0.000 1.024 343 E CA 1.182 57.586 56.400 0.007 0.000 0.861 343 E CB -0.607 29.081 29.700 -0.021 0.000 0.788 343 E HN 0.472 nan 8.360 nan 0.000 0.521 344 S N -0.463 115.195 115.700 -0.071 0.000 2.478 344 S HA 0.150 4.620 4.470 0.001 0.000 0.222 344 S C 1.011 175.365 174.600 -0.410 0.000 1.008 344 S CA 0.223 58.258 58.200 -0.276 0.000 0.928 344 S CB -0.077 62.841 63.200 -0.469 0.000 0.781 344 S HN 0.259 nan 8.310 nan 0.000 0.518 345 F N 0.623 120.434 119.950 -0.233 0.000 2.712 345 F HA 0.352 4.879 4.527 0.001 0.000 0.297 345 F C 0.959 176.598 175.800 -0.269 0.000 1.114 345 F CA -0.389 57.407 58.000 -0.340 0.000 1.305 345 F CB 0.329 38.831 39.000 -0.829 0.000 1.086 345 F HN -0.279 nan 8.300 nan 0.000 0.599 346 R N 2.521 123.018 120.500 -0.005 0.000 2.296 346 R HA 0.438 4.778 4.340 0.001 0.000 0.323 346 R C -0.549 175.791 176.300 0.066 0.000 1.067 346 R CA -0.109 56.005 56.100 0.023 0.000 0.946 346 R CB 0.196 30.530 30.300 0.057 0.000 0.991 346 R HN 0.246 nan 8.270 nan 0.000 0.448 347 I N 0.459 121.078 120.570 0.081 0.000 3.002 347 I HA 0.663 4.834 4.170 0.001 0.000 0.310 347 I C -2.635 173.567 176.117 0.141 0.000 1.087 347 I CA -3.459 57.897 61.300 0.094 0.000 1.017 347 I CB 2.345 40.372 38.000 0.045 0.000 1.226 347 I HN 0.297 nan 8.210 nan 0.000 0.443 348 P HA 0.437 nan 4.420 nan 0.000 0.277 348 P C -1.229 176.030 177.300 -0.068 0.000 1.240 348 P CA -0.342 62.763 63.100 0.008 0.000 0.798 348 P CB 1.138 32.794 31.700 -0.073 0.000 0.979 349 L N 2.804 123.983 121.223 -0.074 0.000 2.528 349 L HA 0.464 4.805 4.340 0.001 0.000 0.267 349 L C -1.643 175.235 176.870 0.015 0.000 0.961 349 L CA -0.511 54.197 54.840 -0.221 0.000 0.866 349 L CB 1.788 43.392 42.059 -0.759 0.000 1.248 349 L HN 0.057 nan 8.230 nan 0.000 0.404 350 V N 6.486 126.417 119.914 0.028 0.000 2.483 350 V HA 0.566 4.687 4.120 0.001 0.000 0.297 350 V C -0.271 175.813 176.094 -0.017 0.000 1.027 350 V CA -0.397 61.921 62.300 0.029 0.000 0.855 350 V CB 1.836 33.644 31.823 -0.026 0.000 0.995 350 V HN 0.602 nan 8.190 nan 0.000 0.424 351 I N 4.580 125.144 120.570 -0.011 0.000 2.418 351 I HA 0.497 4.667 4.170 0.001 0.000 0.287 351 I C -0.222 175.827 176.117 -0.113 0.000 1.008 351 I CA -0.586 60.665 61.300 -0.081 0.000 1.104 351 I CB 1.891 39.868 38.000 -0.038 0.000 1.264 351 I HN 0.503 nan 8.210 nan 0.000 0.438 352 K N 5.781 126.060 120.400 -0.201 0.000 2.367 352 K HA 0.224 4.544 4.320 0.001 0.000 0.263 352 K C -0.653 175.779 176.600 -0.281 0.000 1.000 352 K CA -0.559 55.596 56.287 -0.220 0.000 0.891 352 K CB 1.138 33.468 32.500 -0.283 0.000 1.117 352 K HN 0.503 nan 8.250 nan 0.000 0.443 353 D N 2.512 122.810 120.400 -0.171 0.000 2.363 353 D HA 0.125 4.765 4.640 0.001 0.000 0.240 353 D C -0.302 175.948 176.300 -0.083 0.000 1.236 353 D CA -0.002 53.931 54.000 -0.113 0.000 0.927 353 D CB 1.097 41.931 40.800 0.056 0.000 1.150 353 D HN 0.649 nan 8.370 nan 0.000 0.458 354 A N 0.202 123.083 122.820 0.102 0.000 2.425 354 A HA 0.554 4.875 4.320 0.001 0.000 0.242 354 A C 0.940 178.561 177.584 0.063 0.000 1.077 354 A CA 0.644 52.744 52.037 0.104 0.000 0.781 354 A CB -0.379 18.802 19.000 0.302 0.000 1.020 354 A HN 0.934 nan 8.150 nan 0.000 0.494 355 G N 0.352 109.171 108.800 0.032 0.000 2.632 355 G HA2 -0.062 3.899 3.960 0.001 0.000 0.224 355 G HA3 -0.062 3.899 3.960 0.001 0.000 0.224 355 G C -0.615 174.305 174.900 0.033 0.000 1.341 355 G CA -0.182 44.941 45.100 0.038 0.000 0.880 355 G HN 1.020 nan 8.290 nan 0.000 0.566 356 Q N 1.145 120.962 119.800 0.028 0.000 2.296 356 Q HA 0.280 4.620 4.340 0.001 0.000 0.257 356 Q C 0.288 176.292 176.000 0.007 0.000 0.942 356 Q CA -0.309 55.506 55.803 0.021 0.000 0.939 356 Q CB 0.704 29.451 28.738 0.016 0.000 1.198 356 Q HN 0.561 nan 8.270 nan 0.000 0.429 357 N N 2.142 120.845 118.700 0.005 0.000 2.442 357 N HA 0.026 4.767 4.740 0.001 0.000 0.265 357 N C 1.144 176.635 175.510 -0.031 0.000 1.138 357 N CA -0.127 52.923 53.050 0.000 0.000 0.956 357 N CB 1.165 39.656 38.487 0.007 0.000 1.067 357 N HN 0.467 nan 8.380 nan 0.000 0.474 358 R N 2.438 122.889 120.500 -0.081 0.000 2.200 358 R HA -0.141 4.200 4.340 0.001 0.000 0.234 358 R C 0.237 176.345 176.300 -0.320 0.000 1.127 358 R CA 1.369 57.344 56.100 -0.209 0.000 0.989 358 R CB 0.031 30.160 30.300 -0.285 0.000 0.869 358 R HN 0.654 nan 8.270 nan 0.000 0.459 359 H N -0.337 118.723 119.070 -0.017 0.000 2.486 359 H HA 0.278 4.834 4.556 0.001 0.000 0.284 359 H C -0.114 175.191 175.328 -0.038 0.000 1.103 359 H CA 0.150 56.180 56.048 -0.030 0.000 1.089 359 H CB 0.459 30.196 29.762 -0.041 0.000 1.603 359 H HN 0.238 nan 8.280 nan 0.000 0.557 360 A N 0.530 123.376 122.820 0.044 0.000 2.584 360 A HA 0.294 4.615 4.320 0.001 0.000 0.239 360 A C 1.634 179.228 177.584 0.017 0.000 1.043 360 A CA 1.177 53.222 52.037 0.014 0.000 0.756 360 A CB -0.339 18.663 19.000 0.004 0.000 0.963 360 A HN 0.673 nan 8.150 nan 0.000 0.511 361 G N 1.370 110.161 108.800 -0.015 0.000 2.234 361 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 361 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 361 G C 0.336 175.309 174.900 0.122 0.000 0.987 361 G CA 0.760 45.882 45.100 0.036 0.000 0.625 361 G HN 1.000 nan 8.290 nan 0.000 0.532 362 Q N -0.399 119.430 119.800 0.049 0.000 2.382 362 Q HA 0.669 5.010 4.340 0.001 0.000 0.229 362 Q C 0.155 176.137 176.000 -0.030 0.000 1.006 362 Q CA -0.020 55.797 55.803 0.023 0.000 0.916 362 Q CB 1.154 29.894 28.738 0.004 0.000 1.235 362 Q HN 0.454 nan 8.270 nan 0.000 0.512 363 I N 1.468 122.001 120.570 -0.062 0.000 2.410 363 I HA 0.185 4.356 4.170 0.001 0.000 0.286 363 I C -0.583 175.411 176.117 -0.206 0.000 1.009 363 I CA -0.672 60.563 61.300 -0.110 0.000 1.111 363 I CB 1.750 39.729 38.000 -0.036 0.000 1.262 363 I HN 0.534 nan 8.210 nan 0.000 0.443 364 E N 4.776 124.748 120.200 -0.380 0.000 2.197 364 E HA 0.210 4.560 4.350 0.001 0.000 0.281 364 E C 0.142 176.566 176.600 -0.292 0.000 0.995 364 E CA -0.049 56.086 56.400 -0.441 0.000 0.808 364 E CB 1.538 30.700 29.700 -0.897 0.000 1.093 364 E HN 0.494 nan 8.360 nan 0.000 0.394 365 E N 2.225 122.317 120.200 -0.181 0.000 2.307 365 E HA 0.242 4.592 4.350 0.001 0.000 0.195 365 E C 0.412 176.915 176.600 -0.162 0.000 0.975 365 E CA 0.438 56.760 56.400 -0.131 0.000 0.878 365 E CB 0.174 29.802 29.700 -0.120 0.000 0.845 365 E HN 0.671 nan 8.360 nan 0.000 0.488 366 G N 0.422 109.160 108.800 -0.103 0.000 2.474 366 G HA2 -0.017 3.944 3.960 0.001 0.000 0.233 366 G HA3 -0.017 3.944 3.960 0.001 0.000 0.233 366 G C -0.605 174.387 174.900 0.152 0.000 1.278 366 G CA -0.322 44.776 45.100 -0.003 0.000 0.861 366 G HN 0.033 nan 8.290 nan 0.000 0.567 367 F N 1.705 121.895 119.950 0.401 0.000 2.438 367 F HA 0.340 4.868 4.527 0.001 0.000 0.360 367 F C 1.249 177.348 175.800 0.498 0.000 1.118 367 F CA -0.771 57.443 58.000 0.356 0.000 1.164 367 F CB 0.638 39.798 39.000 0.267 0.000 1.131 367 F HN 0.456 nan 8.300 nan 0.000 0.527 368 S N 2.382 118.412 115.700 0.550 0.000 2.664 368 S HA 0.816 5.287 4.470 0.001 0.000 0.304 368 S C -0.739 174.038 174.600 0.295 0.000 1.099 368 S CA -0.989 57.491 58.200 0.467 0.000 1.003 368 S CB 2.442 65.761 63.200 0.199 0.000 1.092 368 S HN 0.579 nan 8.310 nan 0.000 0.525 369 E N 0.112 120.436 120.200 0.206 0.000 2.367 369 E HA 0.366 4.717 4.350 0.001 0.000 0.273 369 E C 0.408 177.023 176.600 0.025 0.000 0.903 369 E CA -0.664 55.726 56.400 -0.018 0.000 0.764 369 E CB 2.076 31.835 29.700 0.097 0.000 1.252 369 E HN 0.714 nan 8.360 nan 0.000 0.446 370 S N 1.382 117.023 115.700 -0.098 0.000 2.402 370 S HA -0.229 4.242 4.470 0.001 0.000 0.233 370 S C 1.930 176.561 174.600 0.052 0.000 1.030 370 S CA 1.517 59.748 58.200 0.051 0.000 1.003 370 S CB -0.792 62.424 63.200 0.026 0.000 0.813 370 S HN 0.665 nan 8.310 nan 0.000 0.477 371 I N -0.244 120.324 120.570 -0.004 0.000 2.700 371 I HA -0.077 4.094 4.170 0.001 0.000 0.261 371 I C 1.081 177.198 176.117 0.001 0.000 1.219 371 I CA 1.414 62.683 61.300 -0.052 0.000 1.463 371 I CB -0.488 37.368 38.000 -0.240 0.000 1.092 371 I HN -0.022 nan 8.210 nan 0.000 0.452 372 D N 1.456 121.893 120.400 0.063 0.000 2.234 372 D HA -0.046 4.595 4.640 0.001 0.000 0.205 372 D C 2.524 178.866 176.300 0.071 0.000 0.962 372 D CA 0.935 55.003 54.000 0.114 0.000 0.855 372 D CB -0.092 40.835 40.800 0.212 0.000 0.951 372 D HN 0.341 nan 8.370 nan 0.000 0.500 373 V N 1.601 121.537 119.914 0.037 0.000 2.287 373 V HA -0.293 3.828 4.120 0.001 0.000 0.248 373 V C 2.549 178.658 176.094 0.026 0.000 1.053 373 V CA 1.854 64.153 62.300 -0.001 0.000 1.027 373 V CB -0.529 31.286 31.823 -0.013 0.000 0.646 373 V HN 0.220 nan 8.190 nan 0.000 0.447 374 M N 0.507 120.131 119.600 0.040 0.000 2.086 374 M HA -0.093 4.387 4.480 0.001 0.000 0.261 374 M C -0.374 175.952 176.300 0.043 0.000 1.067 374 M CA 2.308 57.634 55.300 0.044 0.000 1.116 374 M CB -1.093 31.531 32.600 0.041 0.000 1.348 374 M HN 0.218 nan 8.290 nan 0.000 0.407 375 P HA -0.093 nan 4.420 nan 0.000 0.218 375 P C 1.148 178.499 177.300 0.085 0.000 1.148 375 P CA 1.699 64.838 63.100 0.065 0.000 0.822 375 P CB -0.254 31.495 31.700 0.082 0.000 0.784 376 T N -0.532 114.073 114.554 0.085 0.000 2.708 376 T HA -0.103 4.248 4.350 0.001 0.000 0.266 376 T C 1.782 176.545 174.700 0.105 0.000 1.037 376 T CA 1.121 63.276 62.100 0.093 0.000 1.146 376 T CB -0.889 68.003 68.868 0.041 0.000 0.865 376 T HN 0.061 nan 8.240 nan 0.000 0.435 377 I N 0.627 121.239 120.570 0.070 0.000 2.179 377 I HA -0.144 4.026 4.170 0.001 0.000 0.242 377 I C 2.268 178.454 176.117 0.115 0.000 1.088 377 I CA 1.247 62.600 61.300 0.089 0.000 1.357 377 I CB -0.347 37.708 38.000 0.092 0.000 1.051 377 I HN 0.183 nan 8.210 nan 0.000 0.409 378 L N -0.042 121.219 121.223 0.064 0.000 2.027 378 L HA -0.195 4.146 4.340 0.001 0.000 0.206 378 L C 2.558 179.463 176.870 0.058 0.000 1.074 378 L CA 1.370 56.228 54.840 0.031 0.000 0.745 378 L CB -0.599 41.466 42.059 0.009 0.000 0.898 378 L HN 0.232 nan 8.230 nan 0.000 0.433 379 E N -0.672 119.578 120.200 0.084 0.000 2.058 379 E HA -0.293 4.057 4.350 0.001 0.000 0.194 379 E C 1.964 178.628 176.600 0.107 0.000 0.997 379 E CA 1.710 58.161 56.400 0.084 0.000 0.801 379 E CB -0.217 29.543 29.700 0.100 0.000 0.746 379 E HN 0.492 nan 8.360 nan 0.000 0.450 380 W N 1.034 122.320 121.300 -0.024 0.000 2.374 380 W HA -0.120 4.540 4.660 0.001 0.000 0.288 380 W C 1.602 178.085 176.519 -0.060 0.000 1.218 380 W CA 1.058 58.381 57.345 -0.037 0.000 1.245 380 W CB -0.009 29.425 29.460 -0.044 0.000 1.126 380 W HN 0.000 nan 8.180 nan 0.000 0.545 381 L N 0.179 121.460 121.223 0.098 0.000 2.599 381 L HA 0.207 4.548 4.340 0.001 0.000 0.230 381 L C 1.832 178.662 176.870 -0.068 0.000 1.141 381 L CA 0.838 55.641 54.840 -0.063 0.000 0.877 381 L CB -0.811 41.152 42.059 -0.160 0.000 1.009 381 L HN 0.309 nan 8.230 nan 0.000 0.447 382 G N -0.758 108.002 108.800 -0.067 0.000 2.179 382 G HA2 -0.192 3.769 3.960 0.001 0.000 0.220 382 G HA3 -0.192 3.769 3.960 0.001 0.000 0.220 382 G C 0.468 175.359 174.900 -0.016 0.000 0.990 382 G CA -0.286 44.783 45.100 -0.051 0.000 0.646 382 G HN 0.491 nan 8.290 nan 0.000 0.517 383 G N -0.701 108.098 108.800 -0.002 0.000 2.531 383 G HA2 0.595 4.556 3.960 0.001 0.000 0.313 383 G HA3 0.595 4.556 3.960 0.001 0.000 0.313 383 G C -0.411 174.491 174.900 0.004 0.000 1.238 383 G CA -0.391 44.711 45.100 0.003 0.000 0.994 383 G HN 0.144 nan 8.290 nan 0.000 0.493 384 E N -0.149 120.051 120.200 0.000 0.000 2.277 384 E HA 0.314 4.665 4.350 0.001 0.000 0.274 384 E C 0.001 176.601 176.600 -0.000 0.000 1.022 384 E CA -0.256 56.143 56.400 -0.003 0.000 0.853 384 E CB 1.316 31.007 29.700 -0.015 0.000 1.086 384 E HN 0.243 nan 8.360 nan 0.000 0.397 385 T N 4.296 118.852 114.554 0.004 0.000 2.834 385 T HA 0.219 4.570 4.350 0.001 0.000 0.298 385 T C -2.094 172.598 174.700 -0.015 0.000 0.966 385 T CA -0.978 61.126 62.100 0.008 0.000 1.141 385 T CB 0.316 69.199 68.868 0.025 0.000 0.905 385 T HN 0.132 nan 8.240 nan 0.000 0.535 386 P HA 0.201 nan 4.420 nan 0.000 0.267 386 P C 0.774 178.049 177.300 -0.041 0.000 1.200 386 P CA -0.425 62.663 63.100 -0.020 0.000 0.772 386 P CB 0.644 32.346 31.700 0.004 0.000 0.855 387 R N 2.670 123.116 120.500 -0.088 0.000 2.096 387 R HA -0.133 4.208 4.340 0.001 0.000 0.235 387 R C 1.983 178.258 176.300 -0.041 0.000 1.127 387 R CA 2.032 58.048 56.100 -0.139 0.000 0.968 387 R CB -1.147 28.955 30.300 -0.330 0.000 0.861 387 R HN 0.592 nan 8.270 nan 0.000 0.440 388 A N -0.489 122.340 122.820 0.015 0.000 2.067 388 A HA -0.022 4.298 4.320 0.001 0.000 0.219 388 A C 0.795 178.412 177.584 0.056 0.000 1.158 388 A CA 0.611 52.684 52.037 0.060 0.000 0.661 388 A CB -0.576 18.485 19.000 0.101 0.000 0.801 388 A HN 0.388 nan 8.150 nan 0.000 0.452 389 C N 1.392 120.714 119.300 0.035 0.000 2.611 389 C HA 0.051 4.511 4.460 0.001 0.000 0.416 389 C C 1.358 176.370 174.990 0.036 0.000 1.366 389 C CA -0.172 58.861 59.018 0.026 0.000 1.761 389 C CB -0.397 27.354 27.740 0.017 0.000 2.619 389 C HN 0.568 nan 8.230 nan 0.000 0.606 390 D N 1.599 122.002 120.400 0.006 0.000 2.194 390 D HA 0.019 4.659 4.640 0.001 0.000 0.204 390 D C 1.332 177.625 176.300 -0.011 0.000 0.964 390 D CA 0.825 54.851 54.000 0.043 0.000 0.846 390 D CB -0.044 40.630 40.800 -0.210 0.000 0.962 390 D HN 0.774 nan 8.370 nan 0.000 0.490 391 G N 0.359 109.107 108.800 -0.088 0.000 2.572 391 G HA2 0.397 4.357 3.960 0.001 0.000 0.261 391 G HA3 0.397 4.357 3.960 0.001 0.000 0.261 391 G C -0.008 174.918 174.900 0.042 0.000 1.197 391 G CA -0.427 44.649 45.100 -0.041 0.000 0.870 391 G HN -0.012 nan 8.290 nan 0.000 0.548 392 R N -0.170 120.389 120.500 0.098 0.000 2.750 392 R HA 0.428 4.769 4.340 0.001 0.000 0.281 392 R C -0.439 176.071 176.300 0.350 0.000 0.972 392 R CA -0.731 55.486 56.100 0.195 0.000 0.912 392 R CB 1.930 32.337 30.300 0.178 0.000 1.187 392 R HN 0.553 nan 8.270 nan 0.000 0.464 393 S N 1.576 117.451 115.700 0.292 0.000 2.537 393 S HA 0.070 4.541 4.470 0.001 0.000 0.286 393 S C 1.192 175.999 174.600 0.345 0.000 1.299 393 S CA -0.419 57.934 58.200 0.254 0.000 1.067 393 S CB 0.301 63.611 63.200 0.183 0.000 0.864 393 S HN 0.538 nan 8.310 nan 0.000 0.494 394 L N 5.636 127.021 121.223 0.271 0.000 2.627 394 L HA 0.095 4.436 4.340 0.001 0.000 0.233 394 L C 1.765 178.806 176.870 0.285 0.000 1.144 394 L CA 0.083 55.101 54.840 0.297 0.000 0.892 394 L CB -0.358 41.742 42.059 0.069 0.000 1.039 394 L HN 0.717 nan 8.230 nan 0.000 0.442 395 L N 0.350 121.692 121.223 0.198 0.000 2.131 395 L HA -0.120 4.221 4.340 0.001 0.000 0.210 395 L C -0.165 176.779 176.870 0.124 0.000 1.092 395 L CA 1.124 56.069 54.840 0.176 0.000 0.759 395 L CB -1.458 40.708 42.059 0.179 0.000 0.903 395 L HN 0.275 nan 8.230 nan 0.000 0.435 396 P HA -0.166 nan 4.420 nan 0.000 0.218 396 P C 1.418 178.627 177.300 -0.152 0.000 1.148 396 P CA 1.367 64.413 63.100 -0.091 0.000 0.822 396 P CB -0.022 31.551 31.700 -0.211 0.000 0.784 397 F N -0.758 119.134 119.950 -0.097 0.000 2.171 397 F HA -0.104 4.424 4.527 0.001 0.000 0.300 397 F C 2.137 177.872 175.800 -0.108 0.000 1.090 397 F CA 1.106 59.015 58.000 -0.152 0.000 1.293 397 F CB -1.059 37.888 39.000 -0.090 0.000 1.013 397 F HN -0.179 nan 8.300 nan 0.000 0.486 398 L N -1.293 120.059 121.223 0.216 0.000 2.395 398 L HA -0.010 4.331 4.340 0.001 0.000 0.218 398 L C 1.983 179.022 176.870 0.282 0.000 1.130 398 L CA 0.499 55.496 54.840 0.261 0.000 0.826 398 L CB -1.101 41.078 42.059 0.200 0.000 0.941 398 L HN 0.146 nan 8.230 nan 0.000 0.451 399 A N 0.126 123.056 122.820 0.184 0.000 3.802 399 A HA 0.082 4.403 4.320 0.001 0.000 0.184 399 A C 1.880 179.576 177.584 0.187 0.000 1.893 399 A CA -0.014 52.107 52.037 0.140 0.000 1.357 399 A CB -0.237 18.800 19.000 0.061 0.000 1.178 399 A HN 0.079 nan 8.150 nan 0.000 0.371 400 E N -0.268 119.971 120.200 0.065 0.000 2.107 400 E HA 0.249 4.599 4.350 0.001 0.000 0.191 400 E C 1.004 177.612 176.600 0.013 0.000 0.982 400 E CA 1.162 57.590 56.400 0.046 0.000 0.809 400 E CB -0.148 29.546 29.700 -0.009 0.000 0.756 400 E HN 0.837 nan 8.360 nan 0.000 0.459 401 G N 0.512 109.241 108.800 -0.119 0.000 2.302 401 G HA2 -0.104 3.857 3.960 0.001 0.000 0.264 401 G HA3 -0.104 3.857 3.960 0.001 0.000 0.264 401 G C -1.202 173.349 174.900 -0.581 0.000 1.335 401 G CA -0.494 44.445 45.100 -0.268 0.000 0.982 401 G HN 0.047 nan 8.290 nan 0.000 0.473 402 K N 1.480 121.510 120.400 -0.616 0.000 2.453 402 K HA 0.348 4.668 4.320 0.001 0.000 0.280 402 K C -1.920 174.399 176.600 -0.468 0.000 1.045 402 K CA -0.519 55.251 56.287 -0.862 0.000 1.059 402 K CB 0.136 32.476 32.500 -0.267 0.000 0.901 402 K HN 0.190 nan 8.250 nan 0.000 0.475 403 P HA -0.045 nan 4.420 nan 0.000 0.270 403 P C 0.070 177.403 177.300 0.055 0.000 1.223 403 P CA -0.171 62.871 63.100 -0.097 0.000 0.785 403 P CB 0.890 32.635 31.700 0.075 0.000 0.923 404 S N -0.222 115.512 115.700 0.058 0.000 2.515 404 S HA -0.118 4.353 4.470 0.001 0.000 0.231 404 S C 0.921 175.595 174.600 0.124 0.000 0.987 404 S CA 0.976 59.222 58.200 0.076 0.000 0.936 404 S CB -0.627 62.601 63.200 0.046 0.000 0.766 404 S HN 0.606 nan 8.310 nan 0.000 0.528 405 D N -0.825 119.673 120.400 0.162 0.000 2.462 405 D HA 0.032 4.673 4.640 0.001 0.000 0.221 405 D C 0.068 176.514 176.300 0.243 0.000 1.173 405 D CA -0.797 53.304 54.000 0.168 0.000 0.831 405 D CB -0.727 40.143 40.800 0.116 0.000 1.001 405 D HN 0.521 nan 8.370 nan 0.000 0.499 406 W N 3.338 124.697 121.300 0.098 0.000 2.187 406 W HA 0.034 4.695 4.660 0.001 0.000 0.348 406 W C 0.919 177.567 176.519 0.215 0.000 1.282 406 W CA -0.326 57.121 57.345 0.170 0.000 1.271 406 W CB 0.759 30.336 29.460 0.195 0.000 1.170 406 W HN -0.020 nan 8.180 nan 0.000 0.583 407 R N 1.231 121.586 120.500 -0.242 0.000 2.697 407 R HA -0.006 4.334 4.340 0.001 0.000 0.265 407 R C 0.817 177.289 176.300 0.286 0.000 1.009 407 R CA 1.036 57.148 56.100 0.021 0.000 1.099 407 R CB 0.017 30.306 30.300 -0.018 0.000 0.965 407 R HN 0.484 nan 8.270 nan 0.000 0.428 408 T N -1.915 112.799 114.554 0.267 0.000 3.054 408 T HA 0.200 4.551 4.350 0.001 0.000 0.255 408 T C -0.378 174.527 174.700 0.342 0.000 1.035 408 T CA -0.307 61.998 62.100 0.343 0.000 0.941 408 T CB 0.145 69.147 68.868 0.224 0.000 1.026 408 T HN 0.725 nan 8.240 nan 0.000 0.533 409 E N 0.213 120.452 120.200 0.066 0.000 2.429 409 E HA 0.715 5.066 4.350 0.001 0.000 0.276 409 E C -1.391 174.738 176.600 -0.785 0.000 0.953 409 E CA -0.815 55.334 56.400 -0.418 0.000 0.787 409 E CB 1.790 31.241 29.700 -0.414 0.000 1.307 409 E HN 0.115 nan 8.360 nan 0.000 0.458 410 L N 1.337 121.976 121.223 -0.974 0.000 2.343 410 L HA 0.554 4.895 4.340 0.001 0.000 0.275 410 L C -0.679 175.686 176.870 -0.842 0.000 1.056 410 L CA -0.596 53.841 54.840 -0.671 0.000 0.804 410 L CB 0.802 42.616 42.059 -0.408 0.000 1.203 410 L HN 0.529 nan 8.230 nan 0.000 0.440 411 H N 1.327 120.243 119.070 -0.257 0.000 2.679 411 H HA 0.613 5.170 4.556 0.001 0.000 0.360 411 H C -1.400 173.846 175.328 -0.138 0.000 1.105 411 H CA -0.601 55.119 56.048 -0.546 0.000 1.196 411 H CB 1.589 30.777 29.762 -0.957 0.000 1.636 411 H HN 0.439 nan 8.280 nan 0.000 0.531 412 Y N -1.270 118.873 120.300 -0.262 0.000 2.638 412 Y HA 0.652 5.203 4.550 0.001 0.000 0.335 412 Y C -1.142 174.708 175.900 -0.083 0.000 1.155 412 Y CA -1.252 56.773 58.100 -0.124 0.000 1.046 412 Y CB 1.630 39.900 38.460 -0.317 0.000 1.303 412 Y HN 0.475 nan 8.280 nan 0.000 0.460 413 E N 1.204 121.599 120.200 0.325 0.000 2.393 413 E HA 0.637 4.987 4.350 0.001 0.000 0.273 413 E C -2.196 174.737 176.600 0.554 0.000 0.918 413 E CA -1.023 55.555 56.400 0.298 0.000 0.773 413 E CB 3.556 33.398 29.700 0.236 0.000 1.275 413 E HN 0.596 nan 8.360 nan 0.000 0.451 414 F N 1.259 121.354 119.950 0.242 0.000 2.596 414 F HA 0.297 4.824 4.527 0.001 0.000 0.311 414 F C -1.735 174.202 175.800 0.229 0.000 1.116 414 F CA -0.665 57.515 58.000 0.300 0.000 0.957 414 F CB 1.770 41.012 39.000 0.404 0.000 1.250 414 F HN 0.339 nan 8.300 nan 0.000 0.444 415 D N 5.270 125.340 120.400 -0.550 0.000 2.629 415 D HA 0.277 4.918 4.640 0.001 0.000 0.250 415 D C -0.776 175.053 176.300 -0.786 0.000 1.126 415 D CA -0.340 53.334 54.000 -0.543 0.000 0.852 415 D CB 1.521 42.143 40.800 -0.296 0.000 1.335 415 D HN 0.491 nan 8.370 nan 0.000 0.518 416 F N 2.051 121.709 119.950 -0.486 0.000 2.850 416 F HA 0.338 4.866 4.527 0.001 0.000 0.329 416 F C 0.834 176.541 175.800 -0.155 0.000 1.182 416 F CA -1.099 56.716 58.000 -0.308 0.000 1.270 416 F CB -0.155 38.824 39.000 -0.035 0.000 0.979 416 F HN 0.078 nan 8.300 nan 0.000 0.506 417 R N -0.017 120.322 120.500 -0.268 0.000 2.827 417 R HA 0.128 4.469 4.340 0.001 0.000 0.269 417 R C -0.759 175.479 176.300 -0.104 0.000 1.048 417 R CA -0.430 55.566 56.100 -0.172 0.000 1.173 417 R CB 0.271 30.466 30.300 -0.175 0.000 1.070 417 R HN 0.065 nan 8.270 nan 0.000 0.498 418 D N 1.008 121.352 120.400 -0.092 0.000 2.424 418 D HA 0.163 4.804 4.640 0.001 0.000 0.244 418 D C 0.167 176.395 176.300 -0.120 0.000 1.134 418 D CA 0.009 53.950 54.000 -0.098 0.000 0.881 418 D CB 1.333 42.090 40.800 -0.071 0.000 1.191 418 D HN 0.466 nan 8.370 nan 0.000 0.445 419 V N -0.170 119.619 119.914 -0.210 0.000 3.155 419 V HA 0.454 4.574 4.120 0.001 0.000 0.313 419 V C 1.012 176.925 176.094 -0.302 0.000 1.162 419 V CA -0.923 61.203 62.300 -0.289 0.000 1.048 419 V CB 1.295 32.799 31.823 -0.532 0.000 1.092 419 V HN 0.437 nan 8.190 nan 0.000 0.447 420 F N 0.429 120.269 119.950 -0.183 0.000 2.333 420 F HA -0.017 4.511 4.527 0.001 0.000 0.300 420 F C 1.530 177.359 175.800 0.049 0.000 1.083 420 F CA 1.510 59.494 58.000 -0.026 0.000 1.395 420 F CB -1.032 38.009 39.000 0.068 0.000 1.056 420 F HN 0.654 nan 8.300 nan 0.000 0.529 421 Y N -1.278 118.778 120.300 -0.405 0.000 2.481 421 Y HA 0.509 5.060 4.550 0.001 0.000 0.247 421 Y C -0.835 175.028 175.900 -0.061 0.000 1.151 421 Y CA -1.245 56.727 58.100 -0.213 0.000 1.238 421 Y CB -0.242 37.971 38.460 -0.412 0.000 1.179 421 Y HN 0.059 nan 8.280 nan 0.000 0.524 422 D N 0.356 120.607 120.400 -0.248 0.000 2.937 422 D HA 0.306 4.947 4.640 0.001 0.000 0.215 422 D C -1.570 174.678 176.300 -0.087 0.000 1.274 422 D CA -0.299 53.680 54.000 -0.035 0.000 0.869 422 D CB 1.669 42.560 40.800 0.152 0.000 1.675 422 D HN 0.100 nan 8.370 nan 0.000 0.538 423 Q N 3.155 122.913 119.800 -0.070 0.000 2.851 423 Q HA 0.325 4.665 4.340 0.001 0.000 0.331 423 Q C -1.987 173.832 176.000 -0.301 0.000 0.979 423 Q CA -1.402 54.322 55.803 -0.132 0.000 0.955 423 Q CB 1.533 30.227 28.738 -0.073 0.000 1.298 423 Q HN 0.232 nan 8.270 nan 0.000 0.432 424 P HA -0.274 nan 4.420 nan 0.000 0.217 424 P C 0.822 177.898 177.300 -0.373 0.000 1.151 424 P CA 1.509 64.114 63.100 -0.824 0.000 0.849 424 P CB 0.343 31.836 31.700 -0.345 0.000 0.787 425 Q N -1.269 118.441 119.800 -0.149 0.000 2.248 425 Q HA -0.200 4.140 4.340 0.001 0.000 0.208 425 Q C 1.911 177.874 176.000 -0.061 0.000 0.984 425 Q CA 1.094 56.861 55.803 -0.059 0.000 0.875 425 Q CB -0.569 28.144 28.738 -0.042 0.000 0.910 425 Q HN 0.422 nan 8.270 nan 0.000 0.433 426 N N -0.179 118.470 118.700 -0.085 0.000 2.142 426 N HA -0.081 4.660 4.740 0.001 0.000 0.186 426 N C 1.790 177.290 175.510 -0.015 0.000 1.023 426 N CA 1.336 54.365 53.050 -0.034 0.000 0.852 426 N CB -0.037 38.443 38.487 -0.011 0.000 0.998 426 N HN 0.129 nan 8.380 nan 0.000 0.424 427 S N 0.455 116.127 115.700 -0.047 0.000 2.355 427 S HA -0.026 4.444 4.470 0.001 0.000 0.222 427 S C 2.131 176.722 174.600 -0.015 0.000 1.031 427 S CA 0.752 58.957 58.200 0.009 0.000 0.993 427 S CB -0.116 63.111 63.200 0.045 0.000 0.859 427 S HN 0.081 nan 8.310 nan 0.000 0.453 428 V N 0.999 120.888 119.914 -0.041 0.000 3.354 428 V HA 0.092 4.212 4.120 0.001 0.000 0.258 428 V C 0.277 176.380 176.094 0.015 0.000 1.159 428 V CA 0.275 62.573 62.300 -0.004 0.000 1.125 428 V CB -0.640 31.215 31.823 0.053 0.000 0.774 428 V HN 0.416 nan 8.190 nan 0.000 0.464 429 Q N 0.140 119.945 119.800 0.007 0.000 2.452 429 Q HA -0.199 4.142 4.340 0.001 0.000 0.318 429 Q C -0.652 175.360 176.000 0.021 0.000 1.386 429 Q CA 0.794 56.602 55.803 0.009 0.000 0.872 429 Q CB -1.553 27.187 28.738 0.004 0.000 1.151 429 Q HN 0.524 nan 8.270 nan 0.000 0.417 430 L N -0.589 120.654 121.223 0.032 0.000 2.333 430 L HA 0.584 4.924 4.340 0.001 0.000 0.263 430 L C 0.762 177.636 176.870 0.006 0.000 1.014 430 L CA -0.801 54.059 54.840 0.033 0.000 0.820 430 L CB 1.922 44.025 42.059 0.073 0.000 1.352 430 L HN 0.215 nan 8.230 nan 0.000 0.421 431 S N -0.516 115.180 115.700 -0.007 0.000 2.652 431 S HA 0.140 4.610 4.470 0.001 0.000 0.270 431 S C 0.757 175.325 174.600 -0.054 0.000 1.243 431 S CA -0.359 57.825 58.200 -0.025 0.000 0.999 431 S CB 1.361 64.549 63.200 -0.020 0.000 0.973 431 S HN 0.786 nan 8.310 nan 0.000 0.544 432 Q N 0.487 120.248 119.800 -0.066 0.000 2.181 432 Q HA -0.198 4.143 4.340 0.001 0.000 0.205 432 Q C 0.316 176.240 176.000 -0.127 0.000 0.980 432 Q CA 1.843 57.585 55.803 -0.102 0.000 0.862 432 Q CB -0.600 28.089 28.738 -0.081 0.000 0.905 432 Q HN 0.732 nan 8.270 nan 0.000 0.429 433 D N 0.823 121.171 120.400 -0.087 0.000 2.363 433 D HA -0.040 4.601 4.640 0.001 0.000 0.226 433 D C 0.201 176.450 176.300 -0.085 0.000 1.020 433 D CA 0.554 54.506 54.000 -0.081 0.000 0.892 433 D CB 0.157 40.927 40.800 -0.049 0.000 0.900 433 D HN 0.344 nan 8.370 nan 0.000 0.531 434 D N -0.795 119.549 120.400 -0.093 0.000 2.431 434 D HA 0.070 4.711 4.640 0.001 0.000 0.213 434 D C -0.059 176.165 176.300 -0.127 0.000 1.130 434 D CA -0.077 53.886 54.000 -0.062 0.000 0.834 434 D CB 0.210 41.006 40.800 -0.006 0.000 0.985 434 D HN 0.056 nan 8.370 nan 0.000 0.504 435 C N 2.262 121.354 119.300 -0.346 0.000 2.560 435 C HA 0.544 5.005 4.460 0.001 0.000 0.506 435 C C 0.674 174.896 174.990 -1.279 0.000 1.116 435 C CA -0.613 57.824 59.018 -0.968 0.000 1.425 435 C CB -1.954 25.193 27.740 -0.989 0.000 1.543 435 C HN 0.196 nan 8.230 nan 0.000 0.586 436 S N 1.351 116.696 115.700 -0.592 0.000 2.638 436 S HA 0.927 5.398 4.470 0.001 0.000 0.274 436 S C -1.153 173.458 174.600 0.018 0.000 1.157 436 S CA -0.796 57.236 58.200 -0.281 0.000 0.826 436 S CB 1.624 64.718 63.200 -0.177 0.000 1.139 436 S HN 0.595 nan 8.310 nan 0.000 0.474 437 L N -1.508 119.708 121.223 -0.012 0.000 2.465 437 L HA 1.002 5.343 4.340 0.001 0.000 0.257 437 L C -0.665 176.154 176.870 -0.086 0.000 0.988 437 L CA -0.801 53.916 54.840 -0.205 0.000 0.827 437 L CB 1.254 42.884 42.059 -0.715 0.000 1.397 437 L HN 1.249 nan 8.230 nan 0.000 0.410 438 C N -0.334 118.894 119.300 -0.120 0.000 2.971 438 C HA 0.992 5.453 4.460 0.001 0.000 0.310 438 C C -0.390 174.413 174.990 -0.312 0.000 1.285 438 C CA -0.910 58.031 59.018 -0.129 0.000 1.593 438 C CB 1.250 29.019 27.740 0.048 0.000 2.076 438 C HN 0.807 nan 8.230 nan 0.000 0.472 439 V N 2.378 121.979 119.914 -0.521 0.000 2.735 439 V HA 0.633 4.754 4.120 0.001 0.000 0.310 439 V C -0.661 175.022 176.094 -0.686 0.000 1.061 439 V CA -0.405 61.477 62.300 -0.696 0.000 0.913 439 V CB 1.669 32.727 31.823 -1.276 0.000 1.005 439 V HN 0.891 nan 8.190 nan 0.000 0.428 440 I N 3.926 124.254 120.570 -0.402 0.000 2.466 440 I HA 0.611 4.782 4.170 0.001 0.000 0.289 440 I C -0.640 175.392 176.117 -0.142 0.000 1.026 440 I CA -0.252 60.859 61.300 -0.315 0.000 1.078 440 I CB 1.733 39.684 38.000 -0.082 0.000 1.249 440 I HN 0.995 nan 8.210 nan 0.000 0.429 441 E N 5.999 126.042 120.200 -0.262 0.000 2.308 441 E HA 0.519 4.870 4.350 0.001 0.000 0.275 441 E C -1.785 174.681 176.600 -0.223 0.000 0.890 441 E CA -0.503 55.810 56.400 -0.145 0.000 0.754 441 E CB 2.298 31.898 29.700 -0.166 0.000 1.207 441 E HN 0.653 nan 8.360 nan 0.000 0.426 442 D N 1.875 122.274 120.400 -0.002 0.000 2.837 442 D HA 0.079 4.720 4.640 0.001 0.000 0.294 442 D C 0.947 177.386 176.300 0.232 0.000 1.158 442 D CA -0.453 53.586 54.000 0.064 0.000 1.073 442 D CB -0.009 40.945 40.800 0.256 0.000 1.419 442 D HN 0.440 nan 8.370 nan 0.000 0.584 443 E N 0.106 120.539 120.200 0.388 0.000 2.209 443 E HA -0.209 4.142 4.350 0.001 0.000 0.196 443 E C 0.324 176.963 176.600 0.065 0.000 0.993 443 E CA 1.326 57.862 56.400 0.228 0.000 0.819 443 E CB -0.441 29.371 29.700 0.187 0.000 0.745 443 E HN 0.468 nan 8.360 nan 0.000 0.477 444 N N -0.983 117.742 118.700 0.040 0.000 2.397 444 N HA 0.085 4.826 4.740 0.001 0.000 0.190 444 N C -0.224 174.934 175.510 -0.586 0.000 1.099 444 N CA 0.274 53.179 53.050 -0.242 0.000 0.876 444 N CB 0.571 38.941 38.487 -0.194 0.000 1.143 444 N HN 0.125 nan 8.380 nan 0.000 0.468 445 Y N 0.237 120.498 120.300 -0.065 0.000 2.588 445 Y HA 0.419 4.970 4.550 0.001 0.000 0.343 445 Y C -0.314 175.443 175.900 -0.237 0.000 1.065 445 Y CA -1.072 56.830 58.100 -0.330 0.000 1.038 445 Y CB 2.035 40.091 38.460 -0.673 0.000 1.297 445 Y HN -0.339 nan 8.280 nan 0.000 0.467 446 K N 1.573 121.900 120.400 -0.123 0.000 2.471 446 K HA 0.427 4.748 4.320 0.001 0.000 0.252 446 K C -2.330 174.349 176.600 0.132 0.000 0.938 446 K CA -0.727 55.583 56.287 0.038 0.000 0.796 446 K CB 1.409 33.978 32.500 0.114 0.000 1.161 446 K HN 0.682 nan 8.250 nan 0.000 0.425 447 Y N 4.051 124.417 120.300 0.109 0.000 2.328 447 Y HA 0.401 4.951 4.550 0.001 0.000 0.337 447 Y C -1.359 174.551 175.900 0.018 0.000 0.966 447 Y CA -0.814 57.402 58.100 0.194 0.000 1.136 447 Y CB 1.339 39.969 38.460 0.283 0.000 1.170 447 Y HN 0.247 nan 8.280 nan 0.000 0.470 448 V N 7.140 126.786 119.914 -0.447 0.000 2.347 448 V HA 0.215 4.335 4.120 0.001 0.000 0.280 448 V C -0.823 174.864 176.094 -0.678 0.000 1.021 448 V CA -0.656 61.341 62.300 -0.505 0.000 0.847 448 V CB 0.716 32.324 31.823 -0.357 0.000 0.990 448 V HN 0.806 nan 8.190 nan 0.000 0.444 449 H N 4.537 123.181 119.070 -0.709 0.000 2.476 449 H HA 0.598 5.155 4.556 0.001 0.000 0.328 449 H C -1.123 174.096 175.328 -0.182 0.000 1.073 449 H CA -0.476 55.311 56.048 -0.436 0.000 1.229 449 H CB 0.935 30.514 29.762 -0.306 0.000 1.432 449 H HN 0.498 nan 8.280 nan 0.000 0.477 450 F N 3.301 123.038 119.950 -0.354 0.000 2.399 450 F HA 0.345 4.873 4.527 0.001 0.000 0.334 450 F C 1.461 177.252 175.800 -0.015 0.000 1.097 450 F CA -0.079 57.887 58.000 -0.057 0.000 1.076 450 F CB 1.583 40.596 39.000 0.021 0.000 1.162 450 F HN 0.775 nan 8.300 nan 0.000 0.495 451 A N 3.026 126.007 122.820 0.269 0.000 1.873 451 A HA 0.052 4.372 4.320 0.001 0.000 0.218 451 A C 1.415 179.108 177.584 0.182 0.000 1.193 451 A CA 2.041 54.201 52.037 0.205 0.000 0.629 451 A CB -0.679 18.386 19.000 0.108 0.000 0.826 451 A HN 0.904 nan 8.150 nan 0.000 0.447 452 A N -1.863 121.084 122.820 0.211 0.000 2.709 452 A HA 0.621 4.942 4.320 0.001 0.000 0.241 452 A C -0.182 177.480 177.584 0.131 0.000 0.879 452 A CA -0.356 51.765 52.037 0.140 0.000 1.120 452 A CB 0.117 19.181 19.000 0.107 0.000 1.226 452 A HN 0.279 nan 8.150 nan 0.000 0.468 453 L N -0.913 120.397 121.223 0.145 0.000 2.389 453 L HA 0.552 4.892 4.340 0.001 0.000 0.249 453 L C -2.708 174.123 176.870 -0.065 0.000 1.083 453 L CA -2.653 52.179 54.840 -0.013 0.000 0.876 453 L CB 2.274 44.293 42.059 -0.067 0.000 1.489 453 L HN -0.038 nan 8.230 nan 0.000 0.412 454 P HA 0.213 nan 4.420 nan 0.000 0.271 454 P C -2.606 174.673 177.300 -0.034 0.000 1.218 454 P CA -1.067 61.963 63.100 -0.116 0.000 0.780 454 P CB -0.027 31.561 31.700 -0.186 0.000 0.901 455 P HA 0.334 nan 4.420 nan 0.000 0.278 455 P C -0.944 176.311 177.300 -0.076 0.000 1.258 455 P CA -0.124 62.948 63.100 -0.047 0.000 0.811 455 P CB 0.747 32.462 31.700 0.026 0.000 1.063 456 L N 0.999 122.111 121.223 -0.185 0.000 2.381 456 L HA 0.648 4.989 4.340 0.001 0.000 0.268 456 L C -0.663 176.037 176.870 -0.283 0.000 0.997 456 L CA -0.708 53.918 54.840 -0.357 0.000 0.818 456 L CB 1.638 43.358 42.059 -0.564 0.000 1.310 456 L HN 0.285 nan 8.230 nan 0.000 0.416 457 F N 2.380 121.931 119.950 -0.666 0.000 2.581 457 F HA 0.710 5.238 4.527 0.001 0.000 0.311 457 F C -1.648 173.777 175.800 -0.624 0.000 1.113 457 F CA -0.922 56.815 58.000 -0.439 0.000 0.935 457 F CB 1.694 40.589 39.000 -0.175 0.000 1.232 457 F HN 0.097 nan 8.300 nan 0.000 0.445 458 F N 3.677 123.215 119.950 -0.687 0.000 2.547 458 F HA 0.279 4.807 4.527 0.001 0.000 0.316 458 F C -0.488 174.996 175.800 -0.527 0.000 1.121 458 F CA -1.218 56.511 58.000 -0.452 0.000 0.911 458 F CB 1.515 40.365 39.000 -0.250 0.000 1.179 458 F HN 0.312 nan 8.300 nan 0.000 0.443 459 D N 4.053 124.364 120.400 -0.148 0.000 2.411 459 D HA 0.232 4.872 4.640 0.001 0.000 0.225 459 D C 0.669 176.847 176.300 -0.203 0.000 1.156 459 D CA 0.057 53.922 54.000 -0.225 0.000 0.874 459 D CB 0.819 41.572 40.800 -0.077 0.000 1.034 459 D HN 0.583 nan 8.370 nan 0.000 0.502 460 L N 2.860 123.916 121.223 -0.279 0.000 2.395 460 L HA -0.043 4.298 4.340 0.001 0.000 0.218 460 L C 2.003 178.761 176.870 -0.186 0.000 1.130 460 L CA 0.346 55.065 54.840 -0.203 0.000 0.826 460 L CB -0.132 41.827 42.059 -0.166 0.000 0.941 460 L HN 0.169 nan 8.230 nan 0.000 0.451 461 K N 0.994 121.270 120.400 -0.206 0.000 1.984 461 K HA -0.029 4.291 4.320 0.001 0.000 0.209 461 K C 2.206 178.747 176.600 -0.100 0.000 1.046 461 K CA 1.647 57.851 56.287 -0.138 0.000 0.934 461 K CB -0.704 31.715 32.500 -0.134 0.000 0.717 461 K HN 0.183 nan 8.250 nan 0.000 0.438 462 A N 0.186 122.957 122.820 -0.083 0.000 1.929 462 A HA -0.081 4.239 4.320 0.001 0.000 0.216 462 A C 0.534 178.104 177.584 -0.024 0.000 1.176 462 A CA 1.651 53.670 52.037 -0.030 0.000 0.628 462 A CB -0.054 18.952 19.000 0.011 0.000 0.816 462 A HN 0.304 nan 8.150 nan 0.000 0.444 463 D N -1.902 118.468 120.400 -0.050 0.000 2.656 463 D HA 0.233 4.873 4.640 0.001 0.000 0.303 463 D C -2.232 173.983 176.300 -0.143 0.000 1.199 463 D CA -1.526 52.461 54.000 -0.023 0.000 0.797 463 D CB 0.906 41.745 40.800 0.066 0.000 1.170 463 D HN 0.077 nan 8.370 nan 0.000 0.509 464 P HA -0.042 nan 4.420 nan 0.000 0.234 464 P C 0.188 177.208 177.300 -0.466 0.000 1.167 464 P CA 0.737 63.607 63.100 -0.383 0.000 0.763 464 P CB -0.042 31.367 31.700 -0.484 0.000 0.835 465 H N -0.495 118.461 119.070 -0.190 0.000 2.581 465 H HA 0.236 4.793 4.556 0.001 0.000 0.275 465 H C -0.234 174.714 175.328 -0.634 0.000 1.126 465 H CA -0.448 55.383 56.048 -0.361 0.000 1.097 465 H CB -0.007 29.544 29.762 -0.353 0.000 1.626 465 H HN 0.028 nan 8.280 nan 0.000 0.565 466 E N -0.464 119.394 120.200 -0.569 0.000 2.358 466 E HA -0.226 4.125 4.350 0.001 0.000 0.246 466 E C -0.472 175.749 176.600 -0.632 0.000 1.127 466 E CA 0.063 55.730 56.400 -1.222 0.000 0.726 466 E CB -1.552 27.357 29.700 -1.318 0.000 1.272 466 E HN 0.463 nan 8.360 nan 0.000 0.390 467 F N -0.245 119.696 119.950 -0.014 0.000 2.653 467 F HA 0.144 4.672 4.527 0.001 0.000 0.288 467 F C 1.114 177.071 175.800 0.262 0.000 1.121 467 F CA 0.308 58.414 58.000 0.177 0.000 1.384 467 F CB 0.969 40.056 39.000 0.144 0.000 1.115 467 F HN -0.151 nan 8.300 nan 0.000 0.599 468 S N 0.996 116.989 115.700 0.489 0.000 2.577 468 S HA 0.167 4.638 4.470 0.001 0.000 0.294 468 S C -0.470 174.297 174.600 0.277 0.000 1.161 468 S CA -0.680 57.728 58.200 0.346 0.000 1.143 468 S CB 0.289 63.618 63.200 0.214 0.000 0.991 468 S HN 0.075 nan 8.310 nan 0.000 0.475 469 N N 3.214 122.004 118.700 0.150 0.000 2.429 469 N HA 0.066 4.807 4.740 0.001 0.000 0.271 469 N C 0.457 175.898 175.510 -0.115 0.000 1.272 469 N CA 0.067 53.030 53.050 -0.145 0.000 0.921 469 N CB 0.124 38.548 38.487 -0.104 0.000 1.128 469 N HN 0.592 nan 8.380 nan 0.000 0.481 470 L N 2.602 123.713 121.223 -0.187 0.000 2.592 470 L HA 0.173 4.514 4.340 0.001 0.000 0.227 470 L C 1.918 178.759 176.870 -0.049 0.000 1.127 470 L CA 0.083 54.807 54.840 -0.193 0.000 0.884 470 L CB -0.197 41.550 42.059 -0.520 0.000 1.065 470 L HN 0.598 nan 8.230 nan 0.000 0.457 471 A N 0.525 123.336 122.820 -0.014 0.000 1.969 471 A HA -0.071 4.249 4.320 0.001 0.000 0.218 471 A C 2.149 179.741 177.584 0.014 0.000 1.169 471 A CA 1.588 53.641 52.037 0.026 0.000 0.635 471 A CB -0.675 18.349 19.000 0.040 0.000 0.810 471 A HN 0.407 nan 8.150 nan 0.000 0.445 472 G N -1.010 107.797 108.800 0.012 0.000 3.088 472 G HA2 0.137 4.097 3.960 0.001 0.000 0.212 472 G HA3 0.137 4.097 3.960 0.001 0.000 0.212 472 G C 0.038 174.967 174.900 0.049 0.000 1.173 472 G CA 0.390 45.502 45.100 0.021 0.000 0.779 472 G HN 0.399 nan 8.290 nan 0.000 0.540 473 D N 0.514 120.968 120.400 0.090 0.000 2.313 473 D HA 0.253 4.894 4.640 0.001 0.000 0.239 473 D C -1.442 174.952 176.300 0.157 0.000 1.142 473 D CA -2.151 51.941 54.000 0.153 0.000 0.847 473 D CB 2.132 43.089 40.800 0.261 0.000 1.082 473 D HN -0.067 nan 8.370 nan 0.000 0.480 474 P HA -0.129 nan 4.420 nan 0.000 0.217 474 P C 1.014 178.331 177.300 0.028 0.000 1.148 474 P CA 1.216 64.344 63.100 0.046 0.000 0.828 474 P CB 0.206 31.922 31.700 0.026 0.000 0.783 475 A N -1.819 121.022 122.820 0.035 0.000 2.024 475 A HA -0.187 4.134 4.320 0.001 0.000 0.220 475 A C 1.444 178.889 177.584 -0.232 0.000 1.164 475 A CA 1.339 53.316 52.037 -0.099 0.000 0.643 475 A CB -1.620 17.296 19.000 -0.140 0.000 0.806 475 A HN 0.244 nan 8.150 nan 0.000 0.451 476 Y N -1.066 119.230 120.300 -0.006 0.000 2.468 476 Y HA 0.377 4.928 4.550 0.001 0.000 0.268 476 Y C 2.301 178.115 175.900 -0.144 0.000 1.177 476 Y CA -0.106 57.969 58.100 -0.041 0.000 1.265 476 Y CB -0.205 38.275 38.460 0.033 0.000 1.103 476 Y HN 0.315 nan 8.280 nan 0.000 0.522 477 A N 0.752 123.564 122.820 -0.014 0.000 1.903 477 A HA -0.281 4.040 4.320 0.001 0.000 0.219 477 A C 2.423 179.935 177.584 -0.120 0.000 1.191 477 A CA 2.274 54.268 52.037 -0.071 0.000 0.638 477 A CB -0.974 17.997 19.000 -0.049 0.000 0.823 477 A HN 0.430 nan 8.150 nan 0.000 0.451 478 A N -1.127 121.630 122.820 -0.104 0.000 1.968 478 A HA 0.154 4.475 4.320 0.001 0.000 0.217 478 A C 2.171 179.675 177.584 -0.133 0.000 1.169 478 A CA 1.265 53.241 52.037 -0.103 0.000 0.638 478 A CB -0.412 18.543 19.000 -0.075 0.000 0.812 478 A HN 0.460 nan 8.150 nan 0.000 0.446 479 L N -0.773 120.352 121.223 -0.163 0.000 2.023 479 L HA -0.108 4.232 4.340 0.001 0.000 0.205 479 L C 2.506 179.085 176.870 -0.485 0.000 1.073 479 L CA 0.950 55.652 54.840 -0.230 0.000 0.745 479 L CB -0.354 41.596 42.059 -0.181 0.000 0.900 479 L HN 0.218 nan 8.230 nan 0.000 0.435 480 V N -0.083 119.391 119.914 -0.733 0.000 2.469 480 V HA -0.309 3.812 4.120 0.001 0.000 0.251 480 V C 2.636 178.385 176.094 -0.575 0.000 1.064 480 V CA 1.780 63.511 62.300 -0.947 0.000 1.066 480 V CB -0.789 30.591 31.823 -0.738 0.000 0.667 480 V HN 0.461 nan 8.190 nan 0.000 0.461 481 R N 0.292 120.591 120.500 -0.335 0.000 2.082 481 R HA -0.223 4.118 4.340 0.001 0.000 0.234 481 R C 2.092 178.267 176.300 -0.208 0.000 1.136 481 R CA 2.385 58.352 56.100 -0.221 0.000 0.935 481 R CB -0.562 29.653 30.300 -0.140 0.000 0.842 481 R HN 0.443 nan 8.270 nan 0.000 0.430 482 D N -0.428 119.873 120.400 -0.164 0.000 2.133 482 D HA -0.206 4.435 4.640 0.001 0.000 0.192 482 D C 1.791 177.976 176.300 -0.192 0.000 1.001 482 D CA 1.560 55.482 54.000 -0.130 0.000 0.844 482 D CB -0.386 40.382 40.800 -0.054 0.000 0.944 482 D HN 0.342 nan 8.370 nan 0.000 0.447 483 Y N 0.551 120.654 120.300 -0.327 0.000 2.286 483 Y HA 0.080 4.630 4.550 0.001 0.000 0.293 483 Y C 2.377 178.109 175.900 -0.280 0.000 1.124 483 Y CA 0.740 58.679 58.100 -0.268 0.000 1.178 483 Y CB -0.591 37.730 38.460 -0.232 0.000 1.010 483 Y HN -0.076 nan 8.280 nan 0.000 0.536 484 A N -0.058 122.537 122.820 -0.374 0.000 1.940 484 A HA -0.265 4.055 4.320 0.001 0.000 0.219 484 A C 2.088 179.633 177.584 -0.065 0.000 1.176 484 A CA 1.922 53.861 52.037 -0.164 0.000 0.631 484 A CB -0.621 18.276 19.000 -0.172 0.000 0.814 484 A HN 0.532 nan 8.150 nan 0.000 0.446 485 Q N -0.467 119.272 119.800 -0.101 0.000 2.046 485 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 485 Q C 2.089 178.067 176.000 -0.036 0.000 0.975 485 Q CA 1.498 57.262 55.803 -0.065 0.000 0.836 485 Q CB -0.195 28.496 28.738 -0.078 0.000 0.896 485 Q HN 0.634 nan 8.270 nan 0.000 0.428 486 K N 0.626 120.983 120.400 -0.072 0.000 2.032 486 K HA -0.252 4.069 4.320 0.001 0.000 0.218 486 K C 2.153 178.803 176.600 0.083 0.000 1.054 486 K CA 1.553 57.818 56.287 -0.036 0.000 0.941 486 K CB -0.377 32.024 32.500 -0.165 0.000 0.720 486 K HN 0.184 nan 8.250 nan 0.000 0.449 487 A N 1.227 124.106 122.820 0.097 0.000 1.917 487 A HA -0.199 4.122 4.320 0.001 0.000 0.219 487 A C 2.114 179.834 177.584 0.227 0.000 1.182 487 A CA 1.441 53.600 52.037 0.204 0.000 0.633 487 A CB -0.600 18.514 19.000 0.191 0.000 0.819 487 A HN 0.239 nan 8.150 nan 0.000 0.448 488 L N -0.108 121.170 121.223 0.091 0.000 2.017 488 L HA -0.094 4.247 4.340 0.001 0.000 0.208 488 L C 2.644 179.539 176.870 0.042 0.000 1.073 488 L CA 2.480 57.341 54.840 0.036 0.000 0.745 488 L CB -0.768 41.286 42.059 -0.009 0.000 0.894 488 L HN 0.317 nan 8.230 nan 0.000 0.432 489 S N -1.482 114.254 115.700 0.060 0.000 2.399 489 S HA -0.244 4.226 4.470 0.001 0.000 0.231 489 S C 1.538 176.194 174.600 0.093 0.000 1.022 489 S CA 1.345 59.576 58.200 0.052 0.000 0.983 489 S CB -0.672 62.556 63.200 0.047 0.000 0.803 489 S HN 0.702 nan 8.310 nan 0.000 0.480 490 W N 3.117 124.389 121.300 -0.047 0.000 2.358 490 W HA -0.102 4.558 4.660 0.001 0.000 0.303 490 W C 2.012 178.501 176.519 -0.049 0.000 1.208 490 W CA 1.025 58.331 57.345 -0.064 0.000 1.274 490 W CB -0.194 29.155 29.460 -0.184 0.000 1.138 490 W HN 0.037 nan 8.180 nan 0.000 0.515 491 R N 0.559 120.899 120.500 -0.267 0.000 2.070 491 R HA -0.150 4.190 4.340 0.001 0.000 0.233 491 R C 2.278 178.421 176.300 -0.261 0.000 1.137 491 R CA 1.967 57.806 56.100 -0.434 0.000 0.945 491 R CB -1.624 28.526 30.300 -0.249 0.000 0.845 491 R HN 0.366 nan 8.270 nan 0.000 0.430 492 L N 0.577 121.713 121.223 -0.144 0.000 2.013 492 L HA -0.176 4.164 4.340 0.001 0.000 0.212 492 L C 2.357 179.146 176.870 -0.135 0.000 1.073 492 L CA 1.540 56.313 54.840 -0.111 0.000 0.753 492 L CB -0.623 41.395 42.059 -0.069 0.000 0.890 492 L HN 0.136 nan 8.230 nan 0.000 0.432 493 S N -1.976 113.637 115.700 -0.145 0.000 2.507 493 S HA -0.107 4.364 4.470 0.001 0.000 0.235 493 S C 1.264 175.616 174.600 -0.412 0.000 0.988 493 S CA 0.712 58.778 58.200 -0.223 0.000 0.944 493 S CB -0.254 62.836 63.200 -0.183 0.000 0.762 493 S HN 0.417 nan 8.310 nan 0.000 0.526 494 H N -0.044 118.875 119.070 -0.250 0.000 2.512 494 H HA 0.454 5.010 4.556 0.001 0.000 0.276 494 H C 0.626 175.832 175.328 -0.203 0.000 1.126 494 H CA -0.202 55.700 56.048 -0.242 0.000 1.060 494 H CB 0.016 29.538 29.762 -0.400 0.000 1.646 494 H HN 0.276 nan 8.280 nan 0.000 0.571 495 A N 1.194 123.948 122.820 -0.110 0.000 2.507 495 A HA -0.044 4.277 4.320 0.001 0.000 0.235 495 A C 0.219 177.787 177.584 -0.026 0.000 1.070 495 A CA -0.136 51.858 52.037 -0.072 0.000 0.768 495 A CB 0.006 18.964 19.000 -0.071 0.000 1.011 495 A HN 0.427 nan 8.150 nan 0.000 0.502 496 D N -0.478 119.922 120.400 0.001 0.000 2.583 496 D HA 0.049 4.690 4.640 0.001 0.000 0.232 496 D C 0.910 177.233 176.300 0.039 0.000 1.128 496 D CA 0.833 54.856 54.000 0.038 0.000 0.859 496 D CB 0.379 41.210 40.800 0.052 0.000 1.169 496 D HN 0.455 nan 8.370 nan 0.000 0.481 497 R N 2.181 122.716 120.500 0.059 0.000 2.509 497 R HA 0.102 4.443 4.340 0.001 0.000 0.300 497 R C 1.546 177.923 176.300 0.127 0.000 0.985 497 R CA -0.085 56.056 56.100 0.069 0.000 1.092 497 R CB 0.351 30.674 30.300 0.038 0.000 1.237 497 R HN 0.430 nan 8.270 nan 0.000 0.546 498 T N 1.472 116.100 114.554 0.124 0.000 2.597 498 T HA -0.155 4.195 4.350 0.001 0.000 0.267 498 T C 1.431 176.269 174.700 0.230 0.000 1.053 498 T CA 1.300 63.493 62.100 0.155 0.000 1.165 498 T CB 0.019 68.954 68.868 0.112 0.000 0.863 498 T HN 0.215 nan 8.240 nan 0.000 0.427 499 L N 1.028 122.353 121.223 0.171 0.000 2.808 499 L HA 0.190 4.530 4.340 0.001 0.000 0.246 499 L C 2.184 179.082 176.870 0.047 0.000 1.153 499 L CA 0.218 55.161 54.840 0.172 0.000 0.956 499 L CB -0.212 41.929 42.059 0.138 0.000 1.270 499 L HN 0.383 nan 8.230 nan 0.000 0.528 500 T N -4.324 110.269 114.554 0.066 0.000 3.118 500 T HA -0.114 4.237 4.350 0.001 0.000 0.260 500 T C 1.450 176.154 174.700 0.006 0.000 1.139 500 T CA 0.890 63.009 62.100 0.032 0.000 1.085 500 T CB -0.530 68.362 68.868 0.040 0.000 0.934 500 T HN 0.585 nan 8.240 nan 0.000 0.518 501 H N -1.751 117.271 119.070 -0.079 0.000 2.548 501 H HA 0.348 4.905 4.556 0.001 0.000 0.265 501 H C -0.050 175.163 175.328 -0.192 0.000 0.969 501 H CA -0.557 55.398 56.048 -0.156 0.000 1.155 501 H CB -0.466 29.155 29.762 -0.234 0.000 1.394 501 H HN 0.315 nan 8.280 nan 0.000 0.570 502 Y N 1.677 121.716 120.300 -0.436 0.000 2.300 502 Y HA 0.444 4.995 4.550 0.001 0.000 0.328 502 Y C 0.457 176.285 175.900 -0.120 0.000 1.270 502 Y CA -0.666 57.274 58.100 -0.267 0.000 1.352 502 Y CB 0.812 39.098 38.460 -0.290 0.000 1.286 502 Y HN 0.162 nan 8.280 nan 0.000 0.536 503 R N 0.514 121.094 120.500 0.132 0.000 2.515 503 R HA 0.281 4.622 4.340 0.001 0.000 0.278 503 R C -1.027 175.302 176.300 0.048 0.000 1.107 503 R CA -0.897 55.239 56.100 0.061 0.000 0.945 503 R CB 1.677 32.001 30.300 0.039 0.000 1.219 503 R HN 0.797 nan 8.270 nan 0.000 0.434 504 S N 0.745 116.457 115.700 0.020 0.000 2.585 504 S HA 0.610 5.080 4.470 0.001 0.000 0.273 504 S C 0.378 174.984 174.600 0.011 0.000 1.339 504 S CA -0.363 57.842 58.200 0.007 0.000 1.028 504 S CB 1.180 64.376 63.200 -0.007 0.000 0.906 504 S HN 0.718 nan 8.310 nan 0.000 0.528 505 S N 0.058 115.763 115.700 0.008 0.000 2.615 505 S HA 0.565 5.035 4.470 0.001 0.000 0.269 505 S C -2.905 171.698 174.600 0.005 0.000 1.161 505 S CA -1.185 57.019 58.200 0.008 0.000 0.817 505 S CB 0.726 63.934 63.200 0.013 0.000 1.131 505 S HN 0.398 nan 8.310 nan 0.000 0.467 506 P HA 0.069 nan 4.420 nan 0.000 0.225 506 P C 0.521 177.823 177.300 0.003 0.000 1.148 506 P CA 0.994 64.096 63.100 0.002 0.000 0.779 506 P CB -0.057 31.644 31.700 0.002 0.000 0.780 507 Q N -0.765 119.039 119.800 0.006 0.000 2.280 507 Q HA 0.405 4.745 4.340 0.001 0.000 0.202 507 Q C 0.929 176.935 176.000 0.009 0.000 0.903 507 Q CA 0.375 56.182 55.803 0.007 0.000 0.948 507 Q CB 0.063 28.806 28.738 0.009 0.000 1.058 507 Q HN 0.170 nan 8.270 nan 0.000 0.493 508 G N 0.348 109.153 108.800 0.008 0.000 2.549 508 G HA2 -0.192 3.769 3.960 0.001 0.000 0.404 508 G HA3 -0.192 3.769 3.960 0.001 0.000 0.404 508 G C -1.460 173.450 174.900 0.016 0.000 1.292 508 G CA -0.883 44.221 45.100 0.008 0.000 0.935 508 G HN 0.147 nan 8.290 nan 0.000 0.512 509 L N 1.630 122.863 121.223 0.016 0.000 2.477 509 L HA 0.610 4.950 4.340 0.001 0.000 0.272 509 L C 1.268 178.181 176.870 0.073 0.000 1.157 509 L CA 1.319 56.180 54.840 0.035 0.000 0.889 509 L CB 0.230 42.293 42.059 0.006 0.000 1.158 509 L HN 1.409 nan 8.230 nan 0.000 0.473 510 T N 0.469 115.081 114.554 0.097 0.000 2.864 510 T HA 0.594 4.945 4.350 0.001 0.000 0.289 510 T C -0.103 174.669 174.700 0.120 0.000 1.082 510 T CA -0.772 61.386 62.100 0.096 0.000 1.009 510 T CB 1.517 70.418 68.868 0.054 0.000 1.234 510 T HN 0.491 nan 8.240 nan 0.000 0.526 511 T N 0.520 115.117 114.554 0.071 0.000 2.888 511 T HA 0.672 5.022 4.350 0.001 0.000 0.284 511 T C -0.619 174.093 174.700 0.020 0.000 1.017 511 T CA -0.630 61.483 62.100 0.021 0.000 1.022 511 T CB 1.317 70.198 68.868 0.022 0.000 1.013 511 T HN 0.583 nan 8.240 nan 0.000 0.465 512 R N 2.465 122.975 120.500 0.016 0.000 2.393 512 R HA 0.389 4.730 4.340 0.001 0.000 0.310 512 R C 1.451 177.755 176.300 0.005 0.000 0.968 512 R CA -0.541 55.567 56.100 0.013 0.000 0.867 512 R CB 0.553 30.860 30.300 0.013 0.000 1.124 512 R HN 0.650 nan 8.270 nan 0.000 0.450 513 N N 0.655 119.349 118.700 -0.010 0.000 2.392 513 N HA -0.020 4.721 4.740 0.001 0.000 0.177 513 N C 0.297 175.791 175.510 -0.026 0.000 1.066 513 N CA 0.689 53.721 53.050 -0.030 0.000 0.895 513 N CB 0.123 38.594 38.487 -0.027 0.000 0.988 513 N HN 0.582 nan 8.380 nan 0.000 0.457 514 H N 0.000 119.062 119.070 -0.014 0.000 2.539 514 H HA 0.000 4.557 4.556 0.001 0.000 0.296 514 H CA 0.000 56.040 56.048 -0.013 0.000 1.023 514 H CB 0.000 29.757 29.762 -0.008 0.000 1.292 514 H HN 0.000 nan 8.280 nan 0.000 0.496