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 3dt2_1_A DATA FIRST_RESID 2 DATA SEQUENCE PPQLHNGLDF SAKVIQGSLD SLPQEVRKFV EGNAQLCQPE YIHICDGSEE DATA SEQUENCE EYGRLLAHMQ EEGVIRKLKK YDNCWLALTD PRDVARIESK TVIITQEQRD DATA SEQUENCE TVPIPKSGQS QLGRWMSEED FEKAFNARFP GCMKGRTMYV IPFSMGPLGS DATA SEQUENCE PLAKIGIELT DSPYVVASMR IMTRMGTSVL EALGDGEFIK CLHSVGCPLP DATA SEQUENCE LKKPLVNNWA CNPELTLIAH LPDRREIISF GSGYGGNSLL GKKCFALRIA DATA SEQUENCE SRLAKEEGWL AEHMLILGIT NPEGKKKYLA AAFPSACGKT NLAMMNPTLP DATA SEQUENCE GWKVECVGDD IAWMKFDAQG NLRAINPENG FFGVAPGTSV KTNPNAIKTI DATA SEQUENCE QKNTIFTNVA ETSDGGVYWE GIDEPLAPGV TITSWKNKEW RPQDEEPCAH DATA SEQUENCE PNSRFCTPAS QCPIIDPAWE SPEGVPIEGI IFGGRRPAGV PLVYEALSWQ DATA SEQUENCE HGVFVGAAMR SEATAAAEHK GKVIMHDPFA MRPFFGYNFG KYLAHWLSMA DATA SEQUENCE HRPAAKLPKI FHVNWFRKDK NGKFLWPGFG ENSRVLEWMF GRIEGEDSAK DATA SEQUENCE LTPIGYVPKE DALNLKGLGD VNVEELFGIS KEFWEKEVEE IDKYLEDQVN DATA SEQUENCE ADLPYEIERE LRALKQRISQ M 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.295 177.300 -0.009 0.000 1.155 2 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 2 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 3 P HA 0.286 nan 4.420 nan 0.000 0.274 3 P C -0.514 176.782 177.300 -0.008 0.000 1.291 3 P CA 0.633 63.729 63.100 -0.007 0.000 0.815 3 P CB 0.905 32.605 31.700 -0.000 0.000 0.897 4 Q N 1.534 121.322 119.800 -0.020 0.000 2.666 4 Q HA 0.263 4.644 4.340 0.068 0.000 0.276 4 Q C -0.837 175.126 176.000 -0.061 0.000 0.952 4 Q CA -0.901 54.889 55.803 -0.022 0.000 0.850 4 Q CB 0.458 29.188 28.738 -0.013 0.000 1.512 4 Q HN 0.122 nan 8.270 nan 0.000 0.395 5 L N 0.141 121.318 121.223 -0.077 0.000 2.477 5 L HA 0.166 4.547 4.340 0.068 0.000 0.220 5 L C 0.567 177.095 176.870 -0.570 0.000 1.106 5 L CA 0.876 55.575 54.840 -0.235 0.000 0.851 5 L CB -0.042 41.920 42.059 -0.160 0.000 0.994 5 L HN 0.704 nan 8.230 nan 0.000 0.462 6 H N -2.839 116.213 119.070 -0.029 0.000 5.322 6 H HA 0.253 4.850 4.556 0.068 0.000 0.096 6 H C 0.501 175.799 175.328 -0.049 0.000 1.316 6 H CA -0.494 55.532 56.048 -0.038 0.000 0.255 6 H CB 0.296 30.033 29.762 -0.041 0.000 1.685 6 H HN -0.181 nan 8.280 nan 0.000 0.125 7 N N 0.853 119.599 118.700 0.078 0.000 2.238 7 N HA 0.178 4.959 4.740 0.068 0.000 0.235 7 N C 0.358 175.837 175.510 -0.052 0.000 1.209 7 N CA 0.763 53.801 53.050 -0.020 0.000 0.879 7 N CB 1.420 39.868 38.487 -0.064 0.000 1.136 7 N HN 0.687 nan 8.380 nan 0.000 0.517 8 G N 1.367 110.158 108.800 -0.014 0.000 2.594 8 G HA2 -0.303 3.697 3.960 0.068 0.000 0.297 8 G HA3 -0.303 3.697 3.960 0.068 0.000 0.297 8 G C 0.252 175.108 174.900 -0.074 0.000 1.273 8 G CA 0.074 45.162 45.100 -0.019 0.000 0.974 8 G HN 0.285 nan 8.290 nan 0.000 0.552 9 L N 0.971 122.167 121.223 -0.045 0.000 2.912 9 L HA 0.279 4.659 4.340 0.068 0.000 0.240 9 L C 0.397 177.201 176.870 -0.110 0.000 1.262 9 L CA -0.291 54.517 54.840 -0.053 0.000 1.058 9 L CB 0.167 42.313 42.059 0.145 0.000 1.383 9 L HN 0.458 nan 8.230 nan 0.000 0.512 10 D N 0.320 120.603 120.400 -0.194 0.000 2.346 10 D HA 0.014 4.694 4.640 0.068 0.000 0.260 10 D C 0.225 176.348 176.300 -0.294 0.000 1.252 10 D CA 0.152 54.076 54.000 -0.128 0.000 0.895 10 D CB 0.540 41.288 40.800 -0.087 0.000 1.097 10 D HN 0.060 nan 8.370 nan 0.000 0.489 11 F N 1.899 121.850 119.950 0.002 0.000 2.684 11 F HA 0.122 4.691 4.527 0.069 0.000 0.298 11 F C 2.231 178.028 175.800 -0.005 0.000 1.120 11 F CA -0.333 57.663 58.000 -0.006 0.000 1.332 11 F CB 0.217 39.210 39.000 -0.012 0.000 0.986 11 F HN 0.275 nan 8.300 nan 0.000 0.524 12 S N 0.665 116.419 115.700 0.089 0.000 2.387 12 S HA -0.293 4.218 4.470 0.068 0.000 0.230 12 S C 2.445 177.076 174.600 0.052 0.000 1.035 12 S CA 1.415 59.651 58.200 0.061 0.000 1.014 12 S CB -0.326 62.891 63.200 0.027 0.000 0.836 12 S HN 0.485 nan 8.310 nan 0.000 0.466 13 A N 0.877 123.718 122.820 0.036 0.000 2.070 13 A HA -0.039 4.322 4.320 0.068 0.000 0.220 13 A C 1.889 179.504 177.584 0.053 0.000 1.159 13 A CA 1.135 53.190 52.037 0.030 0.000 0.656 13 A CB -0.196 18.807 19.000 0.005 0.000 0.800 13 A HN 0.427 nan 8.150 nan 0.000 0.453 14 K N -0.478 119.972 120.400 0.084 0.000 2.358 14 K HA 0.230 4.591 4.320 0.068 0.000 0.197 14 K C -0.545 176.119 176.600 0.106 0.000 1.025 14 K CA -0.165 56.174 56.287 0.088 0.000 1.104 14 K CB 0.650 33.201 32.500 0.085 0.000 0.855 14 K HN 0.237 nan 8.250 nan 0.000 0.531 15 V N 3.031 122.994 119.914 0.083 0.000 2.455 15 V HA 0.058 4.219 4.120 0.068 0.000 0.273 15 V C 1.010 177.127 176.094 0.039 0.000 1.045 15 V CA 0.145 62.478 62.300 0.056 0.000 0.976 15 V CB 0.688 32.533 31.823 0.037 0.000 0.993 15 V HN 0.247 nan 8.190 nan 0.000 0.475 16 I N 1.718 122.299 120.570 0.018 0.000 4.082 16 I HA 0.501 4.712 4.170 0.068 0.000 0.337 16 I C 0.368 176.418 176.117 -0.111 0.000 1.352 16 I CA 0.038 61.328 61.300 -0.018 0.000 1.097 16 I CB 0.531 38.528 38.000 -0.005 0.000 1.048 16 I HN 0.601 nan 8.210 nan 0.000 0.393 17 Q N 1.502 121.194 119.800 -0.180 0.000 2.295 17 Q HA 0.603 4.984 4.340 0.068 0.000 0.268 17 Q C -0.117 175.777 176.000 -0.177 0.000 1.010 17 Q CA 0.357 55.989 55.803 -0.285 0.000 0.856 17 Q CB 2.043 30.318 28.738 -0.773 0.000 1.349 17 Q HN 0.559 nan 8.270 nan 0.000 0.412 18 G N 1.703 110.437 108.800 -0.110 0.000 2.593 18 G HA2 -0.048 3.953 3.960 0.068 0.000 0.237 18 G HA3 -0.048 3.953 3.960 0.068 0.000 0.237 18 G C -0.768 174.113 174.900 -0.031 0.000 1.312 18 G CA -0.241 44.824 45.100 -0.057 0.000 0.896 18 G HN 1.378 nan 8.290 nan 0.000 0.574 19 S N -1.434 114.258 115.700 -0.013 0.000 2.603 19 S HA 0.546 5.056 4.470 0.068 0.000 0.274 19 S C 1.160 175.766 174.600 0.010 0.000 1.168 19 S CA 0.226 58.426 58.200 0.000 0.000 0.963 19 S CB 1.175 64.375 63.200 0.000 0.000 1.078 19 S HN 1.090 nan 8.310 nan 0.000 0.477 20 L N 2.911 124.147 121.223 0.023 0.000 2.127 20 L HA -0.082 4.299 4.340 0.068 0.000 0.211 20 L C 1.787 178.674 176.870 0.028 0.000 1.089 20 L CA 1.193 56.053 54.840 0.033 0.000 0.757 20 L CB -0.284 41.808 42.059 0.055 0.000 0.899 20 L HN 0.664 nan 8.230 nan 0.000 0.434 21 D N -0.563 119.850 120.400 0.021 0.000 2.218 21 D HA -0.126 4.555 4.640 0.068 0.000 0.204 21 D C 2.276 178.583 176.300 0.012 0.000 0.976 21 D CA 1.184 55.194 54.000 0.017 0.000 0.853 21 D CB 0.082 40.890 40.800 0.013 0.000 0.939 21 D HN 0.242 nan 8.370 nan 0.000 0.481 22 S N 0.167 115.872 115.700 0.008 0.000 2.453 22 S HA 0.016 4.527 4.470 0.068 0.000 0.231 22 S C 1.169 175.769 174.600 -0.000 0.000 1.005 22 S CA 0.067 58.269 58.200 0.003 0.000 0.949 22 S CB 0.204 63.404 63.200 -0.001 0.000 0.774 22 S HN 0.205 nan 8.310 nan 0.000 0.510 23 L N 2.410 123.635 121.223 0.002 0.000 2.417 23 L HA 0.264 4.644 4.340 0.068 0.000 0.268 23 L C -2.333 174.537 176.870 -0.000 0.000 1.158 23 L CA -2.111 52.725 54.840 -0.007 0.000 0.819 23 L CB -0.280 41.777 42.059 -0.002 0.000 1.112 23 L HN -0.068 nan 8.230 nan 0.000 0.458 24 P HA -0.074 nan 4.420 nan 0.000 0.265 24 P C 0.282 177.605 177.300 0.038 0.000 1.187 24 P CA -0.017 63.088 63.100 0.008 0.000 0.766 24 P CB 0.478 32.175 31.700 -0.006 0.000 0.820 25 Q N 2.536 122.369 119.800 0.054 0.000 2.118 25 Q HA -0.314 4.067 4.340 0.068 0.000 0.211 25 Q C 1.126 177.194 176.000 0.112 0.000 0.998 25 Q CA 1.840 57.685 55.803 0.071 0.000 0.872 25 Q CB -0.103 28.672 28.738 0.061 0.000 0.925 25 Q HN 0.391 nan 8.270 nan 0.000 0.414 26 E N -0.246 120.047 120.200 0.156 0.000 2.208 26 E HA -0.083 4.308 4.350 0.068 0.000 0.193 26 E C 2.174 178.994 176.600 0.366 0.000 0.988 26 E CA 0.875 57.428 56.400 0.254 0.000 0.828 26 E CB -0.010 29.863 29.700 0.288 0.000 0.763 26 E HN 0.302 nan 8.360 nan 0.000 0.478 27 V N 1.315 121.335 119.914 0.176 0.000 2.307 27 V HA -0.225 3.936 4.120 0.068 0.000 0.245 27 V C 2.615 178.787 176.094 0.131 0.000 1.045 27 V CA 1.863 64.159 62.300 -0.008 0.000 1.024 27 V CB -0.527 31.136 31.823 -0.267 0.000 0.651 27 V HN 0.184 nan 8.190 nan 0.000 0.449 28 R N 0.357 120.914 120.500 0.096 0.000 2.096 28 R HA -0.231 4.150 4.340 0.068 0.000 0.240 28 R C 2.402 178.784 176.300 0.136 0.000 1.139 28 R CA 1.986 58.144 56.100 0.097 0.000 0.952 28 R CB -0.214 30.133 30.300 0.078 0.000 0.854 28 R HN 0.471 nan 8.270 nan 0.000 0.436 29 K N -0.523 119.980 120.400 0.172 0.000 2.057 29 K HA -0.183 4.178 4.320 0.068 0.000 0.207 29 K C 1.936 178.673 176.600 0.228 0.000 1.049 29 K CA 1.628 58.023 56.287 0.181 0.000 0.931 29 K CB -0.341 32.261 32.500 0.171 0.000 0.714 29 K HN 0.139 nan 8.250 nan 0.000 0.440 30 F N 1.576 121.608 119.950 0.136 0.000 2.102 30 F HA -0.222 4.346 4.527 0.067 0.000 0.298 30 F C 1.880 177.731 175.800 0.084 0.000 1.105 30 F CA 1.141 59.227 58.000 0.142 0.000 1.239 30 F CB -0.462 38.703 39.000 0.275 0.000 0.991 30 F HN -0.274 nan 8.300 nan 0.000 0.474 31 V N 0.612 120.485 119.914 -0.068 0.000 2.261 31 V HA -0.297 3.864 4.120 0.068 0.000 0.246 31 V C 2.342 178.329 176.094 -0.179 0.000 1.047 31 V CA 2.417 64.599 62.300 -0.196 0.000 1.015 31 V CB -0.735 31.053 31.823 -0.059 0.000 0.642 31 V HN 0.344 nan 8.190 nan 0.000 0.446 32 E N 0.116 120.297 120.200 -0.032 0.000 2.107 32 E HA -0.103 4.288 4.350 0.068 0.000 0.191 32 E C 2.321 178.921 176.600 0.000 0.000 0.982 32 E CA 1.045 57.465 56.400 0.034 0.000 0.809 32 E CB -0.457 29.396 29.700 0.255 0.000 0.756 32 E HN 0.647 nan 8.360 nan 0.000 0.459 33 G N 1.644 110.460 108.800 0.026 0.000 2.418 33 G HA2 -0.260 3.741 3.960 0.068 0.000 0.217 33 G HA3 -0.260 3.741 3.960 0.068 0.000 0.217 33 G C 1.483 176.354 174.900 -0.048 0.000 1.158 33 G CA 0.602 45.723 45.100 0.036 0.000 0.771 33 G HN 0.137 nan 8.290 nan 0.000 0.545 34 N N 0.905 119.509 118.700 -0.160 0.000 2.354 34 N HA 0.013 4.794 4.740 0.068 0.000 0.179 34 N C 2.521 177.892 175.510 -0.232 0.000 1.021 34 N CA 0.875 53.814 53.050 -0.184 0.000 0.887 34 N CB -0.125 38.181 38.487 -0.302 0.000 0.974 34 N HN 0.306 nan 8.380 nan 0.000 0.437 35 A N 1.206 123.789 122.820 -0.395 0.000 1.902 35 A HA -0.211 4.150 4.320 0.068 0.000 0.217 35 A C 2.238 179.459 177.584 -0.605 0.000 1.181 35 A CA 1.524 53.169 52.037 -0.654 0.000 0.623 35 A CB -0.575 17.716 19.000 -1.181 0.000 0.818 35 A HN 0.214 nan 8.150 nan 0.000 0.443 36 Q N -0.431 119.128 119.800 -0.403 0.000 2.084 36 Q HA -0.148 4.232 4.340 0.068 0.000 0.202 36 Q C 1.847 177.857 176.000 0.018 0.000 0.978 36 Q CA 1.966 57.794 55.803 0.042 0.000 0.844 36 Q CB -0.543 28.331 28.738 0.228 0.000 0.898 36 Q HN 0.535 nan 8.270 nan 0.000 0.426 37 L N -0.643 120.575 121.223 -0.008 0.000 2.005 37 L HA -0.092 4.289 4.340 0.068 0.000 0.207 37 L C 1.988 178.862 176.870 0.006 0.000 1.072 37 L CA 1.954 56.811 54.840 0.027 0.000 0.744 37 L CB -0.709 41.392 42.059 0.069 0.000 0.895 37 L HN 0.399 nan 8.230 nan 0.000 0.433 38 C N -0.608 118.678 119.300 -0.023 0.000 2.563 38 C HA 0.168 4.668 4.460 0.068 0.000 0.268 38 C C 1.018 175.983 174.990 -0.042 0.000 1.365 38 C CA -0.163 58.852 59.018 -0.006 0.000 1.754 38 C CB -0.995 26.756 27.740 0.017 0.000 1.932 38 C HN 0.690 nan 8.230 nan 0.000 0.536 39 Q N -0.429 119.325 119.800 -0.077 0.000 2.460 39 Q HA -0.150 4.231 4.340 0.068 0.000 0.311 39 Q C -2.376 173.577 176.000 -0.079 0.000 1.396 39 Q CA 0.077 55.843 55.803 -0.062 0.000 0.838 39 Q CB -1.481 27.245 28.738 -0.020 0.000 1.140 39 Q HN 0.497 nan 8.270 nan 0.000 0.415 40 P HA -0.049 nan 4.420 nan 0.000 0.272 40 P C 0.434 177.653 177.300 -0.135 0.000 1.230 40 P CA 0.289 63.326 63.100 -0.105 0.000 0.788 40 P CB 0.891 32.524 31.700 -0.111 0.000 0.949 41 E N 1.008 121.091 120.200 -0.195 0.000 2.158 41 E HA -0.043 4.347 4.350 0.068 0.000 0.191 41 E C -0.343 175.874 176.600 -0.637 0.000 0.982 41 E CA 1.277 57.405 56.400 -0.452 0.000 0.823 41 E CB -0.160 29.173 29.700 -0.612 0.000 0.766 41 E HN 0.471 nan 8.360 nan 0.000 0.468 42 Y N -1.136 119.136 120.300 -0.047 0.000 2.553 42 Y HA 0.501 5.093 4.550 0.069 0.000 0.347 42 Y C -0.492 175.351 175.900 -0.095 0.000 1.019 42 Y CA -1.073 56.994 58.100 -0.055 0.000 1.032 42 Y CB 1.555 39.978 38.460 -0.062 0.000 1.284 42 Y HN -0.238 nan 8.280 nan 0.000 0.466 43 I N 1.751 122.370 120.570 0.082 0.000 2.406 43 I HA 0.285 4.496 4.170 0.068 0.000 0.290 43 I C -1.062 175.077 176.117 0.038 0.000 0.999 43 I CA -0.563 60.745 61.300 0.012 0.000 1.124 43 I CB 1.673 39.676 38.000 0.005 0.000 1.289 43 I HN 0.696 nan 8.210 nan 0.000 0.441 44 H N 6.810 125.810 119.070 -0.117 0.000 2.685 44 H HA 0.525 5.123 4.556 0.070 0.000 0.307 44 H C -0.960 174.389 175.328 0.036 0.000 1.017 44 H CA -0.609 55.404 56.048 -0.058 0.000 1.237 44 H CB 0.977 30.647 29.762 -0.154 0.000 1.409 44 H HN 0.481 nan 8.280 nan 0.000 0.488 45 I N 5.955 126.557 120.570 0.054 0.000 2.322 45 I HA 0.073 4.284 4.170 0.068 0.000 0.292 45 I C 0.115 176.325 176.117 0.154 0.000 1.060 45 I CA -0.433 60.928 61.300 0.103 0.000 1.309 45 I CB 0.378 38.393 38.000 0.024 0.000 1.415 45 I HN 0.615 nan 8.210 nan 0.000 0.492 46 C N 5.172 124.644 119.300 0.286 0.000 2.637 46 C HA 0.052 4.553 4.460 0.068 0.000 0.418 46 C C 1.462 176.535 174.990 0.137 0.000 1.319 46 C CA -0.354 58.835 59.018 0.285 0.000 1.949 46 C CB -0.119 27.757 27.740 0.226 0.000 2.639 46 C HN 0.835 nan 8.230 nan 0.000 0.594 47 D N -0.140 120.332 120.400 0.119 0.000 2.417 47 D HA 0.187 4.868 4.640 0.068 0.000 0.207 47 D C 1.454 177.785 176.300 0.051 0.000 1.075 47 D CA 0.674 54.712 54.000 0.063 0.000 0.851 47 D CB -0.220 40.604 40.800 0.041 0.000 0.976 47 D HN 0.916 nan 8.370 nan 0.000 0.505 48 G N 0.500 109.334 108.800 0.058 0.000 2.162 48 G HA2 -0.300 3.701 3.960 0.068 0.000 0.260 48 G HA3 -0.300 3.701 3.960 0.068 0.000 0.260 48 G C 0.456 175.362 174.900 0.010 0.000 0.976 48 G CA 0.628 45.734 45.100 0.011 0.000 0.655 48 G HN 0.869 nan 8.290 nan 0.000 0.533 49 S N -0.380 115.348 115.700 0.048 0.000 2.593 49 S HA 0.538 5.049 4.470 0.068 0.000 0.269 49 S C 1.253 175.908 174.600 0.090 0.000 1.334 49 S CA 0.265 58.499 58.200 0.056 0.000 1.015 49 S CB 1.588 64.824 63.200 0.060 0.000 0.912 49 S HN 0.164 nan 8.310 nan 0.000 0.541 50 E N 1.037 121.296 120.200 0.097 0.000 2.110 50 E HA -0.181 4.210 4.350 0.068 0.000 0.193 50 E C 1.951 178.646 176.600 0.158 0.000 0.988 50 E CA 1.694 58.186 56.400 0.153 0.000 0.804 50 E CB -0.429 29.346 29.700 0.124 0.000 0.745 50 E HN 0.948 nan 8.360 nan 0.000 0.458 51 E N 1.767 122.033 120.200 0.110 0.000 2.051 51 E HA -0.232 4.159 4.350 0.068 0.000 0.192 51 E C 1.996 178.661 176.600 0.109 0.000 0.991 51 E CA 1.944 58.399 56.400 0.092 0.000 0.799 51 E CB -0.331 29.409 29.700 0.068 0.000 0.748 51 E HN 0.347 nan 8.360 nan 0.000 0.449 52 E N -1.228 119.050 120.200 0.130 0.000 2.085 52 E HA -0.267 4.124 4.350 0.068 0.000 0.194 52 E C 2.005 178.715 176.600 0.183 0.000 0.994 52 E CA 1.247 57.746 56.400 0.166 0.000 0.801 52 E CB -0.465 29.349 29.700 0.190 0.000 0.743 52 E HN 0.455 nan 8.360 nan 0.000 0.453 53 Y N 0.925 121.236 120.300 0.019 0.000 2.181 53 Y HA -0.053 4.541 4.550 0.072 0.000 0.288 53 Y C 2.215 178.091 175.900 -0.039 0.000 1.146 53 Y CA 1.791 59.874 58.100 -0.028 0.000 1.164 53 Y CB -0.910 37.539 38.460 -0.019 0.000 0.982 53 Y HN 0.133 nan 8.280 nan 0.000 0.515 54 G N 0.276 109.078 108.800 0.004 0.000 2.440 54 G HA2 -0.253 3.748 3.960 0.068 0.000 0.218 54 G HA3 -0.253 3.748 3.960 0.068 0.000 0.218 54 G C 1.783 176.647 174.900 -0.059 0.000 1.154 54 G CA 0.818 45.877 45.100 -0.069 0.000 0.767 54 G HN 0.211 nan 8.290 nan 0.000 0.552 55 R N -0.200 120.305 120.500 0.007 0.000 2.092 55 R HA 0.086 4.467 4.340 0.068 0.000 0.231 55 R C 2.467 178.779 176.300 0.019 0.000 1.119 55 R CA 0.600 56.715 56.100 0.026 0.000 0.970 55 R CB -1.363 28.975 30.300 0.063 0.000 0.864 55 R HN 0.447 nan 8.270 nan 0.000 0.440 56 L N 0.802 122.024 121.223 -0.002 0.000 2.017 56 L HA -0.079 4.301 4.340 0.068 0.000 0.208 56 L C 2.135 178.901 176.870 -0.174 0.000 1.073 56 L CA 1.485 56.302 54.840 -0.038 0.000 0.745 56 L CB -0.409 41.611 42.059 -0.066 0.000 0.894 56 L HN 0.054 nan 8.230 nan 0.000 0.432 57 L N -0.766 120.239 121.223 -0.363 0.000 2.046 57 L HA -0.183 4.198 4.340 0.068 0.000 0.208 57 L C 2.710 179.311 176.870 -0.449 0.000 1.077 57 L CA 1.172 55.600 54.840 -0.685 0.000 0.747 57 L CB -0.987 40.383 42.059 -1.150 0.000 0.896 57 L HN 0.369 nan 8.230 nan 0.000 0.432 58 A N -0.850 121.856 122.820 -0.189 0.000 1.883 58 A HA -0.307 4.054 4.320 0.068 0.000 0.217 58 A C 2.217 179.837 177.584 0.060 0.000 1.186 58 A CA 1.961 53.994 52.037 -0.008 0.000 0.624 58 A CB -1.072 17.949 19.000 0.035 0.000 0.822 58 A HN 0.560 nan 8.150 nan 0.000 0.444 59 H N -1.140 117.891 119.070 -0.064 0.000 2.319 59 H HA -0.111 4.487 4.556 0.069 0.000 0.299 59 H C 2.150 177.459 175.328 -0.032 0.000 1.092 59 H CA 1.745 57.773 56.048 -0.034 0.000 1.302 59 H CB -0.118 29.630 29.762 -0.024 0.000 1.373 59 H HN 0.450 nan 8.280 nan 0.000 0.497 60 M N 0.245 119.789 119.600 -0.094 0.000 2.175 60 M HA -0.191 4.330 4.480 0.068 0.000 0.264 60 M C 2.596 178.885 176.300 -0.019 0.000 1.063 60 M CA 1.429 56.647 55.300 -0.138 0.000 1.119 60 M CB -0.187 32.318 32.600 -0.158 0.000 1.377 60 M HN 0.440 nan 8.290 nan 0.000 0.415 61 Q N 0.812 120.621 119.800 0.014 0.000 2.084 61 Q HA -0.215 4.166 4.340 0.068 0.000 0.202 61 Q C 1.576 177.648 176.000 0.120 0.000 0.978 61 Q CA 1.683 57.569 55.803 0.138 0.000 0.844 61 Q CB 0.066 28.952 28.738 0.247 0.000 0.898 61 Q HN 0.543 nan 8.270 nan 0.000 0.426 62 E N -0.126 120.139 120.200 0.108 0.000 2.150 62 E HA -0.150 4.241 4.350 0.068 0.000 0.193 62 E C 1.720 178.377 176.600 0.095 0.000 0.985 62 E CA 0.804 57.268 56.400 0.107 0.000 0.814 62 E CB 0.171 29.943 29.700 0.121 0.000 0.752 62 E HN 0.307 nan 8.360 nan 0.000 0.466 63 E N -0.502 119.744 120.200 0.077 0.000 2.482 63 E HA -0.022 4.369 4.350 0.068 0.000 0.196 63 E C 1.190 177.816 176.600 0.044 0.000 1.047 63 E CA 0.679 57.105 56.400 0.043 0.000 0.869 63 E CB 0.564 30.242 29.700 -0.037 0.000 0.836 63 E HN 0.392 nan 8.360 nan 0.000 0.520 64 G N 0.857 109.696 108.800 0.066 0.000 2.148 64 G HA2 -0.306 3.695 3.960 0.068 0.000 0.254 64 G HA3 -0.306 3.695 3.960 0.068 0.000 0.254 64 G C 1.163 176.121 174.900 0.097 0.000 0.981 64 G CA 0.533 45.683 45.100 0.084 0.000 0.670 64 G HN 0.272 nan 8.290 nan 0.000 0.528 65 V N 0.592 120.555 119.914 0.080 0.000 2.591 65 V HA 0.218 4.379 4.120 0.068 0.000 0.249 65 V C 1.559 177.767 176.094 0.190 0.000 1.053 65 V CA 2.031 64.397 62.300 0.110 0.000 1.068 65 V CB -0.411 31.430 31.823 0.029 0.000 0.689 65 V HN 0.806 nan 8.190 nan 0.000 0.462 66 I N -2.708 117.975 120.570 0.188 0.000 3.042 66 I HA 0.649 4.860 4.170 0.068 0.000 0.310 66 I C -0.609 175.695 176.117 0.311 0.000 1.117 66 I CA -1.188 60.279 61.300 0.278 0.000 1.003 66 I CB 2.380 40.557 38.000 0.295 0.000 1.228 66 I HN -0.215 nan 8.210 nan 0.000 0.443 67 R N 2.100 122.818 120.500 0.363 0.000 2.670 67 R HA 0.441 4.822 4.340 0.068 0.000 0.289 67 R C -0.917 175.579 176.300 0.326 0.000 0.965 67 R CA -1.007 55.275 56.100 0.303 0.000 0.899 67 R CB 2.501 32.914 30.300 0.188 0.000 1.173 67 R HN 0.577 nan 8.270 nan 0.000 0.456 68 K N 2.905 123.380 120.400 0.126 0.000 2.322 68 K HA 0.167 4.527 4.320 0.068 0.000 0.283 68 K C -0.603 175.862 176.600 -0.224 0.000 1.042 68 K CA -0.179 55.876 56.287 -0.387 0.000 0.958 68 K CB 0.548 32.715 32.500 -0.555 0.000 0.984 68 K HN 0.433 nan 8.250 nan 0.000 0.473 69 L N 6.866 127.940 121.223 -0.249 0.000 2.282 69 L HA 0.153 4.534 4.340 0.068 0.000 0.287 69 L C 1.305 178.037 176.870 -0.230 0.000 1.075 69 L CA -0.194 54.566 54.840 -0.132 0.000 0.839 69 L CB 0.632 42.731 42.059 0.066 0.000 1.219 69 L HN 0.718 nan 8.230 nan 0.000 0.434 70 K N 1.810 122.070 120.400 -0.234 0.000 2.362 70 K HA -0.148 4.213 4.320 0.068 0.000 0.200 70 K C 1.641 178.073 176.600 -0.281 0.000 1.046 70 K CA 0.853 57.004 56.287 -0.226 0.000 0.952 70 K CB 0.068 32.469 32.500 -0.164 0.000 0.753 70 K HN 0.381 nan 8.250 nan 0.000 0.466 71 K N 0.038 120.158 120.400 -0.467 0.000 2.283 71 K HA -0.046 4.315 4.320 0.068 0.000 0.202 71 K C -0.341 175.894 176.600 -0.607 0.000 1.048 71 K CA 0.779 56.682 56.287 -0.639 0.000 0.948 71 K CB 0.140 32.066 32.500 -0.957 0.000 0.742 71 K HN 0.117 nan 8.250 nan 0.000 0.458 72 Y N -0.365 119.893 120.300 -0.070 0.000 2.650 72 Y HA 0.216 4.783 4.550 0.028 0.000 0.331 72 Y C -0.347 175.521 175.900 -0.053 0.000 1.082 72 Y CA -2.352 55.725 58.100 -0.040 0.000 1.171 72 Y CB 0.428 38.890 38.460 0.003 0.000 1.326 72 Y HN -0.146 nan 8.280 nan 0.000 0.513 73 D N 1.358 121.860 120.400 0.170 0.000 2.365 73 D HA 0.047 4.728 4.640 0.068 0.000 0.237 73 D C 0.132 176.482 176.300 0.084 0.000 1.190 73 D CA 0.314 54.366 54.000 0.087 0.000 0.867 73 D CB -0.364 40.489 40.800 0.088 0.000 1.050 73 D HN 0.661 nan 8.370 nan 0.000 0.491 74 N N 3.062 121.767 118.700 0.009 0.000 2.738 74 N HA -0.210 4.571 4.740 0.068 0.000 0.249 74 N C -1.153 174.380 175.510 0.038 0.000 1.047 74 N CA 0.119 53.191 53.050 0.036 0.000 0.707 74 N CB -1.114 37.486 38.487 0.190 0.000 0.937 74 N HN 0.315 nan 8.380 nan 0.000 0.545 75 C N 0.340 119.548 119.300 -0.153 0.000 2.454 75 C HA 0.735 5.236 4.460 0.068 0.000 0.336 75 C C -0.091 174.712 174.990 -0.313 0.000 1.189 75 C CA -0.518 58.524 59.018 0.040 0.000 1.877 75 C CB 0.593 28.550 27.740 0.362 0.000 2.348 75 C HN 0.498 nan 8.230 nan 0.000 0.508 76 W N 1.364 122.858 121.300 0.323 0.000 3.033 76 W HA 0.694 5.404 4.660 0.084 0.000 0.336 76 W C -0.908 175.827 176.519 0.360 0.000 1.173 76 W CA -0.674 56.831 57.345 0.267 0.000 1.185 76 W CB 1.078 30.644 29.460 0.177 0.000 1.425 76 W HN 0.353 nan 8.180 nan 0.000 0.536 77 L N 2.603 124.141 121.223 0.525 0.000 2.381 77 L HA 0.907 5.288 4.340 0.068 0.000 0.274 77 L C -0.750 176.354 176.870 0.390 0.000 0.988 77 L CA -0.741 54.360 54.840 0.434 0.000 0.824 77 L CB 1.326 43.567 42.059 0.303 0.000 1.263 77 L HN 0.512 nan 8.230 nan 0.000 0.410 78 A N 6.161 129.209 122.820 0.380 0.000 2.318 78 A HA 0.794 5.155 4.320 0.068 0.000 0.324 78 A C -1.293 176.377 177.584 0.144 0.000 1.170 78 A CA -0.527 51.692 52.037 0.303 0.000 0.810 78 A CB 0.728 19.972 19.000 0.407 0.000 1.198 78 A HN 0.707 nan 8.150 nan 0.000 0.484 79 L N 2.795 124.072 121.223 0.090 0.000 2.313 79 L HA 0.526 4.907 4.340 0.068 0.000 0.283 79 L C 0.732 177.491 176.870 -0.186 0.000 1.013 79 L CA -0.608 54.243 54.840 0.017 0.000 0.816 79 L CB 2.031 44.141 42.059 0.086 0.000 1.236 79 L HN 0.912 nan 8.230 nan 0.000 0.419 80 T N -2.245 112.048 114.554 -0.435 0.000 2.912 80 T HA 0.216 4.607 4.350 0.068 0.000 0.280 80 T C -0.098 174.377 174.700 -0.375 0.000 0.989 80 T CA -0.854 60.647 62.100 -0.998 0.000 0.995 80 T CB 1.776 69.736 68.868 -1.514 0.000 1.077 80 T HN 0.482 nan 8.240 nan 0.000 0.531 81 D N 1.870 122.092 120.400 -0.295 0.000 2.458 81 D HA 0.079 4.760 4.640 0.068 0.000 0.243 81 D C -1.111 175.181 176.300 -0.014 0.000 1.146 81 D CA -1.808 52.192 54.000 0.000 0.000 0.877 81 D CB 1.301 42.219 40.800 0.198 0.000 1.176 81 D HN 0.304 nan 8.370 nan 0.000 0.461 82 P HA -0.096 nan 4.420 nan 0.000 0.228 82 P C 0.723 178.084 177.300 0.102 0.000 1.151 82 P CA 0.723 63.929 63.100 0.177 0.000 0.770 82 P CB 0.213 32.006 31.700 0.154 0.000 0.786 83 R N -0.527 120.012 120.500 0.064 0.000 2.313 83 R HA 0.064 4.445 4.340 0.068 0.000 0.199 83 R C 0.285 176.607 176.300 0.037 0.000 0.958 83 R CA 0.333 56.465 56.100 0.053 0.000 1.047 83 R CB -0.083 30.256 30.300 0.064 0.000 0.955 83 R HN 0.066 nan 8.270 nan 0.000 0.481 84 D N 0.282 120.690 120.400 0.013 0.000 2.443 84 D HA 0.073 4.754 4.640 0.068 0.000 0.281 84 D C 0.344 176.574 176.300 -0.115 0.000 1.210 84 D CA -0.299 53.726 54.000 0.042 0.000 0.875 84 D CB 1.171 42.129 40.800 0.263 0.000 1.125 84 D HN -0.036 nan 8.370 nan 0.000 0.503 85 V N -0.020 119.735 119.914 -0.265 0.000 3.411 85 V HA 0.856 5.017 4.120 0.068 0.000 0.287 85 V C 0.502 176.086 176.094 -0.851 0.000 1.543 85 V CA 0.490 62.466 62.300 -0.540 0.000 1.028 85 V CB -0.012 31.344 31.823 -0.778 0.000 0.840 85 V HN 0.406 nan 8.190 nan 0.000 0.435 86 A N 0.122 122.370 122.820 -0.954 0.000 2.536 86 A HA 0.740 5.101 4.320 0.068 0.000 0.293 86 A C -0.626 176.560 177.584 -0.662 0.000 1.119 86 A CA -1.048 50.259 52.037 -1.216 0.000 0.654 86 A CB 0.862 19.570 19.000 -0.488 0.000 1.291 86 A HN 0.234 nan 8.150 nan 0.000 0.439 87 R N -0.511 119.855 120.500 -0.223 0.000 2.734 87 R HA 0.401 4.782 4.340 0.068 0.000 0.266 87 R C -0.905 175.386 176.300 -0.016 0.000 1.044 87 R CA 0.433 56.581 56.100 0.080 0.000 1.128 87 R CB 0.174 30.581 30.300 0.177 0.000 1.010 87 R HN 0.508 nan 8.270 nan 0.000 0.461 88 I N 2.194 122.786 120.570 0.037 0.000 2.495 88 I HA 0.091 4.302 4.170 0.068 0.000 0.277 88 I C 0.704 176.831 176.117 0.017 0.000 1.045 88 I CA -0.176 61.121 61.300 -0.006 0.000 1.135 88 I CB 1.623 39.634 38.000 0.019 0.000 1.241 88 I HN 0.657 nan 8.210 nan 0.000 0.469 89 E N 2.198 122.379 120.200 -0.031 0.000 2.110 89 E HA -0.187 4.204 4.350 0.068 0.000 0.193 89 E C 2.018 178.639 176.600 0.034 0.000 0.988 89 E CA 1.634 58.034 56.400 0.000 0.000 0.804 89 E CB 0.142 29.845 29.700 0.006 0.000 0.745 89 E HN 0.751 nan 8.360 nan 0.000 0.458 90 S N 0.510 116.222 115.700 0.020 0.000 2.515 90 S HA -0.052 4.458 4.470 0.068 0.000 0.231 90 S C 1.433 176.074 174.600 0.068 0.000 0.987 90 S CA 0.693 58.921 58.200 0.046 0.000 0.936 90 S CB 0.043 63.262 63.200 0.031 0.000 0.766 90 S HN 0.079 nan 8.310 nan 0.000 0.528 91 K N 0.997 121.444 120.400 0.078 0.000 2.455 91 K HA 0.227 4.588 4.320 0.068 0.000 0.206 91 K C -0.705 175.984 176.600 0.148 0.000 1.027 91 K CA -0.045 56.308 56.287 0.111 0.000 1.113 91 K CB 0.987 33.554 32.500 0.112 0.000 0.850 91 K HN 0.197 nan 8.250 nan 0.000 0.503 92 T N 1.686 116.327 114.554 0.145 0.000 2.770 92 T HA 0.382 4.772 4.350 0.068 0.000 0.283 92 T C -0.548 174.264 174.700 0.186 0.000 0.988 92 T CA -0.695 61.524 62.100 0.198 0.000 0.957 92 T CB 1.436 70.413 68.868 0.182 0.000 0.930 92 T HN 0.019 nan 8.240 nan 0.000 0.443 93 V N 1.409 121.465 119.914 0.237 0.000 3.007 93 V HA 0.772 4.933 4.120 0.068 0.000 0.311 93 V C -1.046 175.180 176.094 0.220 0.000 1.120 93 V CA -1.204 61.201 62.300 0.175 0.000 0.980 93 V CB 1.926 33.813 31.823 0.107 0.000 1.033 93 V HN 0.822 nan 8.190 nan 0.000 0.429 94 I N 3.210 123.864 120.570 0.139 0.000 2.433 94 I HA 0.528 4.739 4.170 0.068 0.000 0.292 94 I C -1.151 174.991 176.117 0.042 0.000 1.001 94 I CA -0.653 60.724 61.300 0.129 0.000 1.119 94 I CB 2.074 40.161 38.000 0.145 0.000 1.289 94 I HN 0.501 nan 8.210 nan 0.000 0.438 95 I N 5.471 126.018 120.570 -0.039 0.000 2.321 95 I HA 0.427 4.637 4.170 0.068 0.000 0.291 95 I C 0.329 176.489 176.117 0.071 0.000 0.998 95 I CA 0.155 61.385 61.300 -0.117 0.000 1.227 95 I CB 1.626 39.487 38.000 -0.230 0.000 1.368 95 I HN 0.632 nan 8.210 nan 0.000 0.466 96 T N 0.891 115.604 114.554 0.265 0.000 2.843 96 T HA 0.302 4.693 4.350 0.068 0.000 0.302 96 T C 0.423 175.370 174.700 0.412 0.000 1.232 96 T CA -0.730 61.553 62.100 0.305 0.000 1.009 96 T CB 1.491 70.535 68.868 0.293 0.000 1.254 96 T HN 0.557 nan 8.240 nan 0.000 0.504 97 Q N 0.017 119.962 119.800 0.242 0.000 2.084 97 Q HA -0.071 4.310 4.340 0.068 0.000 0.202 97 Q C -0.143 176.007 176.000 0.249 0.000 0.978 97 Q CA 1.311 57.243 55.803 0.216 0.000 0.844 97 Q CB 0.171 28.977 28.738 0.113 0.000 0.898 97 Q HN 0.622 nan 8.270 nan 0.000 0.426 98 E N 0.218 120.496 120.200 0.130 0.000 2.176 98 E HA 0.027 4.418 4.350 0.068 0.000 0.267 98 E C -0.287 176.080 176.600 -0.388 0.000 0.893 98 E CA -0.240 56.108 56.400 -0.087 0.000 0.761 98 E CB 1.663 31.311 29.700 -0.086 0.000 1.133 98 E HN 0.313 nan 8.360 nan 0.000 0.409 99 Q N 3.173 122.345 119.800 -1.045 0.000 2.112 99 Q HA -0.216 4.165 4.340 0.068 0.000 0.206 99 Q C 1.800 177.399 176.000 -0.669 0.000 0.987 99 Q CA 1.702 56.496 55.803 -1.680 0.000 0.858 99 Q CB 0.125 27.834 28.738 -1.714 0.000 0.905 99 Q HN 0.401 nan 8.270 nan 0.000 0.420 100 R N -0.043 120.211 120.500 -0.410 0.000 2.193 100 R HA -0.132 4.249 4.340 0.068 0.000 0.229 100 R C 1.141 177.365 176.300 -0.126 0.000 1.110 100 R CA 1.448 57.417 56.100 -0.218 0.000 0.988 100 R CB 0.081 30.285 30.300 -0.161 0.000 0.871 100 R HN 0.387 nan 8.270 nan 0.000 0.458 101 D N -0.949 119.387 120.400 -0.107 0.000 2.219 101 D HA -0.088 4.593 4.640 0.068 0.000 0.205 101 D C 1.277 177.612 176.300 0.059 0.000 0.970 101 D CA 1.284 55.280 54.000 -0.006 0.000 0.851 101 D CB 0.153 40.961 40.800 0.014 0.000 0.943 101 D HN 0.219 nan 8.370 nan 0.000 0.488 102 T N -0.222 114.350 114.554 0.029 0.000 3.010 102 T HA 0.096 4.487 4.350 0.068 0.000 0.252 102 T C 0.811 175.543 174.700 0.054 0.000 1.047 102 T CA 0.335 62.502 62.100 0.112 0.000 1.140 102 T CB 0.713 69.732 68.868 0.252 0.000 0.885 102 T HN 0.006 nan 8.240 nan 0.000 0.464 103 V N -0.997 118.906 119.914 -0.019 0.000 2.969 103 V HA 0.570 4.731 4.120 0.068 0.000 0.304 103 V C -3.300 172.748 176.094 -0.076 0.000 1.192 103 V CA -3.120 59.160 62.300 -0.034 0.000 0.962 103 V CB 1.922 33.751 31.823 0.009 0.000 1.045 103 V HN -0.170 nan 8.190 nan 0.000 0.428 104 P HA 0.340 nan 4.420 nan 0.000 0.272 104 P C -0.639 176.609 177.300 -0.086 0.000 1.230 104 P CA -0.205 62.844 63.100 -0.086 0.000 0.788 104 P CB 0.383 32.032 31.700 -0.086 0.000 0.949 105 I N 2.667 123.182 120.570 -0.091 0.000 2.312 105 I HA 0.213 4.423 4.170 0.068 0.000 0.291 105 I C -2.041 174.034 176.117 -0.071 0.000 1.031 105 I CA -2.953 58.298 61.300 -0.082 0.000 1.293 105 I CB 0.243 38.191 38.000 -0.088 0.000 1.403 105 I HN 0.154 nan 8.210 nan 0.000 0.484 106 P HA 0.210 nan 4.420 nan 0.000 0.276 106 P C 0.434 177.702 177.300 -0.052 0.000 1.230 106 P CA -0.427 62.633 63.100 -0.067 0.000 0.776 106 P CB 1.291 32.957 31.700 -0.056 0.000 0.888 107 K N 1.392 121.758 120.400 -0.057 0.000 2.103 107 K HA -0.108 4.253 4.320 0.068 0.000 0.207 107 K C 1.818 178.400 176.600 -0.029 0.000 1.048 107 K CA 2.201 58.464 56.287 -0.042 0.000 0.930 107 K CB -0.277 32.197 32.500 -0.042 0.000 0.716 107 K HN 0.565 nan 8.250 nan 0.000 0.444 108 S N -1.057 114.626 115.700 -0.028 0.000 2.558 108 S HA 0.121 4.632 4.470 0.068 0.000 0.217 108 S C 1.435 176.030 174.600 -0.008 0.000 0.975 108 S CA 0.395 58.585 58.200 -0.016 0.000 0.912 108 S CB 0.517 63.708 63.200 -0.015 0.000 0.776 108 S HN 0.445 nan 8.310 nan 0.000 0.526 109 G N 0.792 109.587 108.800 -0.010 0.000 2.184 109 G HA2 -0.275 3.726 3.960 0.068 0.000 0.264 109 G HA3 -0.275 3.726 3.960 0.068 0.000 0.264 109 G C -0.189 174.717 174.900 0.009 0.000 0.975 109 G CA 0.317 45.417 45.100 0.002 0.000 0.642 109 G HN 0.632 nan 8.290 nan 0.000 0.536 110 Q N 0.946 120.747 119.800 0.003 0.000 2.340 110 Q HA 0.595 4.976 4.340 0.068 0.000 0.259 110 Q C -0.245 175.759 176.000 0.007 0.000 0.964 110 Q CA -0.234 55.575 55.803 0.011 0.000 0.900 110 Q CB 1.622 30.367 28.738 0.011 0.000 1.228 110 Q HN 0.233 nan 8.270 nan 0.000 0.449 111 S N 2.294 118.006 115.700 0.020 0.000 2.554 111 S HA 0.178 4.689 4.470 0.068 0.000 0.278 111 S C 0.323 174.939 174.600 0.027 0.000 1.242 111 S CA -0.566 57.645 58.200 0.018 0.000 1.051 111 S CB 0.964 64.186 63.200 0.037 0.000 0.986 111 S HN 0.589 nan 8.310 nan 0.000 0.502 112 Q N 1.234 121.047 119.800 0.021 0.000 2.118 112 Q HA 0.366 4.747 4.340 0.068 0.000 0.219 112 Q C 0.089 176.113 176.000 0.040 0.000 0.794 112 Q CA 0.077 55.911 55.803 0.051 0.000 1.035 112 Q CB 0.380 29.199 28.738 0.134 0.000 1.177 112 Q HN 0.547 nan 8.270 nan 0.000 0.478 113 L N -0.498 120.736 121.223 0.019 0.000 3.259 113 L HA 0.450 4.831 4.340 0.068 0.000 0.292 113 L C 0.366 177.265 176.870 0.047 0.000 1.219 113 L CA -0.140 54.707 54.840 0.012 0.000 1.035 113 L CB 1.456 43.489 42.059 -0.044 0.000 1.424 113 L HN 0.251 nan 8.230 nan 0.000 0.603 114 G N 0.501 109.331 108.800 0.051 0.000 2.351 114 G HA2 0.071 4.072 3.960 0.068 0.000 0.353 114 G HA3 0.071 4.072 3.960 0.068 0.000 0.353 114 G C -1.558 173.399 174.900 0.095 0.000 1.358 114 G CA -0.937 44.203 45.100 0.067 0.000 0.995 114 G HN -0.047 nan 8.290 nan 0.000 0.611 115 R N -0.739 119.833 120.500 0.120 0.000 2.513 115 R HA 0.483 4.864 4.340 0.068 0.000 0.301 115 R C -1.316 175.119 176.300 0.225 0.000 0.968 115 R CA -0.684 55.510 56.100 0.158 0.000 0.872 115 R CB 2.200 32.575 30.300 0.124 0.000 1.177 115 R HN 0.631 nan 8.270 nan 0.000 0.444 116 W N 5.397 126.730 121.300 0.054 0.000 2.512 116 W HA 0.507 5.208 4.660 0.068 0.000 0.335 116 W C -1.050 175.512 176.519 0.071 0.000 1.088 116 W CA -0.804 56.575 57.345 0.057 0.000 1.236 116 W CB 1.221 30.708 29.460 0.044 0.000 1.307 116 W HN 0.400 nan 8.180 nan 0.000 0.567 117 M N 5.663 124.804 119.600 -0.766 0.000 2.393 117 M HA 0.354 4.875 4.480 0.068 0.000 0.299 117 M C -0.213 175.250 176.300 -1.395 0.000 1.103 117 M CA -0.575 54.217 55.300 -0.845 0.000 0.910 117 M CB 1.733 34.166 32.600 -0.277 0.000 1.659 117 M HN 0.567 nan 8.290 nan 0.000 0.445 118 S N 2.551 117.484 115.700 -1.278 0.000 2.593 118 S HA 0.176 4.687 4.470 0.068 0.000 0.269 118 S C 0.541 174.985 174.600 -0.259 0.000 1.334 118 S CA -0.196 57.555 58.200 -0.748 0.000 1.015 118 S CB 0.798 63.806 63.200 -0.320 0.000 0.912 118 S HN 0.870 nan 8.310 nan 0.000 0.541 119 E N 1.294 121.450 120.200 -0.073 0.000 2.085 119 E HA -0.259 4.132 4.350 0.068 0.000 0.194 119 E C 2.079 178.705 176.600 0.043 0.000 0.994 119 E CA 1.769 58.181 56.400 0.020 0.000 0.801 119 E CB -0.277 29.449 29.700 0.043 0.000 0.743 119 E HN 0.981 nan 8.360 nan 0.000 0.453 120 E N 1.222 121.432 120.200 0.017 0.000 2.106 120 E HA -0.217 4.174 4.350 0.068 0.000 0.192 120 E C 1.369 177.969 176.600 0.001 0.000 0.984 120 E CA 1.451 57.859 56.400 0.014 0.000 0.806 120 E CB -0.101 29.611 29.700 0.020 0.000 0.750 120 E HN 0.098 nan 8.360 nan 0.000 0.458 121 D N 0.212 120.600 120.400 -0.019 0.000 2.144 121 D HA -0.116 4.565 4.640 0.068 0.000 0.200 121 D C 1.534 177.839 176.300 0.009 0.000 0.978 121 D CA 0.745 54.732 54.000 -0.021 0.000 0.833 121 D CB -0.365 40.402 40.800 -0.056 0.000 0.961 121 D HN 0.208 nan 8.370 nan 0.000 0.470 122 F N 1.603 121.504 119.950 -0.081 0.000 2.171 122 F HA -0.136 4.431 4.527 0.067 0.000 0.300 122 F C 2.190 178.007 175.800 0.029 0.000 1.090 122 F CA 1.152 59.133 58.000 -0.031 0.000 1.293 122 F CB 0.055 39.020 39.000 -0.057 0.000 1.013 122 F HN -0.207 nan 8.300 nan 0.000 0.486 123 E N 0.638 120.786 120.200 -0.087 0.000 2.077 123 E HA -0.183 4.208 4.350 0.068 0.000 0.193 123 E C 2.121 178.651 176.600 -0.118 0.000 0.989 123 E CA 1.544 57.868 56.400 -0.127 0.000 0.800 123 E CB -0.161 29.520 29.700 -0.032 0.000 0.746 123 E HN 0.383 nan 8.360 nan 0.000 0.452 124 K N -0.350 119.992 120.400 -0.096 0.000 2.057 124 K HA -0.068 4.293 4.320 0.068 0.000 0.207 124 K C 2.160 178.683 176.600 -0.129 0.000 1.049 124 K CA 1.108 57.346 56.287 -0.082 0.000 0.931 124 K CB -0.210 32.258 32.500 -0.054 0.000 0.714 124 K HN 0.133 nan 8.250 nan 0.000 0.440 125 A N 1.236 123.947 122.820 -0.182 0.000 1.908 125 A HA -0.199 4.162 4.320 0.068 0.000 0.218 125 A C 2.026 179.436 177.584 -0.291 0.000 1.181 125 A CA 1.321 53.230 52.037 -0.212 0.000 0.627 125 A CB -0.747 18.161 19.000 -0.153 0.000 0.818 125 A HN 0.356 nan 8.150 nan 0.000 0.445 126 F N 1.490 121.072 119.950 -0.614 0.000 2.102 126 F HA -0.203 4.365 4.527 0.068 0.000 0.298 126 F C 1.956 177.634 175.800 -0.203 0.000 1.105 126 F CA 2.114 59.839 58.000 -0.457 0.000 1.239 126 F CB -0.210 38.376 39.000 -0.690 0.000 0.991 126 F HN 0.217 nan 8.300 nan 0.000 0.474 127 N N 0.633 119.299 118.700 -0.057 0.000 2.381 127 N HA -0.088 4.693 4.740 0.068 0.000 0.182 127 N C 1.687 177.089 175.510 -0.180 0.000 1.025 127 N CA 1.144 54.145 53.050 -0.082 0.000 0.888 127 N CB -0.624 37.860 38.487 -0.005 0.000 0.965 127 N HN 0.408 nan 8.380 nan 0.000 0.438 128 A N 0.091 122.779 122.820 -0.219 0.000 2.238 128 A HA 0.114 4.475 4.320 0.068 0.000 0.208 128 A C 2.016 179.378 177.584 -0.371 0.000 1.177 128 A CA 0.501 52.399 52.037 -0.232 0.000 0.804 128 A CB 0.111 19.002 19.000 -0.182 0.000 0.823 128 A HN 0.170 nan 8.150 nan 0.000 0.482 129 R N -2.835 117.320 120.500 -0.576 0.000 2.342 129 R HA 0.305 4.686 4.340 0.068 0.000 0.179 129 R C 1.328 177.066 176.300 -0.936 0.000 0.989 129 R CA 0.467 55.896 56.100 -1.117 0.000 1.125 129 R CB -0.188 28.971 30.300 -1.902 0.000 1.211 129 R HN 0.391 nan 8.270 nan 0.000 0.568 130 F N 1.787 121.280 119.950 -0.761 0.000 2.234 130 F HA 0.120 4.687 4.527 0.068 0.000 0.296 130 F C -1.360 174.260 175.800 -0.300 0.000 1.089 130 F CA -0.241 57.445 58.000 -0.524 0.000 1.343 130 F CB -0.822 37.661 39.000 -0.861 0.000 1.040 130 F HN -0.189 nan 8.300 nan 0.000 0.498 131 P HA 0.093 nan 4.420 nan 0.000 0.260 131 P C 0.666 177.937 177.300 -0.049 0.000 1.185 131 P CA 1.505 64.568 63.100 -0.062 0.000 0.763 131 P CB 0.231 31.893 31.700 -0.063 0.000 0.776 132 G N 3.017 111.803 108.800 -0.023 0.000 2.168 132 G HA2 -0.393 3.608 3.960 0.068 0.000 0.263 132 G HA3 -0.393 3.608 3.960 0.068 0.000 0.263 132 G C 1.161 176.045 174.900 -0.026 0.000 0.977 132 G CA 0.319 45.405 45.100 -0.024 0.000 0.659 132 G HN 0.687 nan 8.290 nan 0.000 0.533 133 C N -1.135 118.154 119.300 -0.018 0.000 2.437 133 C HA 0.457 4.958 4.460 0.068 0.000 0.283 133 C C 2.334 177.296 174.990 -0.046 0.000 1.424 133 C CA 1.391 60.397 59.018 -0.019 0.000 1.782 133 C CB -0.687 27.065 27.740 0.021 0.000 1.833 133 C HN 0.487 nan 8.230 nan 0.000 0.532 134 M N 0.218 119.797 119.600 -0.035 0.000 2.419 134 M HA 0.201 4.722 4.480 0.068 0.000 0.252 134 M C 0.466 176.739 176.300 -0.046 0.000 1.143 134 M CA -0.198 55.075 55.300 -0.045 0.000 0.985 134 M CB -0.084 32.495 32.600 -0.036 0.000 1.489 134 M HN 0.090 nan 8.290 nan 0.000 0.484 135 K N 1.307 121.681 120.400 -0.044 0.000 2.491 135 K HA 0.115 4.476 4.320 0.068 0.000 0.279 135 K C 1.113 177.689 176.600 -0.039 0.000 1.026 135 K CA 1.585 57.846 56.287 -0.045 0.000 1.070 135 K CB -0.019 32.459 32.500 -0.036 0.000 0.887 135 K HN 0.436 nan 8.250 nan 0.000 0.481 136 G N 3.233 112.004 108.800 -0.049 0.000 2.179 136 G HA2 -0.294 3.707 3.960 0.068 0.000 0.260 136 G HA3 -0.294 3.707 3.960 0.068 0.000 0.260 136 G C 0.019 174.939 174.900 0.033 0.000 0.977 136 G CA 0.469 45.557 45.100 -0.020 0.000 0.641 136 G HN 0.609 nan 8.290 nan 0.000 0.533 137 R N -0.505 120.007 120.500 0.020 0.000 2.923 137 R HA 0.660 5.041 4.340 0.068 0.000 0.252 137 R C -0.632 175.725 176.300 0.095 0.000 1.130 137 R CA -0.493 55.649 56.100 0.070 0.000 1.043 137 R CB 0.956 31.268 30.300 0.020 0.000 1.205 137 R HN 0.104 nan 8.270 nan 0.000 0.495 138 T N 1.951 116.551 114.554 0.078 0.000 2.799 138 T HA 0.242 4.633 4.350 0.068 0.000 0.286 138 T C -0.059 174.521 174.700 -0.199 0.000 0.973 138 T CA -0.364 61.689 62.100 -0.078 0.000 1.035 138 T CB 0.757 69.416 68.868 -0.349 0.000 0.932 138 T HN 0.332 nan 8.240 nan 0.000 0.469 139 M N 4.888 124.391 119.600 -0.161 0.000 2.105 139 M HA 0.355 4.875 4.480 0.068 0.000 0.350 139 M C -1.502 174.709 176.300 -0.149 0.000 1.308 139 M CA -0.503 54.737 55.300 -0.099 0.000 1.108 139 M CB 0.111 32.661 32.600 -0.083 0.000 1.622 139 M HN 0.570 nan 8.290 nan 0.000 0.468 140 Y N 3.686 124.016 120.300 0.050 0.000 2.308 140 Y HA 0.432 5.025 4.550 0.071 0.000 0.329 140 Y C -0.079 175.865 175.900 0.073 0.000 1.111 140 Y CA -0.624 57.511 58.100 0.060 0.000 1.179 140 Y CB 1.213 39.660 38.460 -0.022 0.000 1.201 140 Y HN 0.355 nan 8.280 nan 0.000 0.483 141 V N 5.736 125.795 119.914 0.242 0.000 2.334 141 V HA 0.311 4.472 4.120 0.068 0.000 0.281 141 V C -0.216 175.991 176.094 0.188 0.000 1.016 141 V CA -0.717 61.685 62.300 0.171 0.000 0.832 141 V CB 0.578 32.465 31.823 0.106 0.000 0.999 141 V HN 0.580 nan 8.190 nan 0.000 0.439 142 I N 7.734 128.421 120.570 0.195 0.000 2.337 142 I HA 0.354 4.565 4.170 0.068 0.000 0.285 142 I C -2.525 173.739 176.117 0.244 0.000 1.041 142 I CA -1.894 59.522 61.300 0.193 0.000 1.199 142 I CB 1.918 40.011 38.000 0.156 0.000 1.370 142 I HN 0.404 nan 8.210 nan 0.000 0.470 143 P HA 0.278 nan 4.420 nan 0.000 0.287 143 P C -1.024 176.357 177.300 0.134 0.000 1.294 143 P CA -0.169 62.965 63.100 0.056 0.000 0.776 143 P CB 0.325 32.018 31.700 -0.013 0.000 0.889 144 F N 0.005 119.946 119.950 -0.015 0.000 2.588 144 F HA 0.801 5.371 4.527 0.071 0.000 0.314 144 F C -0.609 175.201 175.800 0.018 0.000 1.069 144 F CA -1.350 56.647 58.000 -0.005 0.000 0.931 144 F CB 1.533 40.531 39.000 -0.004 0.000 1.260 144 F HN 0.134 nan 8.300 nan 0.000 0.465 145 S N 3.485 119.280 115.700 0.159 0.000 2.473 145 S HA 0.653 5.163 4.470 0.068 0.000 0.307 145 S C -0.785 173.945 174.600 0.217 0.000 1.094 145 S CA -0.791 57.469 58.200 0.101 0.000 1.070 145 S CB 0.652 63.877 63.200 0.042 0.000 1.019 145 S HN 0.609 nan 8.310 nan 0.000 0.480 146 M N 4.151 123.914 119.600 0.271 0.000 2.077 146 M HA 0.497 5.017 4.480 0.068 0.000 0.348 146 M C 0.737 177.043 176.300 0.011 0.000 1.252 146 M CA 0.137 55.545 55.300 0.181 0.000 1.096 146 M CB -0.294 32.537 32.600 0.385 0.000 1.568 146 M HN 1.043 nan 8.290 nan 0.000 0.456 147 G N 5.722 114.453 108.800 -0.114 0.000 2.629 147 G HA2 -0.040 3.960 3.960 0.068 0.000 0.686 147 G HA3 -0.040 3.960 3.960 0.068 0.000 0.686 147 G C -3.332 171.515 174.900 -0.089 0.000 1.232 147 G CA -1.405 43.623 45.100 -0.120 0.000 0.803 147 G HN 0.393 nan 8.290 nan 0.000 0.638 148 P HA 0.213 nan 4.420 nan 0.000 0.266 148 P C 0.863 178.107 177.300 -0.095 0.000 1.195 148 P CA -0.546 62.455 63.100 -0.164 0.000 0.768 148 P CB 0.551 32.121 31.700 -0.217 0.000 0.838 149 L N 3.362 124.534 121.223 -0.085 0.000 2.601 149 L HA 0.004 4.385 4.340 0.068 0.000 0.277 149 L C 1.474 178.315 176.870 -0.050 0.000 1.219 149 L CA 1.897 56.706 54.840 -0.052 0.000 0.915 149 L CB -0.923 41.108 42.059 -0.047 0.000 1.160 149 L HN 0.850 nan 8.230 nan 0.000 0.494 150 G N 2.953 111.733 108.800 -0.033 0.000 2.184 150 G HA2 -0.296 3.705 3.960 0.068 0.000 0.264 150 G HA3 -0.296 3.705 3.960 0.068 0.000 0.264 150 G C 0.405 175.284 174.900 -0.035 0.000 0.975 150 G CA 0.532 45.613 45.100 -0.031 0.000 0.642 150 G HN 1.005 nan 8.290 nan 0.000 0.536 151 S N 0.523 116.199 115.700 -0.041 0.000 2.505 151 S HA 0.549 5.060 4.470 0.068 0.000 0.276 151 S C -0.805 173.775 174.600 -0.033 0.000 1.274 151 S CA -0.561 57.612 58.200 -0.046 0.000 1.053 151 S CB 1.890 65.053 63.200 -0.061 0.000 0.919 151 S HN 0.042 nan 8.310 nan 0.000 0.490 152 P HA -0.087 nan 4.420 nan 0.000 0.224 152 P C 0.903 178.168 177.300 -0.059 0.000 1.142 152 P CA 0.398 63.471 63.100 -0.044 0.000 0.778 152 P CB 0.078 31.747 31.700 -0.051 0.000 0.764 153 L N -2.430 118.759 121.223 -0.056 0.000 2.638 153 L HA 0.413 4.794 4.340 0.068 0.000 0.232 153 L C 0.893 177.786 176.870 0.038 0.000 1.099 153 L CA -0.095 54.696 54.840 -0.082 0.000 0.883 153 L CB -1.223 40.786 42.059 -0.082 0.000 1.136 153 L HN -0.214 nan 8.230 nan 0.000 0.492 154 A N 0.628 123.493 122.820 0.076 0.000 2.280 154 A HA 0.462 4.823 4.320 0.068 0.000 0.268 154 A C -0.087 177.639 177.584 0.238 0.000 1.111 154 A CA -0.176 51.971 52.037 0.184 0.000 0.814 154 A CB 0.412 19.461 19.000 0.082 0.000 1.093 154 A HN 0.302 nan 8.150 nan 0.000 0.498 155 K N 0.119 120.739 120.400 0.368 0.000 2.513 155 K HA 0.512 4.873 4.320 0.068 0.000 0.251 155 K C -1.598 175.160 176.600 0.263 0.000 0.939 155 K CA -0.216 56.294 56.287 0.371 0.000 0.793 155 K CB 2.119 35.002 32.500 0.639 0.000 1.241 155 K HN 0.597 nan 8.250 nan 0.000 0.431 156 I N 1.363 121.965 120.570 0.053 0.000 2.437 156 I HA 0.443 4.654 4.170 0.068 0.000 0.298 156 I C 0.561 176.426 176.117 -0.419 0.000 0.984 156 I CA -0.345 60.851 61.300 -0.173 0.000 1.214 156 I CB 1.854 39.789 38.000 -0.108 0.000 1.365 156 I HN 0.711 nan 8.210 nan 0.000 0.469 157 G N 5.861 114.067 108.800 -0.989 0.000 2.658 157 G HA2 0.722 4.722 3.960 0.068 0.000 0.292 157 G HA3 0.722 4.722 3.960 0.068 0.000 0.292 157 G C -1.207 173.219 174.900 -0.791 0.000 1.320 157 G CA -0.438 44.041 45.100 -1.035 0.000 0.933 157 G HN 0.301 nan 8.290 nan 0.000 0.476 158 I N 0.713 121.157 120.570 -0.210 0.000 2.418 158 I HA 0.359 4.570 4.170 0.068 0.000 0.287 158 I C -0.453 175.921 176.117 0.429 0.000 1.008 158 I CA -0.670 60.675 61.300 0.075 0.000 1.104 158 I CB 1.592 39.590 38.000 -0.004 0.000 1.264 158 I HN 0.662 nan 8.210 nan 0.000 0.438 159 E N 7.249 127.761 120.200 0.520 0.000 2.133 159 E HA 0.545 4.936 4.350 0.068 0.000 0.274 159 E C -1.424 175.359 176.600 0.305 0.000 0.930 159 E CA -0.595 56.057 56.400 0.420 0.000 0.770 159 E CB 1.343 31.197 29.700 0.257 0.000 1.104 159 E HN 0.500 nan 8.360 nan 0.000 0.403 160 L N 3.829 125.221 121.223 0.282 0.000 2.289 160 L HA 0.500 4.881 4.340 0.068 0.000 0.285 160 L C 0.245 177.244 176.870 0.215 0.000 1.049 160 L CA -0.492 54.447 54.840 0.165 0.000 0.804 160 L CB 1.655 43.712 42.059 -0.003 0.000 1.195 160 L HN 0.531 nan 8.230 nan 0.000 0.428 161 T N -0.625 114.064 114.554 0.225 0.000 2.894 161 T HA 0.263 4.654 4.350 0.068 0.000 0.309 161 T C -0.480 174.379 174.700 0.265 0.000 1.208 161 T CA -0.634 61.637 62.100 0.286 0.000 1.016 161 T CB 1.557 70.613 68.868 0.313 0.000 1.192 161 T HN 0.732 nan 8.240 nan 0.000 0.491 162 D N 1.186 121.697 120.400 0.186 0.000 2.342 162 D HA 0.221 4.902 4.640 0.068 0.000 0.221 162 D C 0.367 176.774 176.300 0.178 0.000 1.101 162 D CA -0.177 53.919 54.000 0.160 0.000 0.837 162 D CB 0.249 41.061 40.800 0.020 0.000 0.938 162 D HN 0.243 nan 8.370 nan 0.000 0.508 163 S N 1.211 117.010 115.700 0.165 0.000 2.474 163 S HA 0.348 4.859 4.470 0.068 0.000 0.321 163 S C -1.789 172.723 174.600 -0.146 0.000 1.080 163 S CA -1.507 56.707 58.200 0.022 0.000 1.106 163 S CB 1.573 64.799 63.200 0.044 0.000 0.984 163 S HN -0.158 nan 8.310 nan 0.000 0.464 164 P HA -0.102 nan 4.420 nan 0.000 0.221 164 P C 1.094 178.236 177.300 -0.264 0.000 1.150 164 P CA 0.698 63.500 63.100 -0.496 0.000 0.800 164 P CB -0.097 31.388 31.700 -0.359 0.000 0.787 165 Y N 1.339 121.499 120.300 -0.234 0.000 2.181 165 Y HA -0.195 4.388 4.550 0.055 0.000 0.288 165 Y C 2.176 177.996 175.900 -0.132 0.000 1.146 165 Y CA 1.410 59.434 58.100 -0.126 0.000 1.164 165 Y CB -0.910 37.515 38.460 -0.059 0.000 0.982 165 Y HN -0.300 nan 8.280 nan 0.000 0.515 166 V N -0.806 119.067 119.914 -0.069 0.000 2.358 166 V HA -0.301 3.860 4.120 0.068 0.000 0.246 166 V C 2.339 178.270 176.094 -0.272 0.000 1.047 166 V CA 1.643 63.827 62.300 -0.193 0.000 1.035 166 V CB -0.785 30.939 31.823 -0.165 0.000 0.658 166 V HN 0.371 nan 8.190 nan 0.000 0.452 167 V N 0.517 120.251 119.914 -0.299 0.000 2.287 167 V HA -0.304 3.857 4.120 0.068 0.000 0.248 167 V C 2.732 178.672 176.094 -0.258 0.000 1.053 167 V CA 2.242 64.356 62.300 -0.310 0.000 1.027 167 V CB -1.269 30.250 31.823 -0.506 0.000 0.646 167 V HN 0.565 nan 8.190 nan 0.000 0.447 168 A N -0.350 122.326 122.820 -0.242 0.000 1.902 168 A HA -0.204 4.157 4.320 0.068 0.000 0.217 168 A C 2.468 179.933 177.584 -0.199 0.000 1.181 168 A CA 2.307 54.277 52.037 -0.113 0.000 0.623 168 A CB -0.698 18.270 19.000 -0.054 0.000 0.818 168 A HN 0.524 nan 8.150 nan 0.000 0.443 169 S N -0.474 115.032 115.700 -0.323 0.000 2.383 169 S HA -0.088 4.423 4.470 0.068 0.000 0.227 169 S C 1.971 176.404 174.600 -0.278 0.000 1.026 169 S CA 1.433 59.438 58.200 -0.324 0.000 0.981 169 S CB -0.275 62.642 63.200 -0.472 0.000 0.818 169 S HN 0.459 nan 8.310 nan 0.000 0.472 170 M N 1.127 120.553 119.600 -0.290 0.000 2.229 170 M HA 0.005 4.526 4.480 0.068 0.000 0.264 170 M C 2.182 178.349 176.300 -0.221 0.000 1.063 170 M CA 1.115 56.249 55.300 -0.276 0.000 1.114 170 M CB -1.007 31.423 32.600 -0.284 0.000 1.387 170 M HN 0.281 nan 8.290 nan 0.000 0.420 171 R N 0.496 120.853 120.500 -0.239 0.000 2.096 171 R HA -0.104 4.277 4.340 0.068 0.000 0.235 171 R C 1.968 178.120 176.300 -0.246 0.000 1.127 171 R CA 1.257 57.197 56.100 -0.266 0.000 0.968 171 R CB -0.115 29.912 30.300 -0.455 0.000 0.861 171 R HN 0.319 nan 8.270 nan 0.000 0.440 172 I N 0.000 120.432 120.570 -0.231 0.000 2.277 172 I HA -0.199 4.011 4.170 0.068 0.000 0.243 172 I C 1.908 177.944 176.117 -0.134 0.000 1.094 172 I CA 0.790 61.990 61.300 -0.167 0.000 1.393 172 I CB -0.045 37.884 38.000 -0.119 0.000 1.078 172 I HN 0.171 nan 8.210 nan 0.000 0.417 173 M N 0.245 119.758 119.600 -0.145 0.000 2.541 173 M HA 0.097 4.617 4.480 0.068 0.000 0.252 173 M C 0.867 177.108 176.300 -0.098 0.000 1.125 173 M CA 0.633 55.857 55.300 -0.126 0.000 1.091 173 M CB -1.029 31.468 32.600 -0.171 0.000 1.420 173 M HN 0.334 nan 8.290 nan 0.000 0.486 174 T N -1.748 112.752 114.554 -0.090 0.000 2.838 174 T HA 0.653 5.044 4.350 0.068 0.000 0.292 174 T C -0.500 174.203 174.700 0.004 0.000 1.113 174 T CA -1.001 61.090 62.100 -0.015 0.000 1.008 174 T CB 2.108 70.982 68.868 0.010 0.000 1.259 174 T HN -0.007 nan 8.240 nan 0.000 0.520 175 R N 1.037 121.566 120.500 0.048 0.000 2.216 175 R HA 0.628 5.009 4.340 0.068 0.000 0.332 175 R C -0.048 176.289 176.300 0.062 0.000 1.056 175 R CA -0.335 55.782 56.100 0.029 0.000 0.901 175 R CB 0.393 30.701 30.300 0.012 0.000 1.039 175 R HN 0.809 nan 8.270 nan 0.000 0.456 176 M N 0.815 120.430 119.600 0.025 0.000 2.572 176 M HA 0.863 5.384 4.480 0.068 0.000 0.299 176 M C -0.055 176.259 176.300 0.023 0.000 1.205 176 M CA -0.164 55.166 55.300 0.051 0.000 0.876 176 M CB 2.459 35.098 32.600 0.065 0.000 1.728 176 M HN 0.539 nan 8.290 nan 0.000 0.458 177 G N 0.662 109.485 108.800 0.038 0.000 2.280 177 G HA2 0.010 4.011 3.960 0.068 0.000 0.277 177 G HA3 0.010 4.011 3.960 0.068 0.000 0.277 177 G C -0.029 174.881 174.900 0.017 0.000 1.288 177 G CA -0.171 44.947 45.100 0.030 0.000 1.075 177 G HN 0.910 nan 8.290 nan 0.000 0.480 178 T N 1.056 115.619 114.554 0.014 0.000 2.788 178 T HA -0.089 4.302 4.350 0.068 0.000 0.268 178 T C 2.852 177.549 174.700 -0.005 0.000 1.044 178 T CA 2.981 65.083 62.100 0.004 0.000 1.139 178 T CB -0.548 68.324 68.868 0.006 0.000 0.867 178 T HN 1.450 nan 8.240 nan 0.000 0.454 179 S N 1.281 116.979 115.700 -0.004 0.000 2.399 179 S HA -0.081 4.430 4.470 0.068 0.000 0.231 179 S C 2.122 176.713 174.600 -0.015 0.000 1.022 179 S CA 0.801 58.995 58.200 -0.009 0.000 0.983 179 S CB -0.864 62.331 63.200 -0.009 0.000 0.803 179 S HN 0.327 nan 8.310 nan 0.000 0.480 180 V N 2.034 121.939 119.914 -0.015 0.000 2.358 180 V HA -0.060 4.100 4.120 0.068 0.000 0.246 180 V C 2.528 178.596 176.094 -0.044 0.000 1.047 180 V CA 1.568 63.852 62.300 -0.027 0.000 1.035 180 V CB -0.832 30.979 31.823 -0.021 0.000 0.658 180 V HN 0.452 nan 8.190 nan 0.000 0.452 181 L N -0.281 120.916 121.223 -0.044 0.000 2.083 181 L HA -0.206 4.175 4.340 0.068 0.000 0.209 181 L C 2.556 179.403 176.870 -0.039 0.000 1.083 181 L CA 1.677 56.483 54.840 -0.057 0.000 0.752 181 L CB -0.554 41.476 42.059 -0.048 0.000 0.899 181 L HN 0.399 nan 8.230 nan 0.000 0.433 182 E N -0.062 120.122 120.200 -0.026 0.000 2.106 182 E HA -0.172 4.219 4.350 0.068 0.000 0.192 182 E C 2.299 178.888 176.600 -0.018 0.000 0.984 182 E CA 1.035 57.424 56.400 -0.018 0.000 0.806 182 E CB -0.140 29.552 29.700 -0.013 0.000 0.750 182 E HN 0.493 nan 8.360 nan 0.000 0.458 183 A N 1.064 123.871 122.820 -0.021 0.000 1.969 183 A HA -0.125 4.236 4.320 0.068 0.000 0.218 183 A C 2.116 179.690 177.584 -0.016 0.000 1.169 183 A CA 0.743 52.769 52.037 -0.018 0.000 0.635 183 A CB -0.372 18.616 19.000 -0.020 0.000 0.810 183 A HN 0.207 nan 8.150 nan 0.000 0.445 184 L N -0.571 120.637 121.223 -0.025 0.000 2.017 184 L HA 0.145 4.526 4.340 0.068 0.000 0.208 184 L C 1.759 178.629 176.870 0.000 0.000 1.073 184 L CA 2.005 56.834 54.840 -0.017 0.000 0.745 184 L CB -1.259 40.769 42.059 -0.051 0.000 0.894 184 L HN 0.719 nan 8.230 nan 0.000 0.432 185 G N -0.686 108.109 108.800 -0.008 0.000 2.634 185 G HA2 -0.404 3.597 3.960 0.068 0.000 0.309 185 G HA3 -0.404 3.597 3.960 0.068 0.000 0.309 185 G C 0.482 175.394 174.900 0.020 0.000 1.265 185 G CA 0.466 45.567 45.100 0.003 0.000 0.998 185 G HN 0.404 nan 8.290 nan 0.000 0.551 186 D N 2.333 122.750 120.400 0.029 0.000 2.370 186 D HA 0.346 5.027 4.640 0.068 0.000 0.230 186 D C 1.388 177.724 176.300 0.061 0.000 1.143 186 D CA 0.918 54.946 54.000 0.048 0.000 0.834 186 D CB -0.393 40.428 40.800 0.035 0.000 0.944 186 D HN 0.677 nan 8.370 nan 0.000 0.504 187 G N 0.202 109.039 108.800 0.062 0.000 2.616 187 G HA2 0.142 4.143 3.960 0.068 0.000 0.268 187 G HA3 0.142 4.143 3.960 0.068 0.000 0.268 187 G C 0.177 175.138 174.900 0.101 0.000 1.213 187 G CA -0.485 44.650 45.100 0.058 0.000 0.926 187 G HN 0.016 nan 8.290 nan 0.000 0.523 188 E N -0.894 119.325 120.200 0.031 0.000 2.373 188 E HA 0.423 4.814 4.350 0.068 0.000 0.263 188 E C -0.792 175.814 176.600 0.009 0.000 1.073 188 E CA 0.143 56.505 56.400 -0.063 0.000 0.894 188 E CB 0.978 30.608 29.700 -0.116 0.000 1.008 188 E HN 0.379 nan 8.360 nan 0.000 0.420 189 F N -0.227 119.624 119.950 -0.164 0.000 2.613 189 F HA 0.473 5.041 4.527 0.068 0.000 0.310 189 F C -0.843 174.766 175.800 -0.318 0.000 1.085 189 F CA -1.624 56.228 58.000 -0.247 0.000 0.945 189 F CB 0.411 39.249 39.000 -0.270 0.000 1.298 189 F HN 0.237 nan 8.300 nan 0.000 0.455 190 I N 2.847 123.237 120.570 -0.300 0.000 2.533 190 I HA 0.209 4.420 4.170 0.068 0.000 0.284 190 I C -0.416 175.538 176.117 -0.273 0.000 1.109 190 I CA -0.017 61.041 61.300 -0.403 0.000 1.412 190 I CB 0.488 38.022 38.000 -0.777 0.000 1.396 190 I HN 0.592 nan 8.210 nan 0.000 0.543 191 K N 7.158 127.339 120.400 -0.365 0.000 2.267 191 K HA 0.373 4.734 4.320 0.068 0.000 0.282 191 K C -1.169 175.405 176.600 -0.044 0.000 1.078 191 K CA -0.398 55.589 56.287 -0.500 0.000 0.903 191 K CB 0.391 32.441 32.500 -0.750 0.000 1.111 191 K HN 0.534 nan 8.250 nan 0.000 0.475 192 C N 4.270 123.713 119.300 0.239 0.000 2.319 192 C HA 0.460 4.961 4.460 0.068 0.000 0.323 192 C C -0.770 174.491 174.990 0.452 0.000 1.277 192 C CA -1.037 58.175 59.018 0.323 0.000 1.517 192 C CB 0.004 27.938 27.740 0.323 0.000 2.206 192 C HN 0.676 nan 8.230 nan 0.000 0.486 193 L N 4.857 126.291 121.223 0.351 0.000 2.356 193 L HA 0.611 4.992 4.340 0.068 0.000 0.277 193 L C -0.574 176.515 176.870 0.366 0.000 0.996 193 L CA 0.183 55.203 54.840 0.300 0.000 0.822 193 L CB 0.697 42.856 42.059 0.167 0.000 1.256 193 L HN 0.828 nan 8.230 nan 0.000 0.413 194 H N 3.381 122.616 119.070 0.274 0.000 2.679 194 H HA 0.645 5.241 4.556 0.068 0.000 0.360 194 H C -1.858 173.620 175.328 0.250 0.000 1.105 194 H CA -0.354 55.859 56.048 0.276 0.000 1.196 194 H CB 2.082 31.934 29.762 0.150 0.000 1.636 194 H HN 0.674 nan 8.280 nan 0.000 0.531 195 S N 3.267 118.655 115.700 -0.520 0.000 2.541 195 S HA 0.210 4.721 4.470 0.068 0.000 0.280 195 S C 1.078 175.099 174.600 -0.965 0.000 1.112 195 S CA -0.235 57.588 58.200 -0.627 0.000 0.925 195 S CB 1.224 64.240 63.200 -0.307 0.000 1.067 195 S HN 0.564 nan 8.310 nan 0.000 0.479 196 V N 2.015 121.517 119.914 -0.687 0.000 3.078 196 V HA 0.308 4.469 4.120 0.068 0.000 0.265 196 V C 1.480 177.138 176.094 -0.727 0.000 1.122 196 V CA 1.137 63.101 62.300 -0.559 0.000 1.141 196 V CB -1.499 30.101 31.823 -0.372 0.000 0.735 196 V HN 1.882 nan 8.190 nan 0.000 0.498 197 G N -0.609 107.647 108.800 -0.906 0.000 2.198 197 G HA2 -0.245 3.756 3.960 0.068 0.000 0.257 197 G HA3 -0.245 3.756 3.960 0.068 0.000 0.257 197 G C -0.010 174.655 174.900 -0.392 0.000 1.042 197 G CA 0.040 44.525 45.100 -1.026 0.000 0.791 197 G HN 0.854 nan 8.290 nan 0.000 0.502 198 C N 1.931 121.065 119.300 -0.278 0.000 3.414 198 C HA 0.415 4.916 4.460 0.068 0.000 0.208 198 C C -1.345 173.579 174.990 -0.109 0.000 1.422 198 C CA -1.490 57.434 59.018 -0.157 0.000 1.437 198 C CB 0.442 28.091 27.740 -0.151 0.000 1.850 198 C HN 0.527 nan 8.230 nan 0.000 0.481 199 P HA 0.122 nan 4.420 nan 0.000 0.267 199 P C -0.574 176.701 177.300 -0.043 0.000 1.200 199 P CA 0.500 63.566 63.100 -0.057 0.000 0.772 199 P CB 0.965 32.639 31.700 -0.043 0.000 0.855 200 L N 4.018 125.221 121.223 -0.032 0.000 2.350 200 L HA 0.371 4.752 4.340 0.068 0.000 0.275 200 L C -1.573 175.286 176.870 -0.018 0.000 1.099 200 L CA -2.138 52.690 54.840 -0.020 0.000 0.808 200 L CB 0.353 42.407 42.059 -0.008 0.000 1.149 200 L HN 0.279 nan 8.230 nan 0.000 0.442 201 P HA 0.147 nan 4.420 nan 0.000 0.275 201 P C -0.593 176.698 177.300 -0.014 0.000 1.227 201 P CA -0.422 62.672 63.100 -0.010 0.000 0.781 201 P CB 0.730 32.426 31.700 -0.006 0.000 0.906 202 L N 3.220 124.435 121.223 -0.013 0.000 2.540 202 L HA -0.009 4.372 4.340 0.068 0.000 0.276 202 L C 1.798 178.660 176.870 -0.013 0.000 1.212 202 L CA 0.186 55.016 54.840 -0.017 0.000 0.893 202 L CB 0.135 42.185 42.059 -0.015 0.000 1.138 202 L HN 0.327 nan 8.230 nan 0.000 0.491 203 K N 2.421 122.812 120.400 -0.015 0.000 2.323 203 K HA 0.169 4.530 4.320 0.068 0.000 0.197 203 K C 0.126 176.722 176.600 -0.006 0.000 1.043 203 K CA 0.738 57.020 56.287 -0.010 0.000 0.997 203 K CB 0.345 32.838 32.500 -0.011 0.000 0.807 203 K HN 0.523 nan 8.250 nan 0.000 0.497 204 K N 1.024 121.420 120.400 -0.007 0.000 2.435 204 K HA 0.339 4.700 4.320 0.068 0.000 0.251 204 K C -2.645 173.956 176.600 0.001 0.000 0.954 204 K CA -1.957 54.330 56.287 -0.001 0.000 0.820 204 K CB 1.757 34.257 32.500 0.001 0.000 1.292 204 K HN -0.194 nan 8.250 nan 0.000 0.436 205 P HA -0.052 nan 4.420 nan 0.000 0.264 205 P C -0.855 176.454 177.300 0.015 0.000 1.183 205 P CA -0.293 62.813 63.100 0.011 0.000 0.763 205 P CB 0.338 32.046 31.700 0.013 0.000 0.807 206 L N 5.002 126.235 121.223 0.017 0.000 2.290 206 L HA 0.217 4.598 4.340 0.068 0.000 0.284 206 L C -0.527 176.370 176.870 0.044 0.000 1.078 206 L CA -0.248 54.609 54.840 0.027 0.000 0.815 206 L CB 1.010 43.080 42.059 0.018 0.000 1.162 206 L HN 0.087 nan 8.230 nan 0.000 0.435 207 V N 5.751 125.707 119.914 0.070 0.000 2.398 207 V HA 0.333 4.494 4.120 0.068 0.000 0.286 207 V C 0.490 176.648 176.094 0.107 0.000 1.026 207 V CA -0.642 61.701 62.300 0.071 0.000 0.868 207 V CB 1.004 32.865 31.823 0.062 0.000 0.982 207 V HN 0.953 nan 8.190 nan 0.000 0.443 208 N N 3.673 122.417 118.700 0.074 0.000 2.708 208 N HA -0.235 4.546 4.740 0.068 0.000 0.249 208 N C 0.580 176.180 175.510 0.150 0.000 1.097 208 N CA 0.579 53.681 53.050 0.086 0.000 0.710 208 N CB -0.871 37.650 38.487 0.056 0.000 1.032 208 N HN 0.839 nan 8.380 nan 0.000 0.551 209 N N -1.108 117.667 118.700 0.125 0.000 2.721 209 N HA -0.201 4.580 4.740 0.068 0.000 0.249 209 N C -1.269 174.344 175.510 0.172 0.000 1.072 209 N CA 1.171 54.290 53.050 0.115 0.000 0.710 209 N CB -0.751 37.794 38.487 0.097 0.000 0.993 209 N HN 0.702 nan 8.380 nan 0.000 0.547 210 W N 0.670 121.957 121.300 -0.022 0.000 2.391 210 W HA 0.664 5.363 4.660 0.066 0.000 0.312 210 W C -0.448 176.046 176.519 -0.043 0.000 1.003 210 W CA -0.628 56.693 57.345 -0.041 0.000 1.375 210 W CB 0.469 29.906 29.460 -0.039 0.000 1.253 210 W HN 0.220 nan 8.180 nan 0.000 0.416 211 A N 5.365 127.947 122.820 -0.396 0.000 2.492 211 A HA 0.509 4.870 4.320 0.068 0.000 0.254 211 A C -0.032 177.324 177.584 -0.381 0.000 1.091 211 A CA 0.536 52.385 52.037 -0.314 0.000 0.768 211 A CB -0.348 18.474 19.000 -0.296 0.000 1.028 211 A HN 0.875 nan 8.150 nan 0.000 0.498 212 C N 0.549 119.748 119.300 -0.167 0.000 3.306 212 C HA 0.750 5.251 4.460 0.068 0.000 0.335 212 C C -0.710 174.227 174.990 -0.088 0.000 1.382 212 C CA -1.014 57.940 59.018 -0.106 0.000 1.254 212 C CB 0.848 28.653 27.740 0.107 0.000 1.555 212 C HN 0.900 nan 8.230 nan 0.000 0.463 213 N N 0.753 119.393 118.700 -0.099 0.000 2.727 213 N HA 0.426 5.207 4.740 0.068 0.000 0.252 213 N C -2.279 173.241 175.510 0.016 0.000 1.283 213 N CA -1.243 51.771 53.050 -0.059 0.000 0.782 213 N CB 1.420 39.828 38.487 -0.131 0.000 1.199 213 N HN 0.516 nan 8.380 nan 0.000 0.520 214 P HA -0.095 nan 4.420 nan 0.000 0.217 214 P C 0.555 177.895 177.300 0.067 0.000 1.150 214 P CA 1.115 64.253 63.100 0.063 0.000 0.832 214 P CB 0.368 32.104 31.700 0.061 0.000 0.787 215 E N -0.752 119.484 120.200 0.060 0.000 2.153 215 E HA -0.082 4.309 4.350 0.068 0.000 0.194 215 E C 1.361 178.007 176.600 0.077 0.000 0.988 215 E CA 0.924 57.359 56.400 0.058 0.000 0.811 215 E CB -0.612 29.114 29.700 0.044 0.000 0.746 215 E HN 0.257 nan 8.360 nan 0.000 0.466 216 L N 0.430 121.724 121.223 0.117 0.000 2.769 216 L HA 0.181 4.562 4.340 0.068 0.000 0.240 216 L C 0.107 177.129 176.870 0.254 0.000 1.163 216 L CA -0.302 54.634 54.840 0.161 0.000 0.962 216 L CB 0.324 42.507 42.059 0.207 0.000 1.258 216 L HN -0.101 nan 8.230 nan 0.000 0.513 217 T N 2.277 116.945 114.554 0.190 0.000 2.908 217 T HA 0.243 4.634 4.350 0.068 0.000 0.301 217 T C -0.420 174.407 174.700 0.212 0.000 1.019 217 T CA 0.629 62.849 62.100 0.199 0.000 1.152 217 T CB 0.737 69.688 68.868 0.138 0.000 0.966 217 T HN -0.015 nan 8.240 nan 0.000 0.540 218 L N 5.294 126.679 121.223 0.270 0.000 2.639 218 L HA 0.520 4.901 4.340 0.068 0.000 0.264 218 L C -1.754 175.298 176.870 0.303 0.000 0.948 218 L CA -0.386 54.614 54.840 0.267 0.000 0.912 218 L CB 1.453 43.678 42.059 0.276 0.000 1.294 218 L HN 0.502 nan 8.230 nan 0.000 0.412 219 I N 5.113 125.831 120.570 0.248 0.000 2.371 219 I HA 0.763 4.974 4.170 0.068 0.000 0.282 219 I C 0.244 176.430 176.117 0.116 0.000 1.031 219 I CA -0.048 61.373 61.300 0.201 0.000 1.180 219 I CB 1.529 39.664 38.000 0.224 0.000 1.336 219 I HN 0.690 nan 8.210 nan 0.000 0.467 220 A N 5.103 127.921 122.820 -0.003 0.000 2.340 220 A HA 0.871 5.232 4.320 0.068 0.000 0.331 220 A C -1.063 176.273 177.584 -0.413 0.000 1.140 220 A CA -0.506 51.463 52.037 -0.113 0.000 0.801 220 A CB 0.490 19.388 19.000 -0.171 0.000 1.234 220 A HN 0.688 nan 8.150 nan 0.000 0.469 221 H N 0.504 119.521 119.070 -0.088 0.000 2.689 221 H HA 0.568 5.165 4.556 0.068 0.000 0.346 221 H C -1.360 173.901 175.328 -0.113 0.000 1.037 221 H CA -0.445 55.583 56.048 -0.034 0.000 1.234 221 H CB 1.363 31.161 29.762 0.061 0.000 1.572 221 H HN 0.386 nan 8.280 nan 0.000 0.524 222 L N 5.324 126.531 121.223 -0.026 0.000 2.502 222 L HA 0.290 4.670 4.340 0.068 0.000 0.247 222 L C -1.709 175.161 176.870 -0.000 0.000 1.180 222 L CA -1.170 53.625 54.840 -0.074 0.000 0.956 222 L CB 1.392 43.347 42.059 -0.173 0.000 1.282 222 L HN 0.535 nan 8.230 nan 0.000 0.470 223 P HA -0.138 nan 4.420 nan 0.000 0.218 223 P C 0.465 177.775 177.300 0.016 0.000 1.149 223 P CA 1.163 64.297 63.100 0.057 0.000 0.817 223 P CB 0.443 32.186 31.700 0.073 0.000 0.785 224 D N -0.314 120.090 120.400 0.006 0.000 2.348 224 D HA -0.057 4.624 4.640 0.068 0.000 0.216 224 D C 1.726 178.008 176.300 -0.030 0.000 0.970 224 D CA 0.723 54.718 54.000 -0.009 0.000 0.889 224 D CB -0.122 40.679 40.800 0.003 0.000 0.912 224 D HN 0.315 nan 8.370 nan 0.000 0.524 225 R N -0.087 120.387 120.500 -0.043 0.000 2.437 225 R HA 0.248 4.629 4.340 0.068 0.000 0.257 225 R C 0.028 176.270 176.300 -0.096 0.000 0.927 225 R CA -0.321 55.736 56.100 -0.070 0.000 1.078 225 R CB 0.789 31.044 30.300 -0.075 0.000 1.161 225 R HN -0.059 nan 8.270 nan 0.000 0.529 226 R N 1.564 122.023 120.500 -0.068 0.000 3.333 226 R HA -0.191 4.190 4.340 0.068 0.000 0.256 226 R C -1.097 175.136 176.300 -0.112 0.000 1.010 226 R CA 0.908 56.962 56.100 -0.076 0.000 0.680 226 R CB -1.810 28.408 30.300 -0.137 0.000 1.102 226 R HN 0.399 nan 8.270 nan 0.000 0.440 227 E N 0.262 120.424 120.200 -0.062 0.000 2.266 227 E HA 0.565 4.956 4.350 0.068 0.000 0.268 227 E C -0.399 176.196 176.600 -0.008 0.000 0.879 227 E CA -0.907 55.461 56.400 -0.054 0.000 0.762 227 E CB 2.053 31.716 29.700 -0.062 0.000 1.199 227 E HN 0.114 nan 8.360 nan 0.000 0.422 228 I N 3.286 123.871 120.570 0.026 0.000 2.436 228 I HA 0.437 4.648 4.170 0.068 0.000 0.289 228 I C -0.767 175.385 176.117 0.058 0.000 1.010 228 I CA -0.576 60.728 61.300 0.006 0.000 1.098 228 I CB 1.402 39.443 38.000 0.069 0.000 1.266 228 I HN 0.340 nan 8.210 nan 0.000 0.434 229 I N 4.914 125.507 120.570 0.038 0.000 2.468 229 I HA 0.305 4.516 4.170 0.068 0.000 0.284 229 I C -0.475 175.835 176.117 0.323 0.000 1.038 229 I CA -0.234 61.181 61.300 0.192 0.000 1.083 229 I CB 1.971 40.121 38.000 0.251 0.000 1.223 229 I HN 0.446 nan 8.210 nan 0.000 0.443 230 S N 6.655 122.623 115.700 0.447 0.000 2.561 230 S HA 0.684 5.195 4.470 0.068 0.000 0.303 230 S C -1.350 173.592 174.600 0.570 0.000 1.110 230 S CA -0.374 58.104 58.200 0.464 0.000 1.034 230 S CB 1.015 64.442 63.200 0.380 0.000 1.010 230 S HN 0.399 nan 8.310 nan 0.000 0.482 231 F N 3.599 123.699 119.950 0.251 0.000 2.540 231 F HA 0.663 5.233 4.527 0.071 0.000 0.317 231 F C 0.875 176.657 175.800 -0.030 0.000 1.104 231 F CA 0.559 58.536 58.000 -0.038 0.000 0.913 231 F CB 1.729 40.593 39.000 -0.226 0.000 1.170 231 F HN 0.844 nan 8.300 nan 0.000 0.450 232 G N 2.684 111.111 108.800 -0.622 0.000 2.213 232 G HA2 -0.174 3.827 3.960 0.068 0.000 0.236 232 G HA3 -0.174 3.827 3.960 0.068 0.000 0.236 232 G C -0.126 174.705 174.900 -0.116 0.000 0.991 232 G CA 0.119 44.961 45.100 -0.431 0.000 0.629 232 G HN 1.062 nan 8.290 nan 0.000 0.517 233 S N -0.385 115.343 115.700 0.047 0.000 2.521 233 S HA 0.647 5.158 4.470 0.068 0.000 0.295 233 S C 1.135 175.916 174.600 0.301 0.000 1.098 233 S CA 0.710 59.029 58.200 0.197 0.000 0.999 233 S CB 1.531 64.877 63.200 0.243 0.000 1.034 233 S HN 1.305 nan 8.310 nan 0.000 0.483 234 G N 2.340 111.327 108.800 0.311 0.000 2.887 234 G HA2 0.089 4.090 3.960 0.068 0.000 0.211 234 G HA3 0.089 4.090 3.960 0.068 0.000 0.211 234 G C 0.182 175.348 174.900 0.443 0.000 1.152 234 G CA -0.126 45.140 45.100 0.277 0.000 0.769 234 G HN 0.739 nan 8.290 nan 0.000 0.541 235 Y N 2.184 122.705 120.300 0.368 0.000 2.712 235 Y HA 0.293 4.881 4.550 0.063 0.000 0.333 235 Y C 1.596 177.620 175.900 0.207 0.000 1.225 235 Y CA -0.073 58.199 58.100 0.285 0.000 1.499 235 Y CB 1.116 39.680 38.460 0.173 0.000 1.288 235 Y HN -0.034 nan 8.280 nan 0.000 0.575 236 G N 3.892 112.246 108.800 -0.744 0.000 2.469 236 G HA2 -0.307 3.694 3.960 0.068 0.000 0.219 236 G HA3 -0.307 3.694 3.960 0.068 0.000 0.219 236 G C 1.593 176.036 174.900 -0.760 0.000 1.150 236 G CA 0.739 45.353 45.100 -0.810 0.000 0.763 236 G HN 1.008 nan 8.290 nan 0.000 0.561 237 G N 0.249 108.578 108.800 -0.784 0.000 2.470 237 G HA2 -0.157 3.844 3.960 0.068 0.000 0.220 237 G HA3 -0.157 3.844 3.960 0.068 0.000 0.220 237 G C 1.588 176.533 174.900 0.075 0.000 1.121 237 G CA 1.043 46.074 45.100 -0.115 0.000 0.766 237 G HN 0.596 nan 8.290 nan 0.000 0.553 238 N N -0.388 118.389 118.700 0.129 0.000 2.388 238 N HA 0.022 4.803 4.740 0.068 0.000 0.176 238 N C 2.052 177.607 175.510 0.075 0.000 1.062 238 N CA 0.784 53.943 53.050 0.182 0.000 0.895 238 N CB 0.312 38.967 38.487 0.280 0.000 1.018 238 N HN 0.407 nan 8.380 nan 0.000 0.456 239 S N -0.088 115.560 115.700 -0.088 0.000 2.524 239 S HA 0.214 4.725 4.470 0.068 0.000 0.222 239 S C 0.473 174.860 174.600 -0.355 0.000 1.040 239 S CA -0.421 57.579 58.200 -0.334 0.000 0.915 239 S CB 0.001 62.936 63.200 -0.442 0.000 0.831 239 S HN 0.025 nan 8.310 nan 0.000 0.492 240 L N 3.127 124.166 121.223 -0.307 0.000 2.375 240 L HA 0.383 4.764 4.340 0.068 0.000 0.276 240 L C 0.753 177.485 176.870 -0.230 0.000 1.162 240 L CA -0.293 54.346 54.840 -0.334 0.000 0.991 240 L CB 0.336 42.136 42.059 -0.431 0.000 1.315 240 L HN 0.247 nan 8.230 nan 0.000 0.431 241 L N 1.760 122.867 121.223 -0.193 0.000 2.478 241 L HA -0.004 4.377 4.340 0.068 0.000 0.223 241 L C 2.341 179.254 176.870 0.071 0.000 1.140 241 L CA 0.709 55.538 54.840 -0.018 0.000 0.842 241 L CB -0.350 41.748 42.059 0.064 0.000 0.953 241 L HN 0.758 nan 8.230 nan 0.000 0.452 242 G N 0.099 108.817 108.800 -0.137 0.000 2.484 242 G HA2 -0.195 3.806 3.960 0.068 0.000 0.218 242 G HA3 -0.195 3.806 3.960 0.068 0.000 0.218 242 G C 1.570 176.608 174.900 0.230 0.000 1.130 242 G CA 0.323 45.512 45.100 0.148 0.000 0.784 242 G HN 0.275 nan 8.290 nan 0.000 0.543 243 K N 0.029 120.453 120.400 0.039 0.000 2.074 243 K HA 0.089 4.450 4.320 0.068 0.000 0.214 243 K C 2.363 178.977 176.600 0.022 0.000 1.029 243 K CA 0.298 56.578 56.287 -0.012 0.000 0.966 243 K CB -0.028 32.388 32.500 -0.141 0.000 0.945 243 K HN -0.151 nan 8.250 nan 0.000 0.453 244 K N 0.706 121.102 120.400 -0.008 0.000 2.062 244 K HA -0.052 4.309 4.320 0.068 0.000 0.205 244 K C 2.352 179.060 176.600 0.180 0.000 1.051 244 K CA 1.163 57.443 56.287 -0.011 0.000 0.941 244 K CB -0.786 31.761 32.500 0.078 0.000 0.719 244 K HN 0.371 nan 8.250 nan 0.000 0.440 245 C N 0.559 120.033 119.300 0.291 0.000 2.436 245 C HA -0.077 4.424 4.460 0.068 0.000 0.277 245 C C 2.582 177.864 174.990 0.486 0.000 1.241 245 C CA 0.300 59.609 59.018 0.485 0.000 1.721 245 C CB -0.898 27.091 27.740 0.415 0.000 2.043 245 C HN 0.375 nan 8.230 nan 0.000 0.472 246 F N 1.980 122.092 119.950 0.271 0.000 2.164 246 F HA 0.261 4.828 4.527 0.067 0.000 0.287 246 F C 2.333 178.342 175.800 0.349 0.000 1.086 246 F CA 1.344 59.527 58.000 0.305 0.000 1.249 246 F CB -0.878 38.336 39.000 0.355 0.000 1.059 246 F HN 0.086 nan 8.300 nan 0.000 0.490 247 A N -0.081 122.882 122.820 0.239 0.000 2.167 247 A HA 0.098 4.459 4.320 0.068 0.000 0.214 247 A C 2.006 179.783 177.584 0.321 0.000 1.151 247 A CA 1.221 53.436 52.037 0.297 0.000 0.735 247 A CB -0.668 18.484 19.000 0.254 0.000 0.802 247 A HN 0.497 nan 8.150 nan 0.000 0.467 248 L N -2.227 119.084 121.223 0.147 0.000 2.453 248 L HA 0.128 4.509 4.340 0.068 0.000 0.190 248 L C 2.673 179.607 176.870 0.108 0.000 1.093 248 L CA 0.199 55.100 54.840 0.103 0.000 0.834 248 L CB -0.444 41.574 42.059 -0.068 0.000 1.090 248 L HN 0.181 nan 8.230 nan 0.000 0.489 249 R N 0.309 120.880 120.500 0.117 0.000 2.057 249 R HA -0.034 4.347 4.340 0.068 0.000 0.229 249 R C 2.194 178.560 176.300 0.109 0.000 1.136 249 R CA 1.093 57.240 56.100 0.078 0.000 0.952 249 R CB -0.204 30.018 30.300 -0.130 0.000 0.848 249 R HN 0.189 nan 8.270 nan 0.000 0.430 250 I N 1.074 121.747 120.570 0.171 0.000 2.202 250 I HA -0.173 4.038 4.170 0.068 0.000 0.242 250 I C 2.543 178.655 176.117 -0.009 0.000 1.091 250 I CA 1.313 62.715 61.300 0.169 0.000 1.368 250 I CB -1.307 36.936 38.000 0.406 0.000 1.058 250 I HN 0.160 nan 8.210 nan 0.000 0.410 251 A N 1.062 123.789 122.820 -0.156 0.000 1.969 251 A HA -0.175 4.186 4.320 0.068 0.000 0.218 251 A C 2.519 179.834 177.584 -0.447 0.000 1.169 251 A CA 1.971 53.777 52.037 -0.385 0.000 0.635 251 A CB -0.735 17.983 19.000 -0.471 0.000 0.810 251 A HN 0.564 nan 8.150 nan 0.000 0.445 252 S N -0.250 115.359 115.700 -0.152 0.000 2.382 252 S HA -0.204 4.307 4.470 0.068 0.000 0.228 252 S C 2.056 176.617 174.600 -0.066 0.000 1.027 252 S CA 1.262 59.458 58.200 -0.007 0.000 0.991 252 S CB -0.452 62.932 63.200 0.308 0.000 0.823 252 S HN 0.588 nan 8.310 nan 0.000 0.469 253 R N 1.059 121.511 120.500 -0.080 0.000 2.093 253 R HA 0.162 4.543 4.340 0.068 0.000 0.224 253 R C 2.308 178.343 176.300 -0.442 0.000 1.101 253 R CA 0.971 56.878 56.100 -0.321 0.000 0.979 253 R CB -0.527 29.706 30.300 -0.112 0.000 0.877 253 R HN 0.504 nan 8.270 nan 0.000 0.441 254 L N 0.433 121.432 121.223 -0.374 0.000 2.046 254 L HA -0.148 4.233 4.340 0.068 0.000 0.208 254 L C 2.754 179.224 176.870 -0.666 0.000 1.077 254 L CA 1.466 56.084 54.840 -0.368 0.000 0.747 254 L CB -0.644 41.292 42.059 -0.205 0.000 0.896 254 L HN 0.216 nan 8.230 nan 0.000 0.432 255 A N -0.033 122.060 122.820 -1.211 0.000 1.902 255 A HA -0.244 4.117 4.320 0.068 0.000 0.217 255 A C 2.447 179.482 177.584 -0.914 0.000 1.181 255 A CA 1.847 52.817 52.037 -1.778 0.000 0.623 255 A CB -0.493 17.508 19.000 -1.665 0.000 0.818 255 A HN 0.276 nan 8.150 nan 0.000 0.443 256 K N 0.168 120.045 120.400 -0.872 0.000 2.057 256 K HA -0.194 4.167 4.320 0.068 0.000 0.207 256 K C 1.697 177.890 176.600 -0.678 0.000 1.049 256 K CA 1.947 57.550 56.287 -1.139 0.000 0.931 256 K CB -0.236 31.560 32.500 -1.174 0.000 0.714 256 K HN 0.658 nan 8.250 nan 0.000 0.440 257 E N -0.040 119.866 120.200 -0.490 0.000 2.208 257 E HA -0.121 4.270 4.350 0.068 0.000 0.193 257 E C 1.221 177.734 176.600 -0.146 0.000 0.988 257 E CA 0.977 57.214 56.400 -0.272 0.000 0.828 257 E CB 0.192 29.760 29.700 -0.220 0.000 0.763 257 E HN 0.425 nan 8.360 nan 0.000 0.478 258 E N -1.253 118.867 120.200 -0.133 0.000 2.526 258 E HA 0.151 4.542 4.350 0.068 0.000 0.208 258 E C 0.624 177.339 176.600 0.193 0.000 0.997 258 E CA 0.269 56.715 56.400 0.076 0.000 0.961 258 E CB 1.412 31.270 29.700 0.263 0.000 1.030 258 E HN 0.268 nan 8.360 nan 0.000 0.483 259 G N 1.458 110.332 108.800 0.123 0.000 2.144 259 G HA2 -0.173 3.828 3.960 0.068 0.000 0.218 259 G HA3 -0.173 3.828 3.960 0.068 0.000 0.218 259 G C -0.083 175.003 174.900 0.310 0.000 0.988 259 G CA 0.201 45.444 45.100 0.237 0.000 0.659 259 G HN 0.231 nan 8.290 nan 0.000 0.522 260 W N -0.808 120.536 121.300 0.072 0.000 3.330 260 W HA 0.863 5.564 4.660 0.067 0.000 0.364 260 W C -0.628 175.921 176.519 0.050 0.000 1.369 260 W CA -1.623 55.727 57.345 0.009 0.000 1.094 260 W CB 0.565 29.989 29.460 -0.061 0.000 1.857 260 W HN 0.115 nan 8.180 nan 0.000 0.646 261 L N 1.165 122.528 121.223 0.233 0.000 2.431 261 L HA 0.692 5.072 4.340 0.068 0.000 0.266 261 L C -0.551 176.459 176.870 0.233 0.000 0.978 261 L CA -0.978 53.907 54.840 0.075 0.000 0.822 261 L CB 1.889 43.926 42.059 -0.037 0.000 1.310 261 L HN 0.574 nan 8.230 nan 0.000 0.409 262 A N 2.552 125.463 122.820 0.151 0.000 2.311 262 A HA 0.843 5.204 4.320 0.068 0.000 0.306 262 A C -0.898 176.935 177.584 0.414 0.000 1.189 262 A CA -0.485 51.746 52.037 0.324 0.000 0.791 262 A CB 1.001 20.022 19.000 0.034 0.000 1.172 262 A HN 0.598 nan 8.150 nan 0.000 0.481 263 E N 0.685 121.162 120.200 0.462 0.000 2.393 263 E HA 0.192 4.583 4.350 0.068 0.000 0.273 263 E C -1.125 175.687 176.600 0.353 0.000 0.918 263 E CA -0.597 56.077 56.400 0.457 0.000 0.773 263 E CB 1.544 31.576 29.700 0.553 0.000 1.275 263 E HN 0.800 nan 8.360 nan 0.000 0.451 264 H N 2.209 121.391 119.070 0.186 0.000 2.799 264 H HA 0.319 4.915 4.556 0.067 0.000 0.225 264 H C -0.680 174.695 175.328 0.079 0.000 1.904 264 H CA -0.016 56.069 56.048 0.061 0.000 1.344 264 H CB -0.088 29.704 29.762 0.050 0.000 1.744 264 H HN 0.182 nan 8.280 nan 0.000 0.542 265 M N 3.928 123.596 119.600 0.114 0.000 2.393 265 M HA 0.171 4.692 4.480 0.068 0.000 0.299 265 M C -0.732 175.557 176.300 -0.019 0.000 1.103 265 M CA -1.307 53.992 55.300 -0.003 0.000 0.910 265 M CB 2.586 35.238 32.600 0.087 0.000 1.659 265 M HN 0.300 nan 8.290 nan 0.000 0.445 266 L N 1.527 122.685 121.223 -0.108 0.000 2.472 266 L HA 0.647 5.028 4.340 0.068 0.000 0.260 266 L C -0.941 175.931 176.870 0.003 0.000 1.209 266 L CA 0.194 55.005 54.840 -0.048 0.000 0.817 266 L CB 0.170 42.173 42.059 -0.094 0.000 1.106 266 L HN 0.569 nan 8.230 nan 0.000 0.479 267 I N 2.488 123.094 120.570 0.061 0.000 2.466 267 I HA 0.505 4.716 4.170 0.068 0.000 0.289 267 I C -0.878 175.331 176.117 0.155 0.000 1.026 267 I CA -0.636 60.733 61.300 0.115 0.000 1.078 267 I CB 1.783 39.861 38.000 0.131 0.000 1.249 267 I HN 0.687 nan 8.210 nan 0.000 0.429 268 L N 3.709 125.040 121.223 0.179 0.000 2.350 268 L HA 1.057 5.438 4.340 0.068 0.000 0.260 268 L C -0.285 176.695 176.870 0.184 0.000 1.015 268 L CA -0.477 54.464 54.840 0.169 0.000 0.821 268 L CB 1.675 43.788 42.059 0.090 0.000 1.370 268 L HN 0.491 nan 8.230 nan 0.000 0.416 269 G N 1.255 110.076 108.800 0.036 0.000 2.379 269 G HA2 0.685 4.686 3.960 0.068 0.000 0.327 269 G HA3 0.685 4.686 3.960 0.068 0.000 0.327 269 G C -1.403 173.429 174.900 -0.114 0.000 1.145 269 G CA -0.566 44.321 45.100 -0.356 0.000 0.905 269 G HN 0.938 nan 8.290 nan 0.000 0.466 270 I N 1.339 121.886 120.570 -0.037 0.000 2.465 270 I HA 0.594 4.805 4.170 0.068 0.000 0.291 270 I C -0.649 175.585 176.117 0.195 0.000 1.014 270 I CA -0.470 60.922 61.300 0.153 0.000 1.093 270 I CB 2.142 40.318 38.000 0.294 0.000 1.267 270 I HN 0.394 nan 8.210 nan 0.000 0.431 271 T N 6.230 120.845 114.554 0.102 0.000 2.807 271 T HA 0.359 4.750 4.350 0.068 0.000 0.279 271 T C -0.296 174.169 174.700 -0.392 0.000 0.993 271 T CA -0.700 61.364 62.100 -0.060 0.000 0.970 271 T CB 1.084 69.907 68.868 -0.074 0.000 0.950 271 T HN 0.745 nan 8.240 nan 0.000 0.441 272 N N 3.163 121.364 118.700 -0.831 0.000 2.364 272 N HA 0.317 5.098 4.740 0.068 0.000 0.264 272 N C -2.307 172.606 175.510 -0.996 0.000 1.263 272 N CA -2.159 49.872 53.050 -1.698 0.000 0.959 272 N CB -0.151 37.158 38.487 -1.964 0.000 1.204 272 N HN 0.091 nan 8.380 nan 0.000 0.550 273 P HA -0.006 nan 4.420 nan 0.000 0.226 273 P C 0.205 177.311 177.300 -0.323 0.000 1.153 273 P CA 1.199 63.995 63.100 -0.506 0.000 0.777 273 P CB 0.144 31.611 31.700 -0.388 0.000 0.794 274 E N -1.501 118.499 120.200 -0.333 0.000 2.489 274 E HA 0.164 4.554 4.350 0.068 0.000 0.193 274 E C 1.218 177.727 176.600 -0.153 0.000 1.057 274 E CA 0.415 56.699 56.400 -0.193 0.000 0.866 274 E CB -0.334 29.275 29.700 -0.151 0.000 0.916 274 E HN 0.138 nan 8.360 nan 0.000 0.500 275 G N 2.264 110.946 108.800 -0.196 0.000 2.157 275 G HA2 -0.321 3.680 3.960 0.068 0.000 0.239 275 G HA3 -0.321 3.680 3.960 0.068 0.000 0.239 275 G C 0.216 175.074 174.900 -0.070 0.000 0.982 275 G CA 0.159 45.185 45.100 -0.123 0.000 0.650 275 G HN 0.202 nan 8.290 nan 0.000 0.527 276 K N 0.709 121.073 120.400 -0.059 0.000 2.276 276 K HA 0.503 4.863 4.320 0.068 0.000 0.283 276 K C 0.077 176.791 176.600 0.190 0.000 1.044 276 K CA -0.323 56.018 56.287 0.090 0.000 0.944 276 K CB 0.429 33.048 32.500 0.200 0.000 1.012 276 K HN 0.205 nan 8.250 nan 0.000 0.472 277 K N 3.833 124.322 120.400 0.149 0.000 2.324 277 K HA 0.328 4.689 4.320 0.068 0.000 0.253 277 K C -1.340 175.279 176.600 0.033 0.000 0.932 277 K CA -0.738 55.611 56.287 0.103 0.000 0.799 277 K CB 1.244 33.730 32.500 -0.022 0.000 1.154 277 K HN 0.487 nan 8.250 nan 0.000 0.425 278 K N 2.545 122.945 120.400 -0.001 0.000 2.426 278 K HA 0.313 4.674 4.320 0.068 0.000 0.251 278 K C -1.474 175.043 176.600 -0.138 0.000 0.941 278 K CA -0.862 55.373 56.287 -0.087 0.000 0.808 278 K CB 1.667 34.030 32.500 -0.229 0.000 1.265 278 K HN 0.371 nan 8.250 nan 0.000 0.432 279 Y N 1.491 121.822 120.300 0.052 0.000 2.342 279 Y HA 0.456 5.046 4.550 0.067 0.000 0.334 279 Y C -0.022 175.915 175.900 0.062 0.000 1.067 279 Y CA -0.688 57.452 58.100 0.067 0.000 1.128 279 Y CB 1.082 39.577 38.460 0.059 0.000 1.200 279 Y HN 0.178 nan 8.280 nan 0.000 0.464 280 L N 2.632 123.983 121.223 0.213 0.000 2.354 280 L HA 0.912 5.293 4.340 0.068 0.000 0.264 280 L C -0.574 176.364 176.870 0.113 0.000 1.008 280 L CA -1.239 53.688 54.840 0.145 0.000 0.819 280 L CB 2.086 44.213 42.059 0.112 0.000 1.339 280 L HN 0.673 nan 8.230 nan 0.000 0.420 281 A N 1.581 124.441 122.820 0.067 0.000 2.355 281 A HA 0.956 5.317 4.320 0.068 0.000 0.324 281 A C -0.870 176.649 177.584 -0.108 0.000 1.117 281 A CA -0.465 51.579 52.037 0.012 0.000 0.785 281 A CB 1.752 20.787 19.000 0.059 0.000 1.254 281 A HN 0.785 nan 8.150 nan 0.000 0.453 282 A N 0.693 123.380 122.820 -0.221 0.000 2.408 282 A HA 0.741 5.102 4.320 0.068 0.000 0.295 282 A C -0.320 176.917 177.584 -0.578 0.000 1.040 282 A CA 0.163 51.910 52.037 -0.485 0.000 0.707 282 A CB 1.109 19.685 19.000 -0.707 0.000 1.235 282 A HN 2.240 nan 8.150 nan 0.000 0.418 283 A N 2.558 125.114 122.820 -0.440 0.000 2.280 283 A HA 0.754 5.115 4.320 0.068 0.000 0.320 283 A C -1.078 176.468 177.584 -0.063 0.000 1.366 283 A CA -0.176 51.752 52.037 -0.182 0.000 0.938 283 A CB -0.339 18.777 19.000 0.194 0.000 1.157 283 A HN 0.631 nan 8.150 nan 0.000 0.536 284 F N 2.120 122.000 119.950 -0.117 0.000 2.546 284 F HA 0.610 5.177 4.527 0.067 0.000 0.320 284 F C -2.305 173.417 175.800 -0.130 0.000 1.076 284 F CA -2.964 54.967 58.000 -0.116 0.000 0.928 284 F CB 1.259 40.197 39.000 -0.102 0.000 1.189 284 F HN 0.277 nan 8.300 nan 0.000 0.465 285 P HA 0.104 nan 4.420 nan 0.000 0.271 285 P C -0.543 176.877 177.300 0.200 0.000 1.244 285 P CA -0.301 62.901 63.100 0.169 0.000 0.793 285 P CB 0.367 32.113 31.700 0.076 0.000 0.984 286 S N 0.626 116.540 115.700 0.356 0.000 2.558 286 S HA 0.234 4.745 4.470 0.068 0.000 0.293 286 S C 0.830 175.517 174.600 0.145 0.000 1.292 286 S CA 0.765 59.160 58.200 0.324 0.000 1.063 286 S CB -0.849 62.554 63.200 0.339 0.000 0.831 286 S HN 0.714 nan 8.310 nan 0.000 0.499 287 A N 1.466 124.356 122.820 0.117 0.000 2.783 287 A HA -0.204 4.157 4.320 0.068 0.000 0.292 287 A C 0.914 178.500 177.584 0.004 0.000 1.495 287 A CA 0.752 52.818 52.037 0.048 0.000 0.787 287 A CB -2.379 16.629 19.000 0.013 0.000 1.017 287 A HN 0.905 nan 8.150 nan 0.000 0.516 288 C N -1.606 117.724 119.300 0.050 0.000 3.255 288 C HA 0.599 5.100 4.460 0.068 0.000 0.282 288 C C 1.902 177.011 174.990 0.198 0.000 1.441 288 C CA 0.249 59.261 59.018 -0.010 0.000 1.785 288 C CB -0.440 27.248 27.740 -0.086 0.000 2.583 288 C HN 2.237 nan 8.230 nan 0.000 0.615 289 G N 1.087 110.061 108.800 0.291 0.000 2.227 289 G HA2 -0.166 3.835 3.960 0.068 0.000 0.168 289 G HA3 -0.166 3.835 3.960 0.068 0.000 0.168 289 G C 0.896 176.077 174.900 0.468 0.000 1.006 289 G CA 0.097 45.425 45.100 0.380 0.000 0.684 289 G HN 0.429 nan 8.290 nan 0.000 0.489 290 K N 0.063 120.701 120.400 0.398 0.000 2.009 290 K HA -0.065 4.296 4.320 0.068 0.000 0.210 290 K C 2.534 179.179 176.600 0.076 0.000 1.049 290 K CA 1.898 58.282 56.287 0.161 0.000 0.929 290 K CB -0.340 32.138 32.500 -0.037 0.000 0.714 290 K HN 0.287 nan 8.250 nan 0.000 0.440 291 T N 1.483 116.064 114.554 0.044 0.000 2.720 291 T HA -0.110 4.281 4.350 0.068 0.000 0.268 291 T C 1.590 176.286 174.700 -0.006 0.000 1.037 291 T CA 1.182 63.258 62.100 -0.040 0.000 1.144 291 T CB -0.240 68.602 68.868 -0.043 0.000 0.864 291 T HN 0.267 nan 8.240 nan 0.000 0.444 292 N N 0.744 119.497 118.700 0.088 0.000 2.244 292 N HA -0.033 4.747 4.740 0.068 0.000 0.183 292 N C 1.799 177.357 175.510 0.080 0.000 1.016 292 N CA 0.799 53.918 53.050 0.115 0.000 0.866 292 N CB -0.170 38.441 38.487 0.205 0.000 0.980 292 N HN 0.230 nan 8.380 nan 0.000 0.430 293 L N 1.238 122.533 121.223 0.120 0.000 2.095 293 L HA 0.075 4.456 4.340 0.068 0.000 0.204 293 L C 2.227 179.128 176.870 0.052 0.000 1.080 293 L CA 1.117 56.029 54.840 0.119 0.000 0.759 293 L CB -0.487 41.750 42.059 0.297 0.000 0.914 293 L HN -0.001 nan 8.230 nan 0.000 0.439 294 A N 0.007 122.833 122.820 0.011 0.000 2.015 294 A HA -0.117 4.244 4.320 0.068 0.000 0.219 294 A C 1.869 179.422 177.584 -0.052 0.000 1.163 294 A CA 1.750 53.770 52.037 -0.027 0.000 0.646 294 A CB -0.621 18.333 19.000 -0.077 0.000 0.806 294 A HN 0.619 nan 8.150 nan 0.000 0.448 295 M N -1.112 118.441 119.600 -0.079 0.000 2.705 295 M HA 0.434 4.955 4.480 0.068 0.000 0.387 295 M C 0.119 176.398 176.300 -0.036 0.000 1.204 295 M CA -0.558 54.696 55.300 -0.078 0.000 0.905 295 M CB -0.380 32.123 32.600 -0.161 0.000 1.394 295 M HN 0.318 nan 8.290 nan 0.000 0.515 296 M N 0.392 119.985 119.600 -0.012 0.000 2.252 296 M HA 0.191 4.712 4.480 0.068 0.000 0.321 296 M C -0.357 175.939 176.300 -0.006 0.000 1.070 296 M CA 0.893 56.190 55.300 -0.005 0.000 1.143 296 M CB 0.192 32.785 32.600 -0.013 0.000 1.498 296 M HN 0.416 nan 8.290 nan 0.000 0.445 297 N N 3.137 121.829 118.700 -0.012 0.000 2.527 297 N HA 0.406 5.187 4.740 0.068 0.000 0.236 297 N C -2.646 172.854 175.510 -0.016 0.000 0.999 297 N CA -1.708 51.336 53.050 -0.010 0.000 0.935 297 N CB 0.894 39.370 38.487 -0.020 0.000 1.132 297 N HN 0.447 nan 8.380 nan 0.000 0.511 298 P HA 0.034 nan 4.420 nan 0.000 0.268 298 P C 0.817 178.104 177.300 -0.023 0.000 1.204 298 P CA -0.107 62.983 63.100 -0.018 0.000 0.768 298 P CB 0.827 32.551 31.700 0.040 0.000 0.842 299 T N 0.128 114.644 114.554 -0.064 0.000 3.023 299 T HA 0.040 4.431 4.350 0.068 0.000 0.266 299 T C 0.820 175.499 174.700 -0.034 0.000 1.093 299 T CA 0.371 62.435 62.100 -0.059 0.000 1.129 299 T CB -0.489 68.321 68.868 -0.097 0.000 0.899 299 T HN 0.176 nan 8.240 nan 0.000 0.491 300 L N 2.867 124.065 121.223 -0.042 0.000 2.418 300 L HA 0.315 4.696 4.340 0.068 0.000 0.274 300 L C -2.300 174.665 176.870 0.159 0.000 1.135 300 L CA -2.197 52.654 54.840 0.019 0.000 0.870 300 L CB 0.229 42.209 42.059 -0.131 0.000 1.154 300 L HN 0.015 nan 8.230 nan 0.000 0.462 301 P HA 0.076 nan 4.420 nan 0.000 0.268 301 P C 0.820 178.209 177.300 0.148 0.000 1.204 301 P CA 0.493 63.658 63.100 0.108 0.000 0.768 301 P CB 0.940 32.676 31.700 0.060 0.000 0.842 302 G N 0.455 109.299 108.800 0.073 0.000 2.268 302 G HA2 -0.224 3.777 3.960 0.068 0.000 0.240 302 G HA3 -0.224 3.777 3.960 0.068 0.000 0.240 302 G C -0.348 174.498 174.900 -0.089 0.000 1.010 302 G CA -0.564 44.517 45.100 -0.031 0.000 0.618 302 G HN 0.391 nan 8.290 nan 0.000 0.516 303 W N 1.358 122.616 121.300 -0.069 0.000 2.251 303 W HA 0.678 5.379 4.660 0.068 0.000 0.329 303 W C 0.690 177.174 176.519 -0.058 0.000 1.234 303 W CA 0.001 57.297 57.345 -0.082 0.000 1.228 303 W CB 0.856 30.264 29.460 -0.087 0.000 1.135 303 W HN 0.171 nan 8.180 nan 0.000 0.576 304 K N 1.862 122.362 120.400 0.166 0.000 2.482 304 K HA 0.625 4.986 4.320 0.068 0.000 0.251 304 K C -1.802 174.862 176.600 0.106 0.000 0.936 304 K CA -0.635 55.708 56.287 0.094 0.000 0.791 304 K CB 1.695 34.211 32.500 0.027 0.000 1.213 304 K HN 0.310 nan 8.250 nan 0.000 0.428 305 V N 3.358 123.320 119.914 0.079 0.000 2.513 305 V HA 0.402 4.563 4.120 0.068 0.000 0.299 305 V C -0.722 175.397 176.094 0.041 0.000 1.035 305 V CA -0.648 61.690 62.300 0.063 0.000 0.889 305 V CB 1.727 33.584 31.823 0.056 0.000 0.988 305 V HN 0.841 nan 8.190 nan 0.000 0.440 306 E N 1.896 122.120 120.200 0.040 0.000 2.266 306 E HA 0.445 4.836 4.350 0.068 0.000 0.268 306 E C -1.381 175.268 176.600 0.082 0.000 0.879 306 E CA -0.536 55.897 56.400 0.055 0.000 0.762 306 E CB 2.334 32.073 29.700 0.065 0.000 1.199 306 E HN 0.707 nan 8.360 nan 0.000 0.422 307 C N 3.532 122.878 119.300 0.078 0.000 2.273 307 C HA 0.356 4.857 4.460 0.068 0.000 0.328 307 C C 1.314 176.400 174.990 0.160 0.000 1.275 307 C CA -0.332 58.737 59.018 0.086 0.000 1.704 307 C CB -0.448 27.302 27.740 0.017 0.000 2.326 307 C HN 0.710 nan 8.230 nan 0.000 0.517 308 V N 5.400 125.448 119.914 0.223 0.000 2.492 308 V HA 0.380 4.541 4.120 0.068 0.000 0.241 308 V C 1.457 177.728 176.094 0.295 0.000 1.041 308 V CA 1.489 63.969 62.300 0.300 0.000 1.057 308 V CB -0.422 31.567 31.823 0.275 0.000 0.711 308 V HN 1.048 nan 8.190 nan 0.000 0.468 309 G N -0.180 108.752 108.800 0.220 0.000 2.677 309 G HA2 0.464 4.465 3.960 0.068 0.000 0.291 309 G HA3 0.464 4.465 3.960 0.068 0.000 0.291 309 G C -0.778 174.205 174.900 0.139 0.000 1.435 309 G CA 0.419 45.660 45.100 0.235 0.000 0.826 309 G HN 0.159 nan 8.290 nan 0.000 0.491 310 D N -1.380 119.107 120.400 0.145 0.000 2.398 310 D HA 0.152 4.833 4.640 0.068 0.000 0.210 310 D C 0.537 176.858 176.300 0.035 0.000 1.094 310 D CA 0.373 54.380 54.000 0.013 0.000 0.839 310 D CB 1.291 42.002 40.800 -0.148 0.000 0.963 310 D HN 0.367 nan 8.370 nan 0.000 0.506 311 D N -0.679 119.770 120.400 0.083 0.000 2.135 311 D HA 0.275 4.956 4.640 0.068 0.000 0.318 311 D C -0.297 176.081 176.300 0.129 0.000 1.109 311 D CA 0.120 54.182 54.000 0.103 0.000 0.952 311 D CB 1.127 42.011 40.800 0.139 0.000 1.816 311 D HN 0.067 nan 8.370 nan 0.000 0.528 312 I N 1.170 121.789 120.570 0.081 0.000 2.582 312 I HA 0.692 4.903 4.170 0.068 0.000 0.292 312 I C -1.095 175.051 176.117 0.049 0.000 1.066 312 I CA -1.147 60.196 61.300 0.071 0.000 1.053 312 I CB 2.297 40.292 38.000 -0.009 0.000 1.241 312 I HN 0.017 nan 8.210 nan 0.000 0.421 313 A N 5.465 128.375 122.820 0.151 0.000 2.371 313 A HA 0.773 5.134 4.320 0.068 0.000 0.311 313 A C -1.955 175.887 177.584 0.429 0.000 1.068 313 A CA -0.381 51.768 52.037 0.187 0.000 0.744 313 A CB 1.043 20.157 19.000 0.189 0.000 1.239 313 A HN 0.606 nan 8.150 nan 0.000 0.435 314 W N 2.092 123.483 121.300 0.151 0.000 2.417 314 W HA 0.700 5.402 4.660 0.070 0.000 0.315 314 W C -0.344 176.251 176.519 0.127 0.000 1.045 314 W CA -1.106 56.373 57.345 0.223 0.000 1.221 314 W CB 1.146 30.701 29.460 0.159 0.000 1.309 314 W HN 0.522 nan 8.180 nan 0.000 0.453 315 M N 3.277 123.099 119.600 0.371 0.000 2.457 315 M HA 0.495 5.016 4.480 0.068 0.000 0.300 315 M C -0.523 175.823 176.300 0.077 0.000 1.141 315 M CA -0.853 54.525 55.300 0.130 0.000 0.901 315 M CB 3.376 36.006 32.600 0.050 0.000 1.687 315 M HN 0.283 nan 8.290 nan 0.000 0.449 316 K N 1.866 122.223 120.400 -0.070 0.000 2.543 316 K HA 0.526 4.887 4.320 0.068 0.000 0.255 316 K C -1.847 174.657 176.600 -0.160 0.000 0.934 316 K CA -0.557 55.699 56.287 -0.052 0.000 0.810 316 K CB 1.988 34.476 32.500 -0.020 0.000 1.315 316 K HN 0.486 nan 8.250 nan 0.000 0.433 317 F N 3.159 123.096 119.950 -0.022 0.000 2.495 317 F HA 0.054 4.622 4.527 0.069 0.000 0.365 317 F C 1.114 176.891 175.800 -0.039 0.000 1.090 317 F CA 0.318 58.292 58.000 -0.044 0.000 1.235 317 F CB 0.485 39.442 39.000 -0.072 0.000 1.119 317 F HN 0.590 nan 8.300 nan 0.000 0.562 318 D N 1.833 122.311 120.400 0.129 0.000 2.478 318 D HA 0.343 5.023 4.640 0.068 0.000 0.269 318 D C 0.930 177.272 176.300 0.070 0.000 1.232 318 D CA -0.343 53.696 54.000 0.064 0.000 1.059 318 D CB 0.310 41.123 40.800 0.022 0.000 1.104 318 D HN 0.455 nan 8.370 nan 0.000 0.566 319 A N -0.811 122.028 122.820 0.031 0.000 2.067 319 A HA -0.165 4.195 4.320 0.068 0.000 0.219 319 A C 1.835 179.426 177.584 0.012 0.000 1.158 319 A CA 1.245 53.291 52.037 0.016 0.000 0.661 319 A CB -0.673 18.329 19.000 0.003 0.000 0.801 319 A HN 0.480 nan 8.150 nan 0.000 0.452 320 Q N -1.574 118.240 119.800 0.022 0.000 2.403 320 Q HA 0.327 4.708 4.340 0.068 0.000 0.203 320 Q C 1.197 177.216 176.000 0.031 0.000 0.932 320 Q CA 0.797 56.611 55.803 0.018 0.000 0.945 320 Q CB 0.219 28.967 28.738 0.017 0.000 1.045 320 Q HN 0.868 nan 8.270 nan 0.000 0.511 321 G N -0.004 108.834 108.800 0.063 0.000 2.175 321 G HA2 -0.239 3.762 3.960 0.068 0.000 0.244 321 G HA3 -0.239 3.762 3.960 0.068 0.000 0.244 321 G C -0.170 174.879 174.900 0.249 0.000 0.982 321 G CA -0.251 44.910 45.100 0.101 0.000 0.641 321 G HN 0.287 nan 8.290 nan 0.000 0.527 322 N N 0.344 119.143 118.700 0.165 0.000 2.497 322 N HA 0.321 5.101 4.740 0.068 0.000 0.268 322 N C 0.037 175.573 175.510 0.044 0.000 1.171 322 N CA -0.222 52.893 53.050 0.107 0.000 0.948 322 N CB 1.647 40.156 38.487 0.036 0.000 1.069 322 N HN 0.277 nan 8.380 nan 0.000 0.460 323 L N 3.979 125.123 121.223 -0.131 0.000 2.407 323 L HA 0.143 4.523 4.340 0.068 0.000 0.282 323 L C 0.219 176.943 176.870 -0.243 0.000 1.110 323 L CA 0.087 54.620 54.840 -0.513 0.000 0.863 323 L CB -0.148 41.548 42.059 -0.604 0.000 1.207 323 L HN 0.246 nan 8.230 nan 0.000 0.454 324 R N 4.519 124.893 120.500 -0.211 0.000 2.368 324 R HA 0.737 5.118 4.340 0.068 0.000 0.302 324 R C -0.661 175.580 176.300 -0.097 0.000 1.002 324 R CA -0.454 55.569 56.100 -0.127 0.000 0.929 324 R CB 1.535 31.775 30.300 -0.099 0.000 1.073 324 R HN 0.724 nan 8.270 nan 0.000 0.464 325 A N 3.962 126.737 122.820 -0.075 0.000 2.365 325 A HA 0.693 5.054 4.320 0.068 0.000 0.318 325 A C -0.234 177.339 177.584 -0.019 0.000 1.091 325 A CA -0.843 51.187 52.037 -0.011 0.000 0.763 325 A CB 0.933 19.942 19.000 0.016 0.000 1.248 325 A HN 0.787 nan 8.150 nan 0.000 0.442 326 I N -0.573 120.016 120.570 0.031 0.000 2.740 326 I HA 0.645 4.856 4.170 0.068 0.000 0.303 326 I C -0.570 175.537 176.117 -0.017 0.000 1.044 326 I CA -0.959 60.338 61.300 -0.004 0.000 1.064 326 I CB 2.240 40.225 38.000 -0.025 0.000 1.249 326 I HN 0.466 nan 8.210 nan 0.000 0.433 327 N N 5.624 124.310 118.700 -0.023 0.000 2.420 327 N HA 0.431 5.212 4.740 0.068 0.000 0.249 327 N C -1.858 173.542 175.510 -0.182 0.000 1.033 327 N CA -2.552 50.473 53.050 -0.042 0.000 0.944 327 N CB 1.150 39.720 38.487 0.138 0.000 1.113 327 N HN 0.477 nan 8.380 nan 0.000 0.502 328 P HA 0.028 nan 4.420 nan 0.000 0.241 328 P C -0.462 176.678 177.300 -0.266 0.000 1.191 328 P CA 0.624 63.373 63.100 -0.584 0.000 0.771 328 P CB 0.530 31.375 31.700 -1.426 0.000 0.929 329 E N 0.051 120.176 120.200 -0.125 0.000 2.280 329 E HA 0.165 4.555 4.350 0.068 0.000 0.261 329 E C 0.219 176.870 176.600 0.085 0.000 1.088 329 E CA -0.434 55.953 56.400 -0.022 0.000 0.915 329 E CB 0.445 30.147 29.700 0.002 0.000 1.141 329 E HN -0.139 nan 8.360 nan 0.000 0.433 330 N N -0.752 117.981 118.700 0.054 0.000 2.171 330 N HA 0.175 4.956 4.740 0.068 0.000 0.212 330 N C -0.696 174.772 175.510 -0.071 0.000 1.184 330 N CA 0.004 53.127 53.050 0.123 0.000 0.888 330 N CB 1.201 39.722 38.487 0.057 0.000 1.038 330 N HN 0.499 nan 8.380 nan 0.000 0.517 331 G N -1.027 107.657 108.800 -0.194 0.000 2.645 331 G HA2 0.493 4.494 3.960 0.068 0.000 0.292 331 G HA3 0.493 4.494 3.960 0.068 0.000 0.292 331 G C -1.846 172.861 174.900 -0.322 0.000 1.415 331 G CA -0.579 44.289 45.100 -0.387 0.000 0.785 331 G HN -0.025 nan 8.290 nan 0.000 0.483 332 F N 0.014 119.996 119.950 0.054 0.000 2.467 332 F HA 0.569 5.134 4.527 0.064 0.000 0.336 332 F C -0.584 175.282 175.800 0.109 0.000 1.123 332 F CA -1.668 56.388 58.000 0.093 0.000 0.964 332 F CB 2.069 41.164 39.000 0.158 0.000 1.136 332 F HN 0.308 nan 8.300 nan 0.000 0.447 333 F N 3.074 123.055 119.950 0.052 0.000 2.319 333 F HA 0.709 5.277 4.527 0.069 0.000 0.356 333 F C 0.248 175.868 175.800 -0.299 0.000 1.100 333 F CA -0.799 57.122 58.000 -0.130 0.000 1.220 333 F CB 0.069 39.002 39.000 -0.112 0.000 1.506 333 F HN 0.489 nan 8.300 nan 0.000 0.512 334 G N 3.021 111.250 108.800 -0.951 0.000 2.389 334 G HA2 0.477 4.478 3.960 0.068 0.000 0.328 334 G HA3 0.477 4.478 3.960 0.068 0.000 0.328 334 G C -0.996 173.136 174.900 -1.279 0.000 1.133 334 G CA -0.733 43.666 45.100 -1.168 0.000 0.891 334 G HN 0.280 nan 8.290 nan 0.000 0.485 335 V N 1.795 121.314 119.914 -0.659 0.000 2.557 335 V HA 0.184 4.345 4.120 0.068 0.000 0.301 335 V C 1.508 177.317 176.094 -0.475 0.000 1.026 335 V CA 0.843 62.866 62.300 -0.462 0.000 1.137 335 V CB 0.676 32.366 31.823 -0.222 0.000 0.917 335 V HN 0.988 nan 8.190 nan 0.000 0.484 336 A N 7.805 130.311 122.820 -0.523 0.000 1.855 336 A HA 0.184 4.545 4.320 0.068 0.000 0.213 336 A C -1.312 175.669 177.584 -1.006 0.000 1.195 336 A CA 0.513 52.064 52.037 -0.810 0.000 0.610 336 A CB -1.066 17.344 19.000 -0.982 0.000 0.837 336 A HN 0.723 nan 8.150 nan 0.000 0.444 337 P HA 0.255 nan 4.420 nan 0.000 0.264 337 P C 0.832 178.053 177.300 -0.133 0.000 1.183 337 P CA 1.950 64.861 63.100 -0.314 0.000 0.763 337 P CB 0.500 32.125 31.700 -0.126 0.000 0.807 338 G N 1.539 110.369 108.800 0.051 0.000 2.241 338 G HA2 -0.217 3.783 3.960 0.068 0.000 0.244 338 G HA3 -0.217 3.783 3.960 0.068 0.000 0.244 338 G C 0.250 175.187 174.900 0.062 0.000 0.998 338 G CA 0.018 45.169 45.100 0.085 0.000 0.621 338 G HN 0.590 nan 8.290 nan 0.000 0.519 339 T N 2.163 116.780 114.554 0.105 0.000 2.779 339 T HA 0.563 4.954 4.350 0.068 0.000 0.296 339 T C 0.435 175.300 174.700 0.275 0.000 0.938 339 T CA 0.844 63.038 62.100 0.158 0.000 1.119 339 T CB 1.214 70.166 68.868 0.140 0.000 0.891 339 T HN 1.401 nan 8.240 nan 0.000 0.526 340 S N 1.689 117.417 115.700 0.047 0.000 2.671 340 S HA 0.440 4.951 4.470 0.068 0.000 0.277 340 S C 1.041 175.602 174.600 -0.064 0.000 1.165 340 S CA -0.903 57.291 58.200 -0.010 0.000 0.822 340 S CB 0.893 64.046 63.200 -0.079 0.000 1.150 340 S HN 0.183 nan 8.310 nan 0.000 0.479 341 V N 1.846 121.718 119.914 -0.069 0.000 2.392 341 V HA -0.214 3.947 4.120 0.068 0.000 0.249 341 V C 2.664 178.697 176.094 -0.101 0.000 1.059 341 V CA 2.593 64.849 62.300 -0.073 0.000 1.051 341 V CB -1.198 30.587 31.823 -0.062 0.000 0.658 341 V HN 1.011 nan 8.190 nan 0.000 0.455 342 K N 0.929 121.247 120.400 -0.135 0.000 2.116 342 K HA -0.131 4.230 4.320 0.068 0.000 0.203 342 K C 2.002 178.448 176.600 -0.256 0.000 1.052 342 K CA 1.779 57.964 56.287 -0.170 0.000 0.952 342 K CB -0.417 31.981 32.500 -0.169 0.000 0.729 342 K HN 0.572 nan 8.250 nan 0.000 0.446 343 T N -2.440 111.892 114.554 -0.371 0.000 3.031 343 T HA 0.047 4.438 4.350 0.068 0.000 0.254 343 T C 0.819 175.370 174.700 -0.247 0.000 1.060 343 T CA 0.359 62.070 62.100 -0.648 0.000 1.135 343 T CB -0.016 68.148 68.868 -1.173 0.000 0.896 343 T HN 0.190 nan 8.240 nan 0.000 0.472 344 N N 1.460 120.078 118.700 -0.135 0.000 2.700 344 N HA 0.277 5.058 4.740 0.068 0.000 0.242 344 N C -2.504 172.977 175.510 -0.048 0.000 1.541 344 N CA -1.720 51.305 53.050 -0.042 0.000 0.764 344 N CB 1.509 40.004 38.487 0.014 0.000 1.319 344 N HN 0.033 nan 8.380 nan 0.000 0.518 345 P HA -0.061 nan 4.420 nan 0.000 0.218 345 P C 0.717 177.990 177.300 -0.045 0.000 1.149 345 P CA 0.952 64.022 63.100 -0.049 0.000 0.817 345 P CB 0.572 32.245 31.700 -0.047 0.000 0.785 346 N N 0.359 119.033 118.700 -0.042 0.000 2.244 346 N HA -0.073 4.708 4.740 0.068 0.000 0.183 346 N C 1.909 177.383 175.510 -0.061 0.000 1.016 346 N CA 1.339 54.364 53.050 -0.042 0.000 0.866 346 N CB -0.739 37.727 38.487 -0.035 0.000 0.980 346 N HN 0.122 nan 8.380 nan 0.000 0.430 347 A N 1.754 124.524 122.820 -0.084 0.000 1.898 347 A HA -0.071 4.290 4.320 0.068 0.000 0.216 347 A C 2.138 179.606 177.584 -0.193 0.000 1.181 347 A CA 0.776 52.717 52.037 -0.160 0.000 0.620 347 A CB -0.394 18.513 19.000 -0.154 0.000 0.819 347 A HN 0.083 nan 8.150 nan 0.000 0.442 348 I N 0.143 120.649 120.570 -0.107 0.000 2.208 348 I HA -0.260 3.951 4.170 0.068 0.000 0.245 348 I C 2.230 178.299 176.117 -0.079 0.000 1.097 348 I CA 1.800 63.056 61.300 -0.074 0.000 1.363 348 I CB -1.203 36.775 38.000 -0.037 0.000 1.051 348 I HN 0.392 nan 8.210 nan 0.000 0.413 349 K N 0.116 120.478 120.400 -0.063 0.000 2.097 349 K HA -0.117 4.244 4.320 0.068 0.000 0.206 349 K C 2.044 178.613 176.600 -0.051 0.000 1.049 349 K CA 1.752 58.012 56.287 -0.045 0.000 0.933 349 K CB -0.271 32.212 32.500 -0.029 0.000 0.717 349 K HN 0.300 nan 8.250 nan 0.000 0.442 350 T N 2.107 116.622 114.554 -0.065 0.000 2.821 350 T HA -0.083 4.308 4.350 0.068 0.000 0.267 350 T C 1.741 176.387 174.700 -0.090 0.000 1.046 350 T CA 1.282 63.351 62.100 -0.052 0.000 1.139 350 T CB -0.212 68.659 68.868 0.005 0.000 0.871 350 T HN 0.390 nan 8.240 nan 0.000 0.454 351 I N -0.783 119.691 120.570 -0.159 0.000 3.735 351 I HA 0.175 4.386 4.170 0.068 0.000 0.310 351 I C 1.687 177.762 176.117 -0.069 0.000 1.270 351 I CA 0.143 61.344 61.300 -0.165 0.000 1.207 351 I CB -0.277 37.547 38.000 -0.294 0.000 1.013 351 I HN -0.032 nan 8.210 nan 0.000 0.452 352 Q N 3.066 122.819 119.800 -0.078 0.000 2.364 352 Q HA -0.003 4.378 4.340 0.068 0.000 0.207 352 Q C 0.275 176.276 176.000 0.002 0.000 0.970 352 Q CA 1.008 56.760 55.803 -0.084 0.000 0.888 352 Q CB -0.049 28.674 28.738 -0.024 0.000 0.951 352 Q HN 0.779 nan 8.270 nan 0.000 0.469 353 K N -1.084 119.335 120.400 0.031 0.000 2.532 353 K HA 0.318 4.679 4.320 0.068 0.000 0.265 353 K C -0.529 176.129 176.600 0.096 0.000 0.948 353 K CA -0.797 55.540 56.287 0.083 0.000 0.842 353 K CB 1.218 33.764 32.500 0.076 0.000 1.392 353 K HN -0.272 nan 8.250 nan 0.000 0.436 354 N N -0.027 118.766 118.700 0.155 0.000 2.735 354 N HA -0.130 4.651 4.740 0.068 0.000 0.248 354 N C -1.268 174.354 175.510 0.187 0.000 1.083 354 N CA 1.497 54.673 53.050 0.212 0.000 0.703 354 N CB -1.330 37.266 38.487 0.180 0.000 1.005 354 N HN 0.784 nan 8.380 nan 0.000 0.550 355 T N 0.728 115.379 114.554 0.162 0.000 2.841 355 T HA 0.655 5.046 4.350 0.068 0.000 0.283 355 T C 0.702 175.444 174.700 0.071 0.000 1.000 355 T CA -0.481 61.622 62.100 0.004 0.000 0.977 355 T CB 1.924 70.654 68.868 -0.231 0.000 0.979 355 T HN 0.058 nan 8.240 nan 0.000 0.446 356 I N 3.238 123.817 120.570 0.015 0.000 2.321 356 I HA 0.422 4.633 4.170 0.068 0.000 0.291 356 I C -0.827 175.295 176.117 0.009 0.000 0.998 356 I CA -0.636 60.759 61.300 0.159 0.000 1.227 356 I CB 0.806 38.901 38.000 0.159 0.000 1.368 356 I HN 0.496 nan 8.210 nan 0.000 0.466 357 F N 3.481 123.610 119.950 0.298 0.000 2.422 357 F HA 0.475 5.062 4.527 0.101 0.000 0.333 357 F C 0.484 176.436 175.800 0.253 0.000 1.095 357 F CA -0.446 57.710 58.000 0.260 0.000 1.038 357 F CB 1.920 41.090 39.000 0.284 0.000 1.156 357 F HN 0.249 nan 8.300 nan 0.000 0.483 358 T N 3.078 117.836 114.554 0.340 0.000 2.840 358 T HA 0.254 4.645 4.350 0.068 0.000 0.287 358 T C -0.327 174.452 174.700 0.132 0.000 0.991 358 T CA -0.797 61.446 62.100 0.238 0.000 0.964 358 T CB 0.846 69.858 68.868 0.240 0.000 0.954 358 T HN 0.617 nan 8.240 nan 0.000 0.438 359 N N 0.240 119.019 118.700 0.132 0.000 2.776 359 N HA -0.137 4.644 4.740 0.068 0.000 0.250 359 N C 0.102 175.709 175.510 0.162 0.000 1.112 359 N CA 1.080 54.208 53.050 0.130 0.000 0.733 359 N CB -1.814 36.595 38.487 -0.130 0.000 1.097 359 N HN 0.681 nan 8.380 nan 0.000 0.558 360 V N -3.109 116.948 119.914 0.239 0.000 3.109 360 V HA 0.924 5.085 4.120 0.068 0.000 0.317 360 V C 0.958 177.202 176.094 0.250 0.000 1.074 360 V CA -0.483 61.982 62.300 0.275 0.000 1.033 360 V CB 1.650 33.725 31.823 0.419 0.000 1.111 360 V HN 0.276 nan 8.190 nan 0.000 0.458 361 A N 0.921 123.862 122.820 0.200 0.000 2.304 361 A HA 0.622 4.983 4.320 0.068 0.000 0.271 361 A C 0.026 177.664 177.584 0.090 0.000 1.091 361 A CA -0.412 51.694 52.037 0.115 0.000 0.812 361 A CB 0.504 19.515 19.000 0.019 0.000 1.056 361 A HN 1.052 nan 8.150 nan 0.000 0.489 362 E N 0.178 120.409 120.200 0.052 0.000 2.210 362 E HA 0.459 4.850 4.350 0.068 0.000 0.266 362 E C -0.288 176.298 176.600 -0.025 0.000 0.883 362 E CA -0.556 55.854 56.400 0.017 0.000 0.761 362 E CB 1.285 31.002 29.700 0.029 0.000 1.156 362 E HN 0.793 nan 8.360 nan 0.000 0.412 363 T N 0.666 115.182 114.554 -0.062 0.000 2.882 363 T HA 0.098 4.488 4.350 0.068 0.000 0.287 363 T C 1.329 175.977 174.700 -0.086 0.000 1.014 363 T CA -0.065 61.971 62.100 -0.108 0.000 1.049 363 T CB 1.433 70.215 68.868 -0.144 0.000 1.001 363 T HN 0.446 nan 8.240 nan 0.000 0.525 364 S N 0.196 115.846 115.700 -0.084 0.000 2.469 364 S HA -0.129 4.382 4.470 0.068 0.000 0.238 364 S C 1.133 175.685 174.600 -0.079 0.000 0.998 364 S CA 0.811 58.970 58.200 -0.067 0.000 0.957 364 S CB -0.605 62.561 63.200 -0.057 0.000 0.764 364 S HN 0.915 nan 8.310 nan 0.000 0.514 365 D N 0.311 120.650 120.400 -0.101 0.000 2.342 365 D HA 0.267 4.948 4.640 0.068 0.000 0.221 365 D C 1.166 177.367 176.300 -0.166 0.000 1.101 365 D CA 0.318 54.247 54.000 -0.119 0.000 0.837 365 D CB -0.556 40.174 40.800 -0.117 0.000 0.938 365 D HN 0.534 nan 8.370 nan 0.000 0.508 366 G N -0.675 108.031 108.800 -0.156 0.000 2.149 366 G HA2 -0.093 3.908 3.960 0.068 0.000 0.235 366 G HA3 -0.093 3.908 3.960 0.068 0.000 0.235 366 G C 0.495 175.224 174.900 -0.284 0.000 1.018 366 G CA -0.132 44.856 45.100 -0.186 0.000 0.728 366 G HN 0.784 nan 8.290 nan 0.000 0.508 367 G N -1.533 107.126 108.800 -0.235 0.000 2.613 367 G HA2 0.901 4.901 3.960 0.068 0.000 0.303 367 G HA3 0.901 4.901 3.960 0.068 0.000 0.303 367 G C 0.220 175.112 174.900 -0.013 0.000 1.312 367 G CA 0.097 45.086 45.100 -0.185 0.000 1.036 367 G HN 1.531 nan 8.290 nan 0.000 0.513 368 V N -2.729 117.204 119.914 0.032 0.000 2.732 368 V HA 0.827 4.988 4.120 0.068 0.000 0.310 368 V C -1.069 174.893 176.094 -0.220 0.000 1.053 368 V CA -1.121 61.080 62.300 -0.166 0.000 0.957 368 V CB 1.456 32.985 31.823 -0.490 0.000 1.018 368 V HN 0.658 nan 8.190 nan 0.000 0.452 369 Y N 2.742 122.825 120.300 -0.361 0.000 2.571 369 Y HA 0.810 5.391 4.550 0.051 0.000 0.341 369 Y C -1.233 174.544 175.900 -0.205 0.000 1.076 369 Y CA -0.927 56.895 58.100 -0.462 0.000 1.029 369 Y CB 2.286 40.592 38.460 -0.257 0.000 1.308 369 Y HN 1.086 nan 8.280 nan 0.000 0.461 370 W N 0.941 122.068 121.300 -0.287 0.000 3.059 370 W HA 0.603 5.290 4.660 0.045 0.000 0.329 370 W C -1.456 174.911 176.519 -0.253 0.000 1.246 370 W CA -1.130 56.095 57.345 -0.201 0.000 1.190 370 W CB 0.176 29.562 29.460 -0.123 0.000 1.423 370 W HN 0.334 nan 8.180 nan 0.000 0.571 371 E N 1.044 121.336 120.200 0.154 0.000 2.529 371 E HA 0.364 4.755 4.350 0.068 0.000 0.259 371 E C 1.203 177.915 176.600 0.187 0.000 0.966 371 E CA 2.522 58.993 56.400 0.119 0.000 0.937 371 E CB 0.156 29.917 29.700 0.102 0.000 0.923 371 E HN 1.169 nan 8.360 nan 0.000 0.468 372 G N 2.978 111.831 108.800 0.088 0.000 2.179 372 G HA2 -0.354 3.647 3.960 0.068 0.000 0.260 372 G HA3 -0.354 3.647 3.960 0.068 0.000 0.260 372 G C 0.923 175.848 174.900 0.041 0.000 0.977 372 G CA 0.316 45.463 45.100 0.079 0.000 0.641 372 G HN 0.620 nan 8.290 nan 0.000 0.533 373 I N 0.242 120.741 120.570 -0.118 0.000 2.454 373 I HA 0.016 4.227 4.170 0.068 0.000 0.254 373 I C 1.349 177.310 176.117 -0.259 0.000 1.156 373 I CA 1.767 62.858 61.300 -0.349 0.000 1.433 373 I CB -0.016 37.303 38.000 -1.136 0.000 1.082 373 I HN 0.261 nan 8.210 nan 0.000 0.432 374 D N 2.253 122.532 120.400 -0.202 0.000 2.723 374 D HA -0.220 4.461 4.640 0.068 0.000 0.236 374 D C -0.521 175.721 176.300 -0.097 0.000 1.138 374 D CA 0.775 54.710 54.000 -0.107 0.000 0.676 374 D CB -0.935 39.813 40.800 -0.086 0.000 1.069 374 D HN 0.608 nan 8.370 nan 0.000 0.430 375 E N 0.329 120.464 120.200 -0.108 0.000 2.255 375 E HA 0.387 4.777 4.350 0.068 0.000 0.256 375 E C -2.357 174.297 176.600 0.090 0.000 0.887 375 E CA -1.790 54.593 56.400 -0.029 0.000 0.782 375 E CB 1.541 31.203 29.700 -0.063 0.000 1.214 375 E HN 0.101 nan 8.360 nan 0.000 0.417 376 P HA 0.091 nan 4.420 nan 0.000 0.269 376 P C -0.660 176.676 177.300 0.061 0.000 1.209 376 P CA -0.001 63.145 63.100 0.077 0.000 0.776 376 P CB 0.650 32.370 31.700 0.033 0.000 0.876 377 L N 1.339 122.580 121.223 0.030 0.000 2.334 377 L HA 0.592 4.973 4.340 0.068 0.000 0.275 377 L C 0.724 177.574 176.870 -0.033 0.000 1.036 377 L CA -1.329 53.493 54.840 -0.031 0.000 0.807 377 L CB 1.217 43.200 42.059 -0.126 0.000 1.231 377 L HN 0.381 nan 8.230 nan 0.000 0.438 378 A N 3.107 125.904 122.820 -0.039 0.000 2.531 378 A HA 0.326 4.687 4.320 0.068 0.000 0.236 378 A C -2.233 175.326 177.584 -0.041 0.000 1.062 378 A CA -0.776 51.240 52.037 -0.036 0.000 0.760 378 A CB -0.759 18.219 19.000 -0.037 0.000 0.995 378 A HN 0.442 nan 8.150 nan 0.000 0.501 379 P HA 0.273 nan 4.420 nan 0.000 0.265 379 P C 1.099 178.376 177.300 -0.038 0.000 1.193 379 P CA 1.657 64.737 63.100 -0.034 0.000 0.765 379 P CB 0.647 32.331 31.700 -0.028 0.000 0.823 380 G N 1.036 109.810 108.800 -0.042 0.000 2.258 380 G HA2 -0.225 3.776 3.960 0.068 0.000 0.233 380 G HA3 -0.225 3.776 3.960 0.068 0.000 0.233 380 G C 0.086 174.956 174.900 -0.050 0.000 1.006 380 G CA -0.123 44.952 45.100 -0.042 0.000 0.620 380 G HN 0.552 nan 8.290 nan 0.000 0.511 381 V N 3.117 122.995 119.914 -0.061 0.000 2.572 381 V HA 0.520 4.681 4.120 0.068 0.000 0.291 381 V C 1.125 177.168 176.094 -0.085 0.000 1.039 381 V CA 0.799 63.052 62.300 -0.078 0.000 1.055 381 V CB 0.974 32.739 31.823 -0.096 0.000 0.969 381 V HN 0.809 nan 8.190 nan 0.000 0.482 382 T N 3.295 117.804 114.554 -0.075 0.000 2.949 382 T HA 0.820 5.211 4.350 0.068 0.000 0.287 382 T C -0.618 174.047 174.700 -0.059 0.000 1.034 382 T CA -0.789 61.278 62.100 -0.055 0.000 1.018 382 T CB 1.880 70.731 68.868 -0.029 0.000 1.135 382 T HN 0.303 nan 8.240 nan 0.000 0.532 383 I N 0.888 121.461 120.570 0.005 0.000 2.498 383 I HA 0.363 4.574 4.170 0.068 0.000 0.290 383 I C -0.271 175.909 176.117 0.104 0.000 1.032 383 I CA -0.775 60.546 61.300 0.035 0.000 1.073 383 I CB 2.482 40.554 38.000 0.119 0.000 1.251 383 I HN 0.668 nan 8.210 nan 0.000 0.426 384 T N 4.288 118.877 114.554 0.059 0.000 2.749 384 T HA 0.279 4.669 4.350 0.068 0.000 0.287 384 T C 0.284 175.019 174.700 0.057 0.000 0.970 384 T CA -0.589 61.551 62.100 0.067 0.000 0.980 384 T CB 1.026 69.917 68.868 0.038 0.000 0.924 384 T HN 0.740 nan 8.240 nan 0.000 0.456 385 S N 3.889 119.626 115.700 0.062 0.000 2.606 385 S HA 0.097 4.608 4.470 0.068 0.000 0.257 385 S C 1.594 176.216 174.600 0.036 0.000 1.327 385 S CA -0.894 57.300 58.200 -0.010 0.000 0.984 385 S CB 0.320 63.498 63.200 -0.038 0.000 0.941 385 S HN 0.916 nan 8.310 nan 0.000 0.576 386 W N 0.527 121.803 121.300 -0.039 0.000 2.538 386 W HA 0.035 4.722 4.660 0.044 0.000 0.254 386 W C 0.434 176.955 176.519 0.003 0.000 1.249 386 W CA 0.632 57.977 57.345 -0.001 0.000 1.253 386 W CB -0.829 28.640 29.460 0.014 0.000 1.130 386 W HN 0.640 nan 8.180 nan 0.000 0.618 387 K N 1.095 121.040 120.400 -0.759 0.000 2.437 387 K HA -0.051 4.310 4.320 0.068 0.000 0.198 387 K C 0.373 176.795 176.600 -0.295 0.000 1.024 387 K CA 0.275 56.126 56.287 -0.727 0.000 1.148 387 K CB -0.444 31.596 32.500 -0.767 0.000 0.860 387 K HN -0.082 nan 8.250 nan 0.000 0.515 388 N N 1.623 120.230 118.700 -0.154 0.000 2.754 388 N HA -0.179 4.602 4.740 0.068 0.000 0.248 388 N C -1.572 173.911 175.510 -0.044 0.000 1.093 388 N CA 0.981 53.995 53.050 -0.060 0.000 0.699 388 N CB -0.777 37.684 38.487 -0.044 0.000 1.016 388 N HN 0.217 nan 8.380 nan 0.000 0.552 389 K N 0.055 120.435 120.400 -0.035 0.000 2.385 389 K HA 0.291 4.652 4.320 0.068 0.000 0.248 389 K C -0.393 176.246 176.600 0.065 0.000 0.955 389 K CA -0.861 55.429 56.287 0.004 0.000 0.816 389 K CB 1.690 34.186 32.500 -0.006 0.000 1.250 389 K HN 0.195 nan 8.250 nan 0.000 0.434 390 E N 1.543 121.780 120.200 0.063 0.000 2.452 390 E HA -0.049 4.342 4.350 0.068 0.000 0.261 390 E C -1.340 175.362 176.600 0.171 0.000 0.987 390 E CA 0.321 56.775 56.400 0.090 0.000 0.926 390 E CB 0.575 30.297 29.700 0.037 0.000 0.934 390 E HN 0.416 nan 8.360 nan 0.000 0.452 391 W N 3.464 124.753 121.300 -0.019 0.000 3.022 391 W HA 0.421 5.130 4.660 0.080 0.000 0.335 391 W C -1.240 175.271 176.519 -0.013 0.000 1.133 391 W CA -0.707 56.635 57.345 -0.004 0.000 1.219 391 W CB 1.305 30.780 29.460 0.026 0.000 1.409 391 W HN 0.454 nan 8.180 nan 0.000 0.507 392 R N 4.635 124.648 120.500 -0.811 0.000 2.750 392 R HA 0.397 4.778 4.340 0.068 0.000 0.281 392 R C -1.959 173.481 176.300 -1.433 0.000 0.972 392 R CA -1.697 53.936 56.100 -0.779 0.000 0.912 392 R CB 1.738 31.780 30.300 -0.430 0.000 1.187 392 R HN 0.162 nan 8.270 nan 0.000 0.464 393 P HA -0.172 nan 4.420 nan 0.000 0.218 393 P C 0.351 177.447 177.300 -0.339 0.000 1.146 393 P CA 1.137 63.974 63.100 -0.438 0.000 0.813 393 P CB 0.338 32.006 31.700 -0.054 0.000 0.778 394 Q N -0.650 118.949 119.800 -0.335 0.000 2.253 394 Q HA 0.055 4.435 4.340 0.068 0.000 0.210 394 Q C -0.239 175.621 176.000 -0.234 0.000 0.907 394 Q CA 0.332 56.011 55.803 -0.207 0.000 0.948 394 Q CB -0.532 28.116 28.738 -0.149 0.000 1.033 394 Q HN 0.245 nan 8.270 nan 0.000 0.471 395 D N -0.425 119.746 120.400 -0.383 0.000 2.229 395 D HA -0.021 4.659 4.640 0.068 0.000 0.249 395 D C 0.766 177.047 176.300 -0.032 0.000 1.027 395 D CA -0.175 53.654 54.000 -0.285 0.000 0.923 395 D CB 1.266 41.720 40.800 -0.577 0.000 1.174 395 D HN 0.133 nan 8.370 nan 0.000 0.443 396 E N 0.921 121.135 120.200 0.024 0.000 2.150 396 E HA -0.126 4.265 4.350 0.068 0.000 0.193 396 E C -0.272 176.422 176.600 0.157 0.000 0.985 396 E CA 0.947 57.392 56.400 0.077 0.000 0.814 396 E CB 0.452 30.183 29.700 0.052 0.000 0.752 396 E HN 0.382 nan 8.360 nan 0.000 0.466 397 E N 1.350 121.697 120.200 0.246 0.000 2.222 397 E HA 0.339 4.730 4.350 0.068 0.000 0.267 397 E C -2.294 174.588 176.600 0.470 0.000 0.963 397 E CA -2.354 54.227 56.400 0.302 0.000 0.837 397 E CB 1.468 31.334 29.700 0.276 0.000 1.183 397 E HN 0.171 nan 8.360 nan 0.000 0.403 398 P HA 0.040 nan 4.420 nan 0.000 0.274 398 P C 1.029 178.311 177.300 -0.030 0.000 1.231 398 P CA -0.158 63.060 63.100 0.198 0.000 0.790 398 P CB 0.659 32.397 31.700 0.063 0.000 0.951 399 C N 0.269 119.180 119.300 -0.649 0.000 2.446 399 C HA 0.400 4.900 4.460 0.068 0.000 0.279 399 C C 1.144 176.043 174.990 -0.152 0.000 1.366 399 C CA 0.391 58.777 59.018 -1.053 0.000 1.763 399 C CB -1.415 25.271 27.740 -1.756 0.000 1.929 399 C HN 0.618 nan 8.230 nan 0.000 0.509 400 A N 0.106 122.889 122.820 -0.062 0.000 2.355 400 A HA 0.565 4.926 4.320 0.068 0.000 0.324 400 A C -0.322 177.074 177.584 -0.314 0.000 1.117 400 A CA -0.367 51.659 52.037 -0.017 0.000 0.785 400 A CB 0.090 19.137 19.000 0.079 0.000 1.254 400 A HN 0.601 nan 8.150 nan 0.000 0.453 401 H N 1.998 120.543 119.070 -0.875 0.000 2.897 401 H HA 0.084 4.678 4.556 0.065 0.000 0.347 401 H C -1.756 173.277 175.328 -0.493 0.000 1.068 401 H CA -0.746 54.657 56.048 -1.074 0.000 1.426 401 H CB 1.232 30.121 29.762 -1.454 0.000 1.410 401 H HN 0.268 nan 8.280 nan 0.000 0.597 402 P HA -0.100 nan 4.420 nan 0.000 0.222 402 P C 0.570 177.744 177.300 -0.210 0.000 1.147 402 P CA 1.317 64.182 63.100 -0.392 0.000 0.790 402 P CB 0.272 31.736 31.700 -0.393 0.000 0.780 403 N N -1.049 117.639 118.700 -0.020 0.000 2.275 403 N HA 0.028 4.809 4.740 0.068 0.000 0.236 403 N C -0.474 175.010 175.510 -0.044 0.000 1.154 403 N CA -0.222 52.839 53.050 0.018 0.000 0.866 403 N CB -0.139 38.364 38.487 0.028 0.000 1.093 403 N HN -0.082 nan 8.380 nan 0.000 0.515 404 S N -0.092 115.548 115.700 -0.100 0.000 2.566 404 S HA 0.276 4.787 4.470 0.068 0.000 0.280 404 S C 0.114 174.569 174.600 -0.242 0.000 1.343 404 S CA -0.300 57.811 58.200 -0.149 0.000 1.036 404 S CB 1.070 64.204 63.200 -0.111 0.000 0.866 404 S HN 0.148 nan 8.310 nan 0.000 0.526 405 R N 0.738 121.087 120.500 -0.252 0.000 2.771 405 R HA 0.496 4.877 4.340 0.068 0.000 0.274 405 R C -1.012 175.102 176.300 -0.309 0.000 0.987 405 R CA -0.672 55.112 56.100 -0.528 0.000 0.908 405 R CB 1.425 31.128 30.300 -0.995 0.000 1.213 405 R HN 0.778 nan 8.270 nan 0.000 0.468 406 F N -1.187 118.556 119.950 -0.344 0.000 2.470 406 F HA 0.673 5.234 4.527 0.058 0.000 0.329 406 F C -0.131 175.488 175.800 -0.301 0.000 1.072 406 F CA -1.414 56.348 58.000 -0.397 0.000 0.989 406 F CB 1.122 39.848 39.000 -0.456 0.000 1.193 406 F HN 0.318 nan 8.300 nan 0.000 0.481 407 C N 3.063 122.362 119.300 -0.002 0.000 2.344 407 C HA 0.770 5.271 4.460 0.068 0.000 0.326 407 C C -0.585 174.440 174.990 0.059 0.000 1.201 407 C CA 0.110 59.189 59.018 0.102 0.000 1.410 407 C CB -0.057 27.767 27.740 0.140 0.000 2.070 407 C HN 1.095 nan 8.230 nan 0.000 0.445 408 T N 6.648 121.264 114.554 0.104 0.000 2.909 408 T HA 0.609 5.000 4.350 0.068 0.000 0.299 408 T C -3.008 171.623 174.700 -0.116 0.000 1.073 408 T CA -0.970 61.138 62.100 0.013 0.000 0.999 408 T CB 1.935 70.829 68.868 0.045 0.000 1.098 408 T HN 0.462 nan 8.240 nan 0.000 0.477 409 P HA 0.249 nan 4.420 nan 0.000 0.267 409 P C 0.112 177.148 177.300 -0.439 0.000 1.205 409 P CA -0.097 62.869 63.100 -0.223 0.000 0.765 409 P CB 0.581 32.216 31.700 -0.108 0.000 0.828 410 A N 3.576 125.967 122.820 -0.714 0.000 1.972 410 A HA -0.178 4.183 4.320 0.068 0.000 0.219 410 A C 2.105 179.249 177.584 -0.735 0.000 1.169 410 A CA 2.080 53.432 52.037 -1.142 0.000 0.635 410 A CB -1.546 16.618 19.000 -1.394 0.000 0.810 410 A HN 0.580 nan 8.150 nan 0.000 0.446 411 S N -0.495 114.959 115.700 -0.411 0.000 2.465 411 S HA -0.225 4.286 4.470 0.068 0.000 0.241 411 S C 1.607 176.136 174.600 -0.118 0.000 1.000 411 S CA 1.454 59.562 58.200 -0.153 0.000 0.964 411 S CB -0.451 62.785 63.200 0.060 0.000 0.763 411 S HN 0.718 nan 8.310 nan 0.000 0.512 412 Q N -0.281 119.439 119.800 -0.134 0.000 2.425 412 Q HA 0.219 4.600 4.340 0.068 0.000 0.204 412 Q C 0.518 176.494 176.000 -0.039 0.000 0.933 412 Q CA -0.111 55.656 55.803 -0.062 0.000 0.939 412 Q CB 0.110 28.820 28.738 -0.046 0.000 1.044 412 Q HN 0.650 nan 8.270 nan 0.000 0.513 413 C N 2.756 122.028 119.300 -0.046 0.000 2.627 413 C HA 0.120 4.621 4.460 0.068 0.000 0.404 413 C C -0.964 174.023 174.990 -0.006 0.000 1.340 413 C CA -1.733 57.305 59.018 0.034 0.000 1.758 413 C CB 0.449 28.281 27.740 0.154 0.000 2.501 413 C HN 0.342 nan 8.230 nan 0.000 0.588 414 P HA -0.086 nan 4.420 nan 0.000 0.220 414 P C 0.501 177.805 177.300 0.006 0.000 1.148 414 P CA 1.486 64.587 63.100 0.001 0.000 0.803 414 P CB -0.167 31.533 31.700 -0.000 0.000 0.782 415 I N -4.118 116.455 120.570 0.006 0.000 3.736 415 I HA 0.318 4.529 4.170 0.068 0.000 0.338 415 I C 0.401 176.527 176.117 0.015 0.000 1.558 415 I CA -1.494 59.815 61.300 0.015 0.000 1.147 415 I CB -0.970 37.039 38.000 0.016 0.000 1.275 415 I HN -0.316 nan 8.210 nan 0.000 0.454 416 I N 2.084 122.641 120.570 -0.020 0.000 2.775 416 I HA -0.026 4.185 4.170 0.068 0.000 0.290 416 I C 0.580 176.725 176.117 0.046 0.000 1.203 416 I CA 0.489 61.737 61.300 -0.086 0.000 1.433 416 I CB 0.118 37.913 38.000 -0.342 0.000 1.354 416 I HN 0.404 nan 8.210 nan 0.000 0.579 417 D N 8.767 129.249 120.400 0.136 0.000 2.382 417 D HA 0.170 4.850 4.640 0.068 0.000 0.245 417 D C -1.561 174.932 176.300 0.322 0.000 1.120 417 D CA -1.034 53.111 54.000 0.242 0.000 0.890 417 D CB 1.066 42.068 40.800 0.337 0.000 1.201 417 D HN 0.358 nan 8.370 nan 0.000 0.433 418 P HA -0.091 nan 4.420 nan 0.000 0.222 418 P C 0.184 177.609 177.300 0.208 0.000 1.147 418 P CA 0.738 63.972 63.100 0.223 0.000 0.790 418 P CB 0.111 31.903 31.700 0.154 0.000 0.780 419 A N -0.361 122.594 122.820 0.225 0.000 2.415 419 A HA 0.065 4.426 4.320 0.068 0.000 0.248 419 A C 1.658 179.310 177.584 0.113 0.000 1.299 419 A CA -0.619 51.487 52.037 0.116 0.000 0.899 419 A CB -1.473 17.564 19.000 0.061 0.000 0.997 419 A HN 0.336 nan 8.150 nan 0.000 0.506 420 W N 0.484 121.811 121.300 0.045 0.000 2.525 420 W HA -0.017 4.685 4.660 0.070 0.000 0.259 420 W C -0.009 176.508 176.519 -0.004 0.000 1.253 420 W CA 1.227 58.592 57.345 0.034 0.000 1.262 420 W CB -0.289 29.210 29.460 0.065 0.000 1.122 420 W HN 0.514 nan 8.180 nan 0.000 0.607 421 E N 0.840 120.657 120.200 -0.639 0.000 2.583 421 E HA 0.018 4.409 4.350 0.068 0.000 0.213 421 E C 0.338 176.741 176.600 -0.327 0.000 0.989 421 E CA -0.159 55.840 56.400 -0.668 0.000 0.991 421 E CB 0.580 29.732 29.700 -0.913 0.000 1.040 421 E HN -0.066 nan 8.360 nan 0.000 0.481 422 S N 2.931 118.508 115.700 -0.205 0.000 2.525 422 S HA 0.033 4.544 4.470 0.068 0.000 0.285 422 S C -1.178 173.345 174.600 -0.128 0.000 1.283 422 S CA -1.232 56.888 58.200 -0.134 0.000 1.072 422 S CB 0.680 63.825 63.200 -0.092 0.000 0.867 422 S HN 0.016 nan 8.310 nan 0.000 0.492 423 P HA -0.127 nan 4.420 nan 0.000 0.220 423 P C 0.990 178.239 177.300 -0.085 0.000 1.148 423 P CA 0.941 63.983 63.100 -0.097 0.000 0.803 423 P CB 0.023 31.674 31.700 -0.082 0.000 0.782 424 E N 0.447 120.599 120.200 -0.080 0.000 2.478 424 E HA 0.123 4.514 4.350 0.068 0.000 0.194 424 E C 1.006 177.554 176.600 -0.087 0.000 1.045 424 E CA 0.710 57.065 56.400 -0.075 0.000 0.868 424 E CB -0.743 28.921 29.700 -0.062 0.000 0.885 424 E HN 0.179 nan 8.360 nan 0.000 0.505 425 G N 0.570 109.309 108.800 -0.101 0.000 2.796 425 G HA2 -0.195 3.806 3.960 0.068 0.000 0.571 425 G HA3 -0.195 3.806 3.960 0.068 0.000 0.571 425 G C -0.191 174.600 174.900 -0.182 0.000 1.370 425 G CA -0.083 44.944 45.100 -0.122 0.000 0.856 425 G HN 0.769 nan 8.290 nan 0.000 0.538 426 V N -2.516 117.239 119.914 -0.265 0.000 2.715 426 V HA 0.896 5.057 4.120 0.068 0.000 0.310 426 V C -2.272 173.647 176.094 -0.291 0.000 1.054 426 V CA -2.060 59.951 62.300 -0.482 0.000 0.928 426 V CB 2.298 33.417 31.823 -1.172 0.000 1.007 426 V HN 0.898 nan 8.190 nan 0.000 0.437 427 P HA 0.393 nan 4.420 nan 0.000 0.287 427 P C -0.697 176.636 177.300 0.055 0.000 1.307 427 P CA -0.153 62.926 63.100 -0.034 0.000 0.777 427 P CB 0.861 32.573 31.700 0.020 0.000 0.883 428 I N 4.093 124.683 120.570 0.033 0.000 2.352 428 I HA 0.140 4.351 4.170 0.068 0.000 0.290 428 I C 1.376 177.552 176.117 0.097 0.000 1.036 428 I CA 0.105 61.458 61.300 0.089 0.000 1.336 428 I CB 0.313 38.349 38.000 0.061 0.000 1.407 428 I HN 0.422 nan 8.210 nan 0.000 0.497 429 E N 3.764 124.034 120.200 0.117 0.000 2.489 429 E HA 0.279 4.670 4.350 0.068 0.000 0.204 429 E C 0.703 177.382 176.600 0.132 0.000 1.006 429 E CA -0.136 56.322 56.400 0.095 0.000 0.936 429 E CB 1.142 30.865 29.700 0.039 0.000 1.002 429 E HN 0.803 nan 8.360 nan 0.000 0.488 430 G N 0.973 109.871 108.800 0.164 0.000 2.742 430 G HA2 0.570 4.571 3.960 0.068 0.000 0.296 430 G HA3 0.570 4.571 3.960 0.068 0.000 0.296 430 G C -1.365 173.638 174.900 0.171 0.000 1.436 430 G CA -0.646 44.591 45.100 0.228 0.000 0.928 430 G HN -0.036 nan 8.290 nan 0.000 0.520 431 I N 1.413 122.053 120.570 0.117 0.000 2.465 431 I HA 0.462 4.673 4.170 0.068 0.000 0.291 431 I C -0.544 175.453 176.117 -0.201 0.000 1.014 431 I CA -0.779 60.478 61.300 -0.071 0.000 1.093 431 I CB 2.153 40.093 38.000 -0.101 0.000 1.267 431 I HN 0.226 nan 8.210 nan 0.000 0.431 432 I N 5.850 126.244 120.570 -0.292 0.000 2.406 432 I HA 0.409 4.620 4.170 0.068 0.000 0.290 432 I C -0.829 175.017 176.117 -0.452 0.000 0.999 432 I CA -0.443 60.723 61.300 -0.223 0.000 1.124 432 I CB 1.252 39.231 38.000 -0.035 0.000 1.289 432 I HN 0.270 nan 8.210 nan 0.000 0.441 433 F N 3.176 123.059 119.950 -0.112 0.000 2.483 433 F HA 0.897 5.464 4.527 0.068 0.000 0.329 433 F C 0.812 176.380 175.800 -0.387 0.000 1.064 433 F CA -0.746 57.140 58.000 -0.191 0.000 0.986 433 F CB 2.001 40.858 39.000 -0.240 0.000 1.218 433 F HN 0.510 nan 8.300 nan 0.000 0.484 434 G N -0.639 108.092 108.800 -0.115 0.000 2.338 434 G HA2 0.541 4.542 3.960 0.068 0.000 0.295 434 G HA3 0.541 4.542 3.960 0.068 0.000 0.295 434 G C -1.241 173.453 174.900 -0.342 0.000 1.461 434 G CA -0.038 44.676 45.100 -0.643 0.000 0.817 434 G HN 1.078 nan 8.290 nan 0.000 0.556 435 G N -1.054 107.532 108.800 -0.356 0.000 2.578 435 G HA2 0.594 4.595 3.960 0.068 0.000 0.302 435 G HA3 0.594 4.595 3.960 0.068 0.000 0.302 435 G C -1.341 173.464 174.900 -0.159 0.000 1.243 435 G CA -0.915 44.047 45.100 -0.229 0.000 0.843 435 G HN 0.602 nan 8.290 nan 0.000 0.486 436 R N 1.045 121.394 120.500 -0.252 0.000 2.205 436 R HA 0.476 4.857 4.340 0.068 0.000 0.342 436 R C -0.644 175.608 176.300 -0.080 0.000 1.058 436 R CA -0.468 55.465 56.100 -0.278 0.000 0.904 436 R CB 0.795 30.775 30.300 -0.532 0.000 1.089 436 R HN 0.087 nan 8.270 nan 0.000 0.471 437 R N 3.802 124.326 120.500 0.042 0.000 2.435 437 R HA 0.207 4.587 4.340 0.068 0.000 0.308 437 R C -2.012 174.321 176.300 0.054 0.000 0.975 437 R CA -2.283 53.831 56.100 0.023 0.000 0.867 437 R CB 1.687 32.001 30.300 0.023 0.000 1.171 437 R HN 0.399 nan 8.270 nan 0.000 0.470 438 P HA 0.044 nan 4.420 nan 0.000 0.236 438 P C -0.226 177.066 177.300 -0.013 0.000 1.177 438 P CA 0.544 63.671 63.100 0.045 0.000 0.773 438 P CB 0.688 32.396 31.700 0.014 0.000 0.878 439 A N -1.488 121.292 122.820 -0.067 0.000 2.498 439 A HA 0.659 5.020 4.320 0.068 0.000 0.298 439 A C 0.942 178.229 177.584 -0.496 0.000 1.075 439 A CA -0.033 51.892 52.037 -0.186 0.000 0.714 439 A CB 1.086 20.027 19.000 -0.097 0.000 1.299 439 A HN 0.146 nan 8.150 nan 0.000 0.407 440 G N -0.507 107.822 108.800 -0.785 0.000 2.396 440 G HA2 -0.176 3.825 3.960 0.068 0.000 0.242 440 G HA3 -0.176 3.825 3.960 0.068 0.000 0.242 440 G C 0.326 174.706 174.900 -0.868 0.000 1.069 440 G CA 0.424 44.525 45.100 -1.666 0.000 0.633 440 G HN 1.679 nan 8.290 nan 0.000 0.517 441 V N 4.466 124.131 119.914 -0.416 0.000 2.383 441 V HA 0.515 4.676 4.120 0.068 0.000 0.275 441 V C -1.144 174.945 176.094 -0.007 0.000 1.036 441 V CA -1.171 61.139 62.300 0.017 0.000 0.889 441 V CB 1.562 33.456 31.823 0.118 0.000 0.985 441 V HN 0.331 nan 8.190 nan 0.000 0.459 442 P HA 0.149 nan 4.420 nan 0.000 0.277 442 P C 0.878 177.994 177.300 -0.307 0.000 1.271 442 P CA -0.499 62.479 63.100 -0.205 0.000 0.795 442 P CB 1.234 32.829 31.700 -0.175 0.000 1.101 443 L N 1.101 121.883 121.223 -0.735 0.000 2.013 443 L HA -0.061 4.320 4.340 0.068 0.000 0.212 443 L C 0.692 177.301 176.870 -0.434 0.000 1.073 443 L CA 2.085 56.499 54.840 -0.709 0.000 0.753 443 L CB -0.298 41.079 42.059 -1.137 0.000 0.890 443 L HN 0.263 nan 8.230 nan 0.000 0.432 444 V N -0.906 118.822 119.914 -0.309 0.000 2.891 444 V HA 0.445 4.606 4.120 0.068 0.000 0.304 444 V C -1.624 174.575 176.094 0.175 0.000 1.171 444 V CA -0.620 61.640 62.300 -0.066 0.000 0.943 444 V CB 1.884 33.666 31.823 -0.069 0.000 1.037 444 V HN 0.364 nan 8.190 nan 0.000 0.427 445 Y N 2.431 122.856 120.300 0.208 0.000 2.644 445 Y HA 0.834 5.425 4.550 0.068 0.000 0.338 445 Y C -0.821 175.386 175.900 0.513 0.000 1.119 445 Y CA -1.064 57.222 58.100 0.311 0.000 1.060 445 Y CB 1.656 40.215 38.460 0.165 0.000 1.294 445 Y HN 0.712 nan 8.280 nan 0.000 0.472 446 E N 1.892 122.503 120.200 0.685 0.000 2.210 446 E HA 0.703 5.094 4.350 0.068 0.000 0.266 446 E C -0.997 175.827 176.600 0.373 0.000 0.883 446 E CA -1.137 55.529 56.400 0.444 0.000 0.761 446 E CB 1.765 31.784 29.700 0.531 0.000 1.156 446 E HN 1.050 nan 8.360 nan 0.000 0.412 447 A N 4.366 127.274 122.820 0.146 0.000 2.445 447 A HA 0.141 4.502 4.320 0.068 0.000 0.242 447 A C 0.902 178.694 177.584 0.347 0.000 1.075 447 A CA -0.131 52.020 52.037 0.190 0.000 0.777 447 A CB 0.257 19.215 19.000 -0.070 0.000 1.013 447 A HN 0.862 nan 8.150 nan 0.000 0.493 448 L N 1.168 122.731 121.223 0.567 0.000 2.395 448 L HA 0.072 4.453 4.340 0.068 0.000 0.218 448 L C 0.916 177.944 176.870 0.264 0.000 1.130 448 L CA 1.070 56.101 54.840 0.318 0.000 0.826 448 L CB -0.586 41.523 42.059 0.084 0.000 0.941 448 L HN 0.902 nan 8.230 nan 0.000 0.451 449 S N -3.893 111.978 115.700 0.285 0.000 2.636 449 S HA 0.029 4.540 4.470 0.068 0.000 0.266 449 S C -0.138 174.647 174.600 0.309 0.000 1.147 449 S CA -0.923 57.438 58.200 0.268 0.000 0.815 449 S CB 0.241 63.581 63.200 0.234 0.000 1.119 449 S HN 0.199 nan 8.310 nan 0.000 0.470 450 W N 1.130 122.522 121.300 0.153 0.000 2.358 450 W HA -0.160 4.541 4.660 0.068 0.000 0.303 450 W C 1.475 178.120 176.519 0.210 0.000 1.208 450 W CA 2.386 59.838 57.345 0.179 0.000 1.274 450 W CB -0.357 29.200 29.460 0.160 0.000 1.138 450 W HN 0.863 nan 8.180 nan 0.000 0.515 451 Q N -1.052 118.923 119.800 0.292 0.000 2.079 451 Q HA -0.233 4.148 4.340 0.068 0.000 0.200 451 Q C 2.286 178.395 176.000 0.181 0.000 0.974 451 Q CA 2.099 58.020 55.803 0.197 0.000 0.840 451 Q CB -1.312 27.555 28.738 0.216 0.000 0.898 451 Q HN 0.487 nan 8.270 nan 0.000 0.430 452 H N -0.670 118.458 119.070 0.096 0.000 2.352 452 H HA -0.106 4.491 4.556 0.068 0.000 0.299 452 H C 1.858 177.269 175.328 0.140 0.000 1.097 452 H CA 1.115 57.231 56.048 0.113 0.000 1.311 452 H CB -0.014 29.799 29.762 0.084 0.000 1.377 452 H HN 0.384 nan 8.280 nan 0.000 0.504 453 G N 0.252 109.020 108.800 -0.054 0.000 2.418 453 G HA2 -0.214 3.786 3.960 0.068 0.000 0.217 453 G HA3 -0.214 3.786 3.960 0.068 0.000 0.217 453 G C 1.845 176.611 174.900 -0.222 0.000 1.158 453 G CA 0.959 45.957 45.100 -0.171 0.000 0.771 453 G HN 0.342 nan 8.290 nan 0.000 0.545 454 V N 0.480 120.257 119.914 -0.228 0.000 2.343 454 V HA -0.132 4.029 4.120 0.068 0.000 0.247 454 V C 2.317 178.377 176.094 -0.057 0.000 1.051 454 V CA 1.800 64.025 62.300 -0.125 0.000 1.036 454 V CB -0.641 31.169 31.823 -0.021 0.000 0.654 454 V HN 0.424 nan 8.190 nan 0.000 0.451 455 F N 0.795 120.693 119.950 -0.088 0.000 2.134 455 F HA -0.180 4.389 4.527 0.069 0.000 0.299 455 F C 2.197 177.921 175.800 -0.127 0.000 1.097 455 F CA 1.805 59.783 58.000 -0.036 0.000 1.264 455 F CB -0.393 38.636 39.000 0.047 0.000 1.001 455 F HN -0.036 nan 8.300 nan 0.000 0.479 456 V N 0.831 120.569 119.914 -0.294 0.000 2.287 456 V HA -0.274 3.887 4.120 0.068 0.000 0.248 456 V C 2.799 178.457 176.094 -0.727 0.000 1.053 456 V CA 2.038 64.090 62.300 -0.415 0.000 1.027 456 V CB -1.710 29.990 31.823 -0.205 0.000 0.646 456 V HN 0.577 nan 8.190 nan 0.000 0.447 457 G N -0.447 107.597 108.800 -1.259 0.000 2.440 457 G HA2 -0.229 3.772 3.960 0.068 0.000 0.218 457 G HA3 -0.229 3.772 3.960 0.068 0.000 0.218 457 G C 1.743 176.052 174.900 -0.985 0.000 1.154 457 G CA 1.023 44.776 45.100 -2.245 0.000 0.767 457 G HN 0.630 nan 8.290 nan 0.000 0.552 458 A N 0.740 123.331 122.820 -0.381 0.000 2.019 458 A HA 0.364 4.725 4.320 0.068 0.000 0.219 458 A C 2.534 180.087 177.584 -0.052 0.000 1.164 458 A CA 2.005 54.120 52.037 0.130 0.000 0.644 458 A CB -0.377 18.734 19.000 0.185 0.000 0.805 458 A HN 0.817 nan 8.150 nan 0.000 0.449 459 A N -1.205 121.374 122.820 -0.402 0.000 2.275 459 A HA 0.457 4.818 4.320 0.068 0.000 0.212 459 A C 0.949 178.381 177.584 -0.252 0.000 1.201 459 A CA -0.321 51.498 52.037 -0.364 0.000 0.843 459 A CB -0.438 18.148 19.000 -0.691 0.000 0.873 459 A HN 0.511 nan 8.150 nan 0.000 0.492 460 M N 0.778 120.231 119.600 -0.245 0.000 2.251 460 M HA 0.124 4.645 4.480 0.068 0.000 0.343 460 M C 0.139 176.298 176.300 -0.234 0.000 1.245 460 M CA 1.043 56.241 55.300 -0.169 0.000 1.061 460 M CB 0.239 32.746 32.600 -0.154 0.000 1.723 460 M HN 0.282 nan 8.290 nan 0.000 0.449 461 R N 1.033 121.396 120.500 -0.229 0.000 2.725 461 R HA 0.706 5.087 4.340 0.068 0.000 0.277 461 R C -1.311 174.868 176.300 -0.202 0.000 0.987 461 R CA -0.752 55.144 56.100 -0.340 0.000 0.901 461 R CB 2.447 32.450 30.300 -0.494 0.000 1.207 461 R HN 0.668 nan 8.270 nan 0.000 0.463 462 S N 0.627 116.203 115.700 -0.207 0.000 2.535 462 S HA 0.159 4.670 4.470 0.068 0.000 0.272 462 S C -1.394 173.106 174.600 -0.166 0.000 1.149 462 S CA -0.802 57.299 58.200 -0.165 0.000 0.888 462 S CB 1.316 64.429 63.200 -0.144 0.000 1.110 462 S HN 0.547 nan 8.310 nan 0.000 0.463 463 E N 2.168 122.272 120.200 -0.159 0.000 2.452 463 E HA 0.268 4.659 4.350 0.068 0.000 0.261 463 E C 0.601 177.123 176.600 -0.130 0.000 0.987 463 E CA 0.231 56.548 56.400 -0.138 0.000 0.926 463 E CB 0.494 30.113 29.700 -0.134 0.000 0.934 463 E HN 0.704 nan 8.360 nan 0.000 0.452 464 A N 3.437 126.195 122.820 -0.103 0.000 2.555 464 A HA 0.129 4.490 4.320 0.068 0.000 0.233 464 A C 0.624 178.179 177.584 -0.049 0.000 1.060 464 A CA 0.438 52.437 52.037 -0.065 0.000 0.759 464 A CB 0.098 19.081 19.000 -0.029 0.000 0.995 464 A HN 0.687 nan 8.150 nan 0.000 0.506 465 T N -2.121 112.421 114.554 -0.019 0.000 2.724 465 T HA 0.672 5.063 4.350 0.068 0.000 0.274 465 T C 0.625 175.323 174.700 -0.004 0.000 0.984 465 T CA -0.001 62.083 62.100 -0.027 0.000 1.024 465 T CB 1.359 70.207 68.868 -0.033 0.000 1.320 465 T HN 1.374 nan 8.240 nan 0.000 0.555 466 A N -0.554 122.252 122.820 -0.024 0.000 2.307 466 A HA 0.654 5.015 4.320 0.068 0.000 0.218 466 A C 2.106 179.680 177.584 -0.017 0.000 1.228 466 A CA 0.562 52.580 52.037 -0.033 0.000 0.857 466 A CB -1.162 17.788 19.000 -0.083 0.000 0.897 466 A HN 1.124 nan 8.150 nan 0.000 0.495 467 A N -0.655 122.175 122.820 0.017 0.000 2.067 467 A HA 0.474 4.835 4.320 0.068 0.000 0.219 467 A C 1.407 179.004 177.584 0.022 0.000 1.158 467 A CA 1.532 53.602 52.037 0.055 0.000 0.661 467 A CB -0.285 18.795 19.000 0.133 0.000 0.801 467 A HN 1.030 nan 8.150 nan 0.000 0.452 468 A N -0.824 121.991 122.820 -0.009 0.000 3.434 468 A HA 0.566 4.927 4.320 0.068 0.000 0.247 468 A C 0.793 178.288 177.584 -0.148 0.000 1.075 468 A CA 0.331 52.322 52.037 -0.076 0.000 0.737 468 A CB -0.008 18.961 19.000 -0.051 0.000 1.412 468 A HN 0.155 nan 8.150 nan 0.000 0.691 469 E N 0.736 120.760 120.200 -0.293 0.000 2.489 469 E HA -0.020 4.371 4.350 0.068 0.000 0.193 469 E C -0.616 175.824 176.600 -0.267 0.000 1.057 469 E CA 0.078 56.314 56.400 -0.274 0.000 0.866 469 E CB -0.351 29.188 29.700 -0.270 0.000 0.916 469 E HN 0.581 nan 8.360 nan 0.000 0.500 470 H N 1.816 120.872 119.070 -0.024 0.000 2.722 470 H HA 0.284 4.881 4.556 0.068 0.000 0.328 470 H C 0.304 175.616 175.328 -0.027 0.000 1.067 470 H CA 0.068 56.101 56.048 -0.024 0.000 1.447 470 H CB 0.908 30.651 29.762 -0.032 0.000 1.469 470 H HN -0.056 nan 8.280 nan 0.000 0.544 471 K N 1.243 121.698 120.400 0.092 0.000 2.185 471 K HA 0.457 4.818 4.320 0.068 0.000 0.240 471 K C 0.769 177.385 176.600 0.028 0.000 0.983 471 K CA -0.342 55.967 56.287 0.037 0.000 0.873 471 K CB 2.354 34.868 32.500 0.024 0.000 1.118 471 K HN 0.899 nan 8.250 nan 0.000 0.441 472 G N 1.408 110.212 108.800 0.007 0.000 2.752 472 G HA2 -0.232 3.769 3.960 0.068 0.000 0.234 472 G HA3 -0.232 3.769 3.960 0.068 0.000 0.234 472 G C -0.547 174.344 174.900 -0.015 0.000 1.367 472 G CA -0.420 44.677 45.100 -0.004 0.000 0.879 472 G HN 0.446 nan 8.290 nan 0.000 0.563 473 K N 0.072 120.456 120.400 -0.027 0.000 2.965 473 K HA 0.380 4.741 4.320 0.068 0.000 0.216 473 K C 0.625 177.192 176.600 -0.054 0.000 1.164 473 K CA -0.357 55.904 56.287 -0.043 0.000 1.153 473 K CB 0.631 33.104 32.500 -0.045 0.000 1.045 473 K HN 0.492 nan 8.250 nan 0.000 0.460 474 V N 2.308 122.192 119.914 -0.050 0.000 2.557 474 V HA -0.021 4.140 4.120 0.068 0.000 0.301 474 V C 1.038 177.074 176.094 -0.098 0.000 1.026 474 V CA 0.054 62.316 62.300 -0.064 0.000 1.137 474 V CB 0.003 31.792 31.823 -0.056 0.000 0.917 474 V HN 0.305 nan 8.190 nan 0.000 0.484 475 I N 7.096 127.603 120.570 -0.106 0.000 2.517 475 I HA 0.168 4.379 4.170 0.068 0.000 0.285 475 I C 0.348 176.356 176.117 -0.182 0.000 1.106 475 I CA 0.729 61.941 61.300 -0.147 0.000 1.402 475 I CB 0.239 38.151 38.000 -0.147 0.000 1.399 475 I HN 0.543 nan 8.210 nan 0.000 0.535 476 M N 5.391 124.862 119.600 -0.216 0.000 2.602 476 M HA 0.417 4.938 4.480 0.068 0.000 0.312 476 M C -0.334 175.781 176.300 -0.308 0.000 1.181 476 M CA -0.797 54.371 55.300 -0.220 0.000 0.910 476 M CB 1.902 34.369 32.600 -0.222 0.000 1.723 476 M HN 0.397 nan 8.290 nan 0.000 0.459 477 H N 1.455 120.341 119.070 -0.306 0.000 2.803 477 H HA 0.082 4.679 4.556 0.068 0.000 0.330 477 H C -0.882 174.287 175.328 -0.265 0.000 1.057 477 H CA 0.847 56.647 56.048 -0.414 0.000 1.458 477 H CB 0.747 30.002 29.762 -0.846 0.000 1.470 477 H HN 0.477 nan 8.280 nan 0.000 0.560 478 D N 4.527 124.840 120.400 -0.146 0.000 2.846 478 D HA 0.147 4.828 4.640 0.068 0.000 0.279 478 D C -2.687 173.572 176.300 -0.067 0.000 1.222 478 D CA -1.553 52.387 54.000 -0.100 0.000 0.769 478 D CB 0.930 41.679 40.800 -0.086 0.000 1.299 478 D HN 0.293 nan 8.370 nan 0.000 0.537 479 P HA 0.018 nan 4.420 nan 0.000 0.264 479 P C 0.301 177.737 177.300 0.226 0.000 1.193 479 P CA -0.060 63.079 63.100 0.065 0.000 0.763 479 P CB 0.181 31.894 31.700 0.022 0.000 0.810 480 F N 1.521 121.394 119.950 -0.127 0.000 3.048 480 F HA -0.302 4.266 4.527 0.068 0.000 0.287 480 F C 1.454 177.320 175.800 0.110 0.000 0.796 480 F CA 1.189 59.177 58.000 -0.021 0.000 1.111 480 F CB -2.595 36.505 39.000 0.167 0.000 1.320 480 F HN 0.600 nan 8.300 nan 0.000 0.430 481 A N -1.605 121.317 122.820 0.170 0.000 2.816 481 A HA -0.296 4.065 4.320 0.068 0.000 0.270 481 A C 1.349 179.098 177.584 0.274 0.000 1.413 481 A CA 1.647 53.818 52.037 0.224 0.000 0.866 481 A CB -1.465 17.683 19.000 0.248 0.000 1.032 481 A HN 0.421 nan 8.150 nan 0.000 0.642 482 M N -1.537 118.034 119.600 -0.050 0.000 2.346 482 M HA 0.149 4.670 4.480 0.068 0.000 0.280 482 M C 1.604 177.298 176.300 -1.011 0.000 1.075 482 M CA 0.500 55.509 55.300 -0.485 0.000 0.989 482 M CB -0.351 31.685 32.600 -0.940 0.000 1.447 482 M HN 0.643 nan 8.290 nan 0.000 0.511 483 R N 1.850 122.017 120.500 -0.555 0.000 2.103 483 R HA -0.144 4.237 4.340 0.068 0.000 0.242 483 R C -1.118 174.908 176.300 -0.458 0.000 1.142 483 R CA 1.731 57.595 56.100 -0.393 0.000 0.960 483 R CB -0.834 29.354 30.300 -0.187 0.000 0.858 483 R HN 0.162 nan 8.270 nan 0.000 0.439 484 P HA 0.039 nan 4.420 nan 0.000 0.249 484 P C -0.265 176.484 177.300 -0.919 0.000 1.229 484 P CA 0.826 63.391 63.100 -0.892 0.000 0.788 484 P CB 0.203 31.090 31.700 -1.355 0.000 1.072 485 F N -3.610 116.149 119.950 -0.317 0.000 2.856 485 F HA 0.304 4.871 4.527 0.067 0.000 0.338 485 F C 0.559 176.202 175.800 -0.262 0.000 1.100 485 F CA -0.990 56.842 58.000 -0.279 0.000 1.150 485 F CB -0.556 38.269 39.000 -0.292 0.000 1.101 485 F HN -0.312 nan 8.300 nan 0.000 0.548 486 F N 1.077 120.992 119.950 -0.059 0.000 2.608 486 F HA 0.321 4.890 4.527 0.070 0.000 0.380 486 F C 1.690 177.449 175.800 -0.068 0.000 1.083 486 F CA 0.024 57.929 58.000 -0.158 0.000 1.266 486 F CB 0.329 39.151 39.000 -0.297 0.000 1.076 486 F HN 0.099 nan 8.300 nan 0.000 0.574 487 G N 2.798 111.735 108.800 0.228 0.000 2.985 487 G HA2 0.163 4.164 3.960 0.068 0.000 0.209 487 G HA3 0.163 4.164 3.960 0.068 0.000 0.209 487 G C -0.518 174.586 174.900 0.340 0.000 1.165 487 G CA 0.476 45.724 45.100 0.247 0.000 0.776 487 G HN 0.682 nan 8.290 nan 0.000 0.541 488 Y N -2.968 117.402 120.300 0.117 0.000 2.818 488 Y HA 0.449 5.040 4.550 0.068 0.000 0.341 488 Y C -0.741 175.179 175.900 0.033 0.000 1.283 488 Y CA -2.265 55.874 58.100 0.064 0.000 1.075 488 Y CB 0.129 38.608 38.460 0.032 0.000 1.370 488 Y HN -0.159 nan 8.280 nan 0.000 0.448 489 N N 1.785 120.507 118.700 0.036 0.000 2.374 489 N HA -0.118 4.663 4.740 0.068 0.000 0.269 489 N C 0.611 175.947 175.510 -0.290 0.000 1.310 489 N CA 0.412 53.407 53.050 -0.091 0.000 0.877 489 N CB 0.120 38.614 38.487 0.012 0.000 1.096 489 N HN 0.788 nan 8.380 nan 0.000 0.484 490 F N 4.655 124.249 119.950 -0.594 0.000 2.154 490 F HA -0.048 4.521 4.527 0.069 0.000 0.301 490 F C 1.991 177.564 175.800 -0.378 0.000 1.087 490 F CA 1.993 59.487 58.000 -0.843 0.000 1.274 490 F CB -0.624 37.782 39.000 -0.990 0.000 1.009 490 F HN 0.561 nan 8.300 nan 0.000 0.485 491 G N 0.541 109.085 108.800 -0.427 0.000 2.422 491 G HA2 -0.225 3.776 3.960 0.068 0.000 0.218 491 G HA3 -0.225 3.776 3.960 0.068 0.000 0.218 491 G C 1.771 176.555 174.900 -0.193 0.000 1.146 491 G CA 0.589 45.452 45.100 -0.394 0.000 0.769 491 G HN 0.220 nan 8.290 nan 0.000 0.547 492 K N -0.085 120.282 120.400 -0.055 0.000 2.148 492 K HA -0.081 4.280 4.320 0.068 0.000 0.204 492 K C 2.045 178.800 176.600 0.258 0.000 1.050 492 K CA 0.821 57.183 56.287 0.125 0.000 0.942 492 K CB -0.569 32.074 32.500 0.239 0.000 0.724 492 K HN 0.526 nan 8.250 nan 0.000 0.446 493 Y N 1.791 122.076 120.300 -0.024 0.000 2.200 493 Y HA -0.132 4.459 4.550 0.068 0.000 0.290 493 Y C 1.988 177.935 175.900 0.077 0.000 1.137 493 Y CA 1.192 59.330 58.100 0.063 0.000 1.163 493 Y CB -0.287 38.009 38.460 -0.273 0.000 0.988 493 Y HN -0.109 nan 8.280 nan 0.000 0.518 494 L N -0.113 121.094 121.223 -0.027 0.000 2.046 494 L HA -0.221 4.160 4.340 0.068 0.000 0.208 494 L C 2.830 179.726 176.870 0.043 0.000 1.077 494 L CA 1.213 55.999 54.840 -0.091 0.000 0.747 494 L CB -1.046 40.852 42.059 -0.269 0.000 0.896 494 L HN 0.355 nan 8.230 nan 0.000 0.432 495 A N -0.624 122.227 122.820 0.051 0.000 1.933 495 A HA -0.304 4.057 4.320 0.068 0.000 0.218 495 A C 2.110 179.779 177.584 0.142 0.000 1.175 495 A CA 2.009 54.106 52.037 0.100 0.000 0.628 495 A CB -0.821 18.234 19.000 0.091 0.000 0.814 495 A HN 0.517 nan 8.150 nan 0.000 0.444 496 H N -2.123 116.980 119.070 0.054 0.000 2.321 496 H HA -0.188 4.409 4.556 0.068 0.000 0.300 496 H C 1.763 177.092 175.328 0.003 0.000 1.087 496 H CA 2.147 58.199 56.048 0.007 0.000 1.319 496 H CB -0.400 29.362 29.762 0.000 0.000 1.379 496 H HN 0.626 nan 8.280 nan 0.000 0.501 497 W N 0.548 121.738 121.300 -0.183 0.000 2.335 497 W HA -0.135 4.566 4.660 0.067 0.000 0.311 497 W C 2.466 179.105 176.519 0.200 0.000 1.213 497 W CA 1.459 58.768 57.345 -0.060 0.000 1.274 497 W CB -0.492 28.875 29.460 -0.155 0.000 1.148 497 W HN 0.198 nan 8.180 nan 0.000 0.498 498 L N 0.132 121.559 121.223 0.339 0.000 2.083 498 L HA -0.249 4.132 4.340 0.068 0.000 0.209 498 L C 2.658 179.528 176.870 0.001 0.000 1.083 498 L CA 1.660 56.675 54.840 0.290 0.000 0.752 498 L CB -1.226 40.941 42.059 0.181 0.000 0.899 498 L HN 0.022 nan 8.230 nan 0.000 0.433 499 S N -0.724 114.892 115.700 -0.140 0.000 2.469 499 S HA -0.171 4.339 4.470 0.068 0.000 0.238 499 S C 1.987 176.342 174.600 -0.408 0.000 0.998 499 S CA 0.729 58.678 58.200 -0.418 0.000 0.957 499 S CB -0.220 62.912 63.200 -0.113 0.000 0.764 499 S HN 0.269 nan 8.310 nan 0.000 0.514 500 M N 1.758 121.214 119.600 -0.240 0.000 2.279 500 M HA 0.080 4.601 4.480 0.068 0.000 0.264 500 M C 2.494 178.462 176.300 -0.552 0.000 1.062 500 M CA 1.346 56.450 55.300 -0.326 0.000 1.099 500 M CB -1.892 30.631 32.600 -0.128 0.000 1.394 500 M HN 0.577 nan 8.290 nan 0.000 0.426 501 A N -0.949 121.556 122.820 -0.525 0.000 2.172 501 A HA -0.138 4.223 4.320 0.068 0.000 0.216 501 A C 1.548 179.029 177.584 -0.171 0.000 1.154 501 A CA 1.049 52.830 52.037 -0.427 0.000 0.701 501 A CB -1.125 17.787 19.000 -0.148 0.000 0.789 501 A HN 0.674 nan 8.150 nan 0.000 0.465 502 H N -1.302 117.664 119.070 -0.174 0.000 2.539 502 H HA 0.174 4.771 4.556 0.068 0.000 0.269 502 H C 0.308 175.531 175.328 -0.175 0.000 0.980 502 H CA -0.527 55.444 56.048 -0.128 0.000 1.152 502 H CB 0.266 29.987 29.762 -0.069 0.000 1.407 502 H HN 0.216 nan 8.280 nan 0.000 0.564 503 R N 2.795 123.181 120.500 -0.190 0.000 2.296 503 R HA 0.105 4.486 4.340 0.068 0.000 0.323 503 R C -2.540 173.612 176.300 -0.245 0.000 1.067 503 R CA -1.780 54.160 56.100 -0.266 0.000 0.946 503 R CB 0.273 30.265 30.300 -0.513 0.000 0.991 503 R HN 0.106 nan 8.270 nan 0.000 0.448 504 P HA -0.080 nan 4.420 nan 0.000 0.262 504 P C 0.115 177.325 177.300 -0.150 0.000 1.182 504 P CA 0.664 63.690 63.100 -0.124 0.000 0.761 504 P CB 0.809 32.459 31.700 -0.083 0.000 0.795 505 A N 2.402 125.143 122.820 -0.132 0.000 3.383 505 A HA -0.134 4.227 4.320 0.068 0.000 0.264 505 A C 0.946 178.440 177.584 -0.150 0.000 1.154 505 A CA 0.639 52.609 52.037 -0.112 0.000 1.179 505 A CB -2.491 16.463 19.000 -0.076 0.000 1.133 505 A HN 0.819 nan 8.150 nan 0.000 0.933 506 A N 0.181 122.831 122.820 -0.283 0.000 2.566 506 A HA 0.399 4.760 4.320 0.068 0.000 0.245 506 A C 0.493 177.972 177.584 -0.175 0.000 1.056 506 A CA 1.167 52.953 52.037 -0.418 0.000 0.757 506 A CB -0.148 18.351 19.000 -0.836 0.000 0.979 506 A HN 0.534 nan 8.150 nan 0.000 0.508 507 K N 3.301 123.707 120.400 0.010 0.000 2.231 507 K HA 0.313 4.674 4.320 0.068 0.000 0.255 507 K C -0.865 175.797 176.600 0.103 0.000 1.108 507 K CA 0.081 56.399 56.287 0.052 0.000 0.997 507 K CB 0.412 32.957 32.500 0.075 0.000 1.549 507 K HN 0.639 nan 8.250 nan 0.000 0.419 508 L N 4.787 126.009 121.223 -0.002 0.000 2.418 508 L HA 0.158 4.539 4.340 0.068 0.000 0.274 508 L C -1.918 175.049 176.870 0.162 0.000 1.135 508 L CA -1.974 52.844 54.840 -0.037 0.000 0.870 508 L CB -0.053 41.862 42.059 -0.240 0.000 1.154 508 L HN 0.231 nan 8.230 nan 0.000 0.462 509 P HA 0.012 nan 4.420 nan 0.000 0.267 509 P C -0.517 176.949 177.300 0.276 0.000 1.200 509 P CA -0.310 62.950 63.100 0.268 0.000 0.772 509 P CB 0.521 32.402 31.700 0.302 0.000 0.855 510 K N 2.385 122.855 120.400 0.116 0.000 2.382 510 K HA 0.223 4.584 4.320 0.068 0.000 0.275 510 K C -0.480 176.001 176.600 -0.200 0.000 1.009 510 K CA 0.041 56.284 56.287 -0.074 0.000 0.970 510 K CB -0.009 32.373 32.500 -0.197 0.000 0.934 510 K HN 0.358 nan 8.250 nan 0.000 0.479 511 I N 4.892 125.269 120.570 -0.323 0.000 2.404 511 I HA 0.330 4.540 4.170 0.068 0.000 0.293 511 I C -0.832 174.989 176.117 -0.493 0.000 0.992 511 I CA -0.761 60.367 61.300 -0.287 0.000 1.149 511 I CB 0.974 38.903 38.000 -0.118 0.000 1.315 511 I HN 0.505 nan 8.210 nan 0.000 0.446 512 F N 3.757 123.685 119.950 -0.036 0.000 2.611 512 F HA 0.513 5.081 4.527 0.068 0.000 0.324 512 F C 0.038 175.757 175.800 -0.135 0.000 1.061 512 F CA -0.731 57.245 58.000 -0.040 0.000 0.954 512 F CB 1.519 40.534 39.000 0.025 0.000 1.301 512 F HN 0.366 nan 8.300 nan 0.000 0.482 513 H N 1.312 120.231 119.070 -0.252 0.000 2.589 513 H HA 0.678 5.276 4.556 0.069 0.000 0.351 513 H C -1.544 173.537 175.328 -0.411 0.000 1.074 513 H CA -0.617 55.177 56.048 -0.423 0.000 1.203 513 H CB 1.957 31.199 29.762 -0.866 0.000 1.558 513 H HN 0.580 nan 8.280 nan 0.000 0.522 514 V N 2.462 122.011 119.914 -0.609 0.000 3.019 514 V HA 0.539 4.700 4.120 0.068 0.000 0.317 514 V C -0.477 175.173 176.094 -0.739 0.000 1.094 514 V CA -1.065 60.819 62.300 -0.694 0.000 1.000 514 V CB 2.085 33.202 31.823 -1.176 0.000 1.060 514 V HN 0.887 nan 8.190 nan 0.000 0.443 515 N N 1.315 119.633 118.700 -0.637 0.000 2.581 515 N HA 0.345 5.126 4.740 0.068 0.000 0.279 515 N C -0.414 174.872 175.510 -0.374 0.000 1.124 515 N CA -0.586 52.205 53.050 -0.432 0.000 0.833 515 N CB 1.264 39.669 38.487 -0.136 0.000 1.338 515 N HN 0.926 nan 8.380 nan 0.000 0.533 516 W N 2.324 123.274 121.300 -0.583 0.000 2.937 516 W HA 0.152 4.853 4.660 0.067 0.000 0.245 516 W C 0.073 176.079 176.519 -0.855 0.000 1.306 516 W CA -0.424 56.404 57.345 -0.862 0.000 1.470 516 W CB 0.191 28.816 29.460 -1.392 0.000 1.132 516 W HN 0.473 nan 8.180 nan 0.000 0.675 517 F N -0.017 119.951 119.950 0.030 0.000 2.735 517 F HA 0.298 4.865 4.527 0.067 0.000 0.308 517 F C 1.148 177.101 175.800 0.255 0.000 1.112 517 F CA -0.910 57.174 58.000 0.139 0.000 1.235 517 F CB -0.351 38.708 39.000 0.098 0.000 1.027 517 F HN -0.375 nan 8.300 nan 0.000 0.528 518 R N 2.063 122.709 120.500 0.244 0.000 2.590 518 R HA 0.281 4.662 4.340 0.068 0.000 0.274 518 R C -0.380 176.047 176.300 0.211 0.000 1.061 518 R CA 0.190 56.379 56.100 0.148 0.000 1.081 518 R CB 0.603 30.911 30.300 0.013 0.000 0.984 518 R HN 0.138 nan 8.270 nan 0.000 0.448 519 K N 2.057 122.521 120.400 0.107 0.000 2.328 519 K HA 0.170 4.531 4.320 0.068 0.000 0.246 519 K C -0.722 175.887 176.600 0.014 0.000 0.955 519 K CA -1.006 55.312 56.287 0.052 0.000 0.817 519 K CB 1.439 33.915 32.500 -0.041 0.000 1.208 519 K HN 0.669 nan 8.250 nan 0.000 0.432 520 D N 0.612 121.017 120.400 0.009 0.000 2.398 520 D HA -0.037 4.644 4.640 0.068 0.000 0.264 520 D C 0.803 177.093 176.300 -0.016 0.000 1.263 520 D CA -0.242 53.759 54.000 0.002 0.000 1.037 520 D CB 0.466 41.274 40.800 0.013 0.000 1.101 520 D HN 0.525 nan 8.370 nan 0.000 0.551 521 K N -0.902 119.491 120.400 -0.011 0.000 2.209 521 K HA -0.116 4.245 4.320 0.068 0.000 0.204 521 K C 0.714 177.301 176.600 -0.021 0.000 1.048 521 K CA 1.184 57.463 56.287 -0.014 0.000 0.940 521 K CB -0.344 32.152 32.500 -0.008 0.000 0.729 521 K HN 0.183 nan 8.250 nan 0.000 0.451 522 N N 0.247 118.932 118.700 -0.025 0.000 2.280 522 N HA 0.076 4.857 4.740 0.068 0.000 0.192 522 N C 0.558 176.037 175.510 -0.053 0.000 1.109 522 N CA 0.846 53.877 53.050 -0.031 0.000 0.855 522 N CB 1.189 39.662 38.487 -0.023 0.000 0.974 522 N HN 0.551 nan 8.380 nan 0.000 0.482 523 G N 1.155 109.914 108.800 -0.068 0.000 2.141 523 G HA2 -0.293 3.707 3.960 0.068 0.000 0.242 523 G HA3 -0.293 3.707 3.960 0.068 0.000 0.242 523 G C 0.084 174.870 174.900 -0.191 0.000 0.982 523 G CA 0.091 45.120 45.100 -0.117 0.000 0.662 523 G HN 0.402 nan 8.290 nan 0.000 0.527 524 K N 0.062 120.383 120.400 -0.132 0.000 2.172 524 K HA 0.627 4.988 4.320 0.068 0.000 0.276 524 K C 0.315 176.867 176.600 -0.081 0.000 1.013 524 K CA -0.946 55.259 56.287 -0.137 0.000 0.913 524 K CB 0.311 32.789 32.500 -0.037 0.000 1.055 524 K HN 0.011 nan 8.250 nan 0.000 0.461 525 F N 4.329 124.311 119.950 0.055 0.000 2.608 525 F HA -0.059 4.508 4.527 0.067 0.000 0.380 525 F C 1.382 177.218 175.800 0.060 0.000 1.083 525 F CA -0.194 57.846 58.000 0.066 0.000 1.266 525 F CB 0.418 39.458 39.000 0.067 0.000 1.076 525 F HN 0.489 nan 8.300 nan 0.000 0.574 526 L N 3.525 124.924 121.223 0.293 0.000 2.313 526 L HA -0.061 4.320 4.340 0.068 0.000 0.214 526 L C 0.363 177.401 176.870 0.281 0.000 1.119 526 L CA 0.627 55.597 54.840 0.216 0.000 0.809 526 L CB 0.033 42.189 42.059 0.162 0.000 0.933 526 L HN 0.590 nan 8.230 nan 0.000 0.449 527 W N 1.553 122.867 121.300 0.023 0.000 2.739 527 W HA 0.268 4.969 4.660 0.068 0.000 0.331 527 W C -2.054 174.382 176.519 -0.139 0.000 1.049 527 W CA -1.682 55.618 57.345 -0.075 0.000 1.234 527 W CB 2.105 31.487 29.460 -0.130 0.000 1.404 527 W HN -0.199 nan 8.180 nan 0.000 0.477 528 P HA 0.046 nan 4.420 nan 0.000 0.222 528 P C 0.954 177.910 177.300 -0.573 0.000 1.153 528 P CA 1.601 64.389 63.100 -0.520 0.000 0.798 528 P CB 0.730 32.129 31.700 -0.502 0.000 0.796 529 G N -0.233 107.980 108.800 -0.977 0.000 2.601 529 G HA2 -0.259 3.742 3.960 0.068 0.000 0.252 529 G HA3 -0.259 3.742 3.960 0.068 0.000 0.252 529 G C 0.032 174.588 174.900 -0.574 0.000 1.294 529 G CA -0.175 44.433 45.100 -0.820 0.000 0.912 529 G HN 0.153 nan 8.290 nan 0.000 0.574 530 F N -1.933 117.702 119.950 -0.524 0.000 2.216 530 F HA -0.285 4.283 4.527 0.069 0.000 0.313 530 F C 2.686 178.285 175.800 -0.335 0.000 1.030 530 F CA 2.777 60.563 58.000 -0.357 0.000 0.956 530 F CB -1.704 37.145 39.000 -0.251 0.000 4.025 530 F HN 1.680 nan 8.300 nan 0.000 0.164 531 G N -0.310 108.477 108.800 -0.021 0.000 2.479 531 G HA2 -0.170 3.831 3.960 0.068 0.000 0.220 531 G HA3 -0.170 3.831 3.960 0.068 0.000 0.220 531 G C 1.156 175.954 174.900 -0.169 0.000 1.115 531 G CA 1.180 46.222 45.100 -0.097 0.000 0.757 531 G HN 0.567 nan 8.290 nan 0.000 0.560 532 E N 1.128 121.181 120.200 -0.245 0.000 2.338 532 E HA -0.063 4.327 4.350 0.068 0.000 0.197 532 E C 1.910 178.415 176.600 -0.159 0.000 1.007 532 E CA 0.242 56.465 56.400 -0.296 0.000 0.849 532 E CB -0.217 29.127 29.700 -0.593 0.000 0.774 532 E HN 0.338 nan 8.360 nan 0.000 0.506 533 N N 1.107 119.649 118.700 -0.262 0.000 2.443 533 N HA -0.115 4.666 4.740 0.068 0.000 0.184 533 N C 1.761 177.161 175.510 -0.185 0.000 1.037 533 N CA 1.064 53.913 53.050 -0.336 0.000 0.896 533 N CB -0.295 37.654 38.487 -0.897 0.000 0.959 533 N HN 0.187 nan 8.380 nan 0.000 0.442 534 S N 0.817 116.408 115.700 -0.182 0.000 2.419 534 S HA -0.120 4.391 4.470 0.068 0.000 0.235 534 S C 1.827 176.240 174.600 -0.311 0.000 1.019 534 S CA 0.679 58.734 58.200 -0.241 0.000 0.982 534 S CB -0.212 62.836 63.200 -0.254 0.000 0.789 534 S HN 0.296 nan 8.310 nan 0.000 0.490 535 R N 0.497 120.904 120.500 -0.154 0.000 2.115 535 R HA 0.085 4.466 4.340 0.068 0.000 0.230 535 R C 2.222 178.500 176.300 -0.036 0.000 1.111 535 R CA 1.256 57.300 56.100 -0.092 0.000 0.976 535 R CB -0.589 29.775 30.300 0.107 0.000 0.870 535 R HN 0.359 nan 8.270 nan 0.000 0.445 536 V N 1.241 121.159 119.914 0.007 0.000 2.407 536 V HA -0.149 4.011 4.120 0.068 0.000 0.245 536 V C 2.181 178.304 176.094 0.049 0.000 1.041 536 V CA 1.405 63.736 62.300 0.052 0.000 1.040 536 V CB -0.341 31.540 31.823 0.097 0.000 0.671 536 V HN 0.259 nan 8.190 nan 0.000 0.455 537 L N 0.130 121.333 121.223 -0.034 0.000 2.083 537 L HA -0.219 4.162 4.340 0.068 0.000 0.209 537 L C 2.567 179.381 176.870 -0.094 0.000 1.083 537 L CA 2.050 56.858 54.840 -0.053 0.000 0.752 537 L CB -0.640 41.389 42.059 -0.049 0.000 0.899 537 L HN 0.468 nan 8.230 nan 0.000 0.433 538 E N -0.016 119.985 120.200 -0.331 0.000 2.058 538 E HA -0.301 4.090 4.350 0.068 0.000 0.194 538 E C 2.136 178.772 176.600 0.060 0.000 0.997 538 E CA 1.751 57.915 56.400 -0.393 0.000 0.801 538 E CB -0.290 29.032 29.700 -0.628 0.000 0.746 538 E HN 0.470 nan 8.360 nan 0.000 0.450 539 W N 0.988 122.237 121.300 -0.086 0.000 2.358 539 W HA -0.167 4.533 4.660 0.068 0.000 0.303 539 W C 2.127 178.648 176.519 0.002 0.000 1.208 539 W CA 1.989 59.328 57.345 -0.010 0.000 1.274 539 W CB -0.198 29.248 29.460 -0.023 0.000 1.138 539 W HN 0.090 nan 8.180 nan 0.000 0.515 540 M N -0.975 118.583 119.600 -0.071 0.000 2.108 540 M HA -0.199 4.322 4.480 0.068 0.000 0.261 540 M C 2.153 178.393 176.300 -0.100 0.000 1.066 540 M CA 1.908 56.945 55.300 -0.438 0.000 1.107 540 M CB -1.094 31.071 32.600 -0.724 0.000 1.356 540 M HN 0.039 nan 8.290 nan 0.000 0.406 541 F N 1.018 120.922 119.950 -0.077 0.000 2.095 541 F HA -0.130 4.437 4.527 0.068 0.000 0.298 541 F C 2.278 178.087 175.800 0.015 0.000 1.104 541 F CA 1.935 59.967 58.000 0.054 0.000 1.232 541 F CB -0.894 38.240 39.000 0.224 0.000 0.987 541 F HN 0.092 nan 8.300 nan 0.000 0.475 542 G N 0.072 109.040 108.800 0.280 0.000 2.422 542 G HA2 -0.214 3.787 3.960 0.068 0.000 0.218 542 G HA3 -0.214 3.787 3.960 0.068 0.000 0.218 542 G C 1.843 176.700 174.900 -0.071 0.000 1.146 542 G CA 0.434 45.607 45.100 0.122 0.000 0.769 542 G HN 0.160 nan 8.290 nan 0.000 0.547 543 R N 0.258 120.607 120.500 -0.252 0.000 2.081 543 R HA 0.070 4.451 4.340 0.068 0.000 0.235 543 R C 2.587 178.833 176.300 -0.091 0.000 1.131 543 R CA 0.649 56.589 56.100 -0.266 0.000 0.960 543 R CB -0.832 29.206 30.300 -0.437 0.000 0.856 543 R HN 0.457 nan 8.270 nan 0.000 0.436 544 I N 1.196 121.754 120.570 -0.020 0.000 2.264 544 I HA -0.220 3.991 4.170 0.068 0.000 0.248 544 I C 1.838 177.918 176.117 -0.060 0.000 1.111 544 I CA 1.205 62.490 61.300 -0.026 0.000 1.382 544 I CB -0.217 37.750 38.000 -0.054 0.000 1.060 544 I HN 0.035 nan 8.210 nan 0.000 0.418 545 E N 0.678 120.843 120.200 -0.057 0.000 2.478 545 E HA -0.029 4.362 4.350 0.068 0.000 0.198 545 E C 1.567 178.157 176.600 -0.017 0.000 1.046 545 E CA 0.798 57.184 56.400 -0.024 0.000 0.870 545 E CB -0.036 29.691 29.700 0.045 0.000 0.818 545 E HN 0.580 nan 8.360 nan 0.000 0.527 546 G N 1.821 110.597 108.800 -0.040 0.000 2.132 546 G HA2 -0.280 3.721 3.960 0.068 0.000 0.234 546 G HA3 -0.280 3.721 3.960 0.068 0.000 0.234 546 G C -0.091 174.782 174.900 -0.046 0.000 0.989 546 G CA 0.140 45.212 45.100 -0.047 0.000 0.676 546 G HN 0.312 nan 8.290 nan 0.000 0.522 547 E N 0.231 120.403 120.200 -0.048 0.000 2.392 547 E HA 0.267 4.658 4.350 0.068 0.000 0.264 547 E C -0.041 176.531 176.600 -0.045 0.000 1.024 547 E CA -0.101 56.282 56.400 -0.029 0.000 0.903 547 E CB 0.595 30.290 29.700 -0.008 0.000 0.963 547 E HN 0.164 nan 8.360 nan 0.000 0.432 548 D N 1.570 121.965 120.400 -0.008 0.000 2.801 548 D HA 0.004 4.685 4.640 0.068 0.000 0.232 548 D C 0.029 176.358 176.300 0.048 0.000 1.128 548 D CA -0.022 53.980 54.000 0.002 0.000 1.003 548 D CB -0.332 40.477 40.800 0.015 0.000 1.110 548 D HN 0.288 nan 8.370 nan 0.000 0.477 549 S N -0.389 115.351 115.700 0.067 0.000 2.663 549 S HA 0.560 5.071 4.470 0.068 0.000 0.243 549 S C 0.447 175.292 174.600 0.408 0.000 1.009 549 S CA -0.583 57.743 58.200 0.209 0.000 0.988 549 S CB 0.644 63.967 63.200 0.204 0.000 0.896 549 S HN 0.276 nan 8.310 nan 0.000 0.502 550 A N 1.496 124.482 122.820 0.276 0.000 2.374 550 A HA 0.772 5.133 4.320 0.068 0.000 0.317 550 A C -0.566 177.208 177.584 0.316 0.000 1.094 550 A CA -0.810 51.468 52.037 0.401 0.000 0.765 550 A CB 1.492 20.645 19.000 0.255 0.000 1.268 550 A HN 0.363 nan 8.150 nan 0.000 0.438 551 K N 2.193 122.811 120.400 0.364 0.000 2.244 551 K HA 0.539 4.900 4.320 0.068 0.000 0.260 551 K C -1.202 175.608 176.600 0.350 0.000 0.951 551 K CA -0.703 55.754 56.287 0.283 0.000 0.826 551 K CB 1.217 33.802 32.500 0.142 0.000 1.108 551 K HN 0.608 nan 8.250 nan 0.000 0.433 552 L N 4.044 125.424 121.223 0.262 0.000 2.410 552 L HA 0.242 4.623 4.340 0.068 0.000 0.273 552 L C -0.268 176.558 176.870 -0.073 0.000 1.152 552 L CA 1.000 55.810 54.840 -0.050 0.000 0.855 552 L CB 0.877 42.879 42.059 -0.095 0.000 1.129 552 L HN 0.907 nan 8.230 nan 0.000 0.463 553 T N 1.326 115.785 114.554 -0.159 0.000 2.838 553 T HA 0.576 4.967 4.350 0.068 0.000 0.292 553 T C -2.224 172.328 174.700 -0.247 0.000 1.113 553 T CA -1.449 60.553 62.100 -0.164 0.000 1.008 553 T CB 1.500 70.276 68.868 -0.153 0.000 1.259 553 T HN 0.358 nan 8.240 nan 0.000 0.520 554 P HA 0.082 nan 4.420 nan 0.000 0.220 554 P C 1.448 178.510 177.300 -0.397 0.000 1.148 554 P CA 0.737 63.657 63.100 -0.301 0.000 0.803 554 P CB -0.240 31.295 31.700 -0.275 0.000 0.782 555 I N -5.964 114.289 120.570 -0.529 0.000 3.728 555 I HA 0.406 4.617 4.170 0.068 0.000 0.307 555 I C 0.836 176.777 176.117 -0.294 0.000 1.276 555 I CA 0.139 61.045 61.300 -0.656 0.000 1.285 555 I CB -0.182 37.022 38.000 -1.327 0.000 1.038 555 I HN -0.070 nan 8.210 nan 0.000 0.445 556 G N 0.396 109.082 108.800 -0.190 0.000 2.334 556 G HA2 0.011 4.012 3.960 0.068 0.000 0.315 556 G HA3 0.011 4.012 3.960 0.068 0.000 0.315 556 G C -1.447 173.435 174.900 -0.031 0.000 1.284 556 G CA -0.946 44.171 45.100 0.028 0.000 0.985 556 G HN 0.156 nan 8.290 nan 0.000 0.504 557 Y N -0.149 120.321 120.300 0.284 0.000 2.309 557 Y HA 0.480 5.071 4.550 0.068 0.000 0.327 557 Y C 1.298 177.442 175.900 0.407 0.000 1.172 557 Y CA 0.348 58.639 58.100 0.317 0.000 1.280 557 Y CB 1.505 40.186 38.460 0.368 0.000 1.234 557 Y HN 0.729 nan 8.280 nan 0.000 0.512 558 V N 0.459 120.641 119.914 0.446 0.000 3.126 558 V HA 0.703 4.864 4.120 0.068 0.000 0.314 558 V C -2.965 173.145 176.094 0.026 0.000 1.138 558 V CA -3.555 58.856 62.300 0.185 0.000 1.034 558 V CB 1.864 33.772 31.823 0.142 0.000 1.075 558 V HN 0.438 nan 8.190 nan 0.000 0.442 559 P HA 0.221 nan 4.420 nan 0.000 0.268 559 P C -0.473 176.712 177.300 -0.191 0.000 1.204 559 P CA 0.009 62.798 63.100 -0.519 0.000 0.768 559 P CB 0.250 31.310 31.700 -1.067 0.000 0.842 560 K N 1.496 121.913 120.400 0.029 0.000 2.234 560 K HA -0.005 4.356 4.320 0.068 0.000 0.251 560 K C 0.559 177.099 176.600 -0.100 0.000 1.011 560 K CA -0.088 56.200 56.287 0.003 0.000 0.889 560 K CB 0.201 32.746 32.500 0.074 0.000 1.011 560 K HN 0.488 nan 8.250 nan 0.000 0.505 561 E N 1.300 121.453 120.200 -0.079 0.000 2.465 561 E HA -0.173 4.218 4.350 0.068 0.000 0.260 561 E C -0.577 175.987 176.600 -0.060 0.000 0.980 561 E CA 0.335 56.680 56.400 -0.092 0.000 0.927 561 E CB 0.177 29.846 29.700 -0.052 0.000 0.934 561 E HN 0.483 nan 8.360 nan 0.000 0.459 562 D N 1.585 121.938 120.400 -0.077 0.000 2.978 562 D HA -0.296 4.385 4.640 0.068 0.000 0.205 562 D C 0.778 177.070 176.300 -0.013 0.000 1.093 562 D CA 1.124 55.102 54.000 -0.036 0.000 1.006 562 D CB -1.355 39.441 40.800 -0.008 0.000 1.116 562 D HN 0.490 nan 8.370 nan 0.000 0.419 563 A N 0.265 123.071 122.820 -0.022 0.000 1.929 563 A HA 0.095 4.456 4.320 0.068 0.000 0.216 563 A C 1.357 178.986 177.584 0.076 0.000 1.176 563 A CA 0.505 52.584 52.037 0.070 0.000 0.628 563 A CB -0.047 19.050 19.000 0.162 0.000 0.816 563 A HN 0.323 nan 8.150 nan 0.000 0.444 564 L N 1.094 122.283 121.223 -0.056 0.000 2.416 564 L HA 0.087 4.468 4.340 0.068 0.000 0.272 564 L C 0.236 177.120 176.870 0.023 0.000 1.161 564 L CA -0.570 54.255 54.840 -0.026 0.000 0.845 564 L CB 0.259 42.251 42.059 -0.112 0.000 1.119 564 L HN 0.285 nan 8.230 nan 0.000 0.464 565 N N 4.167 122.895 118.700 0.047 0.000 2.399 565 N HA 0.100 4.881 4.740 0.068 0.000 0.259 565 N C -0.028 175.516 175.510 0.057 0.000 1.160 565 N CA 0.192 53.267 53.050 0.042 0.000 0.946 565 N CB 0.566 39.068 38.487 0.027 0.000 1.156 565 N HN 0.537 nan 8.380 nan 0.000 0.489 566 L N 2.115 123.370 121.223 0.053 0.000 2.910 566 L HA 0.261 4.642 4.340 0.068 0.000 0.252 566 L C 0.301 177.186 176.870 0.026 0.000 1.195 566 L CA -0.359 54.521 54.840 0.066 0.000 1.003 566 L CB -0.029 42.082 42.059 0.088 0.000 1.328 566 L HN 0.182 nan 8.230 nan 0.000 0.540 567 K N 0.975 121.384 120.400 0.015 0.000 2.472 567 K HA 0.290 4.651 4.320 0.068 0.000 0.280 567 K C 1.177 177.768 176.600 -0.015 0.000 1.028 567 K CA 1.075 57.364 56.287 0.004 0.000 1.045 567 K CB 0.347 32.852 32.500 0.008 0.000 0.902 567 K HN 0.266 nan 8.250 nan 0.000 0.478 568 G N 2.288 111.076 108.800 -0.020 0.000 2.195 568 G HA2 -0.249 3.752 3.960 0.068 0.000 0.246 568 G HA3 -0.249 3.752 3.960 0.068 0.000 0.246 568 G C 0.212 175.078 174.900 -0.057 0.000 0.984 568 G CA -0.022 45.054 45.100 -0.039 0.000 0.633 568 G HN 0.499 nan 8.290 nan 0.000 0.525 569 L N 1.467 122.663 121.223 -0.046 0.000 3.168 569 L HA 0.424 4.804 4.340 0.068 0.000 0.277 569 L C 2.056 178.923 176.870 -0.005 0.000 1.308 569 L CA 0.228 55.036 54.840 -0.054 0.000 0.976 569 L CB 0.436 42.442 42.059 -0.088 0.000 1.383 569 L HN 0.194 nan 8.230 nan 0.000 0.572 570 G N 0.245 109.042 108.800 -0.004 0.000 2.498 570 G HA2 -0.230 3.771 3.960 0.068 0.000 0.219 570 G HA3 -0.230 3.771 3.960 0.068 0.000 0.219 570 G C 1.002 175.911 174.900 0.016 0.000 1.119 570 G CA 0.849 45.955 45.100 0.010 0.000 0.766 570 G HN 0.605 nan 8.290 nan 0.000 0.552 571 D N 0.099 120.504 120.400 0.009 0.000 2.339 571 D HA 0.032 4.713 4.640 0.068 0.000 0.217 571 D C 0.812 177.134 176.300 0.037 0.000 1.050 571 D CA -0.298 53.712 54.000 0.017 0.000 0.856 571 D CB -0.294 40.508 40.800 0.004 0.000 0.922 571 D HN 0.086 nan 8.370 nan 0.000 0.518 572 V N 2.034 121.982 119.914 0.056 0.000 2.585 572 V HA -0.042 4.119 4.120 0.068 0.000 0.296 572 V C 0.806 176.969 176.094 0.115 0.000 1.035 572 V CA -0.337 62.030 62.300 0.111 0.000 1.084 572 V CB 0.609 32.551 31.823 0.197 0.000 0.953 572 V HN 0.209 nan 8.190 nan 0.000 0.483 573 N N 4.373 123.142 118.700 0.115 0.000 2.508 573 N HA 0.052 4.832 4.740 0.068 0.000 0.253 573 N C 0.920 176.508 175.510 0.130 0.000 1.145 573 N CA -0.003 53.106 53.050 0.098 0.000 0.973 573 N CB 1.424 39.956 38.487 0.075 0.000 1.305 573 N HN 0.597 nan 8.380 nan 0.000 0.506 574 V N 1.974 121.967 119.914 0.131 0.000 2.358 574 V HA -0.136 4.025 4.120 0.068 0.000 0.246 574 V C 2.185 178.384 176.094 0.175 0.000 1.047 574 V CA 1.694 64.102 62.300 0.179 0.000 1.035 574 V CB -0.521 31.355 31.823 0.088 0.000 0.658 574 V HN 0.632 nan 8.190 nan 0.000 0.452 575 E N 1.444 121.705 120.200 0.102 0.000 2.110 575 E HA -0.327 4.064 4.350 0.068 0.000 0.193 575 E C 2.122 178.775 176.600 0.088 0.000 0.988 575 E CA 2.099 58.551 56.400 0.086 0.000 0.804 575 E CB -0.317 29.414 29.700 0.052 0.000 0.745 575 E HN 0.819 nan 8.360 nan 0.000 0.458 576 E N 0.221 120.466 120.200 0.074 0.000 2.046 576 E HA -0.133 4.258 4.350 0.068 0.000 0.190 576 E C 2.286 178.905 176.600 0.032 0.000 0.982 576 E CA 0.759 57.187 56.400 0.046 0.000 0.800 576 E CB -0.089 29.634 29.700 0.040 0.000 0.756 576 E HN 0.243 nan 8.360 nan 0.000 0.449 577 L N -0.233 121.025 121.223 0.058 0.000 2.093 577 L HA -0.042 4.339 4.340 0.068 0.000 0.208 577 L C 1.332 178.081 176.870 -0.203 0.000 1.085 577 L CA 1.666 56.482 54.840 -0.041 0.000 0.755 577 L CB -0.237 41.833 42.059 0.017 0.000 0.904 577 L HN 0.159 nan 8.230 nan 0.000 0.435 578 F N -0.292 119.632 119.950 -0.044 0.000 2.664 578 F HA 0.379 4.947 4.527 0.068 0.000 0.303 578 F C 1.568 177.346 175.800 -0.035 0.000 1.092 578 F CA -0.085 57.880 58.000 -0.058 0.000 1.305 578 F CB -0.421 38.530 39.000 -0.082 0.000 1.054 578 F HN 0.072 nan 8.300 nan 0.000 0.565 579 G N 1.330 110.182 108.800 0.087 0.000 2.432 579 G HA2 0.373 4.374 3.960 0.068 0.000 0.239 579 G HA3 0.373 4.374 3.960 0.068 0.000 0.239 579 G C -0.478 174.456 174.900 0.058 0.000 1.291 579 G CA -0.143 44.993 45.100 0.061 0.000 0.863 579 G HN 0.196 nan 8.290 nan 0.000 0.560 580 I N 1.402 122.020 120.570 0.080 0.000 2.468 580 I HA 0.194 4.405 4.170 0.068 0.000 0.284 580 I C 0.131 176.356 176.117 0.179 0.000 1.038 580 I CA -0.517 60.869 61.300 0.144 0.000 1.083 580 I CB 2.005 39.999 38.000 -0.010 0.000 1.223 580 I HN 0.476 nan 8.210 nan 0.000 0.443 581 S N 5.711 121.585 115.700 0.290 0.000 2.457 581 S HA 0.237 4.748 4.470 0.068 0.000 0.289 581 S C 1.086 175.890 174.600 0.340 0.000 1.163 581 S CA -0.520 57.826 58.200 0.242 0.000 1.078 581 S CB 1.281 64.593 63.200 0.188 0.000 0.987 581 S HN 0.750 nan 8.310 nan 0.000 0.482 582 K N 3.363 123.886 120.400 0.206 0.000 2.044 582 K HA -0.197 4.163 4.320 0.068 0.000 0.210 582 K C 1.837 178.550 176.600 0.187 0.000 1.049 582 K CA 2.095 58.492 56.287 0.183 0.000 0.927 582 K CB -0.233 32.325 32.500 0.097 0.000 0.713 582 K HN 0.862 nan 8.250 nan 0.000 0.443 583 E N -0.527 119.759 120.200 0.143 0.000 2.106 583 E HA -0.196 4.195 4.350 0.068 0.000 0.192 583 E C 1.860 178.505 176.600 0.076 0.000 0.984 583 E CA 0.962 57.417 56.400 0.092 0.000 0.806 583 E CB -0.194 29.544 29.700 0.063 0.000 0.750 583 E HN 0.376 nan 8.360 nan 0.000 0.458 584 F N -0.343 119.588 119.950 -0.031 0.000 2.095 584 F HA -0.197 4.371 4.527 0.068 0.000 0.298 584 F C 1.466 177.107 175.800 -0.265 0.000 1.104 584 F CA 1.796 59.686 58.000 -0.183 0.000 1.232 584 F CB -0.325 38.511 39.000 -0.274 0.000 0.987 584 F HN 0.098 nan 8.300 nan 0.000 0.475 585 W N 0.949 122.318 121.300 0.115 0.000 2.467 585 W HA -0.014 4.687 4.660 0.068 0.000 0.275 585 W C 2.343 178.819 176.519 -0.071 0.000 1.239 585 W CA 1.135 58.491 57.345 0.020 0.000 1.266 585 W CB -0.429 29.083 29.460 0.087 0.000 1.112 585 W HN 0.050 nan 8.180 nan 0.000 0.576 586 E N 0.519 120.784 120.200 0.109 0.000 2.077 586 E HA -0.212 4.178 4.350 0.068 0.000 0.193 586 E C 1.891 178.457 176.600 -0.055 0.000 0.989 586 E CA 1.333 57.754 56.400 0.035 0.000 0.800 586 E CB -0.214 29.501 29.700 0.025 0.000 0.746 586 E HN 0.272 nan 8.360 nan 0.000 0.452 587 K N 0.540 120.844 120.400 -0.159 0.000 2.097 587 K HA -0.183 4.178 4.320 0.068 0.000 0.205 587 K C 2.148 178.569 176.600 -0.299 0.000 1.050 587 K CA 1.191 57.339 56.287 -0.231 0.000 0.938 587 K CB 0.001 32.322 32.500 -0.299 0.000 0.718 587 K HN -0.044 nan 8.250 nan 0.000 0.442 588 E N 0.784 120.707 120.200 -0.461 0.000 2.047 588 E HA -0.155 4.236 4.350 0.068 0.000 0.191 588 E C 1.847 178.385 176.600 -0.104 0.000 0.987 588 E CA 1.392 57.532 56.400 -0.434 0.000 0.799 588 E CB -0.044 29.236 29.700 -0.701 0.000 0.752 588 E HN 0.185 nan 8.360 nan 0.000 0.449 589 V N -0.532 119.396 119.914 0.024 0.000 2.407 589 V HA -0.175 3.986 4.120 0.068 0.000 0.248 589 V C 2.242 178.376 176.094 0.066 0.000 1.055 589 V CA 2.082 64.450 62.300 0.112 0.000 1.049 589 V CB -0.805 31.095 31.823 0.128 0.000 0.662 589 V HN 0.175 nan 8.190 nan 0.000 0.455 590 E N 0.888 121.094 120.200 0.011 0.000 2.077 590 E HA -0.228 4.162 4.350 0.068 0.000 0.193 590 E C 2.286 178.898 176.600 0.021 0.000 0.989 590 E CA 1.686 58.092 56.400 0.009 0.000 0.800 590 E CB -0.481 29.208 29.700 -0.017 0.000 0.746 590 E HN 0.706 nan 8.360 nan 0.000 0.452 591 E N 0.326 120.522 120.200 -0.006 0.000 2.051 591 E HA -0.159 4.232 4.350 0.068 0.000 0.192 591 E C 2.177 178.847 176.600 0.117 0.000 0.991 591 E CA 1.267 57.683 56.400 0.027 0.000 0.799 591 E CB -0.225 29.451 29.700 -0.041 0.000 0.748 591 E HN 0.429 nan 8.360 nan 0.000 0.449 592 I N 1.335 121.984 120.570 0.131 0.000 2.226 592 I HA -0.254 3.957 4.170 0.068 0.000 0.245 592 I C 2.454 178.700 176.117 0.214 0.000 1.100 592 I CA 1.321 62.753 61.300 0.220 0.000 1.374 592 I CB -0.316 37.820 38.000 0.227 0.000 1.057 592 I HN 0.080 nan 8.210 nan 0.000 0.413 593 D N 1.432 121.924 120.400 0.153 0.000 2.092 593 D HA -0.206 4.475 4.640 0.068 0.000 0.193 593 D C 2.128 178.476 176.300 0.080 0.000 0.994 593 D CA 1.638 55.704 54.000 0.111 0.000 0.828 593 D CB 0.030 40.873 40.800 0.073 0.000 0.963 593 D HN 0.213 nan 8.370 nan 0.000 0.450 594 K N -0.999 119.444 120.400 0.072 0.000 2.097 594 K HA -0.189 4.172 4.320 0.068 0.000 0.206 594 K C 2.289 178.911 176.600 0.038 0.000 1.049 594 K CA 1.158 57.471 56.287 0.044 0.000 0.933 594 K CB -0.386 32.139 32.500 0.040 0.000 0.717 594 K HN 0.263 nan 8.250 nan 0.000 0.442 595 Y N 1.723 121.973 120.300 -0.084 0.000 2.145 595 Y HA -0.188 4.402 4.550 0.068 0.000 0.286 595 Y C 1.746 177.567 175.900 -0.131 0.000 1.145 595 Y CA 1.393 59.372 58.100 -0.203 0.000 1.148 595 Y CB -0.234 37.917 38.460 -0.514 0.000 0.981 595 Y HN -0.092 nan 8.280 nan 0.000 0.507 596 L N 0.015 121.190 121.223 -0.080 0.000 2.056 596 L HA -0.173 4.208 4.340 0.068 0.000 0.207 596 L C 2.486 179.268 176.870 -0.147 0.000 1.078 596 L CA 1.737 56.493 54.840 -0.141 0.000 0.749 596 L CB -0.624 41.470 42.059 0.057 0.000 0.901 596 L HN 0.217 nan 8.230 nan 0.000 0.433 597 E N 0.612 120.764 120.200 -0.079 0.000 2.051 597 E HA -0.274 4.117 4.350 0.068 0.000 0.192 597 E C 1.726 178.267 176.600 -0.098 0.000 0.991 597 E CA 1.836 58.197 56.400 -0.065 0.000 0.799 597 E CB -0.068 29.615 29.700 -0.028 0.000 0.748 597 E HN 0.398 nan 8.360 nan 0.000 0.449 598 D N -1.050 119.274 120.400 -0.126 0.000 2.091 598 D HA -0.121 4.560 4.640 0.068 0.000 0.199 598 D C 1.753 177.948 176.300 -0.176 0.000 0.980 598 D CA 1.137 55.062 54.000 -0.125 0.000 0.831 598 D CB -0.003 40.736 40.800 -0.100 0.000 0.987 598 D HN 0.094 nan 8.370 nan 0.000 0.460 599 Q N -0.543 119.071 119.800 -0.310 0.000 2.302 599 Q HA 0.081 4.462 4.340 0.068 0.000 0.202 599 Q C 1.950 177.810 176.000 -0.233 0.000 0.936 599 Q CA 0.517 56.119 55.803 -0.336 0.000 0.886 599 Q CB 0.925 29.272 28.738 -0.653 0.000 0.986 599 Q HN 0.316 nan 8.270 nan 0.000 0.487 600 V N 0.557 120.343 119.914 -0.213 0.000 3.090 600 V HA -0.042 4.119 4.120 0.068 0.000 0.237 600 V C 0.925 176.951 176.094 -0.113 0.000 1.209 600 V CA 0.738 62.953 62.300 -0.142 0.000 1.209 600 V CB -0.493 31.245 31.823 -0.141 0.000 0.971 600 V HN 0.415 nan 8.190 nan 0.000 0.477 601 N N 2.784 121.423 118.700 -0.103 0.000 1.320 601 N HA -0.434 4.347 4.740 0.068 0.000 0.139 601 N C 1.307 176.785 175.510 -0.053 0.000 0.550 601 N CA 2.194 55.202 53.050 -0.069 0.000 1.036 601 N CB -1.794 36.653 38.487 -0.067 0.000 1.344 601 N HN 0.511 nan 8.380 nan 0.000 0.468 602 A N -1.213 121.578 122.820 -0.048 0.000 2.125 602 A HA -0.067 4.294 4.320 0.068 0.000 0.219 602 A C 1.333 178.894 177.584 -0.037 0.000 1.156 602 A CA 1.855 53.871 52.037 -0.035 0.000 0.671 602 A CB -0.518 18.461 19.000 -0.034 0.000 0.794 602 A HN 0.620 nan 8.150 nan 0.000 0.459 603 D N -0.957 119.408 120.400 -0.059 0.000 2.328 603 D HA 0.130 4.811 4.640 0.068 0.000 0.221 603 D C -0.092 176.156 176.300 -0.086 0.000 1.072 603 D CA -0.052 53.907 54.000 -0.068 0.000 0.850 603 D CB 0.152 40.901 40.800 -0.086 0.000 0.922 603 D HN 0.335 nan 8.370 nan 0.000 0.516 604 L N 2.383 123.563 121.223 -0.072 0.000 2.313 604 L HA 0.283 4.663 4.340 0.068 0.000 0.282 604 L C -2.314 174.542 176.870 -0.023 0.000 1.092 604 L CA -1.357 53.437 54.840 -0.076 0.000 0.831 604 L CB 0.621 42.647 42.059 -0.055 0.000 1.159 604 L HN -0.282 nan 8.230 nan 0.000 0.442 605 P HA -0.007 nan 4.420 nan 0.000 0.269 605 P C -0.051 177.288 177.300 0.064 0.000 1.209 605 P CA 0.020 63.146 63.100 0.043 0.000 0.776 605 P CB 0.303 32.030 31.700 0.045 0.000 0.876 606 Y N 2.691 123.009 120.300 0.030 0.000 2.151 606 Y HA -0.261 4.330 4.550 0.068 0.000 0.284 606 Y C 1.822 177.749 175.900 0.046 0.000 1.166 606 Y CA 1.911 60.031 58.100 0.032 0.000 1.163 606 Y CB -0.297 38.181 38.460 0.029 0.000 0.974 606 Y HN 0.452 nan 8.280 nan 0.000 0.511 607 E N -0.455 119.730 120.200 -0.026 0.000 2.153 607 E HA -0.195 4.196 4.350 0.068 0.000 0.194 607 E C 2.029 178.565 176.600 -0.107 0.000 0.988 607 E CA 1.096 57.456 56.400 -0.066 0.000 0.811 607 E CB -0.091 29.673 29.700 0.107 0.000 0.746 607 E HN 0.464 nan 8.360 nan 0.000 0.466 608 I N 0.965 121.508 120.570 -0.044 0.000 2.233 608 I HA -0.187 4.024 4.170 0.068 0.000 0.243 608 I C 2.457 178.554 176.117 -0.034 0.000 1.093 608 I CA 1.115 62.446 61.300 0.051 0.000 1.380 608 I CB -1.044 37.012 38.000 0.095 0.000 1.067 608 I HN 0.074 nan 8.210 nan 0.000 0.413 609 E N 1.624 121.734 120.200 -0.149 0.000 2.085 609 E HA -0.257 4.134 4.350 0.068 0.000 0.194 609 E C 2.352 178.757 176.600 -0.325 0.000 0.994 609 E CA 1.502 57.784 56.400 -0.197 0.000 0.801 609 E CB -0.320 29.267 29.700 -0.188 0.000 0.743 609 E HN 0.313 nan 8.360 nan 0.000 0.453 610 R N 0.059 120.227 120.500 -0.554 0.000 2.081 610 R HA -0.135 4.246 4.340 0.068 0.000 0.235 610 R C 1.937 178.058 176.300 -0.299 0.000 1.131 610 R CA 1.597 57.426 56.100 -0.451 0.000 0.960 610 R CB -0.102 29.902 30.300 -0.492 0.000 0.856 610 R HN 0.101 nan 8.270 nan 0.000 0.436 611 E N 0.792 120.810 120.200 -0.303 0.000 2.110 611 E HA -0.197 4.194 4.350 0.068 0.000 0.193 611 E C 1.949 178.110 176.600 -0.732 0.000 0.988 611 E CA 0.772 56.915 56.400 -0.428 0.000 0.804 611 E CB -0.302 29.202 29.700 -0.326 0.000 0.745 611 E HN 0.274 nan 8.360 nan 0.000 0.458 612 L N 1.385 122.214 121.223 -0.657 0.000 2.017 612 L HA -0.177 4.204 4.340 0.068 0.000 0.208 612 L C 2.507 179.217 176.870 -0.267 0.000 1.073 612 L CA 1.832 56.386 54.840 -0.477 0.000 0.745 612 L CB -0.391 41.621 42.059 -0.078 0.000 0.894 612 L HN -0.053 nan 8.230 nan 0.000 0.432 613 R N 0.152 120.527 120.500 -0.207 0.000 2.081 613 R HA -0.057 4.324 4.340 0.068 0.000 0.235 613 R C 2.092 178.302 176.300 -0.151 0.000 1.131 613 R CA 1.729 57.747 56.100 -0.135 0.000 0.960 613 R CB -0.920 29.319 30.300 -0.101 0.000 0.856 613 R HN 0.454 nan 8.270 nan 0.000 0.436 614 A N 0.686 123.384 122.820 -0.203 0.000 1.902 614 A HA -0.092 4.269 4.320 0.068 0.000 0.217 614 A C 2.057 179.508 177.584 -0.222 0.000 1.181 614 A CA 1.453 53.371 52.037 -0.199 0.000 0.623 614 A CB -0.719 18.149 19.000 -0.221 0.000 0.818 614 A HN 0.390 nan 8.150 nan 0.000 0.443 615 L N 0.042 121.098 121.223 -0.279 0.000 2.017 615 L HA -0.117 4.264 4.340 0.068 0.000 0.208 615 L C 2.267 179.064 176.870 -0.122 0.000 1.073 615 L CA 2.673 57.379 54.840 -0.223 0.000 0.745 615 L CB -0.638 41.293 42.059 -0.213 0.000 0.894 615 L HN 0.452 nan 8.230 nan 0.000 0.432 616 K N -1.039 119.306 120.400 -0.092 0.000 2.063 616 K HA -0.287 4.074 4.320 0.068 0.000 0.208 616 K C 2.260 178.830 176.600 -0.049 0.000 1.048 616 K CA 1.840 58.104 56.287 -0.039 0.000 0.928 616 K CB -0.152 32.330 32.500 -0.031 0.000 0.713 616 K HN 0.391 nan 8.250 nan 0.000 0.442 617 Q N 0.843 120.600 119.800 -0.073 0.000 2.084 617 Q HA -0.118 4.263 4.340 0.068 0.000 0.202 617 Q C 1.894 177.851 176.000 -0.073 0.000 0.978 617 Q CA 1.721 57.485 55.803 -0.065 0.000 0.844 617 Q CB 0.031 28.727 28.738 -0.070 0.000 0.898 617 Q HN 0.267 nan 8.270 nan 0.000 0.426 618 R N -0.419 120.018 120.500 -0.105 0.000 2.096 618 R HA -0.075 4.305 4.340 0.068 0.000 0.235 618 R C 2.326 178.571 176.300 -0.092 0.000 1.127 618 R CA 1.522 57.553 56.100 -0.115 0.000 0.968 618 R CB -0.417 29.780 30.300 -0.171 0.000 0.861 618 R HN 0.351 nan 8.270 nan 0.000 0.440 619 I N 0.874 121.399 120.570 -0.075 0.000 2.286 619 I HA -0.275 3.936 4.170 0.068 0.000 0.248 619 I C 2.512 178.621 176.117 -0.013 0.000 1.115 619 I CA 1.485 62.765 61.300 -0.033 0.000 1.392 619 I CB -0.341 37.674 38.000 0.025 0.000 1.065 619 I HN 0.215 nan 8.210 nan 0.000 0.418 620 S N 0.168 115.857 115.700 -0.018 0.000 2.442 620 S HA -0.170 4.341 4.470 0.068 0.000 0.236 620 S C 1.795 176.386 174.600 -0.014 0.000 1.007 620 S CA 0.760 58.954 58.200 -0.011 0.000 0.965 620 S CB -0.208 62.984 63.200 -0.014 0.000 0.773 620 S HN 0.423 nan 8.310 nan 0.000 0.504 621 Q N 0.401 120.186 119.800 -0.026 0.000 2.403 621 Q HA 0.356 4.737 4.340 0.068 0.000 0.203 621 Q C 0.707 176.694 176.000 -0.021 0.000 0.932 621 Q CA 0.121 55.909 55.803 -0.025 0.000 0.945 621 Q CB -0.291 28.425 28.738 -0.035 0.000 1.045 621 Q HN 0.665 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.589 119.600 -0.018 0.000 2.572 622 M HA 0.000 4.521 4.480 0.068 0.000 0.227 622 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 622 M CB 0.000 32.600 32.600 0.000 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411