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 3ljk_1_A DATA FIRST_RESID -2 DATA SEQUENCE SNAXLFCDDS KKYLKEQNIN LKNEFDKDDK RVEKFSLKHQ NIYFDYSKNL DATA SEQUENCE INDYILKSLL ESAEKSSLKD KIKQXFNGAK INSTEHRAVL HTALRDLSST DATA SEQUENCE PLIVDGQDIR QEVTKEKQRV KELVEKVVSG RWRGFSGKKI TDIVNIGIGG DATA SEQUENCE SDLGPKXVVR ALQPYHCTDL KVHFVSNVDA DSLLQALHVV DPETTLLIIA DATA SEQUENCE SKSFSTEETL LNSISAREWL LDHYEDEKAV ANHFVAISSK LDKVKEFGID DATA SEQUENCE LEHCYKXWDW VGGRYSLWSS IGXSIAFAIG YDNFEKLLAG AYSVDKHFKE DATA SEQUENCE TEFSKNIPVI XALLASYYSC TYNSQSQALL PYDERLCYFV DYLQQADXES DATA SEQUENCE NGKSVNIAGE TVNYQTGVVL WGGVGTNGQH AFHQLLHQGN IFIPVDFIAI DATA SEQUENCE ATSHHNYDNH QQALLANCFA QSQALXFGQS YDXVYNELLK SGLNETQAKE DATA SEQUENCE LAAHKVIPGN RPSTTILLDE LSPYSLGALI ALYEHKIFVQ GVLWDINSYD DATA SEQUENCE QWGVELGKKL GKNILKAXND DSSDEYQNLD DSTRQLIAKV KNK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.639 174.600 0.065 0.000 1.055 -2 S CA 0.000 58.240 58.200 0.067 0.000 1.107 -2 S CB 0.000 63.248 63.200 0.080 0.000 0.593 -1 N N 0.709 119.445 118.700 0.059 0.000 2.336 -1 N HA 0.344 5.084 4.740 0.001 0.000 0.189 -1 N C 0.816 176.360 175.510 0.056 0.000 1.113 -1 N CA 0.684 53.766 53.050 0.052 0.000 0.858 -1 N CB 0.058 38.572 38.487 0.043 0.000 0.970 -1 N HN 0.823 nan 8.380 nan 0.000 0.471 3 F N 3.592 123.437 119.950 -0.175 0.000 2.098 3 F HA 0.087 4.614 4.527 0.001 0.000 0.294 3 F C 1.348 177.075 175.800 -0.122 0.000 1.107 3 F CA 1.360 59.273 58.000 -0.144 0.000 1.234 3 F CB 0.290 39.198 39.000 -0.152 0.000 1.002 3 F HN 0.517 nan 8.300 nan 0.000 0.472 4 C N 3.658 122.875 119.300 -0.139 0.000 2.645 4 C HA 0.182 4.642 4.460 0.001 0.000 0.451 4 C C -0.129 174.770 174.990 -0.152 0.000 1.018 4 C CA -0.849 58.088 59.018 -0.135 0.000 1.180 4 C CB -2.812 24.929 27.740 0.002 0.000 1.563 4 C HN 0.391 nan 8.230 nan 0.000 0.551 5 D N -0.379 119.888 120.400 -0.222 0.000 2.506 5 D HA 0.207 4.847 4.640 0.001 0.000 0.254 5 D C 0.518 176.690 176.300 -0.214 0.000 1.089 5 D CA -0.716 53.184 54.000 -0.167 0.000 1.050 5 D CB 0.414 41.125 40.800 -0.148 0.000 1.221 5 D HN -0.008 nan 8.370 nan 0.000 0.589 6 D N -0.612 119.670 120.400 -0.197 0.000 2.182 6 D HA -0.174 4.467 4.640 0.001 0.000 0.201 6 D C 1.969 177.858 176.300 -0.685 0.000 0.986 6 D CA 1.986 55.780 54.000 -0.342 0.000 0.847 6 D CB -0.355 40.343 40.800 -0.170 0.000 0.942 6 D HN 0.481 nan 8.370 nan 0.000 0.467 7 S N 0.458 115.919 115.700 -0.398 0.000 2.383 7 S HA -0.169 4.302 4.470 0.001 0.000 0.229 7 S C 1.773 176.168 174.600 -0.342 0.000 1.030 7 S CA 0.795 58.813 58.200 -0.304 0.000 1.002 7 S CB -0.102 63.049 63.200 -0.082 0.000 0.829 7 S HN 0.023 nan 8.310 nan 0.000 0.467 8 K N 2.310 122.519 120.400 -0.317 0.000 2.147 8 K HA -0.101 4.219 4.320 0.001 0.000 0.205 8 K C 2.251 178.772 176.600 -0.131 0.000 1.049 8 K CA 1.701 57.875 56.287 -0.188 0.000 0.936 8 K CB -0.502 31.876 32.500 -0.203 0.000 0.722 8 K HN 0.851 nan 8.250 nan 0.000 0.446 9 K N -0.034 120.179 120.400 -0.312 0.000 2.148 9 K HA -0.128 4.192 4.320 0.001 0.000 0.204 9 K C 1.610 178.168 176.600 -0.069 0.000 1.050 9 K CA 1.188 57.328 56.287 -0.246 0.000 0.942 9 K CB -0.345 31.974 32.500 -0.302 0.000 0.724 9 K HN 0.001 nan 8.250 nan 0.000 0.446 10 Y N 1.838 122.151 120.300 0.022 0.000 2.373 10 Y HA 0.016 4.567 4.550 0.001 0.000 0.293 10 Y C 2.137 178.105 175.900 0.112 0.000 1.129 10 Y CA 0.127 58.260 58.100 0.056 0.000 1.226 10 Y CB -0.641 37.855 38.460 0.061 0.000 1.000 10 Y HN -0.051 nan 8.280 nan 0.000 0.549 11 L N 0.171 121.518 121.223 0.205 0.000 2.046 11 L HA -0.217 4.123 4.340 0.001 0.000 0.208 11 L C 2.503 179.519 176.870 0.243 0.000 1.077 11 L CA 1.766 56.719 54.840 0.189 0.000 0.747 11 L CB -0.504 41.584 42.059 0.050 0.000 0.896 11 L HN 0.127 nan 8.230 nan 0.000 0.432 12 K N 0.756 121.281 120.400 0.207 0.000 2.211 12 K HA -0.160 4.160 4.320 0.001 0.000 0.203 12 K C 1.678 178.337 176.600 0.098 0.000 1.050 12 K CA 1.039 57.404 56.287 0.130 0.000 0.945 12 K CB 0.080 32.480 32.500 -0.167 0.000 0.732 12 K HN 0.330 nan 8.250 nan 0.000 0.451 13 E N 0.472 120.740 120.200 0.113 0.000 2.463 13 E HA -0.148 4.202 4.350 0.001 0.000 0.201 13 E C 1.666 178.337 176.600 0.119 0.000 1.045 13 E CA 0.325 56.789 56.400 0.107 0.000 0.872 13 E CB 0.156 29.931 29.700 0.125 0.000 0.797 13 E HN 0.343 nan 8.360 nan 0.000 0.538 14 Q N 0.612 120.508 119.800 0.160 0.000 2.297 14 Q HA -0.156 4.185 4.340 0.001 0.000 0.208 14 Q C 0.464 176.542 176.000 0.131 0.000 0.981 14 Q CA 0.529 56.423 55.803 0.151 0.000 0.876 14 Q CB -0.400 28.461 28.738 0.204 0.000 0.921 14 Q HN 0.228 nan 8.270 nan 0.000 0.446 15 N N 0.531 119.314 118.700 0.139 0.000 2.667 15 N HA -0.173 4.568 4.740 0.001 0.000 0.263 15 N C -0.957 174.642 175.510 0.149 0.000 1.038 15 N CA 0.140 53.271 53.050 0.136 0.000 0.749 15 N CB -0.885 37.662 38.487 0.099 0.000 0.892 15 N HN 0.121 nan 8.380 nan 0.000 0.546 16 I N 0.738 121.420 120.570 0.186 0.000 2.683 16 I HA -0.011 4.160 4.170 0.001 0.000 0.286 16 I C 1.070 177.294 176.117 0.178 0.000 1.175 16 I CA 0.506 61.913 61.300 0.178 0.000 1.429 16 I CB 0.195 38.315 38.000 0.200 0.000 1.371 16 I HN 0.405 nan 8.210 nan 0.000 0.569 17 N N 6.967 125.760 118.700 0.155 0.000 2.479 17 N HA 0.232 4.972 4.740 0.001 0.000 0.261 17 N C 0.772 176.392 175.510 0.183 0.000 0.979 17 N CA -0.441 52.703 53.050 0.157 0.000 0.930 17 N CB 1.410 39.971 38.487 0.123 0.000 1.172 17 N HN 0.485 nan 8.380 nan 0.000 0.499 18 L N 3.439 124.796 121.223 0.224 0.000 2.012 18 L HA -0.184 4.157 4.340 0.001 0.000 0.210 18 L C 2.183 179.281 176.870 0.379 0.000 1.073 18 L CA 1.416 56.449 54.840 0.322 0.000 0.748 18 L CB -0.193 42.064 42.059 0.330 0.000 0.891 18 L HN 0.506 nan 8.230 nan 0.000 0.431 19 K N -0.113 120.435 120.400 0.247 0.000 2.063 19 K HA -0.174 4.146 4.320 0.001 0.000 0.208 19 K C 1.940 178.639 176.600 0.165 0.000 1.048 19 K CA 1.644 58.025 56.287 0.157 0.000 0.928 19 K CB -0.263 32.237 32.500 0.000 0.000 0.713 19 K HN 0.260 nan 8.250 nan 0.000 0.442 20 N N 0.782 119.564 118.700 0.137 0.000 2.188 20 N HA -0.128 4.612 4.740 0.001 0.000 0.184 20 N C 1.602 177.184 175.510 0.120 0.000 1.018 20 N CA 0.995 54.108 53.050 0.105 0.000 0.858 20 N CB -0.100 38.438 38.487 0.085 0.000 0.989 20 N HN 0.183 nan 8.380 nan 0.000 0.426 21 E N 0.230 120.517 120.200 0.145 0.000 2.051 21 E HA -0.084 4.267 4.350 0.001 0.000 0.192 21 E C 1.903 178.527 176.600 0.040 0.000 0.991 21 E CA 0.715 57.164 56.400 0.080 0.000 0.799 21 E CB -0.452 29.280 29.700 0.053 0.000 0.748 21 E HN 0.376 nan 8.360 nan 0.000 0.449 22 F N 1.319 121.324 119.950 0.092 0.000 2.234 22 F HA -0.157 4.371 4.527 0.001 0.000 0.299 22 F C 2.267 178.100 175.800 0.055 0.000 1.087 22 F CA 1.344 59.394 58.000 0.083 0.000 1.340 22 F CB -0.216 38.849 39.000 0.108 0.000 1.031 22 F HN 0.024 nan 8.300 nan 0.000 0.500 23 D N -0.019 120.507 120.400 0.209 0.000 2.117 23 D HA -0.143 4.497 4.640 0.001 0.000 0.197 23 D C 1.950 178.295 176.300 0.074 0.000 0.987 23 D CA 1.282 55.350 54.000 0.113 0.000 0.829 23 D CB 0.126 40.971 40.800 0.074 0.000 0.961 23 D HN -0.091 nan 8.370 nan 0.000 0.460 24 K N -0.326 120.111 120.400 0.062 0.000 2.352 24 K HA 0.082 4.402 4.320 0.001 0.000 0.194 24 K C -0.061 176.550 176.600 0.018 0.000 1.038 24 K CA 0.155 56.464 56.287 0.036 0.000 1.023 24 K CB 0.342 32.863 32.500 0.035 0.000 0.840 24 K HN 0.132 nan 8.250 nan 0.000 0.519 25 D N 1.469 121.872 120.400 0.005 0.000 2.472 25 D HA 0.106 4.746 4.640 0.001 0.000 0.234 25 D C -0.129 176.148 176.300 -0.039 0.000 1.088 25 D CA -0.231 53.751 54.000 -0.031 0.000 0.882 25 D CB 0.855 41.620 40.800 -0.058 0.000 1.037 25 D HN -0.208 nan 8.370 nan 0.000 0.520 26 D N 1.657 122.046 120.400 -0.019 0.000 2.351 26 D HA -0.066 4.574 4.640 0.001 0.000 0.216 26 D C 0.900 177.179 176.300 -0.034 0.000 0.968 26 D CA 0.785 54.781 54.000 -0.007 0.000 0.899 26 D CB 0.486 41.285 40.800 -0.002 0.000 0.907 26 D HN 0.264 nan 8.370 nan 0.000 0.514 27 K N -0.141 120.212 120.400 -0.077 0.000 2.455 27 K HA 0.160 4.481 4.320 0.001 0.000 0.206 27 K C 1.468 177.947 176.600 -0.201 0.000 1.027 27 K CA -0.188 56.030 56.287 -0.116 0.000 1.113 27 K CB 0.854 33.283 32.500 -0.119 0.000 0.850 27 K HN 0.051 nan 8.250 nan 0.000 0.503 28 R N 0.748 121.123 120.500 -0.207 0.000 2.083 28 R HA -0.106 4.234 4.340 0.001 0.000 0.237 28 R C 1.746 177.887 176.300 -0.265 0.000 1.137 28 R CA 1.504 57.420 56.100 -0.307 0.000 0.951 28 R CB -0.138 29.863 30.300 -0.497 0.000 0.851 28 R HN -0.093 nan 8.270 nan 0.000 0.434 29 V N 0.892 120.733 119.914 -0.121 0.000 2.307 29 V HA -0.213 3.908 4.120 0.001 0.000 0.245 29 V C 2.303 178.353 176.094 -0.073 0.000 1.045 29 V CA 2.179 64.467 62.300 -0.020 0.000 1.024 29 V CB -0.616 31.270 31.823 0.106 0.000 0.651 29 V HN 0.492 nan 8.190 nan 0.000 0.449 30 E N 0.385 120.531 120.200 -0.090 0.000 2.085 30 E HA -0.284 4.066 4.350 0.001 0.000 0.194 30 E C 2.237 178.728 176.600 -0.181 0.000 0.994 30 E CA 1.613 57.962 56.400 -0.086 0.000 0.801 30 E CB -0.043 29.610 29.700 -0.078 0.000 0.743 30 E HN 0.585 nan 8.360 nan 0.000 0.453 31 K N -0.716 119.449 120.400 -0.391 0.000 2.097 31 K HA -0.095 4.225 4.320 0.001 0.000 0.205 31 K C 0.483 176.692 176.600 -0.651 0.000 1.050 31 K CA 0.903 56.797 56.287 -0.655 0.000 0.938 31 K CB 0.067 31.823 32.500 -1.241 0.000 0.718 31 K HN 0.117 nan 8.250 nan 0.000 0.442 32 F N 0.746 120.500 119.950 -0.326 0.000 2.893 32 F HA 0.235 4.763 4.527 0.001 0.000 0.340 32 F C -0.133 175.112 175.800 -0.924 0.000 1.300 32 F CA -0.907 56.554 58.000 -0.898 0.000 1.227 32 F CB 0.252 38.736 39.000 -0.859 0.000 1.044 32 F HN -0.187 nan 8.300 nan 0.000 0.512 33 S N -0.173 115.403 115.700 -0.208 0.000 2.579 33 S HA 0.930 5.400 4.470 0.001 0.000 0.272 33 S C -1.254 173.493 174.600 0.245 0.000 1.141 33 S CA -0.735 57.459 58.200 -0.010 0.000 0.843 33 S CB 2.421 65.591 63.200 -0.050 0.000 1.122 33 S HN 0.124 nan 8.310 nan 0.000 0.468 34 L N 0.495 121.912 121.223 0.324 0.000 2.415 34 L HA 0.657 4.998 4.340 0.001 0.000 0.256 34 L C -0.945 176.126 176.870 0.334 0.000 1.010 34 L CA -0.837 54.215 54.840 0.352 0.000 0.826 34 L CB 2.579 44.886 42.059 0.413 0.000 1.405 34 L HN 0.706 nan 8.230 nan 0.000 0.410 35 K N 0.204 120.779 120.400 0.292 0.000 2.324 35 K HA 0.522 4.842 4.320 0.001 0.000 0.253 35 K C -1.516 175.210 176.600 0.210 0.000 0.932 35 K CA -0.900 55.548 56.287 0.268 0.000 0.799 35 K CB 2.303 34.940 32.500 0.228 0.000 1.154 35 K HN 0.481 nan 8.250 nan 0.000 0.425 36 H N 2.904 122.005 119.070 0.053 0.000 2.860 36 H HA 0.168 4.725 4.556 0.001 0.000 0.312 36 H C -0.205 175.149 175.328 0.044 0.000 0.995 36 H CA 0.128 56.156 56.048 -0.033 0.000 1.311 36 H CB 0.331 29.933 29.762 -0.267 0.000 1.478 36 H HN 0.767 nan 8.280 nan 0.000 0.508 37 Q N 2.389 121.992 119.800 -0.328 0.000 1.786 37 Q HA -0.390 3.950 4.340 0.001 0.000 0.369 37 Q C -0.035 175.926 176.000 -0.064 0.000 0.796 37 Q CA 2.113 57.773 55.803 -0.238 0.000 0.877 37 Q CB -0.961 27.562 28.738 -0.358 0.000 3.276 37 Q HN 0.846 nan 8.270 nan 0.000 0.718 38 N N 0.259 118.948 118.700 -0.019 0.000 2.295 38 N HA 0.345 5.086 4.740 0.001 0.000 0.221 38 N C -0.673 174.904 175.510 0.110 0.000 1.129 38 N CA -0.143 52.936 53.050 0.048 0.000 0.836 38 N CB 0.326 38.839 38.487 0.043 0.000 1.040 38 N HN 0.154 nan 8.380 nan 0.000 0.494 39 I N 1.029 121.679 120.570 0.133 0.000 2.336 39 I HA 0.167 4.337 4.170 0.001 0.000 0.292 39 I C -0.924 175.363 176.117 0.283 0.000 0.991 39 I CA -0.894 60.529 61.300 0.206 0.000 1.227 39 I CB 0.710 38.832 38.000 0.203 0.000 1.366 39 I HN 0.082 nan 8.210 nan 0.000 0.466 40 Y N 7.841 128.236 120.300 0.159 0.000 2.331 40 Y HA 0.406 4.957 4.550 0.001 0.000 0.338 40 Y C -1.341 174.710 175.900 0.252 0.000 0.976 40 Y CA -1.343 56.861 58.100 0.174 0.000 1.137 40 Y CB 1.158 39.684 38.460 0.109 0.000 1.172 40 Y HN 0.405 nan 8.280 nan 0.000 0.478 41 F N 7.291 127.119 119.950 -0.205 0.000 2.325 41 F HA 0.335 4.863 4.527 0.001 0.000 0.369 41 F C -0.905 174.717 175.800 -0.298 0.000 1.095 41 F CA -0.845 57.056 58.000 -0.165 0.000 1.082 41 F CB 0.392 39.400 39.000 0.012 0.000 1.289 41 F HN 0.516 nan 8.300 nan 0.000 0.462 42 D N 5.516 125.480 120.400 -0.726 0.000 2.454 42 D HA 0.103 4.744 4.640 0.001 0.000 0.225 42 D C -0.185 175.849 176.300 -0.442 0.000 1.081 42 D CA -0.333 53.308 54.000 -0.599 0.000 0.864 42 D CB 0.296 40.793 40.800 -0.505 0.000 1.040 42 D HN 0.577 nan 8.370 nan 0.000 0.517 43 Y N 1.611 121.619 120.300 -0.487 0.000 2.607 43 Y HA 0.227 4.777 4.550 0.001 0.000 0.266 43 Y C 1.490 177.353 175.900 -0.060 0.000 1.178 43 Y CA -0.161 57.750 58.100 -0.316 0.000 1.226 43 Y CB -0.207 38.037 38.460 -0.361 0.000 1.144 43 Y HN 0.210 nan 8.280 nan 0.000 0.528 44 S N 0.268 115.892 115.700 -0.127 0.000 2.481 44 S HA -0.070 4.401 4.470 0.001 0.000 0.231 44 S C 1.219 175.955 174.600 0.226 0.000 0.996 44 S CA 0.409 58.626 58.200 0.028 0.000 0.942 44 S CB -0.291 62.992 63.200 0.137 0.000 0.768 44 S HN 0.563 nan 8.310 nan 0.000 0.520 45 K N 1.458 121.993 120.400 0.225 0.000 2.476 45 K HA 0.226 4.547 4.320 0.001 0.000 0.196 45 K C -0.120 176.596 176.600 0.193 0.000 1.025 45 K CA -0.190 56.247 56.287 0.251 0.000 1.138 45 K CB -0.077 32.501 32.500 0.130 0.000 0.860 45 K HN 0.397 nan 8.250 nan 0.000 0.515 46 N N 1.152 119.952 118.700 0.166 0.000 2.493 46 N HA 0.129 4.870 4.740 0.001 0.000 0.275 46 N C 0.069 175.701 175.510 0.202 0.000 1.186 46 N CA -0.188 53.001 53.050 0.233 0.000 0.978 46 N CB 1.005 39.647 38.487 0.258 0.000 1.184 46 N HN 0.013 nan 8.380 nan 0.000 0.487 47 L N 2.853 124.281 121.223 0.342 0.000 2.511 47 L HA 0.249 4.589 4.340 0.001 0.000 0.239 47 L C 0.353 177.365 176.870 0.236 0.000 1.400 47 L CA 0.060 55.093 54.840 0.322 0.000 1.226 47 L CB -1.064 41.258 42.059 0.438 0.000 1.475 47 L HN 0.328 nan 8.230 nan 0.000 0.428 48 I N -1.963 118.624 120.570 0.029 0.000 3.042 48 I HA 0.700 4.870 4.170 0.001 0.000 0.310 48 I C -0.904 175.104 176.117 -0.182 0.000 1.117 48 I CA -0.903 60.318 61.300 -0.132 0.000 1.003 48 I CB 2.317 40.124 38.000 -0.321 0.000 1.228 48 I HN 0.143 nan 8.210 nan 0.000 0.443 49 N N 0.582 119.228 118.700 -0.089 0.000 3.102 49 N HA 0.333 5.074 4.740 0.001 0.000 0.299 49 N C -0.104 175.535 175.510 0.215 0.000 1.482 49 N CA -0.644 52.455 53.050 0.083 0.000 0.785 49 N CB 0.233 38.812 38.487 0.152 0.000 1.680 49 N HN 0.598 nan 8.380 nan 0.000 0.594 50 D N -0.733 119.892 120.400 0.374 0.000 2.133 50 D HA -0.187 4.453 4.640 0.001 0.000 0.195 50 D C 1.278 177.716 176.300 0.230 0.000 0.997 50 D CA 1.569 55.766 54.000 0.328 0.000 0.840 50 D CB -0.305 40.626 40.800 0.219 0.000 0.947 50 D HN 0.566 nan 8.370 nan 0.000 0.452 51 Y N 1.325 121.672 120.300 0.078 0.000 2.200 51 Y HA -0.115 4.436 4.550 0.001 0.000 0.290 51 Y C 2.215 178.116 175.900 0.002 0.000 1.137 51 Y CA 1.054 59.177 58.100 0.039 0.000 1.163 51 Y CB -0.441 38.040 38.460 0.035 0.000 0.988 51 Y HN -0.094 nan 8.280 nan 0.000 0.518 52 I N -0.634 119.851 120.570 -0.142 0.000 2.179 52 I HA -0.277 3.893 4.170 0.001 0.000 0.242 52 I C 2.294 178.227 176.117 -0.307 0.000 1.088 52 I CA 1.272 62.373 61.300 -0.332 0.000 1.357 52 I CB -0.496 37.357 38.000 -0.244 0.000 1.051 52 I HN 0.290 nan 8.210 nan 0.000 0.409 53 L N 0.867 122.003 121.223 -0.144 0.000 2.046 53 L HA -0.184 4.156 4.340 0.001 0.000 0.208 53 L C 2.319 179.161 176.870 -0.047 0.000 1.077 53 L CA 1.935 56.737 54.840 -0.063 0.000 0.747 53 L CB -0.607 41.533 42.059 0.136 0.000 0.896 53 L HN -0.020 nan 8.230 nan 0.000 0.432 54 K N -0.327 120.058 120.400 -0.026 0.000 2.097 54 K HA -0.026 4.294 4.320 0.001 0.000 0.206 54 K C 2.224 178.765 176.600 -0.097 0.000 1.049 54 K CA 1.498 57.772 56.287 -0.022 0.000 0.933 54 K CB -0.754 31.761 32.500 0.024 0.000 0.717 54 K HN 0.387 nan 8.250 nan 0.000 0.442 55 S N 1.073 116.635 115.700 -0.231 0.000 2.368 55 S HA -0.032 4.439 4.470 0.001 0.000 0.224 55 S C 1.987 176.476 174.600 -0.185 0.000 1.029 55 S CA 0.905 58.951 58.200 -0.258 0.000 0.988 55 S CB -0.237 62.689 63.200 -0.458 0.000 0.838 55 S HN 0.167 nan 8.310 nan 0.000 0.462 56 L N 1.030 122.134 121.223 -0.198 0.000 2.017 56 L HA -0.094 4.246 4.340 0.001 0.000 0.208 56 L C 2.286 179.134 176.870 -0.036 0.000 1.073 56 L CA 1.086 55.855 54.840 -0.118 0.000 0.745 56 L CB -0.667 41.300 42.059 -0.153 0.000 0.894 56 L HN 0.268 nan 8.230 nan 0.000 0.432 57 L N -0.448 120.758 121.223 -0.028 0.000 2.083 57 L HA -0.212 4.129 4.340 0.001 0.000 0.209 57 L C 2.540 179.441 176.870 0.051 0.000 1.083 57 L CA 1.248 56.105 54.840 0.030 0.000 0.752 57 L CB -0.472 41.623 42.059 0.059 0.000 0.899 57 L HN 0.285 nan 8.230 nan 0.000 0.433 58 E N -0.442 119.765 120.200 0.011 0.000 2.110 58 E HA -0.183 4.168 4.350 0.001 0.000 0.193 58 E C 2.312 178.926 176.600 0.022 0.000 0.988 58 E CA 1.438 57.847 56.400 0.015 0.000 0.804 58 E CB -0.028 29.665 29.700 -0.012 0.000 0.745 58 E HN 0.383 nan 8.360 nan 0.000 0.458 59 S N 0.800 116.504 115.700 0.006 0.000 2.368 59 S HA -0.201 4.270 4.470 0.001 0.000 0.225 59 S C 2.141 176.776 174.600 0.058 0.000 1.030 59 S CA 1.034 59.254 58.200 0.032 0.000 0.999 59 S CB -0.240 62.987 63.200 0.046 0.000 0.844 59 S HN 0.399 nan 8.310 nan 0.000 0.459 60 A N 1.913 124.754 122.820 0.035 0.000 1.877 60 A HA -0.141 4.179 4.320 0.001 0.000 0.216 60 A C 2.078 179.737 177.584 0.126 0.000 1.186 60 A CA 1.329 53.340 52.037 -0.043 0.000 0.620 60 A CB -0.484 18.386 19.000 -0.217 0.000 0.822 60 A HN 0.356 nan 8.150 nan 0.000 0.443 61 E N -0.024 120.306 120.200 0.218 0.000 2.153 61 E HA -0.154 4.196 4.350 0.001 0.000 0.194 61 E C 1.640 178.306 176.600 0.110 0.000 0.988 61 E CA 1.079 57.607 56.400 0.214 0.000 0.811 61 E CB -0.193 29.575 29.700 0.112 0.000 0.746 61 E HN 0.383 nan 8.360 nan 0.000 0.466 62 K N 0.861 121.304 120.400 0.070 0.000 2.365 62 K HA 0.029 4.350 4.320 0.001 0.000 0.197 62 K C 1.344 177.969 176.600 0.042 0.000 1.042 62 K CA 0.140 56.452 56.287 0.043 0.000 0.987 62 K CB -0.344 32.171 32.500 0.026 0.000 0.779 62 K HN 0.114 nan 8.250 nan 0.000 0.484 63 S N -0.640 115.087 115.700 0.045 0.000 2.640 63 S HA 0.156 4.626 4.470 0.001 0.000 0.262 63 S C 1.052 175.669 174.600 0.028 0.000 1.232 63 S CA -0.424 57.791 58.200 0.024 0.000 0.988 63 S CB 1.093 64.284 63.200 -0.016 0.000 1.034 63 S HN 0.042 nan 8.310 nan 0.000 0.569 64 S N 0.437 116.144 115.700 0.011 0.000 2.607 64 S HA 0.039 4.510 4.470 0.001 0.000 0.224 64 S C 1.365 175.972 174.600 0.012 0.000 0.969 64 S CA 0.019 58.230 58.200 0.019 0.000 0.927 64 S CB -0.730 62.484 63.200 0.024 0.000 0.772 64 S HN 0.587 nan 8.310 nan 0.000 0.533 65 L N 2.845 124.059 121.223 -0.015 0.000 2.012 65 L HA -0.097 4.243 4.340 0.001 0.000 0.210 65 L C 2.227 179.144 176.870 0.078 0.000 1.073 65 L CA 1.886 56.688 54.840 -0.064 0.000 0.748 65 L CB -0.534 41.383 42.059 -0.236 0.000 0.891 65 L HN 0.178 nan 8.230 nan 0.000 0.431 66 K N -0.837 119.688 120.400 0.208 0.000 2.032 66 K HA -0.278 4.042 4.320 0.001 0.000 0.209 66 K C 1.912 178.544 176.600 0.054 0.000 1.048 66 K CA 2.176 58.552 56.287 0.147 0.000 0.927 66 K CB -0.354 32.169 32.500 0.037 0.000 0.712 66 K HN 0.445 nan 8.250 nan 0.000 0.441 67 D N 0.179 120.608 120.400 0.049 0.000 2.149 67 D HA -0.087 4.554 4.640 0.001 0.000 0.201 67 D C 1.707 178.055 176.300 0.079 0.000 0.972 67 D CA 0.991 55.016 54.000 0.043 0.000 0.835 67 D CB 0.254 41.075 40.800 0.035 0.000 0.966 67 D HN 0.117 nan 8.370 nan 0.000 0.476 68 K N 0.132 120.594 120.400 0.103 0.000 2.097 68 K HA -0.071 4.250 4.320 0.001 0.000 0.205 68 K C 2.276 179.083 176.600 0.344 0.000 1.050 68 K CA 0.547 56.951 56.287 0.196 0.000 0.938 68 K CB -0.212 32.371 32.500 0.138 0.000 0.718 68 K HN 0.349 nan 8.250 nan 0.000 0.442 69 I N 1.214 121.954 120.570 0.282 0.000 2.163 69 I HA -0.309 3.862 4.170 0.001 0.000 0.243 69 I C 2.664 178.920 176.117 0.232 0.000 1.085 69 I CA 1.299 62.787 61.300 0.313 0.000 1.347 69 I CB -0.264 37.743 38.000 0.012 0.000 1.044 69 I HN 0.171 nan 8.210 nan 0.000 0.408 70 K N 0.851 121.313 120.400 0.103 0.000 2.032 70 K HA -0.176 4.144 4.320 0.001 0.000 0.209 70 K C 1.163 177.810 176.600 0.077 0.000 1.048 70 K CA 1.175 57.496 56.287 0.057 0.000 0.927 70 K CB -0.007 32.494 32.500 0.003 0.000 0.712 70 K HN 0.302 nan 8.250 nan 0.000 0.441 74 N N 0.710 119.413 118.700 0.005 0.000 2.398 74 N HA 0.210 4.951 4.740 0.001 0.000 0.188 74 N C 1.605 177.046 175.510 -0.115 0.000 1.122 74 N CA 1.326 54.346 53.050 -0.050 0.000 0.866 74 N CB 0.345 38.815 38.487 -0.029 0.000 0.970 74 N HN 0.468 nan 8.380 nan 0.000 0.462 75 G N -0.225 108.476 108.800 -0.166 0.000 2.132 75 G HA2 -0.241 3.720 3.960 0.001 0.000 0.234 75 G HA3 -0.241 3.720 3.960 0.001 0.000 0.234 75 G C 0.293 175.121 174.900 -0.120 0.000 0.989 75 G CA 0.184 45.162 45.100 -0.203 0.000 0.676 75 G HN 0.589 nan 8.290 nan 0.000 0.522 76 A N -0.169 122.606 122.820 -0.075 0.000 2.425 76 A HA 0.573 4.893 4.320 0.001 0.000 0.242 76 A C 0.888 178.466 177.584 -0.010 0.000 1.077 76 A CA 0.530 52.553 52.037 -0.025 0.000 0.781 76 A CB 0.273 19.274 19.000 0.002 0.000 1.020 76 A HN 0.417 nan 8.150 nan 0.000 0.494 77 K N 2.158 122.579 120.400 0.036 0.000 2.480 77 K HA 0.148 4.469 4.320 0.001 0.000 0.241 77 K C 0.848 177.502 176.600 0.091 0.000 1.261 77 K CA 0.110 56.440 56.287 0.072 0.000 1.193 77 K CB -0.439 32.131 32.500 0.118 0.000 1.598 77 K HN 0.710 nan 8.250 nan 0.000 0.278 78 I N -2.257 118.352 120.570 0.065 0.000 3.001 78 I HA -0.071 4.100 4.170 0.001 0.000 0.268 78 I C 0.697 176.919 176.117 0.174 0.000 1.267 78 I CA 0.386 61.756 61.300 0.116 0.000 1.472 78 I CB -0.077 37.993 38.000 0.118 0.000 1.089 78 I HN 0.111 nan 8.210 nan 0.000 0.468 79 N N 2.195 120.982 118.700 0.145 0.000 2.739 79 N HA 0.029 4.770 4.740 0.001 0.000 0.266 79 N C 1.033 176.612 175.510 0.116 0.000 1.168 79 N CA 0.508 53.668 53.050 0.184 0.000 1.055 79 N CB 0.320 38.912 38.487 0.175 0.000 1.393 79 N HN 0.442 nan 8.380 nan 0.000 0.514 80 S N 0.431 116.200 115.700 0.114 0.000 2.496 80 S HA -0.110 4.361 4.470 0.001 0.000 0.224 80 S C 1.703 176.235 174.600 -0.112 0.000 0.996 80 S CA 0.959 59.193 58.200 0.057 0.000 0.927 80 S CB -0.448 62.819 63.200 0.111 0.000 0.774 80 S HN 0.566 nan 8.310 nan 0.000 0.524 81 T N -0.062 114.481 114.554 -0.018 0.000 3.014 81 T HA 0.157 4.507 4.350 0.001 0.000 0.263 81 T C 1.383 176.033 174.700 -0.082 0.000 1.078 81 T CA 0.630 62.728 62.100 -0.003 0.000 1.135 81 T CB -0.326 68.742 68.868 0.333 0.000 0.895 81 T HN 0.510 nan 8.240 nan 0.000 0.480 82 E N 0.053 120.233 120.200 -0.034 0.000 2.476 82 E HA 0.130 4.480 4.350 0.001 0.000 0.199 82 E C -0.561 176.050 176.600 0.020 0.000 1.021 82 E CA -0.215 56.219 56.400 0.056 0.000 0.907 82 E CB -0.009 29.747 29.700 0.092 0.000 0.974 82 E HN 0.743 nan 8.360 nan 0.000 0.489 83 H N 0.353 119.523 119.070 0.167 0.000 2.748 83 H HA -0.161 4.396 4.556 0.001 0.000 0.322 83 H C -0.438 174.965 175.328 0.125 0.000 1.208 83 H CA 0.466 56.593 56.048 0.131 0.000 1.151 83 H CB -1.409 28.422 29.762 0.116 0.000 1.505 83 H HN 0.036 nan 8.280 nan 0.000 0.429 84 R N 0.178 120.782 120.500 0.173 0.000 2.750 84 R HA 0.780 5.121 4.340 0.001 0.000 0.281 84 R C -0.044 176.330 176.300 0.124 0.000 0.972 84 R CA -0.421 55.778 56.100 0.165 0.000 0.912 84 R CB 1.883 32.280 30.300 0.162 0.000 1.187 84 R HN 0.260 nan 8.270 nan 0.000 0.464 85 A N 1.339 124.232 122.820 0.122 0.000 2.327 85 A HA 0.426 4.746 4.320 0.001 0.000 0.255 85 A C -0.322 177.278 177.584 0.027 0.000 1.099 85 A CA -0.272 51.782 52.037 0.028 0.000 0.801 85 A CB 0.635 19.602 19.000 -0.056 0.000 1.062 85 A HN 0.388 nan 8.150 nan 0.000 0.496 86 V N 1.578 121.401 119.914 -0.151 0.000 2.380 86 V HA 0.281 4.402 4.120 0.001 0.000 0.272 86 V C -0.252 175.600 176.094 -0.405 0.000 1.011 86 V CA 0.160 62.286 62.300 -0.290 0.000 0.826 86 V CB 0.414 31.826 31.823 -0.686 0.000 1.040 86 V HN 0.717 nan 8.190 nan 0.000 0.441 87 L N 4.333 125.463 121.223 -0.154 0.000 3.288 87 L HA 0.278 4.619 4.340 0.001 0.000 0.293 87 L C 1.982 178.827 176.870 -0.041 0.000 1.294 87 L CA -0.232 54.432 54.840 -0.293 0.000 1.006 87 L CB 0.083 41.794 42.059 -0.580 0.000 1.407 87 L HN 0.796 nan 8.230 nan 0.000 0.592 88 H N -1.457 117.621 119.070 0.013 0.000 2.422 88 H HA -0.159 4.397 4.556 0.001 0.000 0.298 88 H C 1.824 177.098 175.328 -0.090 0.000 1.098 88 H CA 1.769 57.868 56.048 0.084 0.000 1.315 88 H CB -0.902 28.933 29.762 0.122 0.000 1.382 88 H HN 0.441 nan 8.280 nan 0.000 0.523 89 T N -0.459 113.766 114.554 -0.549 0.000 2.737 89 T HA -0.086 4.264 4.350 0.001 0.000 0.269 89 T C 2.368 176.973 174.700 -0.159 0.000 1.040 89 T CA 1.538 63.406 62.100 -0.387 0.000 1.142 89 T CB -0.757 67.716 68.868 -0.658 0.000 0.861 89 T HN 0.516 nan 8.240 nan 0.000 0.456 90 A N 1.489 124.203 122.820 -0.176 0.000 2.019 90 A HA 0.207 4.527 4.320 0.001 0.000 0.219 90 A C 2.403 180.004 177.584 0.028 0.000 1.164 90 A CA 1.033 53.001 52.037 -0.115 0.000 0.644 90 A CB -0.895 17.908 19.000 -0.328 0.000 0.805 90 A HN 0.578 nan 8.150 nan 0.000 0.449 91 L N -0.374 120.939 121.223 0.149 0.000 2.187 91 L HA -0.160 4.180 4.340 0.001 0.000 0.213 91 L C 2.413 179.397 176.870 0.190 0.000 1.100 91 L CA 1.543 56.548 54.840 0.276 0.000 0.765 91 L CB -0.322 41.992 42.059 0.425 0.000 0.904 91 L HN 0.560 nan 8.230 nan 0.000 0.437 92 R N -0.610 119.933 120.500 0.072 0.000 2.543 92 R HA 0.151 4.491 4.340 0.001 0.000 0.323 92 R C -0.267 176.062 176.300 0.048 0.000 1.002 92 R CA -0.306 55.816 56.100 0.037 0.000 1.106 92 R CB -0.581 29.668 30.300 -0.085 0.000 1.280 92 R HN 0.074 nan 8.270 nan 0.000 0.549 93 D N 1.276 121.699 120.400 0.039 0.000 2.455 93 D HA -0.002 4.639 4.640 0.001 0.000 0.241 93 D C 0.637 176.773 176.300 -0.273 0.000 1.138 93 D CA 0.181 54.167 54.000 -0.024 0.000 0.877 93 D CB 0.806 41.605 40.800 -0.001 0.000 1.187 93 D HN 0.219 nan 8.370 nan 0.000 0.451 94 L N 2.640 123.390 121.223 -0.788 0.000 2.858 94 L HA 0.078 4.418 4.340 0.001 0.000 0.251 94 L C 2.046 178.619 176.870 -0.496 0.000 1.149 94 L CA 0.065 54.478 54.840 -0.712 0.000 0.955 94 L CB 0.030 41.551 42.059 -0.897 0.000 1.289 94 L HN 0.497 nan 8.230 nan 0.000 0.542 95 S N -1.198 114.292 115.700 -0.351 0.000 2.406 95 S HA -0.151 4.320 4.470 0.001 0.000 0.228 95 S C 1.446 176.009 174.600 -0.060 0.000 1.020 95 S CA 0.818 58.973 58.200 -0.074 0.000 0.965 95 S CB 0.004 63.252 63.200 0.080 0.000 0.798 95 S HN 0.313 nan 8.310 nan 0.000 0.488 96 S N 1.138 116.795 115.700 -0.071 0.000 3.476 96 S HA -0.172 4.298 4.470 0.001 0.000 0.309 96 S C 0.393 174.971 174.600 -0.036 0.000 1.222 96 S CA 0.871 59.041 58.200 -0.050 0.000 0.922 96 S CB -2.533 60.641 63.200 -0.045 0.000 1.023 96 S HN 1.240 nan 8.310 nan 0.000 0.591 97 T N 0.343 114.879 114.554 -0.031 0.000 2.860 97 T HA 0.532 4.883 4.350 0.001 0.000 0.299 97 T C -2.455 172.220 174.700 -0.041 0.000 1.045 97 T CA -1.340 60.741 62.100 -0.032 0.000 1.071 97 T CB 0.444 69.295 68.868 -0.029 0.000 0.985 97 T HN 0.161 nan 8.240 nan 0.000 0.537 98 P HA 0.362 nan 4.420 nan 0.000 0.267 98 P C -1.021 176.240 177.300 -0.065 0.000 1.205 98 P CA -0.388 62.683 63.100 -0.048 0.000 0.765 98 P CB 0.234 31.910 31.700 -0.040 0.000 0.828 99 L N 5.236 126.409 121.223 -0.084 0.000 2.568 99 L HA 0.474 4.814 4.340 0.001 0.000 0.262 99 L C -1.472 175.318 176.870 -0.133 0.000 0.980 99 L CA -0.149 54.620 54.840 -0.119 0.000 0.882 99 L CB 0.787 42.753 42.059 -0.154 0.000 1.198 99 L HN 0.218 nan 8.230 nan 0.000 0.425 100 I N 5.355 125.858 120.570 -0.112 0.000 2.418 100 I HA 0.634 4.804 4.170 0.001 0.000 0.287 100 I C -0.894 175.159 176.117 -0.108 0.000 1.008 100 I CA -0.797 60.444 61.300 -0.099 0.000 1.104 100 I CB 2.010 39.974 38.000 -0.060 0.000 1.264 100 I HN 0.206 nan 8.210 nan 0.000 0.438 101 V N 4.508 124.345 119.914 -0.127 0.000 2.569 101 V HA 0.286 4.406 4.120 0.001 0.000 0.301 101 V C -0.095 175.970 176.094 -0.050 0.000 1.044 101 V CA -0.564 61.660 62.300 -0.126 0.000 0.874 101 V CB 1.598 33.267 31.823 -0.256 0.000 1.002 101 V HN 0.919 nan 8.190 nan 0.000 0.424 102 D N 4.099 124.494 120.400 -0.008 0.000 2.723 102 D HA -0.155 4.485 4.640 0.001 0.000 0.236 102 D C 1.271 177.597 176.300 0.043 0.000 1.138 102 D CA 2.052 56.075 54.000 0.038 0.000 0.676 102 D CB -1.070 39.784 40.800 0.089 0.000 1.069 102 D HN 1.727 nan 8.370 nan 0.000 0.430 103 G N -0.972 107.839 108.800 0.019 0.000 2.205 103 G HA2 -0.366 3.595 3.960 0.001 0.000 0.261 103 G HA3 -0.366 3.595 3.960 0.001 0.000 0.261 103 G C 0.189 175.103 174.900 0.024 0.000 0.980 103 G CA 0.563 45.677 45.100 0.023 0.000 0.632 103 G HN 0.631 nan 8.290 nan 0.000 0.533 104 Q N 0.694 120.506 119.800 0.020 0.000 2.257 104 Q HA 0.393 4.733 4.340 0.001 0.000 0.255 104 Q C -0.958 175.020 176.000 -0.037 0.000 0.920 104 Q CA -0.647 55.166 55.803 0.017 0.000 0.927 104 Q CB 1.514 30.277 28.738 0.043 0.000 1.229 104 Q HN 0.237 nan 8.270 nan 0.000 0.433 105 D N 3.727 124.110 120.400 -0.028 0.000 2.374 105 D HA 0.023 4.664 4.640 0.001 0.000 0.240 105 D C 0.841 177.088 176.300 -0.088 0.000 1.229 105 D CA -0.151 53.816 54.000 -0.054 0.000 0.895 105 D CB 0.595 41.380 40.800 -0.025 0.000 1.046 105 D HN 0.477 nan 8.370 nan 0.000 0.498 106 I N 3.929 124.399 120.570 -0.167 0.000 2.286 106 I HA -0.229 3.942 4.170 0.001 0.000 0.248 106 I C 2.201 178.210 176.117 -0.180 0.000 1.115 106 I CA 0.740 61.879 61.300 -0.268 0.000 1.392 106 I CB -0.596 37.126 38.000 -0.465 0.000 1.065 106 I HN 0.377 nan 8.210 nan 0.000 0.418 107 R N 0.896 121.323 120.500 -0.120 0.000 2.073 107 R HA -0.149 4.192 4.340 0.001 0.000 0.234 107 R C 2.099 178.387 176.300 -0.020 0.000 1.134 107 R CA 1.201 57.262 56.100 -0.064 0.000 0.952 107 R CB -0.879 29.390 30.300 -0.051 0.000 0.850 107 R HN 0.551 nan 8.270 nan 0.000 0.433 108 Q N 0.306 120.099 119.800 -0.012 0.000 2.079 108 Q HA -0.112 4.228 4.340 0.001 0.000 0.200 108 Q C 1.934 177.972 176.000 0.064 0.000 0.974 108 Q CA 0.889 56.709 55.803 0.028 0.000 0.840 108 Q CB 0.041 28.796 28.738 0.028 0.000 0.898 108 Q HN 0.297 nan 8.270 nan 0.000 0.430 109 E N 0.261 120.487 120.200 0.043 0.000 2.038 109 E HA -0.166 4.184 4.350 0.001 0.000 0.195 109 E C 2.217 178.930 176.600 0.188 0.000 1.000 109 E CA 1.065 57.531 56.400 0.111 0.000 0.803 109 E CB -0.368 29.293 29.700 -0.064 0.000 0.750 109 E HN 0.154 nan 8.360 nan 0.000 0.448 110 V N 1.303 121.248 119.914 0.050 0.000 2.295 110 V HA -0.249 3.871 4.120 0.001 0.000 0.246 110 V C 2.446 178.691 176.094 0.252 0.000 1.049 110 V CA 2.244 64.656 62.300 0.185 0.000 1.024 110 V CB -0.877 31.008 31.823 0.103 0.000 0.648 110 V HN 0.296 nan 8.190 nan 0.000 0.447 111 T N -0.567 114.083 114.554 0.160 0.000 2.746 111 T HA -0.240 4.110 4.350 0.001 0.000 0.267 111 T C 1.952 176.745 174.700 0.156 0.000 1.039 111 T CA 1.876 64.064 62.100 0.146 0.000 1.142 111 T CB -0.193 68.729 68.868 0.090 0.000 0.866 111 T HN 0.469 nan 8.240 nan 0.000 0.444 112 K N 0.779 121.276 120.400 0.162 0.000 2.057 112 K HA -0.150 4.170 4.320 0.001 0.000 0.206 112 K C 2.329 179.041 176.600 0.185 0.000 1.050 112 K CA 1.477 57.854 56.287 0.151 0.000 0.935 112 K CB -0.045 32.545 32.500 0.150 0.000 0.715 112 K HN 0.146 nan 8.250 nan 0.000 0.439 113 E N 1.139 121.506 120.200 0.278 0.000 2.072 113 E HA -0.152 4.199 4.350 0.001 0.000 0.191 113 E C 1.609 178.350 176.600 0.236 0.000 0.985 113 E CA 1.651 58.228 56.400 0.294 0.000 0.801 113 E CB 0.101 30.059 29.700 0.430 0.000 0.750 113 E HN 0.232 nan 8.360 nan 0.000 0.452 114 K N -0.191 120.364 120.400 0.257 0.000 2.074 114 K HA -0.249 4.072 4.320 0.001 0.000 0.209 114 K C 2.274 178.869 176.600 -0.008 0.000 1.048 114 K CA 1.610 58.030 56.287 0.221 0.000 0.926 114 K CB -0.169 32.524 32.500 0.321 0.000 0.713 114 K HN 0.084 nan 8.250 nan 0.000 0.444 115 Q N 1.252 121.066 119.800 0.025 0.000 2.124 115 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 115 Q C 1.785 177.760 176.000 -0.041 0.000 0.977 115 Q CA 1.551 57.327 55.803 -0.045 0.000 0.850 115 Q CB 0.038 28.786 28.738 0.017 0.000 0.901 115 Q HN 0.192 nan 8.270 nan 0.000 0.429 116 R N -1.018 119.516 120.500 0.058 0.000 2.081 116 R HA -0.082 4.258 4.340 0.001 0.000 0.235 116 R C 2.242 178.601 176.300 0.099 0.000 1.131 116 R CA 1.496 57.682 56.100 0.144 0.000 0.960 116 R CB -0.361 30.103 30.300 0.273 0.000 0.856 116 R HN 0.156 nan 8.270 nan 0.000 0.436 117 V N 1.411 121.306 119.914 -0.032 0.000 2.358 117 V HA -0.244 3.876 4.120 0.001 0.000 0.246 117 V C 2.386 178.259 176.094 -0.367 0.000 1.047 117 V CA 1.695 63.855 62.300 -0.233 0.000 1.035 117 V CB -0.496 31.214 31.823 -0.189 0.000 0.658 117 V HN 0.312 nan 8.190 nan 0.000 0.452 118 K N 0.316 120.337 120.400 -0.632 0.000 2.044 118 K HA -0.271 4.050 4.320 0.001 0.000 0.210 118 K C 2.117 178.533 176.600 -0.307 0.000 1.049 118 K CA 2.198 58.020 56.287 -0.775 0.000 0.927 118 K CB -0.165 31.740 32.500 -0.991 0.000 0.713 118 K HN 0.570 nan 8.250 nan 0.000 0.443 119 E N 0.390 120.487 120.200 -0.172 0.000 2.106 119 E HA -0.198 4.152 4.350 0.001 0.000 0.192 119 E C 2.007 178.618 176.600 0.019 0.000 0.984 119 E CA 1.021 57.398 56.400 -0.038 0.000 0.806 119 E CB -0.102 29.613 29.700 0.025 0.000 0.750 119 E HN 0.220 nan 8.360 nan 0.000 0.458 120 L N 0.697 121.928 121.223 0.013 0.000 1.989 120 L HA -0.185 4.156 4.340 0.001 0.000 0.211 120 L C 2.219 179.052 176.870 -0.061 0.000 1.071 120 L CA 1.531 56.402 54.840 0.051 0.000 0.749 120 L CB -0.467 41.579 42.059 -0.021 0.000 0.890 120 L HN -0.053 nan 8.230 nan 0.000 0.431 121 V N -0.029 119.714 119.914 -0.286 0.000 2.295 121 V HA -0.298 3.822 4.120 0.001 0.000 0.246 121 V C 2.532 178.575 176.094 -0.085 0.000 1.049 121 V CA 2.182 64.251 62.300 -0.386 0.000 1.024 121 V CB -0.764 30.735 31.823 -0.541 0.000 0.648 121 V HN 0.528 nan 8.190 nan 0.000 0.447 122 E N -0.057 120.114 120.200 -0.049 0.000 2.110 122 E HA -0.266 4.085 4.350 0.001 0.000 0.193 122 E C 2.265 178.909 176.600 0.073 0.000 0.988 122 E CA 1.298 57.709 56.400 0.019 0.000 0.804 122 E CB -0.165 29.543 29.700 0.013 0.000 0.745 122 E HN 0.548 nan 8.360 nan 0.000 0.458 123 K N 0.954 121.420 120.400 0.110 0.000 2.057 123 K HA -0.133 4.187 4.320 0.001 0.000 0.207 123 K C 2.038 178.776 176.600 0.230 0.000 1.049 123 K CA 1.018 57.418 56.287 0.188 0.000 0.931 123 K CB 0.124 32.792 32.500 0.281 0.000 0.714 123 K HN -0.049 nan 8.250 nan 0.000 0.440 124 V N 0.512 120.545 119.914 0.198 0.000 2.323 124 V HA -0.191 3.929 4.120 0.001 0.000 0.244 124 V C 2.267 178.435 176.094 0.123 0.000 1.041 124 V CA 1.397 63.785 62.300 0.147 0.000 1.025 124 V CB -0.045 31.811 31.823 0.055 0.000 0.656 124 V HN 0.149 nan 8.190 nan 0.000 0.451 125 V N 1.124 121.108 119.914 0.117 0.000 2.427 125 V HA -0.189 3.931 4.120 0.001 0.000 0.248 125 V C 2.600 178.743 176.094 0.082 0.000 1.051 125 V CA 2.124 64.479 62.300 0.092 0.000 1.048 125 V CB -0.727 31.144 31.823 0.081 0.000 0.666 125 V HN 0.755 nan 8.190 nan 0.000 0.456 126 S N 0.037 115.789 115.700 0.087 0.000 2.515 126 S HA 0.132 4.603 4.470 0.001 0.000 0.231 126 S C 1.744 176.394 174.600 0.083 0.000 0.987 126 S CA 0.900 59.146 58.200 0.078 0.000 0.936 126 S CB 0.158 63.403 63.200 0.074 0.000 0.766 126 S HN 1.183 nan 8.310 nan 0.000 0.528 127 G N 1.557 110.419 108.800 0.103 0.000 2.176 127 G HA2 -0.299 3.661 3.960 0.001 0.000 0.253 127 G HA3 -0.299 3.661 3.960 0.001 0.000 0.253 127 G C 0.939 175.911 174.900 0.119 0.000 0.979 127 G CA 0.333 45.497 45.100 0.107 0.000 0.641 127 G HN 0.528 nan 8.290 nan 0.000 0.530 128 R N -1.360 119.218 120.500 0.130 0.000 2.092 128 R HA -0.001 4.339 4.340 0.001 0.000 0.231 128 R C 1.410 177.794 176.300 0.141 0.000 1.119 128 R CA 0.857 57.025 56.100 0.113 0.000 0.970 128 R CB 0.004 30.365 30.300 0.101 0.000 0.864 128 R HN 0.449 nan 8.270 nan 0.000 0.440 129 W N 3.030 124.341 121.300 0.020 0.000 2.308 129 W HA 0.043 4.703 4.660 0.000 0.000 0.324 129 W C -0.524 175.988 176.519 -0.011 0.000 1.387 129 W CA 0.252 57.598 57.345 0.001 0.000 1.250 129 W CB 0.429 29.885 29.460 -0.006 0.000 1.257 129 W HN -0.011 nan 8.180 nan 0.000 0.554 130 R N 3.838 124.346 120.500 0.013 0.000 2.740 130 R HA 0.469 4.809 4.340 0.001 0.000 0.282 130 R C 0.491 176.822 176.300 0.051 0.000 0.969 130 R CA -0.699 55.454 56.100 0.089 0.000 0.918 130 R CB 1.032 31.332 30.300 -0.000 0.000 1.175 130 R HN 0.640 nan 8.270 nan 0.000 0.464 131 G N 0.448 109.333 108.800 0.142 0.000 2.683 131 G HA2 0.011 3.971 3.960 0.001 0.000 0.260 131 G HA3 0.011 3.971 3.960 0.001 0.000 0.260 131 G C 0.414 175.404 174.900 0.151 0.000 1.238 131 G CA -0.332 44.794 45.100 0.045 0.000 0.934 131 G HN 0.546 nan 8.290 nan 0.000 0.534 132 F N 0.533 120.563 119.950 0.134 0.000 2.293 132 F HA -0.082 4.446 4.527 0.001 0.000 0.300 132 F C 2.742 178.584 175.800 0.071 0.000 1.086 132 F CA 1.814 59.784 58.000 -0.050 0.000 1.375 132 F CB 0.096 38.839 39.000 -0.429 0.000 1.045 132 F HN 0.344 nan 8.300 nan 0.000 0.516 133 S N -0.876 115.007 115.700 0.306 0.000 2.593 133 S HA 0.323 4.793 4.470 0.001 0.000 0.217 133 S C 1.601 176.245 174.600 0.075 0.000 0.966 133 S CA 0.342 58.649 58.200 0.179 0.000 0.914 133 S CB -0.281 63.115 63.200 0.327 0.000 0.776 133 S HN 0.784 nan 8.310 nan 0.000 0.523 134 G N 0.741 109.577 108.800 0.061 0.000 2.159 134 G HA2 -0.202 3.758 3.960 0.001 0.000 0.227 134 G HA3 -0.202 3.758 3.960 0.001 0.000 0.227 134 G C -0.149 174.790 174.900 0.065 0.000 0.986 134 G CA -0.156 44.959 45.100 0.025 0.000 0.651 134 G HN 0.567 nan 8.290 nan 0.000 0.523 135 K N 0.646 121.117 120.400 0.118 0.000 2.098 135 K HA 0.489 4.809 4.320 0.001 0.000 0.261 135 K C 0.450 177.129 176.600 0.132 0.000 0.987 135 K CA -0.679 55.677 56.287 0.115 0.000 0.916 135 K CB 1.305 33.880 32.500 0.124 0.000 1.039 135 K HN 0.137 nan 8.250 nan 0.000 0.455 136 K N 1.616 122.080 120.400 0.108 0.000 2.355 136 K HA 0.129 4.449 4.320 0.001 0.000 0.270 136 K C 0.192 176.857 176.600 0.108 0.000 1.003 136 K CA -0.417 55.938 56.287 0.114 0.000 0.957 136 K CB 0.362 32.913 32.500 0.085 0.000 0.939 136 K HN 0.296 nan 8.250 nan 0.000 0.482 137 I N 2.765 123.394 120.570 0.098 0.000 2.529 137 I HA -0.039 4.131 4.170 0.001 0.000 0.284 137 I C 1.605 177.728 176.117 0.010 0.000 1.082 137 I CA 0.504 61.825 61.300 0.035 0.000 1.406 137 I CB 0.778 38.734 38.000 -0.073 0.000 1.405 137 I HN 0.834 nan 8.210 nan 0.000 0.548 138 T N 0.227 114.784 114.554 0.004 0.000 2.959 138 T HA 0.285 4.635 4.350 0.001 0.000 0.254 138 T C 0.155 174.847 174.700 -0.014 0.000 1.003 138 T CA -0.189 61.914 62.100 0.004 0.000 0.950 138 T CB 0.240 69.124 68.868 0.027 0.000 1.090 138 T HN 0.488 nan 8.240 nan 0.000 0.503 139 D N 0.527 120.904 120.400 -0.039 0.000 2.819 139 D HA 0.576 5.217 4.640 0.001 0.000 0.232 139 D C -1.291 174.921 176.300 -0.147 0.000 1.160 139 D CA -0.622 53.364 54.000 -0.023 0.000 0.858 139 D CB 1.919 42.750 40.800 0.051 0.000 1.610 139 D HN 0.053 nan 8.370 nan 0.000 0.481 140 I N 1.941 122.397 120.570 -0.190 0.000 2.433 140 I HA 0.403 4.573 4.170 0.001 0.000 0.292 140 I C -0.650 175.305 176.117 -0.269 0.000 1.001 140 I CA -0.842 60.229 61.300 -0.382 0.000 1.119 140 I CB 1.574 39.205 38.000 -0.614 0.000 1.289 140 I HN 0.187 nan 8.210 nan 0.000 0.438 141 V N 5.812 125.542 119.914 -0.308 0.000 2.376 141 V HA 0.311 4.432 4.120 0.001 0.000 0.287 141 V C 0.048 175.964 176.094 -0.297 0.000 1.015 141 V CA -0.796 61.333 62.300 -0.285 0.000 0.834 141 V CB 1.710 33.363 31.823 -0.283 0.000 1.001 141 V HN 0.716 nan 8.190 nan 0.000 0.428 142 N N 4.486 122.972 118.700 -0.357 0.000 2.444 142 N HA 0.493 5.233 4.740 0.001 0.000 0.271 142 N C -0.817 174.623 175.510 -0.117 0.000 1.069 142 N CA -0.186 52.728 53.050 -0.228 0.000 0.965 142 N CB 0.728 39.067 38.487 -0.245 0.000 1.092 142 N HN 0.635 nan 8.380 nan 0.000 0.476 143 I N 2.690 123.219 120.570 -0.068 0.000 2.382 143 I HA 0.606 4.776 4.170 0.001 0.000 0.285 143 I C 0.556 176.649 176.117 -0.039 0.000 1.007 143 I CA -0.590 60.680 61.300 -0.050 0.000 1.142 143 I CB 1.376 39.348 38.000 -0.046 0.000 1.289 143 I HN 0.584 nan 8.210 nan 0.000 0.453 144 G N 5.982 114.767 108.800 -0.024 0.000 2.466 144 G HA2 0.631 4.591 3.960 0.001 0.000 0.291 144 G HA3 0.631 4.591 3.960 0.001 0.000 0.291 144 G C -2.102 172.781 174.900 -0.027 0.000 1.460 144 G CA -0.466 44.617 45.100 -0.028 0.000 0.791 144 G HN 0.476 nan 8.290 nan 0.000 0.505 145 I N 0.023 120.569 120.570 -0.041 0.000 2.769 145 I HA 0.641 4.812 4.170 0.001 0.000 0.298 145 I C 0.918 177.001 176.117 -0.057 0.000 1.128 145 I CA 0.818 62.089 61.300 -0.049 0.000 1.031 145 I CB 2.005 39.974 38.000 -0.051 0.000 1.235 145 I HN 1.916 nan 8.210 nan 0.000 0.423 146 G N 4.128 112.886 108.800 -0.069 0.000 2.543 146 G HA2 -0.316 3.644 3.960 0.001 0.000 0.286 146 G HA3 -0.316 3.644 3.960 0.001 0.000 0.286 146 G C 0.888 175.738 174.900 -0.082 0.000 1.153 146 G CA 0.396 45.447 45.100 -0.081 0.000 0.968 146 G HN 1.302 nan 8.290 nan 0.000 0.544 147 G N 0.099 108.852 108.800 -0.078 0.000 2.469 147 G HA2 0.029 3.989 3.960 0.001 0.000 0.220 147 G HA3 0.029 3.989 3.960 0.001 0.000 0.220 147 G C 2.141 177.009 174.900 -0.053 0.000 1.136 147 G CA 2.872 47.930 45.100 -0.070 0.000 0.759 147 G HN 2.019 nan 8.290 nan 0.000 0.562 148 S N -0.733 114.943 115.700 -0.040 0.000 2.548 148 S HA 0.107 4.577 4.470 0.001 0.000 0.215 148 S C 1.462 176.055 174.600 -0.012 0.000 0.976 148 S CA 1.080 59.268 58.200 -0.021 0.000 0.908 148 S CB 0.370 63.565 63.200 -0.008 0.000 0.781 148 S HN 0.406 nan 8.310 nan 0.000 0.519 149 D N 1.030 121.404 120.400 -0.044 0.000 2.468 149 D HA 0.105 4.745 4.640 0.001 0.000 0.243 149 D C 1.784 177.961 176.300 -0.204 0.000 0.994 149 D CA 0.273 54.230 54.000 -0.071 0.000 0.932 149 D CB -0.351 40.409 40.800 -0.068 0.000 1.078 149 D HN 0.194 nan 8.370 nan 0.000 0.473 150 L N 0.501 121.623 121.223 -0.168 0.000 2.046 150 L HA 0.178 4.519 4.340 0.001 0.000 0.208 150 L C 2.241 179.006 176.870 -0.175 0.000 1.077 150 L CA 2.117 56.846 54.840 -0.186 0.000 0.747 150 L CB -1.052 40.949 42.059 -0.096 0.000 0.896 150 L HN 0.271 nan 8.230 nan 0.000 0.432 151 G N -0.738 107.990 108.800 -0.120 0.000 2.414 151 G HA2 -0.164 3.796 3.960 0.001 0.000 0.215 151 G HA3 -0.164 3.796 3.960 0.001 0.000 0.215 151 G C -0.623 174.113 174.900 -0.273 0.000 1.188 151 G CA 0.715 45.687 45.100 -0.212 0.000 0.783 151 G HN 0.327 nan 8.290 nan 0.000 0.537 152 P HA -0.038 nan 4.420 nan 0.000 0.215 152 P C 1.217 178.277 177.300 -0.400 0.000 1.157 152 P CA 0.944 63.944 63.100 -0.166 0.000 0.868 152 P CB 0.060 31.783 31.700 0.038 0.000 0.788 156 V N 1.315 121.268 119.914 0.065 0.000 2.287 156 V HA -0.264 3.857 4.120 0.001 0.000 0.248 156 V C 2.547 178.817 176.094 0.293 0.000 1.053 156 V CA 2.948 65.378 62.300 0.216 0.000 1.027 156 V CB -0.667 31.312 31.823 0.259 0.000 0.646 156 V HN 0.572 nan 8.190 nan 0.000 0.447 157 R N 1.017 121.628 120.500 0.185 0.000 2.075 157 R HA -0.043 4.297 4.340 0.001 0.000 0.232 157 R C 2.131 178.483 176.300 0.087 0.000 1.126 157 R CA 1.898 58.096 56.100 0.163 0.000 0.963 157 R CB -0.988 29.471 30.300 0.265 0.000 0.858 157 R HN 0.426 nan 8.270 nan 0.000 0.435 158 A N 0.076 122.948 122.820 0.087 0.000 2.019 158 A HA 0.003 4.324 4.320 0.001 0.000 0.219 158 A C 1.631 179.251 177.584 0.059 0.000 1.164 158 A CA 1.205 53.271 52.037 0.048 0.000 0.644 158 A CB -0.266 18.752 19.000 0.029 0.000 0.805 158 A HN 0.344 nan 8.150 nan 0.000 0.449 159 L N -0.692 120.595 121.223 0.106 0.000 2.928 159 L HA 0.145 4.486 4.340 0.001 0.000 0.246 159 L C 1.840 178.828 176.870 0.196 0.000 1.239 159 L CA -0.032 54.924 54.840 0.194 0.000 1.035 159 L CB -0.058 42.088 42.059 0.146 0.000 1.360 159 L HN 0.519 nan 8.230 nan 0.000 0.529 160 Q N 1.549 121.302 119.800 -0.078 0.000 2.152 160 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 160 Q C -0.643 175.112 176.000 -0.407 0.000 0.985 160 Q CA 1.938 57.417 55.803 -0.539 0.000 0.863 160 Q CB -0.377 28.101 28.738 -0.433 0.000 0.904 160 Q HN 0.341 nan 8.270 nan 0.000 0.422 161 P HA -0.141 nan 4.420 nan 0.000 0.225 161 P C -0.165 176.926 177.300 -0.349 0.000 1.148 161 P CA 1.178 64.040 63.100 -0.396 0.000 0.779 161 P CB -0.066 31.277 31.700 -0.595 0.000 0.780 162 Y N -2.812 117.482 120.300 -0.010 0.000 2.457 162 Y HA 0.093 4.644 4.550 0.001 0.000 0.263 162 Y C 1.104 177.109 175.900 0.174 0.000 1.164 162 Y CA -0.290 57.859 58.100 0.081 0.000 1.274 162 Y CB -0.924 37.587 38.460 0.085 0.000 1.097 162 Y HN 0.075 nan 8.280 nan 0.000 0.523 163 H N 0.021 119.152 119.070 0.101 0.000 2.964 163 H HA 0.070 4.626 4.556 0.001 0.000 0.328 163 H C 0.476 175.838 175.328 0.058 0.000 1.030 163 H CA 0.646 56.739 56.048 0.075 0.000 1.445 163 H CB 0.836 30.624 29.762 0.043 0.000 1.449 163 H HN 0.496 nan 8.280 nan 0.000 0.581 164 C N -0.120 119.273 119.300 0.156 0.000 3.897 164 C HA 0.108 4.569 4.460 0.001 0.000 0.304 164 C C 1.682 176.718 174.990 0.076 0.000 2.314 164 C CA 0.054 59.136 59.018 0.106 0.000 1.559 164 C CB -1.109 26.697 27.740 0.110 0.000 3.163 164 C HN 0.880 nan 8.230 nan 0.000 0.476 165 T N -4.040 110.550 114.554 0.060 0.000 3.069 165 T HA 0.217 4.568 4.350 0.001 0.000 0.252 165 T C 0.386 175.114 174.700 0.047 0.000 1.053 165 T CA 0.978 63.110 62.100 0.053 0.000 0.964 165 T CB -0.398 68.501 68.868 0.052 0.000 1.005 165 T HN 0.309 nan 8.240 nan 0.000 0.532 166 D N 0.442 120.870 120.400 0.045 0.000 3.039 166 D HA -0.116 4.524 4.640 0.001 0.000 0.222 166 D C -0.580 175.732 176.300 0.021 0.000 1.179 166 D CA 0.647 54.670 54.000 0.038 0.000 0.880 166 D CB -1.614 39.209 40.800 0.039 0.000 1.115 166 D HN 0.526 nan 8.370 nan 0.000 0.416 167 L N -0.203 121.023 121.223 0.004 0.000 2.322 167 L HA 0.415 4.755 4.340 0.001 0.000 0.279 167 L C 0.787 177.620 176.870 -0.062 0.000 1.036 167 L CA -0.683 54.138 54.840 -0.032 0.000 0.807 167 L CB 1.449 43.477 42.059 -0.051 0.000 1.226 167 L HN -0.222 nan 8.230 nan 0.000 0.433 168 K N 2.039 122.393 120.400 -0.076 0.000 2.183 168 K HA 0.540 4.860 4.320 0.001 0.000 0.274 168 K C -1.115 175.295 176.600 -0.316 0.000 1.009 168 K CA -0.594 55.591 56.287 -0.170 0.000 0.888 168 K CB 2.098 34.525 32.500 -0.121 0.000 1.078 168 K HN 0.241 nan 8.250 nan 0.000 0.459 169 V N 4.372 124.034 119.914 -0.419 0.000 2.417 169 V HA 0.272 4.392 4.120 0.001 0.000 0.291 169 V C -0.300 175.403 176.094 -0.651 0.000 1.024 169 V CA -0.811 61.211 62.300 -0.463 0.000 0.861 169 V CB 1.115 32.730 31.823 -0.348 0.000 0.985 169 V HN 0.750 nan 8.190 nan 0.000 0.436 170 H N 4.026 122.798 119.070 -0.495 0.000 2.622 170 H HA 0.552 5.108 4.556 0.001 0.000 0.363 170 H C -1.568 173.344 175.328 -0.693 0.000 1.151 170 H CA -0.558 55.248 56.048 -0.403 0.000 1.184 170 H CB 2.298 31.908 29.762 -0.253 0.000 1.643 170 H HN 0.476 nan 8.280 nan 0.000 0.531 171 F N 1.197 121.145 119.950 -0.004 0.000 2.460 171 F HA 0.291 4.818 4.527 0.001 0.000 0.341 171 F C -0.054 175.701 175.800 -0.076 0.000 1.130 171 F CA -0.748 57.212 58.000 -0.066 0.000 0.962 171 F CB 1.689 40.626 39.000 -0.106 0.000 1.171 171 F HN 0.124 nan 8.300 nan 0.000 0.436 172 V N 3.080 123.009 119.914 0.024 0.000 2.459 172 V HA 0.547 4.667 4.120 0.001 0.000 0.295 172 V C 0.022 176.109 176.094 -0.012 0.000 1.029 172 V CA 0.007 62.290 62.300 -0.029 0.000 0.874 172 V CB 1.493 33.259 31.823 -0.095 0.000 0.985 172 V HN 0.951 nan 8.190 nan 0.000 0.438 173 S N 2.984 118.669 115.700 -0.025 0.000 4.471 173 S HA 0.151 4.622 4.470 0.001 0.000 0.191 173 S C 0.593 175.167 174.600 -0.043 0.000 1.128 173 S CA -0.199 57.983 58.200 -0.030 0.000 1.153 173 S CB -0.237 62.946 63.200 -0.029 0.000 1.583 173 S HN 0.533 nan 8.310 nan 0.000 0.590 174 N N 1.884 120.559 118.700 -0.042 0.000 2.345 174 N HA 0.049 4.790 4.740 0.001 0.000 0.243 174 N C 1.030 176.514 175.510 -0.044 0.000 1.246 174 N CA 0.646 53.671 53.050 -0.041 0.000 0.863 174 N CB 1.298 39.763 38.487 -0.037 0.000 1.096 174 N HN 0.264 nan 8.380 nan 0.000 0.446 175 V N 1.969 121.859 119.914 -0.039 0.000 2.626 175 V HA -0.155 3.965 4.120 0.001 0.000 0.252 175 V C 0.461 176.534 176.094 -0.036 0.000 1.067 175 V CA 1.125 63.402 62.300 -0.038 0.000 1.081 175 V CB -0.679 31.125 31.823 -0.031 0.000 0.686 175 V HN 0.758 nan 8.190 nan 0.000 0.468 176 D N 0.349 120.728 120.400 -0.034 0.000 2.570 176 D HA 0.023 4.664 4.640 0.001 0.000 0.243 176 D C 1.164 177.437 176.300 -0.045 0.000 1.171 176 D CA 0.822 54.802 54.000 -0.033 0.000 0.879 176 D CB 1.316 42.099 40.800 -0.028 0.000 1.143 176 D HN 0.353 nan 8.370 nan 0.000 0.511 177 A N 3.927 126.719 122.820 -0.046 0.000 2.125 177 A HA -0.185 4.135 4.320 0.001 0.000 0.219 177 A C 1.832 179.362 177.584 -0.090 0.000 1.156 177 A CA 1.503 53.501 52.037 -0.066 0.000 0.671 177 A CB -0.385 18.581 19.000 -0.056 0.000 0.794 177 A HN 0.742 nan 8.150 nan 0.000 0.459 178 D N -0.643 119.717 120.400 -0.068 0.000 2.158 178 D HA -0.176 4.464 4.640 0.001 0.000 0.197 178 D C 2.100 178.341 176.300 -0.100 0.000 0.995 178 D CA 1.669 55.624 54.000 -0.075 0.000 0.846 178 D CB -0.010 40.767 40.800 -0.038 0.000 0.941 178 D HN 0.362 nan 8.370 nan 0.000 0.456 179 S N -1.129 114.521 115.700 -0.083 0.000 2.348 179 S HA -0.163 4.308 4.470 0.001 0.000 0.221 179 S C 1.859 176.380 174.600 -0.132 0.000 1.033 179 S CA 1.127 59.277 58.200 -0.083 0.000 1.010 179 S CB -0.551 62.612 63.200 -0.061 0.000 0.891 179 S HN 0.352 nan 8.310 nan 0.000 0.442 180 L N 1.676 122.807 121.223 -0.153 0.000 2.042 180 L HA 0.017 4.357 4.340 0.001 0.000 0.210 180 L C 2.138 178.815 176.870 -0.322 0.000 1.076 180 L CA 1.742 56.451 54.840 -0.219 0.000 0.749 180 L CB -0.697 41.247 42.059 -0.191 0.000 0.893 180 L HN 0.408 nan 8.230 nan 0.000 0.432 181 L N -0.964 120.056 121.223 -0.337 0.000 2.131 181 L HA -0.187 4.153 4.340 0.001 0.000 0.210 181 L C 2.631 179.109 176.870 -0.653 0.000 1.092 181 L CA 0.664 55.162 54.840 -0.569 0.000 0.759 181 L CB -0.640 41.094 42.059 -0.543 0.000 0.903 181 L HN 0.346 nan 8.230 nan 0.000 0.435 182 Q N -0.229 119.366 119.800 -0.342 0.000 2.170 182 Q HA -0.139 4.202 4.340 0.001 0.000 0.203 182 Q C 2.360 178.251 176.000 -0.182 0.000 0.976 182 Q CA 1.679 57.371 55.803 -0.185 0.000 0.858 182 Q CB -0.380 28.319 28.738 -0.065 0.000 0.907 182 Q HN 0.550 nan 8.270 nan 0.000 0.433 183 A N 0.649 123.310 122.820 -0.266 0.000 1.855 183 A HA -0.046 4.275 4.320 0.001 0.000 0.213 183 A C 2.221 179.530 177.584 -0.458 0.000 1.195 183 A CA 0.736 52.545 52.037 -0.380 0.000 0.610 183 A CB -0.676 18.091 19.000 -0.388 0.000 0.837 183 A HN 0.302 nan 8.150 nan 0.000 0.444 184 L N -0.963 119.940 121.223 -0.533 0.000 2.127 184 L HA -0.228 4.113 4.340 0.001 0.000 0.211 184 L C 2.381 179.126 176.870 -0.208 0.000 1.089 184 L CA 1.494 55.970 54.840 -0.606 0.000 0.757 184 L CB -0.917 40.635 42.059 -0.844 0.000 0.899 184 L HN 0.553 nan 8.230 nan 0.000 0.434 185 H N -0.824 118.138 119.070 -0.181 0.000 2.489 185 H HA -0.089 4.467 4.556 0.001 0.000 0.293 185 H C 1.729 177.020 175.328 -0.062 0.000 1.066 185 H CA 1.183 57.181 56.048 -0.083 0.000 1.305 185 H CB 0.324 30.049 29.762 -0.062 0.000 1.386 185 H HN 0.350 nan 8.280 nan 0.000 0.551 186 V N -1.558 118.363 119.914 0.012 0.000 3.346 186 V HA 0.234 4.354 4.120 0.001 0.000 0.309 186 V C 0.349 176.410 176.094 -0.055 0.000 1.457 186 V CA -0.200 62.097 62.300 -0.006 0.000 1.069 186 V CB 0.070 31.908 31.823 0.026 0.000 0.944 186 V HN 0.113 nan 8.190 nan 0.000 0.449 187 V N -2.395 117.468 119.914 -0.085 0.000 2.960 187 V HA 0.780 4.900 4.120 0.001 0.000 0.315 187 V C -1.248 174.924 176.094 0.130 0.000 1.087 187 V CA -0.481 61.794 62.300 -0.041 0.000 0.982 187 V CB 2.167 33.880 31.823 -0.183 0.000 1.039 187 V HN 0.235 nan 8.190 nan 0.000 0.437 188 D N 3.265 123.720 120.400 0.091 0.000 2.256 188 D HA 0.518 5.158 4.640 0.001 0.000 0.240 188 D C -1.781 174.467 176.300 -0.087 0.000 1.062 188 D CA -2.220 51.774 54.000 -0.010 0.000 0.832 188 D CB 2.600 43.366 40.800 -0.057 0.000 1.135 188 D HN 0.381 nan 8.370 nan 0.000 0.484 189 P HA -0.135 nan 4.420 nan 0.000 0.218 189 P C 0.661 177.663 177.300 -0.498 0.000 1.148 189 P CA 1.078 63.709 63.100 -0.782 0.000 0.822 189 P CB 0.442 31.297 31.700 -1.407 0.000 0.784 190 E N -0.709 119.267 120.200 -0.375 0.000 2.347 190 E HA -0.051 4.299 4.350 0.001 0.000 0.196 190 E C 1.003 177.749 176.600 0.243 0.000 1.008 190 E CA 1.404 57.809 56.400 0.009 0.000 0.852 190 E CB -0.278 29.413 29.700 -0.016 0.000 0.783 190 E HN 0.393 nan 8.360 nan 0.000 0.505 191 T N -2.411 112.219 114.554 0.126 0.000 3.231 191 T HA 0.162 4.512 4.350 0.001 0.000 0.292 191 T C 0.169 174.936 174.700 0.111 0.000 1.001 191 T CA -0.508 61.677 62.100 0.141 0.000 0.920 191 T CB 0.656 69.567 68.868 0.072 0.000 1.140 191 T HN -0.232 nan 8.240 nan 0.000 0.525 192 T N 2.699 117.345 114.554 0.154 0.000 2.829 192 T HA 0.683 5.034 4.350 0.001 0.000 0.280 192 T C -1.274 173.475 174.700 0.082 0.000 0.999 192 T CA -0.646 61.497 62.100 0.071 0.000 0.983 192 T CB 1.944 70.866 68.868 0.089 0.000 0.968 192 T HN 0.230 nan 8.240 nan 0.000 0.446 193 L N 4.225 125.357 121.223 -0.153 0.000 2.313 193 L HA 0.674 5.014 4.340 0.001 0.000 0.283 193 L C -1.564 175.085 176.870 -0.369 0.000 1.013 193 L CA -0.639 54.024 54.840 -0.296 0.000 0.816 193 L CB 0.758 42.471 42.059 -0.577 0.000 1.236 193 L HN 0.512 nan 8.230 nan 0.000 0.419 194 L N 5.964 126.946 121.223 -0.401 0.000 2.325 194 L HA 0.572 4.912 4.340 0.001 0.000 0.278 194 L C -0.514 176.238 176.870 -0.198 0.000 1.023 194 L CA -0.150 54.462 54.840 -0.382 0.000 0.811 194 L CB 1.696 43.385 42.059 -0.617 0.000 1.249 194 L HN 0.457 nan 8.230 nan 0.000 0.431 195 I N 3.651 124.144 120.570 -0.128 0.000 2.362 195 I HA 0.381 4.551 4.170 0.001 0.000 0.289 195 I C -0.574 175.557 176.117 0.024 0.000 0.994 195 I CA -0.299 60.982 61.300 -0.031 0.000 1.158 195 I CB 1.430 39.383 38.000 -0.078 0.000 1.315 195 I HN 0.415 nan 8.210 nan 0.000 0.451 196 I N 6.252 126.872 120.570 0.084 0.000 2.291 196 I HA 0.380 4.551 4.170 0.001 0.000 0.290 196 I C 0.418 176.562 176.117 0.045 0.000 1.050 196 I CA -0.272 61.034 61.300 0.009 0.000 1.245 196 I CB 1.165 39.103 38.000 -0.103 0.000 1.405 196 I HN 0.606 nan 8.210 nan 0.000 0.478 197 A N 4.888 127.709 122.820 0.002 0.000 2.444 197 A HA 0.603 4.924 4.320 0.001 0.000 0.332 197 A C 0.026 177.610 177.584 0.001 0.000 1.430 197 A CA -0.214 51.836 52.037 0.020 0.000 0.975 197 A CB 0.463 19.469 19.000 0.009 0.000 1.147 197 A HN 0.565 nan 8.150 nan 0.000 0.524 198 S N 2.012 117.744 115.700 0.052 0.000 2.614 198 S HA 0.302 4.772 4.470 0.001 0.000 0.259 198 S C 0.659 175.338 174.600 0.132 0.000 1.118 198 S CA -0.521 57.707 58.200 0.046 0.000 1.065 198 S CB 0.847 64.001 63.200 -0.076 0.000 1.121 198 S HN 0.698 nan 8.310 nan 0.000 0.458 199 K N 2.909 123.342 120.400 0.056 0.000 2.034 199 K HA 0.012 4.332 4.320 0.001 0.000 0.214 199 K C 1.307 177.943 176.600 0.060 0.000 1.051 199 K CA 2.565 58.871 56.287 0.032 0.000 0.931 199 K CB -0.412 32.090 32.500 0.003 0.000 0.715 199 K HN 0.438 nan 8.250 nan 0.000 0.446 200 S N -1.101 114.651 115.700 0.087 0.000 2.539 200 S HA 0.243 4.714 4.470 0.001 0.000 0.221 200 S C -0.556 174.169 174.600 0.209 0.000 0.987 200 S CA -0.110 58.150 58.200 0.100 0.000 0.929 200 S CB -0.075 63.163 63.200 0.063 0.000 0.832 200 S HN 0.365 nan 8.310 nan 0.000 0.492 201 F N 1.944 121.868 119.950 -0.043 0.000 3.084 201 F HA -0.276 4.251 4.527 0.001 0.000 0.286 201 F C 1.472 177.256 175.800 -0.027 0.000 0.855 201 F CA 0.739 58.710 58.000 -0.049 0.000 1.091 201 F CB -1.898 37.070 39.000 -0.053 0.000 1.177 201 F HN 0.359 nan 8.300 nan 0.000 0.542 202 S N -3.790 111.947 115.700 0.061 0.000 2.604 202 S HA 0.200 4.670 4.470 0.001 0.000 0.235 202 S C 0.626 175.219 174.600 -0.011 0.000 1.043 202 S CA 0.363 58.579 58.200 0.028 0.000 0.997 202 S CB 0.229 63.458 63.200 0.048 0.000 0.956 202 S HN 0.186 nan 8.310 nan 0.000 0.535 203 T N 3.392 117.926 114.554 -0.033 0.000 2.867 203 T HA 0.092 4.442 4.350 0.001 0.000 0.297 203 T C 1.036 175.703 174.700 -0.055 0.000 0.989 203 T CA 0.259 62.334 62.100 -0.042 0.000 1.159 203 T CB 1.006 69.843 68.868 -0.052 0.000 0.928 203 T HN 0.475 nan 8.240 nan 0.000 0.538 204 E N 2.738 122.917 120.200 -0.037 0.000 2.038 204 E HA -0.233 4.118 4.350 0.001 0.000 0.195 204 E C 1.515 178.088 176.600 -0.046 0.000 1.000 204 E CA 1.683 58.063 56.400 -0.034 0.000 0.803 204 E CB 0.115 29.803 29.700 -0.020 0.000 0.750 204 E HN 0.715 nan 8.360 nan 0.000 0.448 205 E N -0.227 119.945 120.200 -0.047 0.000 2.077 205 E HA -0.141 4.210 4.350 0.001 0.000 0.193 205 E C 2.104 178.663 176.600 -0.068 0.000 0.989 205 E CA 1.911 58.281 56.400 -0.050 0.000 0.800 205 E CB -0.277 29.395 29.700 -0.047 0.000 0.746 205 E HN 0.228 nan 8.360 nan 0.000 0.452 206 T N 1.075 115.575 114.554 -0.089 0.000 2.821 206 T HA -0.100 4.251 4.350 0.001 0.000 0.267 206 T C 1.730 176.328 174.700 -0.170 0.000 1.046 206 T CA 0.783 62.806 62.100 -0.128 0.000 1.139 206 T CB -0.210 68.571 68.868 -0.145 0.000 0.871 206 T HN 0.024 nan 8.240 nan 0.000 0.454 207 L N 0.803 121.932 121.223 -0.158 0.000 2.017 207 L HA 0.046 4.386 4.340 0.001 0.000 0.208 207 L C 2.032 178.860 176.870 -0.070 0.000 1.073 207 L CA 1.587 56.336 54.840 -0.151 0.000 0.745 207 L CB -0.808 41.192 42.059 -0.098 0.000 0.894 207 L HN 0.102 nan 8.230 nan 0.000 0.432 208 L N 0.100 121.295 121.223 -0.047 0.000 2.046 208 L HA -0.188 4.152 4.340 0.001 0.000 0.208 208 L C 2.377 179.238 176.870 -0.014 0.000 1.077 208 L CA 1.459 56.287 54.840 -0.021 0.000 0.747 208 L CB -1.204 40.843 42.059 -0.021 0.000 0.896 208 L HN 0.361 nan 8.230 nan 0.000 0.432 209 N N -0.847 117.833 118.700 -0.034 0.000 2.120 209 N HA -0.151 4.589 4.740 0.001 0.000 0.188 209 N C 2.073 177.595 175.510 0.020 0.000 1.024 209 N CA 1.608 54.642 53.050 -0.027 0.000 0.852 209 N CB -0.318 38.137 38.487 -0.052 0.000 1.003 209 N HN 0.477 nan 8.380 nan 0.000 0.424 210 S N 0.580 116.284 115.700 0.007 0.000 2.387 210 S HA 0.025 4.495 4.470 0.001 0.000 0.226 210 S C 2.154 176.906 174.600 0.252 0.000 1.026 210 S CA 0.462 58.719 58.200 0.096 0.000 0.972 210 S CB -0.568 62.533 63.200 -0.166 0.000 0.814 210 S HN 0.222 nan 8.310 nan 0.000 0.477 211 I N 1.921 122.591 120.570 0.167 0.000 2.226 211 I HA -0.143 4.028 4.170 0.001 0.000 0.245 211 I C 2.681 178.851 176.117 0.090 0.000 1.100 211 I CA 1.295 62.667 61.300 0.120 0.000 1.374 211 I CB -0.487 37.553 38.000 0.066 0.000 1.057 211 I HN 0.308 nan 8.210 nan 0.000 0.413 212 S N 0.596 116.345 115.700 0.081 0.000 2.383 212 S HA -0.099 4.371 4.470 0.001 0.000 0.227 212 S C 2.234 176.922 174.600 0.146 0.000 1.026 212 S CA 1.172 59.419 58.200 0.079 0.000 0.981 212 S CB -0.264 62.952 63.200 0.027 0.000 0.818 212 S HN 0.531 nan 8.310 nan 0.000 0.472 213 A N 1.848 124.780 122.820 0.187 0.000 1.902 213 A HA -0.099 4.221 4.320 0.001 0.000 0.217 213 A C 2.076 179.996 177.584 0.560 0.000 1.181 213 A CA 1.439 53.675 52.037 0.332 0.000 0.623 213 A CB -0.515 18.700 19.000 0.358 0.000 0.818 213 A HN 0.420 nan 8.150 nan 0.000 0.443 214 R N -0.315 120.415 120.500 0.383 0.000 2.081 214 R HA -0.176 4.165 4.340 0.001 0.000 0.235 214 R C 2.198 178.584 176.300 0.143 0.000 1.131 214 R CA 1.769 57.962 56.100 0.154 0.000 0.960 214 R CB -0.274 29.798 30.300 -0.380 0.000 0.856 214 R HN 0.730 nan 8.270 nan 0.000 0.436 215 E N -0.566 119.711 120.200 0.128 0.000 2.077 215 E HA -0.242 4.108 4.350 0.001 0.000 0.193 215 E C 1.673 178.385 176.600 0.186 0.000 0.989 215 E CA 1.481 57.945 56.400 0.107 0.000 0.800 215 E CB -0.316 29.434 29.700 0.083 0.000 0.746 215 E HN 0.507 nan 8.360 nan 0.000 0.452 216 W N 0.980 122.308 121.300 0.047 0.000 2.335 216 W HA -0.224 4.437 4.660 0.001 0.000 0.311 216 W C 1.951 178.505 176.519 0.059 0.000 1.213 216 W CA 1.511 58.880 57.345 0.040 0.000 1.274 216 W CB -0.499 28.976 29.460 0.024 0.000 1.148 216 W HN 0.191 nan 8.180 nan 0.000 0.498 217 L N 0.630 121.940 121.223 0.146 0.000 2.017 217 L HA -0.160 4.180 4.340 0.001 0.000 0.208 217 L C 2.428 179.294 176.870 -0.008 0.000 1.073 217 L CA 1.945 56.724 54.840 -0.103 0.000 0.745 217 L CB -0.755 41.456 42.059 0.255 0.000 0.894 217 L HN 0.102 nan 8.230 nan 0.000 0.432 218 L N -1.167 120.086 121.223 0.050 0.000 2.240 218 L HA -0.126 4.214 4.340 0.001 0.000 0.211 218 L C 2.035 178.901 176.870 -0.007 0.000 1.106 218 L CA 0.552 55.408 54.840 0.026 0.000 0.793 218 L CB -0.763 41.289 42.059 -0.013 0.000 0.927 218 L HN 0.248 nan 8.230 nan 0.000 0.446 219 D N -0.593 119.795 120.400 -0.020 0.000 2.149 219 D HA -0.235 4.405 4.640 0.001 0.000 0.198 219 D C 1.955 178.206 176.300 -0.081 0.000 0.990 219 D CA 1.413 55.391 54.000 -0.037 0.000 0.839 219 D CB -0.008 40.785 40.800 -0.012 0.000 0.948 219 D HN 0.392 nan 8.370 nan 0.000 0.460 220 H N -1.157 117.759 119.070 -0.256 0.000 2.307 220 H HA -0.075 4.482 4.556 0.000 0.000 0.303 220 H C 1.581 176.768 175.328 -0.235 0.000 1.073 220 H CA 1.582 57.424 56.048 -0.342 0.000 1.338 220 H CB -0.226 29.160 29.762 -0.627 0.000 1.389 220 H HN 0.102 nan 8.280 nan 0.000 0.503 221 Y N 0.554 120.748 120.300 -0.177 0.000 2.365 221 Y HA 0.070 4.620 4.550 0.001 0.000 0.293 221 Y C 0.721 176.548 175.900 -0.121 0.000 1.119 221 Y CA 1.025 59.035 58.100 -0.149 0.000 1.203 221 Y CB 0.219 38.644 38.460 -0.058 0.000 1.026 221 Y HN 0.313 nan 8.280 nan 0.000 0.549 222 E N 0.414 120.635 120.200 0.035 0.000 2.586 222 E HA -0.255 4.095 4.350 0.001 0.000 0.259 222 E C -0.835 175.762 176.600 -0.005 0.000 1.107 222 E CA 0.788 57.185 56.400 -0.004 0.000 0.754 222 E CB -1.248 28.439 29.700 -0.022 0.000 1.335 222 E HN 0.267 nan 8.360 nan 0.000 0.411 223 D N -0.393 119.982 120.400 -0.041 0.000 2.613 223 D HA 0.123 4.764 4.640 0.001 0.000 0.230 223 D C 0.365 176.520 176.300 -0.242 0.000 1.365 223 D CA -0.357 53.573 54.000 -0.117 0.000 0.976 223 D CB 0.999 41.747 40.800 -0.086 0.000 1.415 223 D HN 0.053 nan 8.370 nan 0.000 0.589 224 E N 1.600 121.696 120.200 -0.172 0.000 2.338 224 E HA -0.099 4.251 4.350 0.001 0.000 0.197 224 E C 1.142 177.601 176.600 -0.235 0.000 1.007 224 E CA 0.638 56.930 56.400 -0.180 0.000 0.849 224 E CB 0.438 30.062 29.700 -0.127 0.000 0.774 224 E HN 0.371 nan 8.360 nan 0.000 0.506 225 K N 0.527 120.748 120.400 -0.297 0.000 2.362 225 K HA -0.040 4.280 4.320 0.001 0.000 0.200 225 K C 1.981 178.228 176.600 -0.588 0.000 1.046 225 K CA 0.683 56.790 56.287 -0.300 0.000 0.952 225 K CB 0.032 32.468 32.500 -0.108 0.000 0.753 225 K HN 0.063 nan 8.250 nan 0.000 0.466 226 A N 0.893 123.090 122.820 -1.038 0.000 2.067 226 A HA -0.076 4.244 4.320 0.001 0.000 0.219 226 A C 2.194 179.675 177.584 -0.171 0.000 1.158 226 A CA 0.882 52.288 52.037 -1.050 0.000 0.661 226 A CB -0.356 17.859 19.000 -1.309 0.000 0.801 226 A HN 0.051 nan 8.150 nan 0.000 0.452 227 V N -0.048 119.834 119.914 -0.052 0.000 2.332 227 V HA -0.311 3.809 4.120 0.001 0.000 0.248 227 V C 3.028 179.327 176.094 0.343 0.000 1.055 227 V CA 1.978 64.422 62.300 0.240 0.000 1.038 227 V CB -1.195 30.668 31.823 0.066 0.000 0.651 227 V HN 0.610 nan 8.190 nan 0.000 0.450 228 A N 0.291 123.225 122.820 0.190 0.000 2.024 228 A HA -0.231 4.089 4.320 0.001 0.000 0.220 228 A C 1.874 179.606 177.584 0.246 0.000 1.164 228 A CA 2.207 54.382 52.037 0.231 0.000 0.643 228 A CB -0.706 18.376 19.000 0.137 0.000 0.806 228 A HN 0.666 nan 8.150 nan 0.000 0.451 229 N N -1.212 117.588 118.700 0.168 0.000 2.398 229 N HA 0.039 4.779 4.740 0.001 0.000 0.188 229 N C 0.895 176.435 175.510 0.049 0.000 1.122 229 N CA 0.586 53.663 53.050 0.045 0.000 0.866 229 N CB 0.124 38.549 38.487 -0.103 0.000 0.970 229 N HN 0.589 nan 8.380 nan 0.000 0.462 230 H N -1.979 117.321 119.070 0.384 0.000 3.535 230 H HA 0.267 4.823 4.556 0.001 0.000 0.260 230 H C -0.719 174.584 175.328 -0.042 0.000 1.173 230 H CA 0.028 56.189 56.048 0.188 0.000 1.168 230 H CB 0.777 30.626 29.762 0.144 0.000 1.568 230 H HN 0.034 nan 8.280 nan 0.000 0.602 231 F N 1.374 121.512 119.950 0.314 0.000 2.556 231 F HA 0.392 4.919 4.527 0.001 0.000 0.314 231 F C 0.146 176.084 175.800 0.230 0.000 1.106 231 F CA -1.206 56.945 58.000 0.251 0.000 0.911 231 F CB 2.207 41.418 39.000 0.352 0.000 1.190 231 F HN -0.237 nan 8.300 nan 0.000 0.448 232 V N 0.124 120.230 119.914 0.320 0.000 3.046 232 V HA 1.033 5.153 4.120 0.001 0.000 0.316 232 V C -0.964 175.305 176.094 0.292 0.000 1.104 232 V CA -0.987 61.512 62.300 0.330 0.000 1.006 232 V CB 1.533 33.530 31.823 0.290 0.000 1.058 232 V HN 0.999 nan 8.190 nan 0.000 0.440 233 A N 2.357 125.357 122.820 0.300 0.000 2.454 233 A HA 0.926 5.247 4.320 0.001 0.000 0.302 233 A C -0.893 176.836 177.584 0.243 0.000 1.079 233 A CA -0.792 51.387 52.037 0.237 0.000 0.731 233 A CB 1.554 20.651 19.000 0.162 0.000 1.299 233 A HN 1.021 nan 8.150 nan 0.000 0.413 234 I N 1.592 122.268 120.570 0.177 0.000 2.437 234 I HA 0.572 4.742 4.170 0.001 0.000 0.279 234 I C -0.008 176.150 176.117 0.069 0.000 1.028 234 I CA -0.133 61.235 61.300 0.114 0.000 1.142 234 I CB 1.290 39.331 38.000 0.069 0.000 1.266 234 I HN 0.494 nan 8.210 nan 0.000 0.461 235 S N 2.638 118.336 115.700 -0.003 0.000 2.578 235 S HA 0.366 4.836 4.470 0.001 0.000 0.272 235 S C 0.171 174.702 174.600 -0.115 0.000 1.145 235 S CA -0.435 57.747 58.200 -0.030 0.000 0.835 235 S CB 1.913 65.085 63.200 -0.047 0.000 1.104 235 S HN 0.463 nan 8.310 nan 0.000 0.458 236 S N 1.233 116.871 115.700 -0.103 0.000 2.535 236 S HA 0.194 4.664 4.470 0.001 0.000 0.214 236 S C 0.451 174.985 174.600 -0.109 0.000 0.980 236 S CA -0.010 58.123 58.200 -0.112 0.000 0.907 236 S CB -0.016 63.133 63.200 -0.086 0.000 0.790 236 S HN 0.497 nan 8.310 nan 0.000 0.510 237 K N 2.677 122.995 120.400 -0.136 0.000 2.222 237 K HA 0.348 4.668 4.320 0.001 0.000 0.243 237 K C 0.732 177.191 176.600 -0.234 0.000 1.160 237 K CA -0.177 56.023 56.287 -0.144 0.000 1.090 237 K CB -0.769 31.676 32.500 -0.091 0.000 1.694 237 K HN 0.188 nan 8.250 nan 0.000 0.361 238 L N 0.812 121.933 121.223 -0.170 0.000 2.083 238 L HA -0.234 4.106 4.340 0.001 0.000 0.209 238 L C 1.681 178.456 176.870 -0.158 0.000 1.083 238 L CA 1.308 56.043 54.840 -0.175 0.000 0.752 238 L CB -0.547 41.442 42.059 -0.118 0.000 0.899 238 L HN 0.607 nan 8.230 nan 0.000 0.433 239 D N 0.038 120.371 120.400 -0.112 0.000 2.117 239 D HA -0.209 4.432 4.640 0.001 0.000 0.197 239 D C 1.847 178.100 176.300 -0.078 0.000 0.987 239 D CA 1.220 55.176 54.000 -0.074 0.000 0.829 239 D CB -0.322 40.455 40.800 -0.038 0.000 0.961 239 D HN 0.151 nan 8.370 nan 0.000 0.460 240 K N 0.466 120.797 120.400 -0.115 0.000 2.097 240 K HA 0.018 4.339 4.320 0.001 0.000 0.205 240 K C 2.427 178.915 176.600 -0.187 0.000 1.050 240 K CA 0.362 56.607 56.287 -0.069 0.000 0.938 240 K CB -0.470 32.039 32.500 0.016 0.000 0.718 240 K HN 0.182 nan 8.250 nan 0.000 0.442 241 V N 1.889 121.495 119.914 -0.513 0.000 2.295 241 V HA -0.234 3.887 4.120 0.001 0.000 0.246 241 V C 2.581 178.618 176.094 -0.096 0.000 1.049 241 V CA 1.762 63.764 62.300 -0.498 0.000 1.024 241 V CB -0.409 31.080 31.823 -0.557 0.000 0.648 241 V HN 0.357 nan 8.190 nan 0.000 0.447 242 K N 0.133 120.483 120.400 -0.083 0.000 2.057 242 K HA -0.227 4.093 4.320 0.001 0.000 0.207 242 K C 2.107 178.727 176.600 0.034 0.000 1.049 242 K CA 1.882 58.160 56.287 -0.014 0.000 0.931 242 K CB -0.148 32.331 32.500 -0.036 0.000 0.714 242 K HN 0.556 nan 8.250 nan 0.000 0.440 243 E N -0.418 119.805 120.200 0.038 0.000 2.153 243 E HA -0.199 4.152 4.350 0.001 0.000 0.194 243 E C 1.702 178.361 176.600 0.099 0.000 0.988 243 E CA 1.102 57.536 56.400 0.057 0.000 0.811 243 E CB -0.148 29.588 29.700 0.060 0.000 0.746 243 E HN 0.327 nan 8.360 nan 0.000 0.466 244 F N -0.070 119.882 119.950 0.003 0.000 2.293 244 F HA -0.012 4.515 4.527 0.001 0.000 0.300 244 F C 1.461 177.235 175.800 -0.043 0.000 1.086 244 F CA 1.466 59.467 58.000 0.001 0.000 1.375 244 F CB 0.458 39.514 39.000 0.093 0.000 1.045 244 F HN 0.088 nan 8.300 nan 0.000 0.516 245 G N 0.669 109.563 108.800 0.157 0.000 2.159 245 G HA2 -0.196 3.764 3.960 0.001 0.000 0.170 245 G HA3 -0.196 3.764 3.960 0.001 0.000 0.170 245 G C 0.104 175.107 174.900 0.171 0.000 1.007 245 G CA -0.074 45.078 45.100 0.087 0.000 0.672 245 G HN 0.272 nan 8.290 nan 0.000 0.507 246 I N 1.555 122.265 120.570 0.233 0.000 2.428 246 I HA 0.255 4.425 4.170 0.001 0.000 0.289 246 I C 0.323 176.528 176.117 0.145 0.000 1.019 246 I CA -0.701 60.745 61.300 0.243 0.000 1.351 246 I CB 1.032 39.179 38.000 0.246 0.000 1.412 246 I HN 0.040 nan 8.210 nan 0.000 0.513 247 D N 4.825 125.331 120.400 0.177 0.000 2.425 247 D HA -0.035 4.605 4.640 0.001 0.000 0.247 247 D C 0.873 177.157 176.300 -0.027 0.000 1.147 247 D CA -0.145 53.889 54.000 0.057 0.000 0.879 247 D CB 1.227 42.056 40.800 0.048 0.000 1.179 247 D HN 0.401 nan 8.370 nan 0.000 0.456 248 L N 4.934 126.106 121.223 -0.085 0.000 2.089 248 L HA -0.234 4.106 4.340 0.001 0.000 0.213 248 L C 2.176 178.919 176.870 -0.212 0.000 1.079 248 L CA 2.173 56.934 54.840 -0.131 0.000 0.758 248 L CB -0.641 41.350 42.059 -0.113 0.000 0.891 248 L HN 0.681 nan 8.230 nan 0.000 0.433 249 E N -1.876 118.155 120.200 -0.282 0.000 2.265 249 E HA -0.249 4.101 4.350 0.001 0.000 0.196 249 E C 0.683 176.993 176.600 -0.483 0.000 0.996 249 E CA 1.754 57.920 56.400 -0.391 0.000 0.832 249 E CB -0.580 28.857 29.700 -0.439 0.000 0.756 249 E HN 0.747 nan 8.360 nan 0.000 0.491 250 H N -0.471 118.532 119.070 -0.112 0.000 2.472 250 H HA 0.308 4.864 4.556 0.001 0.000 0.287 250 H C -0.828 174.406 175.328 -0.156 0.000 1.112 250 H CA -0.864 55.149 56.048 -0.058 0.000 1.021 250 H CB 0.490 30.435 29.762 0.305 0.000 1.635 250 H HN 0.084 nan 8.280 nan 0.000 0.559 251 C N 1.974 121.087 119.300 -0.312 0.000 2.281 251 C HA 0.400 4.860 4.460 0.001 0.000 0.323 251 C C -0.499 174.215 174.990 -0.461 0.000 1.270 251 C CA -0.544 58.332 59.018 -0.236 0.000 1.559 251 C CB -1.415 26.218 27.740 -0.178 0.000 2.239 251 C HN 0.451 nan 8.230 nan 0.000 0.488 252 Y N 3.672 123.953 120.300 -0.033 0.000 2.403 252 Y HA 0.476 5.026 4.550 0.001 0.000 0.323 252 Y C 0.898 176.686 175.900 -0.188 0.000 1.226 252 Y CA -0.358 57.692 58.100 -0.082 0.000 1.235 252 Y CB 0.947 39.381 38.460 -0.043 0.000 1.248 252 Y HN 0.534 nan 8.280 nan 0.000 0.489 256 D N -0.278 120.026 120.400 -0.160 0.000 2.350 256 D HA -0.146 4.495 4.640 0.001 0.000 0.216 256 D C 1.449 177.796 176.300 0.078 0.000 0.968 256 D CA 1.026 55.017 54.000 -0.015 0.000 0.894 256 D CB -0.304 40.536 40.800 0.067 0.000 0.909 256 D HN 0.499 nan 8.370 nan 0.000 0.520 257 W N 0.460 121.864 121.300 0.173 0.000 3.345 257 W HA 0.374 5.034 4.660 0.001 0.000 0.282 257 W C -0.677 175.923 176.519 0.134 0.000 1.302 257 W CA -0.623 56.781 57.345 0.099 0.000 1.724 257 W CB -0.284 29.191 29.460 0.026 0.000 1.104 257 W HN -0.254 nan 8.180 nan 0.000 0.694 258 V N 2.470 122.506 119.914 0.204 0.000 2.313 258 V HA 0.474 4.595 4.120 0.001 0.000 0.278 258 V C 0.910 177.134 176.094 0.217 0.000 1.017 258 V CA -0.683 61.779 62.300 0.270 0.000 0.823 258 V CB 0.491 32.429 31.823 0.191 0.000 1.010 258 V HN 0.130 nan 8.190 nan 0.000 0.443 259 G N 3.098 112.079 108.800 0.303 0.000 2.491 259 G HA2 0.388 4.348 3.960 0.001 0.000 0.242 259 G HA3 0.388 4.348 3.960 0.001 0.000 0.242 259 G C 1.134 176.151 174.900 0.194 0.000 1.266 259 G CA 0.217 45.482 45.100 0.275 0.000 0.844 259 G HN 0.889 nan 8.290 nan 0.000 0.571 260 G N 1.329 110.179 108.800 0.083 0.000 2.440 260 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 260 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 260 G C 1.647 176.529 174.900 -0.030 0.000 1.154 260 G CA 0.894 46.005 45.100 0.020 0.000 0.767 260 G HN 0.780 nan 8.290 nan 0.000 0.552 261 R N -0.922 119.503 120.500 -0.124 0.000 2.328 261 R HA 0.153 4.493 4.340 0.001 0.000 0.200 261 R C 0.236 176.215 176.300 -0.535 0.000 0.983 261 R CA 0.428 56.325 56.100 -0.339 0.000 1.062 261 R CB -0.249 29.761 30.300 -0.483 0.000 0.956 261 R HN 0.436 nan 8.270 nan 0.000 0.479 262 Y N 0.366 120.698 120.300 0.053 0.000 2.715 262 Y HA 0.210 4.761 4.550 0.001 0.000 0.255 262 Y C 1.163 177.217 175.900 0.258 0.000 1.139 262 Y CA -0.434 57.723 58.100 0.096 0.000 1.151 262 Y CB 1.171 39.492 38.460 -0.232 0.000 1.201 262 Y HN 0.194 nan 8.280 nan 0.000 0.556 263 S N -0.805 115.024 115.700 0.215 0.000 2.523 263 S HA -0.001 4.469 4.470 0.001 0.000 0.217 263 S C 1.593 176.245 174.600 0.085 0.000 0.996 263 S CA 0.031 58.349 58.200 0.197 0.000 0.921 263 S CB -0.496 62.771 63.200 0.111 0.000 0.829 263 S HN 0.406 nan 8.310 nan 0.000 0.495 264 L N -1.279 119.856 121.223 -0.145 0.000 2.265 264 L HA 0.299 4.640 4.340 0.001 0.000 0.215 264 L C 1.787 178.572 176.870 -0.142 0.000 1.117 264 L CA 0.927 55.610 54.840 -0.262 0.000 0.782 264 L CB -1.539 40.221 42.059 -0.498 0.000 0.914 264 L HN 0.366 nan 8.230 nan 0.000 0.441 265 W N 0.850 122.283 121.300 0.220 0.000 2.678 265 W HA 0.195 4.855 4.660 0.001 0.000 0.256 265 W C 1.853 178.605 176.519 0.388 0.000 1.280 265 W CA 0.411 57.906 57.345 0.251 0.000 1.345 265 W CB -0.778 28.788 29.460 0.178 0.000 1.118 265 W HN 0.359 nan 8.180 nan 0.000 0.629 266 S N -0.757 115.228 115.700 0.476 0.000 2.623 266 S HA 0.250 4.720 4.470 0.001 0.000 0.278 266 S C 1.361 176.106 174.600 0.241 0.000 1.148 266 S CA -0.090 58.345 58.200 0.391 0.000 1.028 266 S CB 0.848 64.227 63.200 0.299 0.000 1.145 266 S HN -0.043 nan 8.310 nan 0.000 0.523 267 S N 0.508 116.282 115.700 0.124 0.000 2.440 267 S HA -0.034 4.437 4.470 0.001 0.000 0.238 267 S C 1.727 176.303 174.600 -0.040 0.000 1.010 267 S CA 0.649 58.852 58.200 0.005 0.000 0.972 267 S CB -0.657 62.536 63.200 -0.013 0.000 0.774 267 S HN 0.555 nan 8.310 nan 0.000 0.501 268 I N 1.610 122.183 120.570 0.005 0.000 2.423 268 I HA -0.097 4.073 4.170 0.001 0.000 0.254 268 I C 1.735 177.842 176.117 -0.017 0.000 1.151 268 I CA 0.643 61.943 61.300 -0.001 0.000 1.421 268 I CB -1.915 36.094 38.000 0.016 0.000 1.079 268 I HN 0.231 nan 8.210 nan 0.000 0.431 272 I N 3.433 124.009 120.570 0.009 0.000 2.142 272 I HA -0.073 4.098 4.170 0.001 0.000 0.240 272 I C 3.072 179.155 176.117 -0.057 0.000 1.078 272 I CA 1.752 63.060 61.300 0.014 0.000 1.343 272 I CB -0.573 37.481 38.000 0.091 0.000 1.046 272 I HN 0.545 nan 8.210 nan 0.000 0.405 273 A N 0.534 123.211 122.820 -0.239 0.000 1.940 273 A HA -0.212 4.109 4.320 0.001 0.000 0.219 273 A C 2.071 179.542 177.584 -0.189 0.000 1.176 273 A CA 1.560 53.438 52.037 -0.266 0.000 0.631 273 A CB -1.009 17.719 19.000 -0.454 0.000 0.814 273 A HN 0.362 nan 8.150 nan 0.000 0.446 274 F N -0.135 119.722 119.950 -0.154 0.000 2.333 274 F HA -0.035 4.493 4.527 0.001 0.000 0.300 274 F C 2.545 178.244 175.800 -0.169 0.000 1.083 274 F CA 0.758 58.665 58.000 -0.156 0.000 1.395 274 F CB -0.245 38.636 39.000 -0.198 0.000 1.056 274 F HN 0.288 nan 8.300 nan 0.000 0.529 275 A N 0.105 122.899 122.820 -0.044 0.000 1.887 275 A HA 0.094 4.414 4.320 0.001 0.000 0.212 275 A C 1.933 179.405 177.584 -0.185 0.000 1.198 275 A CA 1.211 53.084 52.037 -0.275 0.000 0.628 275 A CB -0.674 18.000 19.000 -0.543 0.000 0.847 275 A HN 0.392 nan 8.150 nan 0.000 0.449 276 I N -4.129 116.410 120.570 -0.052 0.000 4.018 276 I HA 0.528 4.698 4.170 0.001 0.000 0.337 276 I C 0.776 176.939 176.117 0.076 0.000 1.327 276 I CA 0.210 61.553 61.300 0.072 0.000 1.100 276 I CB -0.108 37.972 38.000 0.133 0.000 1.025 276 I HN 0.428 nan 8.210 nan 0.000 0.396 277 G N 1.302 110.124 108.800 0.036 0.000 2.755 277 G HA2 -0.345 3.615 3.960 0.001 0.000 0.686 277 G HA3 -0.345 3.615 3.960 0.001 0.000 0.686 277 G C -0.279 174.657 174.900 0.060 0.000 1.427 277 G CA 0.178 45.310 45.100 0.054 0.000 0.873 277 G HN 0.339 nan 8.290 nan 0.000 0.580 278 Y N 0.508 120.812 120.300 0.007 0.000 2.293 278 Y HA -0.021 4.529 4.550 0.001 0.000 0.291 278 Y C 2.582 178.563 175.900 0.135 0.000 1.137 278 Y CA 2.464 60.598 58.100 0.056 0.000 1.202 278 Y CB 0.002 38.459 38.460 -0.004 0.000 0.990 278 Y HN 0.788 nan 8.280 nan 0.000 0.537 279 D N -0.577 119.924 120.400 0.168 0.000 2.144 279 D HA -0.197 4.443 4.640 0.001 0.000 0.199 279 D C 1.723 178.062 176.300 0.065 0.000 0.984 279 D CA 1.551 55.628 54.000 0.128 0.000 0.834 279 D CB -0.189 40.683 40.800 0.121 0.000 0.955 279 D HN 0.215 nan 8.370 nan 0.000 0.465 280 N N -0.593 118.142 118.700 0.058 0.000 2.244 280 N HA -0.139 4.602 4.740 0.001 0.000 0.183 280 N C 1.547 177.050 175.510 -0.011 0.000 1.016 280 N CA 0.383 53.447 53.050 0.023 0.000 0.866 280 N CB -0.443 38.070 38.487 0.043 0.000 0.980 280 N HN 0.276 nan 8.380 nan 0.000 0.430 281 F N 2.369 122.198 119.950 -0.202 0.000 2.134 281 F HA -0.104 4.424 4.527 0.001 0.000 0.299 281 F C 2.087 177.760 175.800 -0.213 0.000 1.097 281 F CA 1.343 59.175 58.000 -0.282 0.000 1.264 281 F CB -0.082 38.587 39.000 -0.551 0.000 1.001 281 F HN 0.026 nan 8.300 nan 0.000 0.479 282 E N 0.104 120.188 120.200 -0.194 0.000 2.118 282 E HA -0.240 4.111 4.350 0.001 0.000 0.195 282 E C 2.095 178.659 176.600 -0.059 0.000 0.992 282 E CA 1.509 57.847 56.400 -0.103 0.000 0.804 282 E CB -0.154 29.579 29.700 0.055 0.000 0.741 282 E HN 0.463 nan 8.360 nan 0.000 0.458 283 K N 0.475 120.864 120.400 -0.018 0.000 2.057 283 K HA -0.142 4.178 4.320 0.001 0.000 0.206 283 K C 2.222 178.842 176.600 0.032 0.000 1.050 283 K CA 0.716 57.046 56.287 0.072 0.000 0.935 283 K CB -0.183 32.361 32.500 0.073 0.000 0.715 283 K HN 0.027 nan 8.250 nan 0.000 0.439 284 L N 1.230 122.402 121.223 -0.085 0.000 2.013 284 L HA -0.219 4.122 4.340 0.001 0.000 0.212 284 L C 1.881 178.735 176.870 -0.027 0.000 1.073 284 L CA 1.658 56.446 54.840 -0.088 0.000 0.753 284 L CB -0.370 41.576 42.059 -0.189 0.000 0.890 284 L HN 0.039 nan 8.230 nan 0.000 0.432 285 L N -0.260 120.879 121.223 -0.140 0.000 2.093 285 L HA -0.083 4.258 4.340 0.001 0.000 0.208 285 L C 2.669 179.514 176.870 -0.042 0.000 1.085 285 L CA 1.832 56.638 54.840 -0.057 0.000 0.755 285 L CB -1.447 40.539 42.059 -0.120 0.000 0.904 285 L HN 0.358 nan 8.230 nan 0.000 0.435 286 A N -0.443 122.372 122.820 -0.008 0.000 1.933 286 A HA -0.086 4.235 4.320 0.001 0.000 0.218 286 A C 2.440 179.927 177.584 -0.161 0.000 1.175 286 A CA 1.589 53.668 52.037 0.071 0.000 0.628 286 A CB -1.278 17.861 19.000 0.231 0.000 0.814 286 A HN 0.426 nan 8.150 nan 0.000 0.444 287 G N -0.465 108.007 108.800 -0.548 0.000 2.418 287 G HA2 0.009 3.969 3.960 0.001 0.000 0.217 287 G HA3 0.009 3.969 3.960 0.001 0.000 0.217 287 G C 1.744 176.401 174.900 -0.406 0.000 1.158 287 G CA 1.394 45.863 45.100 -1.052 0.000 0.771 287 G HN 0.773 nan 8.290 nan 0.000 0.545 288 A N 0.091 122.768 122.820 -0.239 0.000 1.902 288 A HA -0.070 4.251 4.320 0.001 0.000 0.217 288 A C 2.212 179.693 177.584 -0.171 0.000 1.181 288 A CA 1.762 53.637 52.037 -0.271 0.000 0.623 288 A CB -0.764 17.826 19.000 -0.684 0.000 0.818 288 A HN 0.483 nan 8.150 nan 0.000 0.443 289 Y N 2.069 122.265 120.300 -0.174 0.000 2.165 289 Y HA -0.284 4.266 4.550 0.001 0.000 0.286 289 Y C 2.875 178.782 175.900 0.012 0.000 1.155 289 Y CA 1.952 60.018 58.100 -0.057 0.000 1.164 289 Y CB -0.532 37.913 38.460 -0.026 0.000 0.978 289 Y HN 0.452 nan 8.280 nan 0.000 0.513 290 S N -1.029 114.629 115.700 -0.070 0.000 2.374 290 S HA -0.205 4.266 4.470 0.001 0.000 0.227 290 S C 1.996 176.556 174.600 -0.068 0.000 1.037 290 S CA 1.785 60.002 58.200 0.027 0.000 1.024 290 S CB -1.278 62.086 63.200 0.274 0.000 0.861 290 S HN 0.248 nan 8.310 nan 0.000 0.456 291 V N 2.542 122.378 119.914 -0.129 0.000 2.453 291 V HA -0.091 4.029 4.120 0.001 0.000 0.247 291 V C 2.405 178.501 176.094 0.003 0.000 1.048 291 V CA 1.894 64.075 62.300 -0.199 0.000 1.049 291 V CB -0.836 30.903 31.823 -0.139 0.000 0.672 291 V HN 0.434 nan 8.190 nan 0.000 0.457 292 D N 0.238 120.644 120.400 0.010 0.000 2.123 292 D HA -0.213 4.428 4.640 0.001 0.000 0.196 292 D C 2.126 178.367 176.300 -0.098 0.000 0.992 292 D CA 1.535 55.636 54.000 0.167 0.000 0.833 292 D CB -0.171 40.737 40.800 0.180 0.000 0.954 292 D HN 0.412 nan 8.370 nan 0.000 0.455 293 K N -0.062 120.116 120.400 -0.370 0.000 2.057 293 K HA -0.191 4.130 4.320 0.001 0.000 0.207 293 K C 2.241 178.732 176.600 -0.183 0.000 1.049 293 K CA 1.066 57.134 56.287 -0.366 0.000 0.931 293 K CB -0.110 32.129 32.500 -0.435 0.000 0.714 293 K HN 0.223 nan 8.250 nan 0.000 0.440 294 H N -0.260 118.694 119.070 -0.194 0.000 2.290 294 H HA -0.206 4.350 4.556 0.001 0.000 0.298 294 H C 1.993 177.272 175.328 -0.080 0.000 1.087 294 H CA 2.157 58.119 56.048 -0.143 0.000 1.291 294 H CB -0.275 29.300 29.762 -0.311 0.000 1.369 294 H HN 0.291 nan 8.280 nan 0.000 0.492 295 F N 1.902 121.736 119.950 -0.193 0.000 2.134 295 F HA -0.084 4.444 4.527 0.001 0.000 0.299 295 F C 2.738 178.396 175.800 -0.237 0.000 1.097 295 F CA 1.810 59.681 58.000 -0.214 0.000 1.264 295 F CB -0.440 38.438 39.000 -0.203 0.000 1.001 295 F HN 0.060 nan 8.300 nan 0.000 0.479 296 K N -0.001 120.123 120.400 -0.461 0.000 2.148 296 K HA -0.142 4.179 4.320 0.001 0.000 0.204 296 K C 1.616 177.935 176.600 -0.468 0.000 1.050 296 K CA 1.822 57.720 56.287 -0.650 0.000 0.942 296 K CB -0.080 31.847 32.500 -0.955 0.000 0.724 296 K HN 0.415 nan 8.250 nan 0.000 0.446 297 E N -0.657 119.322 120.200 -0.369 0.000 2.447 297 E HA 0.046 4.396 4.350 0.001 0.000 0.204 297 E C -0.369 176.078 176.600 -0.256 0.000 0.977 297 E CA 0.052 56.284 56.400 -0.281 0.000 0.950 297 E CB 1.105 30.677 29.700 -0.214 0.000 0.975 297 E HN 0.067 nan 8.360 nan 0.000 0.496 298 T N 2.586 116.959 114.554 -0.302 0.000 2.799 298 T HA 0.085 4.435 4.350 0.001 0.000 0.286 298 T C -0.103 174.471 174.700 -0.210 0.000 0.973 298 T CA -0.592 61.348 62.100 -0.267 0.000 1.035 298 T CB 1.129 69.743 68.868 -0.424 0.000 0.932 298 T HN 0.156 nan 8.240 nan 0.000 0.469 299 E N 2.751 122.842 120.200 -0.181 0.000 2.481 299 E HA -0.051 4.299 4.350 0.001 0.000 0.263 299 E C 0.012 176.589 176.600 -0.039 0.000 0.992 299 E CA -0.352 55.926 56.400 -0.203 0.000 0.938 299 E CB 0.259 29.867 29.700 -0.152 0.000 0.933 299 E HN 0.396 nan 8.360 nan 0.000 0.453 300 F N 1.766 121.655 119.950 -0.101 0.000 2.202 300 F HA -0.196 4.332 4.527 0.001 0.000 0.301 300 F C 2.683 178.457 175.800 -0.043 0.000 1.082 300 F CA 1.403 59.353 58.000 -0.084 0.000 1.313 300 F CB -1.183 37.770 39.000 -0.078 0.000 1.024 300 F HN 0.622 nan 8.300 nan 0.000 0.495 301 S N -0.849 114.944 115.700 0.154 0.000 2.474 301 S HA -0.095 4.376 4.470 0.001 0.000 0.235 301 S C 1.313 175.997 174.600 0.140 0.000 0.997 301 S CA 0.745 59.023 58.200 0.129 0.000 0.949 301 S CB -0.219 63.041 63.200 0.100 0.000 0.766 301 S HN 0.217 nan 8.310 nan 0.000 0.517 302 K N 1.290 121.757 120.400 0.112 0.000 2.506 302 K HA 0.306 4.626 4.320 0.001 0.000 0.204 302 K C -0.503 176.173 176.600 0.127 0.000 1.045 302 K CA -0.135 56.233 56.287 0.135 0.000 1.074 302 K CB -0.007 32.554 32.500 0.103 0.000 0.842 302 K HN 0.300 nan 8.250 nan 0.000 0.514 303 N N 1.851 120.598 118.700 0.080 0.000 2.469 303 N HA 0.244 4.985 4.740 0.001 0.000 0.253 303 N C 0.932 176.488 175.510 0.077 0.000 0.970 303 N CA -0.095 52.975 53.050 0.032 0.000 0.940 303 N CB 0.726 39.235 38.487 0.038 0.000 1.128 303 N HN -0.043 nan 8.380 nan 0.000 0.503 304 I N 4.571 125.259 120.570 0.197 0.000 2.127 304 I HA -0.150 4.021 4.170 0.001 0.000 0.241 304 I C -0.742 175.142 176.117 -0.389 0.000 1.075 304 I CA 1.059 62.168 61.300 -0.318 0.000 1.334 304 I CB -0.883 36.804 38.000 -0.522 0.000 1.040 304 I HN 0.461 nan 8.210 nan 0.000 0.405 305 P HA -0.098 nan 4.420 nan 0.000 0.218 305 P C 1.925 179.119 177.300 -0.177 0.000 1.149 305 P CA 1.076 64.044 63.100 -0.220 0.000 0.817 305 P CB 0.026 31.588 31.700 -0.228 0.000 0.785 306 V N -0.267 119.595 119.914 -0.087 0.000 2.307 306 V HA -0.161 3.959 4.120 0.001 0.000 0.245 306 V C 1.752 177.721 176.094 -0.209 0.000 1.045 306 V CA 1.130 63.327 62.300 -0.172 0.000 1.024 306 V CB -0.810 30.883 31.823 -0.218 0.000 0.651 306 V HN 0.022 nan 8.190 nan 0.000 0.449 310 L N 0.776 121.849 121.223 -0.250 0.000 2.017 310 L HA -0.139 4.201 4.340 0.001 0.000 0.208 310 L C 2.489 179.308 176.870 -0.085 0.000 1.073 310 L CA 1.778 56.506 54.840 -0.188 0.000 0.745 310 L CB -0.517 41.456 42.059 -0.143 0.000 0.894 310 L HN 0.481 nan 8.230 nan 0.000 0.432 311 L N -0.514 120.648 121.223 -0.101 0.000 2.017 311 L HA -0.216 4.125 4.340 0.001 0.000 0.208 311 L C 2.899 179.737 176.870 -0.054 0.000 1.073 311 L CA 1.279 56.050 54.840 -0.115 0.000 0.745 311 L CB -0.792 41.244 42.059 -0.039 0.000 0.894 311 L HN 0.248 nan 8.230 nan 0.000 0.432 312 A N -0.644 122.208 122.820 0.053 0.000 1.877 312 A HA -0.202 4.118 4.320 0.001 0.000 0.216 312 A C 2.497 180.191 177.584 0.183 0.000 1.186 312 A CA 2.231 54.370 52.037 0.171 0.000 0.620 312 A CB -0.689 18.371 19.000 0.101 0.000 0.822 312 A HN 0.378 nan 8.150 nan 0.000 0.443 313 S N -1.781 113.934 115.700 0.025 0.000 2.402 313 S HA -0.107 4.364 4.470 0.001 0.000 0.229 313 S C 1.796 176.630 174.600 0.390 0.000 1.021 313 S CA 1.204 59.454 58.200 0.084 0.000 0.974 313 S CB -0.517 62.343 63.200 -0.567 0.000 0.800 313 S HN 0.680 nan 8.310 nan 0.000 0.484 314 Y N 1.629 122.049 120.300 0.200 0.000 2.128 314 Y HA -0.238 4.313 4.550 0.001 0.000 0.284 314 Y C 1.891 177.914 175.900 0.206 0.000 1.154 314 Y CA 1.304 59.505 58.100 0.168 0.000 1.149 314 Y CB -0.788 37.636 38.460 -0.059 0.000 0.976 314 Y HN 0.204 nan 8.280 nan 0.000 0.505 315 Y N 0.334 120.704 120.300 0.117 0.000 2.145 315 Y HA -0.209 4.341 4.550 0.001 0.000 0.286 315 Y C 3.067 179.041 175.900 0.125 0.000 1.145 315 Y CA 1.665 59.795 58.100 0.050 0.000 1.148 315 Y CB -1.315 37.252 38.460 0.178 0.000 0.981 315 Y HN 0.311 nan 8.280 nan 0.000 0.507 316 S N -1.981 113.933 115.700 0.356 0.000 2.489 316 S HA -0.150 4.321 4.470 0.001 0.000 0.228 316 S C 2.134 176.876 174.600 0.235 0.000 0.995 316 S CA 0.651 59.029 58.200 0.297 0.000 0.934 316 S CB -1.126 62.271 63.200 0.327 0.000 0.771 316 S HN 0.559 nan 8.310 nan 0.000 0.522 317 C N 2.022 121.471 119.300 0.248 0.000 2.543 317 C HA 0.054 4.515 4.460 0.001 0.000 0.281 317 C C 2.806 177.810 174.990 0.023 0.000 1.276 317 C CA 1.382 60.502 59.018 0.170 0.000 1.700 317 C CB -1.191 26.684 27.740 0.225 0.000 2.093 317 C HN 0.641 nan 8.230 nan 0.000 0.488 318 T N -1.370 113.139 114.554 -0.075 0.000 3.009 318 T HA 0.082 4.433 4.350 0.001 0.000 0.258 318 T C 1.083 175.565 174.700 -0.363 0.000 1.063 318 T CA 1.090 63.038 62.100 -0.254 0.000 1.139 318 T CB -0.265 68.328 68.868 -0.459 0.000 0.890 318 T HN 0.661 nan 8.240 nan 0.000 0.471 319 Y N 1.309 121.440 120.300 -0.280 0.000 2.449 319 Y HA 0.272 4.823 4.550 0.001 0.000 0.254 319 Y C 0.814 176.608 175.900 -0.176 0.000 1.140 319 Y CA -0.695 57.185 58.100 -0.367 0.000 1.272 319 Y CB 0.054 38.007 38.460 -0.845 0.000 1.114 319 Y HN 0.060 nan 8.280 nan 0.000 0.525 320 N N 0.337 119.060 118.700 0.038 0.000 2.714 320 N HA -0.175 4.565 4.740 0.001 0.000 0.250 320 N C -0.130 175.445 175.510 0.107 0.000 1.117 320 N CA 1.126 54.211 53.050 0.058 0.000 0.719 320 N CB -1.612 36.884 38.487 0.016 0.000 1.081 320 N HN 0.367 nan 8.380 nan 0.000 0.557 321 S N -0.456 115.349 115.700 0.176 0.000 2.579 321 S HA 0.227 4.697 4.470 0.001 0.000 0.275 321 S C 0.938 175.638 174.600 0.167 0.000 1.345 321 S CA -0.108 58.227 58.200 0.225 0.000 1.031 321 S CB 1.516 64.937 63.200 0.369 0.000 0.892 321 S HN 0.326 nan 8.310 nan 0.000 0.529 322 Q N 0.293 120.176 119.800 0.138 0.000 2.118 322 Q HA 0.268 4.608 4.340 0.001 0.000 0.219 322 Q C -0.213 175.851 176.000 0.108 0.000 0.794 322 Q CA -0.147 55.714 55.803 0.096 0.000 1.035 322 Q CB 0.942 29.709 28.738 0.049 0.000 1.177 322 Q HN 0.903 nan 8.270 nan 0.000 0.478 323 S N -0.529 115.266 115.700 0.158 0.000 2.588 323 S HA 0.540 5.010 4.470 0.001 0.000 0.269 323 S C -1.446 173.277 174.600 0.205 0.000 1.157 323 S CA -0.842 57.491 58.200 0.221 0.000 0.824 323 S CB 2.124 65.513 63.200 0.314 0.000 1.126 323 S HN 0.079 nan 8.310 nan 0.000 0.464 324 Q N 0.063 119.958 119.800 0.158 0.000 2.331 324 Q HA 0.719 5.059 4.340 0.001 0.000 0.272 324 Q C -1.177 174.608 176.000 -0.357 0.000 1.062 324 Q CA -0.928 54.858 55.803 -0.029 0.000 0.806 324 Q CB 2.462 31.205 28.738 0.008 0.000 1.312 324 Q HN 1.031 nan 8.270 nan 0.000 0.431 325 A N 2.111 124.587 122.820 -0.573 0.000 2.305 325 A HA 0.713 5.034 4.320 0.001 0.000 0.322 325 A C -1.386 175.837 177.584 -0.602 0.000 1.187 325 A CA -0.441 50.968 52.037 -1.047 0.000 0.825 325 A CB 0.684 18.994 19.000 -1.150 0.000 1.164 325 A HN 0.524 nan 8.150 nan 0.000 0.498 326 L N 3.171 124.071 121.223 -0.538 0.000 2.349 326 L HA 0.655 4.995 4.340 0.001 0.000 0.278 326 L C -1.318 175.438 176.870 -0.190 0.000 0.996 326 L CA -0.174 54.508 54.840 -0.264 0.000 0.825 326 L CB 1.235 43.189 42.059 -0.176 0.000 1.243 326 L HN 0.575 nan 8.230 nan 0.000 0.412 327 L N 7.271 128.432 121.223 -0.104 0.000 2.417 327 L HA 0.489 4.829 4.340 0.001 0.000 0.259 327 L C -2.388 174.636 176.870 0.258 0.000 1.023 327 L CA -1.516 53.354 54.840 0.050 0.000 0.901 327 L CB 1.395 43.440 42.059 -0.024 0.000 1.227 327 L HN 0.447 nan 8.230 nan 0.000 0.454 328 P HA 0.154 nan 4.420 nan 0.000 0.287 328 P C -0.818 176.590 177.300 0.181 0.000 1.294 328 P CA -0.197 63.019 63.100 0.193 0.000 0.776 328 P CB 0.422 32.176 31.700 0.091 0.000 0.889 329 Y N 2.545 122.906 120.300 0.103 0.000 2.903 329 Y HA 0.282 4.832 4.550 0.001 0.000 0.387 329 Y C 0.411 176.340 175.900 0.047 0.000 1.189 329 Y CA 0.382 58.531 58.100 0.083 0.000 1.856 329 Y CB -0.110 38.402 38.460 0.087 0.000 1.917 329 Y HN 0.289 nan 8.280 nan 0.000 0.448 330 D N 0.005 120.447 120.400 0.071 0.000 2.871 330 D HA 0.038 4.678 4.640 0.001 0.000 0.209 330 D C 0.425 176.728 176.300 0.006 0.000 1.292 330 D CA -0.130 53.902 54.000 0.053 0.000 0.869 330 D CB 1.498 42.340 40.800 0.069 0.000 1.663 330 D HN 0.165 nan 8.370 nan 0.000 0.557 331 E N 1.951 122.151 120.200 0.000 0.000 2.171 331 E HA -0.178 4.172 4.350 0.001 0.000 0.197 331 E C 1.506 178.083 176.600 -0.039 0.000 0.997 331 E CA 1.050 57.432 56.400 -0.031 0.000 0.810 331 E CB 0.156 29.844 29.700 -0.020 0.000 0.738 331 E HN 0.488 nan 8.360 nan 0.000 0.467 332 R N 0.076 120.574 120.500 -0.004 0.000 2.193 332 R HA -0.011 4.330 4.340 0.001 0.000 0.229 332 R C 1.831 178.120 176.300 -0.018 0.000 1.110 332 R CA 0.501 56.594 56.100 -0.012 0.000 0.988 332 R CB -0.132 30.174 30.300 0.010 0.000 0.871 332 R HN 0.122 nan 8.270 nan 0.000 0.458 333 L N 0.947 122.156 121.223 -0.024 0.000 2.688 333 L HA 0.047 4.388 4.340 0.001 0.000 0.234 333 L C 2.066 178.946 176.870 0.017 0.000 1.192 333 L CA -0.425 54.413 54.840 -0.003 0.000 0.984 333 L CB -0.075 41.939 42.059 -0.075 0.000 1.232 333 L HN 0.368 nan 8.230 nan 0.000 0.465 334 C N -0.649 118.588 119.300 -0.106 0.000 2.410 334 C HA -0.207 4.254 4.460 0.001 0.000 0.281 334 C C 1.968 176.787 174.990 -0.285 0.000 1.318 334 C CA 0.665 59.535 59.018 -0.246 0.000 1.776 334 C CB -0.857 26.637 27.740 -0.410 0.000 1.942 334 C HN 0.572 nan 8.230 nan 0.000 0.508 335 Y N -1.213 119.123 120.300 0.060 0.000 2.507 335 Y HA 0.281 4.831 4.550 0.001 0.000 0.254 335 Y C 1.820 177.779 175.900 0.098 0.000 1.171 335 Y CA -0.559 57.566 58.100 0.042 0.000 1.238 335 Y CB -0.898 37.552 38.460 -0.017 0.000 1.148 335 Y HN 0.315 nan 8.280 nan 0.000 0.525 336 F N 0.039 120.039 119.950 0.084 0.000 2.102 336 F HA -0.204 4.323 4.527 0.001 0.000 0.298 336 F C 2.023 177.861 175.800 0.064 0.000 1.105 336 F CA 1.491 59.533 58.000 0.071 0.000 1.239 336 F CB -0.471 38.537 39.000 0.013 0.000 0.991 336 F HN -0.141 nan 8.300 nan 0.000 0.474 337 V N 0.452 120.384 119.914 0.029 0.000 2.287 337 V HA -0.321 3.799 4.120 0.001 0.000 0.248 337 V C 2.117 178.139 176.094 -0.120 0.000 1.053 337 V CA 2.234 64.469 62.300 -0.108 0.000 1.027 337 V CB -0.750 31.049 31.823 -0.040 0.000 0.646 337 V HN 0.272 nan 8.190 nan 0.000 0.447 338 D N -0.939 119.453 120.400 -0.014 0.000 2.123 338 D HA -0.221 4.419 4.640 0.001 0.000 0.196 338 D C 1.919 178.158 176.300 -0.103 0.000 0.992 338 D CA 1.850 55.837 54.000 -0.022 0.000 0.833 338 D CB -0.377 40.464 40.800 0.068 0.000 0.954 338 D HN 0.660 nan 8.370 nan 0.000 0.455 339 Y N 1.075 121.268 120.300 -0.179 0.000 2.145 339 Y HA -0.158 4.392 4.550 0.001 0.000 0.286 339 Y C 2.053 177.770 175.900 -0.306 0.000 1.145 339 Y CA 0.997 58.954 58.100 -0.239 0.000 1.148 339 Y CB -0.477 37.840 38.460 -0.238 0.000 0.981 339 Y HN -0.062 nan 8.280 nan 0.000 0.507 340 L N 1.113 121.862 121.223 -0.791 0.000 2.141 340 L HA -0.164 4.177 4.340 0.001 0.000 0.209 340 L C 2.244 178.799 176.870 -0.525 0.000 1.094 340 L CA 1.652 56.005 54.840 -0.812 0.000 0.763 340 L CB -0.962 40.675 42.059 -0.703 0.000 0.908 340 L HN 0.391 nan 8.230 nan 0.000 0.437 341 Q N -1.000 118.578 119.800 -0.371 0.000 2.061 341 Q HA -0.308 4.032 4.340 0.001 0.000 0.204 341 Q C 2.209 178.053 176.000 -0.260 0.000 0.984 341 Q CA 2.202 57.863 55.803 -0.238 0.000 0.846 341 Q CB -0.221 28.425 28.738 -0.154 0.000 0.902 341 Q HN 0.657 nan 8.270 nan 0.000 0.421 342 Q N -0.004 119.596 119.800 -0.333 0.000 2.046 342 Q HA -0.171 4.170 4.340 0.001 0.000 0.200 342 Q C 2.055 177.824 176.000 -0.385 0.000 0.975 342 Q CA 1.321 56.932 55.803 -0.319 0.000 0.836 342 Q CB -0.158 28.391 28.738 -0.315 0.000 0.896 342 Q HN 0.377 nan 8.270 nan 0.000 0.428 343 A N 0.889 123.360 122.820 -0.582 0.000 1.908 343 A HA -0.166 4.154 4.320 0.001 0.000 0.218 343 A C 1.239 178.655 177.584 -0.280 0.000 1.181 343 A CA 1.469 53.176 52.037 -0.549 0.000 0.627 343 A CB -0.583 18.023 19.000 -0.656 0.000 0.818 343 A HN 0.546 nan 8.150 nan 0.000 0.445 347 S N 0.830 116.491 115.700 -0.066 0.000 2.345 347 S HA 0.032 4.503 4.470 0.001 0.000 0.219 347 S C 1.278 175.867 174.600 -0.019 0.000 1.031 347 S CA 1.080 59.250 58.200 -0.051 0.000 0.984 347 S CB -0.078 63.109 63.200 -0.022 0.000 0.874 347 S HN 0.210 nan 8.310 nan 0.000 0.451 348 N N 0.664 119.383 118.700 0.032 0.000 2.205 348 N HA 0.169 4.909 4.740 0.001 0.000 0.201 348 N C 0.433 175.965 175.510 0.036 0.000 1.128 348 N CA 0.039 53.153 53.050 0.106 0.000 0.867 348 N CB 0.464 39.122 38.487 0.286 0.000 0.996 348 N HN 0.299 nan 8.380 nan 0.000 0.503 349 G N 1.295 110.092 108.800 -0.004 0.000 2.985 349 G HA2 0.160 4.120 3.960 0.001 0.000 0.282 349 G HA3 0.160 4.120 3.960 0.001 0.000 0.282 349 G C 0.040 174.921 174.900 -0.031 0.000 0.791 349 G CA -0.012 45.067 45.100 -0.035 0.000 1.934 349 G HN -0.137 nan 8.290 nan 0.000 0.563 350 K N 0.703 121.076 120.400 -0.045 0.000 2.469 350 K HA 0.428 4.748 4.320 0.001 0.000 0.254 350 K C 0.027 176.582 176.600 -0.074 0.000 0.939 350 K CA -0.884 55.387 56.287 -0.026 0.000 0.812 350 K CB 1.988 34.498 32.500 0.016 0.000 1.301 350 K HN 0.090 nan 8.250 nan 0.000 0.433 351 S N -0.137 115.526 115.700 -0.062 0.000 2.526 351 S HA 0.073 4.543 4.470 0.001 0.000 0.220 351 S C 0.558 175.094 174.600 -0.108 0.000 1.017 351 S CA -0.336 57.801 58.200 -0.104 0.000 0.930 351 S CB 0.511 63.661 63.200 -0.083 0.000 0.856 351 S HN 0.488 nan 8.310 nan 0.000 0.497 352 V N 1.800 121.681 119.914 -0.056 0.000 2.715 352 V HA 0.710 4.831 4.120 0.001 0.000 0.310 352 V C -0.425 175.669 176.094 0.001 0.000 1.054 352 V CA -1.373 60.903 62.300 -0.039 0.000 0.928 352 V CB 1.398 33.213 31.823 -0.013 0.000 1.007 352 V HN 0.288 nan 8.190 nan 0.000 0.437 353 N N 3.103 121.810 118.700 0.012 0.000 2.322 353 N HA 0.253 4.993 4.740 0.001 0.000 0.270 353 N C 0.883 176.441 175.510 0.080 0.000 1.286 353 N CA -0.553 52.541 53.050 0.072 0.000 0.948 353 N CB 0.107 38.653 38.487 0.099 0.000 1.164 353 N HN 0.493 nan 8.380 nan 0.000 0.551 354 I N -0.922 119.709 120.570 0.102 0.000 2.335 354 I HA -0.207 3.963 4.170 0.001 0.000 0.251 354 I C 1.903 178.069 176.117 0.082 0.000 1.129 354 I CA 1.485 62.845 61.300 0.101 0.000 1.402 354 I CB -1.965 36.102 38.000 0.111 0.000 1.069 354 I HN 0.760 nan 8.210 nan 0.000 0.424 355 A N -0.231 122.632 122.820 0.071 0.000 2.238 355 A HA 0.326 4.646 4.320 0.001 0.000 0.208 355 A C 1.919 179.526 177.584 0.038 0.000 1.177 355 A CA 0.902 52.972 52.037 0.056 0.000 0.804 355 A CB -0.571 18.461 19.000 0.053 0.000 0.823 355 A HN 0.567 nan 8.150 nan 0.000 0.482 356 G N -0.603 108.218 108.800 0.034 0.000 2.143 356 G HA2 -0.229 3.732 3.960 0.001 0.000 0.249 356 G HA3 -0.229 3.732 3.960 0.001 0.000 0.249 356 G C -0.190 174.709 174.900 -0.001 0.000 0.981 356 G CA 0.306 45.413 45.100 0.012 0.000 0.665 356 G HN 0.635 nan 8.290 nan 0.000 0.528 357 E N 0.879 121.080 120.200 0.002 0.000 2.301 357 E HA 0.473 4.824 4.350 0.001 0.000 0.275 357 E C 0.244 176.820 176.600 -0.041 0.000 1.030 357 E CA -0.245 56.147 56.400 -0.013 0.000 0.852 357 E CB 0.806 30.506 29.700 0.001 0.000 1.060 357 E HN 0.115 nan 8.360 nan 0.000 0.401 358 T N 2.028 116.549 114.554 -0.056 0.000 2.853 358 T HA 0.127 4.478 4.350 0.001 0.000 0.298 358 T C 0.173 174.786 174.700 -0.145 0.000 0.978 358 T CA -0.544 61.500 62.100 -0.093 0.000 1.152 358 T CB 0.150 68.972 68.868 -0.078 0.000 0.914 358 T HN 0.333 nan 8.240 nan 0.000 0.539 359 V N 2.433 122.196 119.914 -0.252 0.000 2.649 359 V HA 0.333 4.454 4.120 0.001 0.000 0.292 359 V C 0.952 176.779 176.094 -0.444 0.000 1.055 359 V CA -0.646 61.365 62.300 -0.482 0.000 1.023 359 V CB 0.959 32.225 31.823 -0.927 0.000 0.992 359 V HN 0.947 nan 8.190 nan 0.000 0.480 360 N N 2.090 120.569 118.700 -0.369 0.000 2.313 360 N HA 0.190 4.930 4.740 0.001 0.000 0.207 360 N C -0.731 174.738 175.510 -0.068 0.000 1.141 360 N CA -0.295 52.665 53.050 -0.151 0.000 0.830 360 N CB 0.146 38.623 38.487 -0.016 0.000 1.008 360 N HN 0.891 nan 8.380 nan 0.000 0.481 361 Y N -1.508 118.762 120.300 -0.049 0.000 2.576 361 Y HA 0.382 4.932 4.550 0.001 0.000 0.346 361 Y C -0.258 175.551 175.900 -0.152 0.000 1.018 361 Y CA -1.363 56.699 58.100 -0.063 0.000 1.050 361 Y CB 0.345 38.800 38.460 -0.007 0.000 1.280 361 Y HN -0.199 nan 8.280 nan 0.000 0.474 362 Q N 1.572 121.384 119.800 0.020 0.000 2.352 362 Q HA 0.361 4.702 4.340 0.001 0.000 0.260 362 Q C 0.049 175.797 176.000 -0.421 0.000 0.976 362 Q CA 0.461 56.176 55.803 -0.146 0.000 0.881 362 Q CB 1.050 29.749 28.738 -0.065 0.000 1.235 362 Q HN 1.042 nan 8.270 nan 0.000 0.419 363 T N 0.021 114.199 114.554 -0.626 0.000 2.579 363 T HA 0.493 4.843 4.350 0.001 0.000 0.214 363 T C 0.651 174.733 174.700 -1.030 0.000 0.899 363 T CA -0.160 61.158 62.100 -1.303 0.000 1.323 363 T CB -0.494 67.924 68.868 -0.749 0.000 2.982 363 T HN 0.640 nan 8.240 nan 0.000 0.440 364 G N 1.181 109.672 108.800 -0.514 0.000 2.441 364 G HA2 0.474 4.435 3.960 0.001 0.000 0.243 364 G HA3 0.474 4.435 3.960 0.001 0.000 0.243 364 G C 0.137 175.019 174.900 -0.031 0.000 1.281 364 G CA -0.095 44.966 45.100 -0.064 0.000 0.854 364 G HN 1.070 nan 8.290 nan 0.000 0.560 365 V N 0.573 120.536 119.914 0.082 0.000 3.267 365 V HA 0.699 4.820 4.120 0.001 0.000 0.317 365 V C 0.466 176.603 176.094 0.072 0.000 1.131 365 V CA -1.067 61.277 62.300 0.073 0.000 1.031 365 V CB 1.451 33.348 31.823 0.123 0.000 1.159 365 V HN 0.538 nan 8.190 nan 0.000 0.454 366 V N 2.185 122.145 119.914 0.077 0.000 2.572 366 V HA 0.219 4.340 4.120 0.001 0.000 0.291 366 V C 0.134 176.320 176.094 0.153 0.000 1.039 366 V CA 0.115 62.469 62.300 0.090 0.000 1.055 366 V CB 0.694 32.559 31.823 0.070 0.000 0.969 366 V HN 0.727 nan 8.190 nan 0.000 0.482 367 L N 7.974 129.256 121.223 0.098 0.000 2.282 367 L HA 0.704 5.044 4.340 0.001 0.000 0.288 367 L C -0.517 176.415 176.870 0.103 0.000 1.033 367 L CA 0.011 54.879 54.840 0.045 0.000 0.807 367 L CB 0.986 43.014 42.059 -0.053 0.000 1.209 367 L HN 0.829 nan 8.230 nan 0.000 0.423 368 W N 4.274 125.495 121.300 -0.132 0.000 3.003 368 W HA 0.874 5.535 4.660 0.001 0.000 0.362 368 W C -0.520 175.885 176.519 -0.189 0.000 1.213 368 W CA -0.539 56.704 57.345 -0.169 0.000 1.157 368 W CB 0.652 29.991 29.460 -0.201 0.000 1.493 368 W HN 0.864 nan 8.180 nan 0.000 0.589 369 G N -0.352 108.283 108.800 -0.276 0.000 2.441 369 G HA2 0.542 4.503 3.960 0.001 0.000 0.222 369 G HA3 0.542 4.503 3.960 0.001 0.000 0.222 369 G C -0.891 173.953 174.900 -0.094 0.000 1.254 369 G CA 0.441 45.226 45.100 -0.525 0.000 0.959 369 G HN 1.859 nan 8.290 nan 0.000 0.474 370 G N -1.844 107.022 108.800 0.109 0.000 2.404 370 G HA2 0.593 4.553 3.960 0.001 0.000 0.298 370 G HA3 0.593 4.553 3.960 0.001 0.000 0.298 370 G C -0.979 174.028 174.900 0.180 0.000 1.577 370 G CA 0.221 45.483 45.100 0.269 0.000 0.847 370 G HN 1.413 nan 8.290 nan 0.000 0.598 371 V N 0.587 120.538 119.914 0.062 0.000 2.673 371 V HA 0.470 4.590 4.120 0.001 0.000 0.303 371 V C 1.431 177.395 176.094 -0.217 0.000 1.046 371 V CA 1.048 63.311 62.300 -0.062 0.000 1.126 371 V CB 1.209 32.988 31.823 -0.073 0.000 0.934 371 V HN 1.137 nan 8.190 nan 0.000 0.487 372 G N 2.117 110.587 108.800 -0.550 0.000 2.389 372 G HA2 0.450 4.411 3.960 0.001 0.000 0.317 372 G HA3 0.450 4.411 3.960 0.001 0.000 0.317 372 G C 0.821 175.273 174.900 -0.748 0.000 1.137 372 G CA 0.267 44.675 45.100 -1.153 0.000 0.870 372 G HN 0.871 nan 8.290 nan 0.000 0.496 373 T N -0.735 113.567 114.554 -0.419 0.000 3.148 373 T HA -0.052 4.299 4.350 0.001 0.000 0.253 373 T C 1.696 176.270 174.700 -0.209 0.000 1.134 373 T CA 0.541 62.457 62.100 -0.307 0.000 1.051 373 T CB -0.183 68.677 68.868 -0.015 0.000 0.959 373 T HN 0.364 nan 8.240 nan 0.000 0.525 374 N N 2.263 120.847 118.700 -0.193 0.000 2.094 374 N HA -0.018 4.722 4.740 0.001 0.000 0.191 374 N C 2.120 177.508 175.510 -0.205 0.000 1.023 374 N CA 1.592 54.571 53.050 -0.118 0.000 0.857 374 N CB -0.918 37.505 38.487 -0.107 0.000 1.013 374 N HN 0.585 nan 8.380 nan 0.000 0.426 375 G N 0.454 109.027 108.800 -0.378 0.000 2.462 375 G HA2 -0.279 3.681 3.960 0.001 0.000 0.220 375 G HA3 -0.279 3.681 3.960 0.001 0.000 0.220 375 G C 1.279 175.542 174.900 -1.061 0.000 1.121 375 G CA 0.482 45.097 45.100 -0.808 0.000 0.758 375 G HN 0.381 nan 8.290 nan 0.000 0.559 376 Q N -0.429 118.745 119.800 -1.044 0.000 2.234 376 Q HA -0.094 4.247 4.340 0.001 0.000 0.206 376 Q C 1.390 177.014 176.000 -0.627 0.000 0.980 376 Q CA 1.008 56.229 55.803 -0.969 0.000 0.869 376 Q CB -0.078 28.256 28.738 -0.673 0.000 0.912 376 Q HN 0.640 nan 8.270 nan 0.000 0.436 377 H N -2.207 116.676 119.070 -0.313 0.000 2.505 377 H HA 0.403 4.960 4.556 0.001 0.000 0.286 377 H C 0.689 175.933 175.328 -0.139 0.000 1.072 377 H CA 0.510 56.456 56.048 -0.170 0.000 1.141 377 H CB 0.871 30.553 29.762 -0.133 0.000 1.550 377 H HN 0.248 nan 8.280 nan 0.000 0.547 378 A N 0.479 123.219 122.820 -0.134 0.000 1.878 378 A HA 0.135 4.455 4.320 0.001 0.000 0.201 378 A C 0.992 178.612 177.584 0.060 0.000 1.831 378 A CA 0.046 52.066 52.037 -0.028 0.000 1.050 378 A CB -0.121 18.891 19.000 0.019 0.000 1.063 378 A HN 0.205 nan 8.150 nan 0.000 0.588 379 F N -2.280 117.773 119.950 0.171 0.000 2.817 379 F HA 0.415 4.942 4.527 0.001 0.000 0.333 379 F C 1.337 177.290 175.800 0.255 0.000 1.085 379 F CA 0.086 58.209 58.000 0.206 0.000 1.170 379 F CB -0.540 38.614 39.000 0.256 0.000 1.066 379 F HN 0.273 nan 8.300 nan 0.000 0.564 380 H N 0.592 119.581 119.070 -0.136 0.000 2.456 380 H HA -0.168 4.389 4.556 0.001 0.000 0.296 380 H C 1.889 177.248 175.328 0.051 0.000 1.079 380 H CA 1.284 57.309 56.048 -0.040 0.000 1.322 380 H CB 0.153 29.869 29.762 -0.077 0.000 1.388 380 H HN 0.362 nan 8.280 nan 0.000 0.538 381 Q N 1.806 121.736 119.800 0.217 0.000 2.133 381 Q HA -0.193 4.148 4.340 0.001 0.000 0.208 381 Q C 2.295 178.397 176.000 0.169 0.000 0.991 381 Q CA 1.594 57.514 55.803 0.196 0.000 0.867 381 Q CB -0.530 28.288 28.738 0.134 0.000 0.911 381 Q HN 0.572 nan 8.270 nan 0.000 0.417 382 L N -0.858 120.462 121.223 0.161 0.000 2.109 382 L HA -0.034 4.306 4.340 0.001 0.000 0.207 382 L C 2.068 178.989 176.870 0.085 0.000 1.086 382 L CA 0.904 55.818 54.840 0.123 0.000 0.760 382 L CB -0.125 42.004 42.059 0.117 0.000 0.910 382 L HN 0.348 nan 8.230 nan 0.000 0.437 383 L N -0.934 120.317 121.223 0.046 0.000 2.131 383 L HA -0.221 4.120 4.340 0.001 0.000 0.210 383 L C 2.525 179.299 176.870 -0.160 0.000 1.092 383 L CA 0.832 55.603 54.840 -0.115 0.000 0.759 383 L CB -0.872 41.011 42.059 -0.294 0.000 0.903 383 L HN 0.425 nan 8.230 nan 0.000 0.435 384 H N -0.827 118.288 119.070 0.076 0.000 2.399 384 H HA 0.054 4.610 4.556 0.001 0.000 0.300 384 H C 1.538 176.906 175.328 0.065 0.000 1.048 384 H CA 0.979 57.066 56.048 0.067 0.000 1.370 384 H CB 0.377 30.185 29.762 0.077 0.000 1.428 384 H HN 0.412 nan 8.280 nan 0.000 0.534 385 Q N 0.072 119.983 119.800 0.186 0.000 2.164 385 Q HA 0.213 4.553 4.340 0.001 0.000 0.226 385 Q C 0.937 176.997 176.000 0.101 0.000 0.813 385 Q CA -0.217 55.667 55.803 0.134 0.000 0.978 385 Q CB 1.761 30.576 28.738 0.129 0.000 1.149 385 Q HN 0.207 nan 8.270 nan 0.000 0.489 386 G N 1.842 110.696 108.800 0.089 0.000 2.653 386 G HA2 0.057 4.017 3.960 0.001 0.000 0.265 386 G HA3 0.057 4.017 3.960 0.001 0.000 0.265 386 G C 0.200 175.141 174.900 0.068 0.000 1.237 386 G CA -0.280 44.861 45.100 0.070 0.000 0.946 386 G HN 0.349 nan 8.290 nan 0.000 0.522 387 N N -1.058 117.680 118.700 0.063 0.000 2.497 387 N HA 0.148 4.888 4.740 0.001 0.000 0.284 387 N C -0.611 174.949 175.510 0.083 0.000 1.459 387 N CA -0.417 52.678 53.050 0.075 0.000 0.899 387 N CB 0.539 39.067 38.487 0.068 0.000 1.316 387 N HN 0.166 nan 8.380 nan 0.000 0.500 388 I N 0.712 121.328 120.570 0.076 0.000 2.378 388 I HA 0.375 4.545 4.170 0.001 0.000 0.291 388 I C -0.420 175.761 176.117 0.107 0.000 0.992 388 I CA -1.177 60.177 61.300 0.090 0.000 1.154 388 I CB 0.646 38.675 38.000 0.048 0.000 1.315 388 I HN 0.024 nan 8.210 nan 0.000 0.448 389 F N 7.669 127.635 119.950 0.027 0.000 2.444 389 F HA 0.479 5.006 4.527 0.001 0.000 0.360 389 F C -0.151 175.628 175.800 -0.036 0.000 1.106 389 F CA -0.043 57.950 58.000 -0.012 0.000 1.170 389 F CB 0.338 39.351 39.000 0.021 0.000 1.113 389 F HN 0.265 nan 8.300 nan 0.000 0.521 390 I N 8.279 128.536 120.570 -0.522 0.000 2.497 390 I HA 0.274 4.444 4.170 0.001 0.000 0.284 390 I C -2.424 173.370 176.117 -0.539 0.000 1.060 390 I CA -2.051 59.076 61.300 -0.289 0.000 1.071 390 I CB 1.712 39.680 38.000 -0.053 0.000 1.216 390 I HN 0.416 nan 8.210 nan 0.000 0.442 391 P HA 0.159 nan 4.420 nan 0.000 0.269 391 P C -0.869 176.258 177.300 -0.288 0.000 1.209 391 P CA -0.159 62.684 63.100 -0.430 0.000 0.776 391 P CB 0.849 32.445 31.700 -0.173 0.000 0.876 392 V N 3.252 123.009 119.914 -0.262 0.000 2.531 392 V HA 0.302 4.422 4.120 0.001 0.000 0.301 392 V C -0.488 175.488 176.094 -0.198 0.000 1.034 392 V CA -0.473 61.637 62.300 -0.318 0.000 0.865 392 V CB 2.010 33.582 31.823 -0.419 0.000 0.995 392 V HN 0.419 nan 8.190 nan 0.000 0.424 393 D N 3.529 123.811 120.400 -0.197 0.000 2.217 393 D HA 0.564 5.205 4.640 0.001 0.000 0.243 393 D C -0.798 175.419 176.300 -0.139 0.000 1.054 393 D CA 0.052 54.042 54.000 -0.017 0.000 0.838 393 D CB 1.574 42.469 40.800 0.158 0.000 1.162 393 D HN 0.261 nan 8.370 nan 0.000 0.472 394 F N 1.566 121.574 119.950 0.098 0.000 2.421 394 F HA 0.470 4.997 4.527 0.001 0.000 0.337 394 F C 0.578 176.474 175.800 0.160 0.000 1.105 394 F CA -0.786 57.286 58.000 0.120 0.000 1.049 394 F CB 1.158 40.175 39.000 0.028 0.000 1.139 394 F HN 0.067 nan 8.300 nan 0.000 0.479 395 I N 3.274 124.061 120.570 0.361 0.000 2.362 395 I HA 0.584 4.755 4.170 0.001 0.000 0.289 395 I C -0.327 175.948 176.117 0.263 0.000 0.994 395 I CA -0.526 60.936 61.300 0.269 0.000 1.158 395 I CB 1.300 39.395 38.000 0.159 0.000 1.315 395 I HN 0.669 nan 8.210 nan 0.000 0.451 396 A N 7.761 130.717 122.820 0.226 0.000 2.355 396 A HA 0.856 5.176 4.320 0.001 0.000 0.324 396 A C -0.786 176.897 177.584 0.166 0.000 1.117 396 A CA -0.522 51.627 52.037 0.188 0.000 0.785 396 A CB 1.250 20.378 19.000 0.212 0.000 1.254 396 A HN 0.527 nan 8.150 nan 0.000 0.453 397 I N 2.118 122.767 120.570 0.132 0.000 2.410 397 I HA 0.339 4.509 4.170 0.001 0.000 0.286 397 I C 1.202 177.379 176.117 0.100 0.000 1.009 397 I CA -0.294 61.075 61.300 0.115 0.000 1.111 397 I CB 0.731 38.790 38.000 0.099 0.000 1.262 397 I HN 0.786 nan 8.210 nan 0.000 0.443 398 A N 5.085 127.969 122.820 0.107 0.000 1.898 398 A HA -0.003 4.317 4.320 0.001 0.000 0.216 398 A C 1.020 178.636 177.584 0.053 0.000 1.181 398 A CA 1.442 53.535 52.037 0.093 0.000 0.620 398 A CB -0.142 18.915 19.000 0.095 0.000 0.819 398 A HN 0.667 nan 8.150 nan 0.000 0.442 399 T N -1.015 113.565 114.554 0.043 0.000 2.841 399 T HA 0.520 4.871 4.350 0.001 0.000 0.283 399 T C -0.024 174.672 174.700 -0.007 0.000 1.000 399 T CA -0.125 61.977 62.100 0.003 0.000 0.977 399 T CB 1.746 70.617 68.868 0.006 0.000 0.979 399 T HN 0.259 nan 8.240 nan 0.000 0.446 400 S N 0.367 116.004 115.700 -0.105 0.000 2.521 400 S HA 0.296 4.766 4.470 0.001 0.000 0.278 400 S C 0.615 175.139 174.600 -0.127 0.000 1.140 400 S CA -0.250 57.878 58.200 -0.120 0.000 1.028 400 S CB 0.169 63.200 63.200 -0.282 0.000 1.203 400 S HN 0.979 nan 8.310 nan 0.000 0.491 401 H N -0.551 118.404 119.070 -0.191 0.000 2.512 401 H HA 0.519 5.075 4.556 0.001 0.000 0.276 401 H C -0.100 175.197 175.328 -0.052 0.000 1.126 401 H CA -0.301 55.686 56.048 -0.101 0.000 1.060 401 H CB -0.539 29.194 29.762 -0.050 0.000 1.646 401 H HN 0.631 nan 8.280 nan 0.000 0.571 402 H N -2.668 116.264 119.070 -0.231 0.000 2.942 402 H HA 0.463 5.019 4.556 0.001 0.000 0.316 402 H C -0.534 174.761 175.328 -0.054 0.000 1.323 402 H CA -1.471 54.486 56.048 -0.151 0.000 1.144 402 H CB 0.466 30.099 29.762 -0.215 0.000 1.866 402 H HN 0.009 nan 8.280 nan 0.000 0.545 403 N N -0.150 118.663 118.700 0.188 0.000 2.275 403 N HA 0.050 4.790 4.740 0.001 0.000 0.236 403 N C -0.908 174.638 175.510 0.061 0.000 1.154 403 N CA 0.071 53.155 53.050 0.056 0.000 0.866 403 N CB 0.192 38.648 38.487 -0.052 0.000 1.093 403 N HN 0.487 nan 8.380 nan 0.000 0.515 404 Y N 1.297 121.789 120.300 0.321 0.000 2.623 404 Y HA 0.077 4.627 4.550 0.001 0.000 0.341 404 Y C 1.132 177.170 175.900 0.231 0.000 1.292 404 Y CA -0.429 57.757 58.100 0.144 0.000 1.840 404 Y CB 0.105 38.432 38.460 -0.221 0.000 1.865 404 Y HN -0.075 nan 8.280 nan 0.000 0.440 405 D N 0.521 121.047 120.400 0.209 0.000 2.178 405 D HA -0.203 4.437 4.640 0.001 0.000 0.201 405 D C 1.834 178.226 176.300 0.154 0.000 0.980 405 D CA 1.199 55.285 54.000 0.143 0.000 0.842 405 D CB -0.031 40.805 40.800 0.060 0.000 0.948 405 D HN 0.577 nan 8.370 nan 0.000 0.472 406 N N 0.639 119.442 118.700 0.171 0.000 2.188 406 N HA -0.203 4.537 4.740 0.001 0.000 0.184 406 N C 1.567 177.144 175.510 0.111 0.000 1.018 406 N CA 1.156 54.274 53.050 0.113 0.000 0.858 406 N CB -0.968 37.566 38.487 0.078 0.000 0.989 406 N HN 0.411 nan 8.380 nan 0.000 0.426 407 H N -0.075 119.058 119.070 0.105 0.000 2.326 407 H HA -0.065 4.491 4.556 0.001 0.000 0.301 407 H C 1.894 177.269 175.328 0.078 0.000 1.081 407 H CA 1.676 57.765 56.048 0.068 0.000 1.334 407 H CB 0.197 29.976 29.762 0.028 0.000 1.385 407 H HN 0.317 nan 8.280 nan 0.000 0.504 408 Q N 1.278 121.239 119.800 0.268 0.000 2.084 408 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 408 Q C 2.347 178.386 176.000 0.064 0.000 0.978 408 Q CA 1.562 57.459 55.803 0.156 0.000 0.844 408 Q CB -0.110 28.701 28.738 0.122 0.000 0.898 408 Q HN 0.431 nan 8.270 nan 0.000 0.426 409 Q N -1.073 118.760 119.800 0.056 0.000 2.084 409 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 409 Q C 1.848 177.832 176.000 -0.025 0.000 0.978 409 Q CA 1.528 57.337 55.803 0.010 0.000 0.844 409 Q CB -0.274 28.477 28.738 0.021 0.000 0.898 409 Q HN 0.506 nan 8.270 nan 0.000 0.426 410 A N 0.606 123.419 122.820 -0.013 0.000 1.930 410 A HA -0.169 4.151 4.320 0.001 0.000 0.217 410 A C 1.963 179.527 177.584 -0.032 0.000 1.175 410 A CA 1.207 53.223 52.037 -0.034 0.000 0.627 410 A CB -0.698 18.271 19.000 -0.052 0.000 0.815 410 A HN 0.478 nan 8.150 nan 0.000 0.443 411 L N -0.188 121.037 121.223 0.003 0.000 2.012 411 L HA -0.140 4.201 4.340 0.001 0.000 0.210 411 L C 2.283 179.114 176.870 -0.066 0.000 1.073 411 L CA 1.831 56.696 54.840 0.041 0.000 0.748 411 L CB -0.509 41.601 42.059 0.084 0.000 0.891 411 L HN 0.402 nan 8.230 nan 0.000 0.431 412 L N -0.775 120.321 121.223 -0.211 0.000 2.056 412 L HA -0.139 4.202 4.340 0.001 0.000 0.207 412 L C 2.689 179.081 176.870 -0.796 0.000 1.078 412 L CA 1.135 55.615 54.840 -0.600 0.000 0.749 412 L CB -0.952 40.807 42.059 -0.500 0.000 0.901 412 L HN 0.365 nan 8.230 nan 0.000 0.433 413 A N 0.086 122.688 122.820 -0.363 0.000 1.940 413 A HA -0.231 4.089 4.320 0.001 0.000 0.219 413 A C 2.119 179.583 177.584 -0.200 0.000 1.176 413 A CA 1.931 53.840 52.037 -0.213 0.000 0.631 413 A CB -0.628 18.323 19.000 -0.081 0.000 0.814 413 A HN 0.469 nan 8.150 nan 0.000 0.446 414 N N -0.458 118.148 118.700 -0.158 0.000 2.106 414 N HA -0.166 4.574 4.740 0.001 0.000 0.188 414 N C 1.929 177.318 175.510 -0.202 0.000 1.029 414 N CA 1.498 54.507 53.050 -0.069 0.000 0.848 414 N CB -0.606 37.934 38.487 0.088 0.000 1.007 414 N HN 0.598 nan 8.380 nan 0.000 0.423 415 C N 1.032 120.030 119.300 -0.502 0.000 2.393 415 C HA -0.158 4.303 4.460 0.001 0.000 0.276 415 C C 2.569 177.151 174.990 -0.679 0.000 1.215 415 C CA 0.735 59.124 59.018 -1.048 0.000 1.743 415 C CB -1.541 25.515 27.740 -1.140 0.000 2.044 415 C HN 0.311 nan 8.230 nan 0.000 0.464 416 F N 1.873 121.554 119.950 -0.448 0.000 2.234 416 F HA 0.090 4.617 4.527 0.001 0.000 0.299 416 F C 2.610 178.191 175.800 -0.365 0.000 1.087 416 F CA 0.912 58.674 58.000 -0.396 0.000 1.340 416 F CB -1.714 37.139 39.000 -0.246 0.000 1.031 416 F HN 0.320 nan 8.300 nan 0.000 0.500 417 A N -0.309 122.439 122.820 -0.121 0.000 1.972 417 A HA -0.163 4.158 4.320 0.001 0.000 0.219 417 A C 2.226 179.734 177.584 -0.127 0.000 1.169 417 A CA 1.224 53.186 52.037 -0.125 0.000 0.635 417 A CB -0.488 18.464 19.000 -0.081 0.000 0.810 417 A HN 0.276 nan 8.150 nan 0.000 0.446 418 Q N 0.161 119.889 119.800 -0.121 0.000 2.123 418 Q HA -0.108 4.232 4.340 0.001 0.000 0.199 418 Q C 2.553 178.559 176.000 0.010 0.000 0.966 418 Q CA 1.806 57.658 55.803 0.082 0.000 0.845 418 Q CB -0.614 28.322 28.738 0.330 0.000 0.907 418 Q HN 0.831 nan 8.270 nan 0.000 0.439 419 S N 0.231 115.708 115.700 -0.371 0.000 2.383 419 S HA -0.184 4.286 4.470 0.001 0.000 0.227 419 S C 1.955 176.430 174.600 -0.209 0.000 1.026 419 S CA 1.148 59.206 58.200 -0.238 0.000 0.981 419 S CB -0.243 62.700 63.200 -0.428 0.000 0.818 419 S HN 0.324 nan 8.310 nan 0.000 0.472 420 Q N 1.126 120.731 119.800 -0.326 0.000 2.079 420 Q HA -0.025 4.315 4.340 0.001 0.000 0.200 420 Q C 2.341 178.052 176.000 -0.481 0.000 0.974 420 Q CA 1.326 56.788 55.803 -0.568 0.000 0.840 420 Q CB -0.524 27.835 28.738 -0.630 0.000 0.898 420 Q HN 0.743 nan 8.270 nan 0.000 0.430 421 A N 0.742 123.438 122.820 -0.206 0.000 1.902 421 A HA -0.055 4.265 4.320 0.001 0.000 0.217 421 A C 1.297 178.928 177.584 0.077 0.000 1.181 421 A CA 0.555 52.550 52.037 -0.070 0.000 0.623 421 A CB -0.597 18.336 19.000 -0.112 0.000 0.818 421 A HN 0.364 nan 8.150 nan 0.000 0.443 425 G N 1.640 110.585 108.800 0.241 0.000 2.633 425 G HA2 -0.176 3.784 3.960 0.001 0.000 0.263 425 G HA3 -0.176 3.784 3.960 0.001 0.000 0.263 425 G C -0.290 174.683 174.900 0.121 0.000 1.310 425 G CA 0.266 45.453 45.100 0.145 0.000 0.914 425 G HN 0.583 nan 8.290 nan 0.000 0.569 426 Q N -0.821 119.030 119.800 0.085 0.000 2.281 426 Q HA 0.528 4.869 4.340 0.001 0.000 0.263 426 Q C 0.166 176.207 176.000 0.068 0.000 0.989 426 Q CA -0.011 55.831 55.803 0.065 0.000 0.852 426 Q CB 1.508 30.273 28.738 0.044 0.000 1.337 426 Q HN 1.387 nan 8.270 nan 0.000 0.418 427 S N 1.968 117.709 115.700 0.069 0.000 2.645 427 S HA 0.152 4.623 4.470 0.001 0.000 0.266 427 S C 0.795 175.465 174.600 0.118 0.000 1.258 427 S CA -0.402 57.856 58.200 0.097 0.000 0.990 427 S CB 0.528 63.783 63.200 0.090 0.000 0.967 427 S HN 0.764 nan 8.310 nan 0.000 0.556 428 Y N 1.363 121.685 120.300 0.037 0.000 2.114 428 Y HA -0.160 4.391 4.550 0.001 0.000 0.282 428 Y C 1.254 177.198 175.900 0.072 0.000 1.165 428 Y CA 2.322 60.449 58.100 0.044 0.000 1.148 428 Y CB -0.533 37.932 38.460 0.008 0.000 0.972 428 Y HN 0.921 nan 8.280 nan 0.000 0.504 432 Y N 2.632 122.767 120.300 -0.275 0.000 2.128 432 Y HA -0.196 4.354 4.550 0.001 0.000 0.284 432 Y C 2.298 178.133 175.900 -0.108 0.000 1.154 432 Y CA 2.716 60.663 58.100 -0.255 0.000 1.149 432 Y CB -0.139 38.120 38.460 -0.335 0.000 0.976 432 Y HN 0.380 nan 8.280 nan 0.000 0.505 433 N N 0.596 119.303 118.700 0.012 0.000 2.120 433 N HA -0.170 4.571 4.740 0.001 0.000 0.188 433 N C 1.681 177.131 175.510 -0.101 0.000 1.024 433 N CA 1.793 54.816 53.050 -0.045 0.000 0.852 433 N CB -0.384 38.129 38.487 0.043 0.000 1.003 433 N HN 0.585 nan 8.380 nan 0.000 0.424 434 E N 0.525 120.680 120.200 -0.076 0.000 2.106 434 E HA -0.064 4.286 4.350 0.001 0.000 0.192 434 E C 2.027 178.565 176.600 -0.103 0.000 0.984 434 E CA 0.500 56.858 56.400 -0.071 0.000 0.806 434 E CB -0.063 29.610 29.700 -0.046 0.000 0.750 434 E HN 0.298 nan 8.360 nan 0.000 0.458 435 L N 0.648 121.782 121.223 -0.149 0.000 2.046 435 L HA -0.200 4.141 4.340 0.001 0.000 0.208 435 L C 2.451 179.209 176.870 -0.188 0.000 1.077 435 L CA 0.856 55.600 54.840 -0.161 0.000 0.747 435 L CB -0.393 41.555 42.059 -0.184 0.000 0.896 435 L HN 0.186 nan 8.230 nan 0.000 0.432 436 L N -0.302 120.753 121.223 -0.280 0.000 2.042 436 L HA -0.257 4.084 4.340 0.001 0.000 0.210 436 L C 2.530 179.323 176.870 -0.129 0.000 1.076 436 L CA 1.414 56.116 54.840 -0.229 0.000 0.749 436 L CB -0.466 41.427 42.059 -0.276 0.000 0.893 436 L HN 0.172 nan 8.230 nan 0.000 0.432 437 K N -0.045 120.291 120.400 -0.106 0.000 2.283 437 K HA -0.104 4.216 4.320 0.001 0.000 0.202 437 K C 2.179 178.745 176.600 -0.057 0.000 1.048 437 K CA 1.242 57.490 56.287 -0.066 0.000 0.948 437 K CB -0.160 32.310 32.500 -0.050 0.000 0.742 437 K HN 0.335 nan 8.250 nan 0.000 0.458 438 S N -1.243 114.417 115.700 -0.066 0.000 2.561 438 S HA 0.066 4.536 4.470 0.001 0.000 0.225 438 S C 1.434 176.005 174.600 -0.048 0.000 0.977 438 S CA 0.650 58.819 58.200 -0.052 0.000 0.926 438 S CB 0.137 63.305 63.200 -0.053 0.000 0.769 438 S HN 0.388 nan 8.310 nan 0.000 0.533 439 G N 0.331 109.098 108.800 -0.056 0.000 2.184 439 G HA2 -0.158 3.802 3.960 0.001 0.000 0.206 439 G HA3 -0.158 3.802 3.960 0.001 0.000 0.206 439 G C -0.085 174.784 174.900 -0.051 0.000 0.995 439 G CA -0.062 45.010 45.100 -0.047 0.000 0.651 439 G HN 0.483 nan 8.290 nan 0.000 0.511 440 L N 1.551 122.733 121.223 -0.069 0.000 2.439 440 L HA 0.334 4.675 4.340 0.001 0.000 0.269 440 L C 1.118 177.944 176.870 -0.074 0.000 1.179 440 L CA -0.422 54.378 54.840 -0.066 0.000 0.828 440 L CB 0.437 42.448 42.059 -0.080 0.000 1.106 440 L HN 0.537 nan 8.230 nan 0.000 0.467 441 N N 0.376 119.049 118.700 -0.045 0.000 2.379 441 N HA -0.011 4.730 4.740 0.001 0.000 0.260 441 N C 0.551 176.043 175.510 -0.030 0.000 1.254 441 N CA -0.497 52.534 53.050 -0.032 0.000 0.958 441 N CB 0.401 38.884 38.487 -0.006 0.000 1.208 441 N HN 0.613 nan 8.380 nan 0.000 0.532 442 E N -0.710 119.496 120.200 0.009 0.000 2.070 442 E HA -0.237 4.114 4.350 0.001 0.000 0.197 442 E C 0.983 177.662 176.600 0.131 0.000 1.004 442 E CA 2.050 58.503 56.400 0.088 0.000 0.805 442 E CB -0.275 29.503 29.700 0.131 0.000 0.744 442 E HN 0.747 nan 8.360 nan 0.000 0.451 443 T N 0.897 115.504 114.554 0.088 0.000 2.708 443 T HA -0.186 4.164 4.350 0.001 0.000 0.266 443 T C 1.883 176.635 174.700 0.087 0.000 1.037 443 T CA 1.556 63.709 62.100 0.089 0.000 1.146 443 T CB -0.228 68.675 68.868 0.059 0.000 0.865 443 T HN 0.282 nan 8.240 nan 0.000 0.435 444 Q N 0.593 120.423 119.800 0.051 0.000 2.084 444 Q HA 0.010 4.351 4.340 0.001 0.000 0.202 444 Q C 2.752 178.777 176.000 0.043 0.000 0.978 444 Q CA 1.386 57.210 55.803 0.035 0.000 0.844 444 Q CB -0.320 28.421 28.738 0.004 0.000 0.898 444 Q HN 0.560 nan 8.270 nan 0.000 0.426 445 A N 1.363 124.195 122.820 0.020 0.000 1.898 445 A HA -0.210 4.111 4.320 0.001 0.000 0.216 445 A C 1.995 179.694 177.584 0.193 0.000 1.181 445 A CA 1.545 53.573 52.037 -0.015 0.000 0.620 445 A CB -0.389 18.422 19.000 -0.315 0.000 0.819 445 A HN 0.189 nan 8.150 nan 0.000 0.442 446 K N 0.234 120.833 120.400 0.331 0.000 2.103 446 K HA -0.225 4.096 4.320 0.001 0.000 0.207 446 K C 2.041 178.790 176.600 0.248 0.000 1.048 446 K CA 1.792 58.289 56.287 0.351 0.000 0.930 446 K CB -0.156 32.511 32.500 0.278 0.000 0.716 446 K HN 0.800 nan 8.250 nan 0.000 0.444 447 E N 0.032 120.341 120.200 0.181 0.000 2.152 447 E HA -0.180 4.170 4.350 0.001 0.000 0.192 447 E C 1.945 178.678 176.600 0.221 0.000 0.983 447 E CA 0.784 57.287 56.400 0.170 0.000 0.818 447 E CB -0.114 29.654 29.700 0.114 0.000 0.758 447 E HN 0.207 nan 8.360 nan 0.000 0.467 448 L N 0.950 122.278 121.223 0.175 0.000 2.298 448 L HA 0.287 4.627 4.340 0.001 0.000 0.209 448 L C 2.352 179.335 176.870 0.189 0.000 1.084 448 L CA 1.445 56.395 54.840 0.183 0.000 0.816 448 L CB -0.320 41.782 42.059 0.072 0.000 0.967 448 L HN 0.179 nan 8.230 nan 0.000 0.460 449 A N 0.091 122.965 122.820 0.090 0.000 1.917 449 A HA -0.196 4.124 4.320 0.001 0.000 0.219 449 A C 2.438 180.029 177.584 0.011 0.000 1.182 449 A CA 1.970 53.965 52.037 -0.070 0.000 0.633 449 A CB -1.213 17.515 19.000 -0.452 0.000 0.819 449 A HN 0.533 nan 8.150 nan 0.000 0.448 450 A N -1.286 121.621 122.820 0.145 0.000 2.024 450 A HA -0.212 4.109 4.320 0.001 0.000 0.220 450 A C 1.904 179.448 177.584 -0.067 0.000 1.164 450 A CA 1.545 53.640 52.037 0.097 0.000 0.643 450 A CB -0.927 18.080 19.000 0.012 0.000 0.806 450 A HN 0.722 nan 8.150 nan 0.000 0.451 451 H N -0.482 118.639 119.070 0.085 0.000 2.529 451 H HA 0.047 4.604 4.556 0.001 0.000 0.277 451 H C 1.152 176.510 175.328 0.050 0.000 0.999 451 H CA 1.308 57.393 56.048 0.063 0.000 1.256 451 H CB 0.155 29.946 29.762 0.049 0.000 1.402 451 H HN 0.568 nan 8.280 nan 0.000 0.566 452 K N 0.687 121.160 120.400 0.122 0.000 2.358 452 K HA 0.150 4.470 4.320 0.001 0.000 0.197 452 K C 0.376 177.009 176.600 0.055 0.000 1.025 452 K CA -0.078 56.253 56.287 0.074 0.000 1.104 452 K CB 1.205 33.729 32.500 0.041 0.000 0.855 452 K HN -0.113 nan 8.250 nan 0.000 0.531 453 V N 2.696 122.649 119.914 0.065 0.000 2.585 453 V HA 0.036 4.157 4.120 0.001 0.000 0.296 453 V C 0.214 176.353 176.094 0.076 0.000 1.035 453 V CA 0.361 62.706 62.300 0.075 0.000 1.084 453 V CB 0.500 32.386 31.823 0.106 0.000 0.953 453 V HN 0.157 nan 8.190 nan 0.000 0.483 454 I N 7.772 128.387 120.570 0.076 0.000 2.382 454 I HA 0.304 4.474 4.170 0.001 0.000 0.285 454 I C -1.327 174.850 176.117 0.100 0.000 1.007 454 I CA -1.749 59.603 61.300 0.087 0.000 1.142 454 I CB 2.356 40.392 38.000 0.061 0.000 1.289 454 I HN 0.478 nan 8.210 nan 0.000 0.453 455 P HA -0.071 nan 4.420 nan 0.000 0.217 455 P C 0.874 178.246 177.300 0.119 0.000 1.150 455 P CA 1.231 64.395 63.100 0.108 0.000 0.832 455 P CB 0.322 32.086 31.700 0.107 0.000 0.787 456 G N 0.301 109.181 108.800 0.133 0.000 2.697 456 G HA2 -0.307 3.654 3.960 0.001 0.000 0.240 456 G HA3 -0.307 3.654 3.960 0.001 0.000 0.240 456 G C 0.104 175.089 174.900 0.142 0.000 1.346 456 G CA 0.188 45.377 45.100 0.148 0.000 0.887 456 G HN 0.422 nan 8.290 nan 0.000 0.569 457 N N -1.246 117.549 118.700 0.158 0.000 2.741 457 N HA -0.183 4.557 4.740 0.001 0.000 0.250 457 N C 0.305 175.899 175.510 0.139 0.000 1.115 457 N CA 1.976 55.123 53.050 0.163 0.000 0.724 457 N CB -0.642 37.947 38.487 0.169 0.000 1.090 457 N HN 0.852 nan 8.380 nan 0.000 0.558 458 R N 0.457 121.009 120.500 0.087 0.000 2.346 458 R HA 0.452 4.793 4.340 0.001 0.000 0.311 458 R C -2.187 174.089 176.300 -0.039 0.000 0.983 458 R CA -1.523 54.563 56.100 -0.024 0.000 0.880 458 R CB 1.274 31.535 30.300 -0.065 0.000 1.100 458 R HN 0.153 nan 8.270 nan 0.000 0.453 459 P HA 0.121 nan 4.420 nan 0.000 0.276 459 P C -0.934 176.335 177.300 -0.051 0.000 1.244 459 P CA -0.344 62.724 63.100 -0.053 0.000 0.801 459 P CB 1.533 33.166 31.700 -0.111 0.000 1.006 460 S N -0.245 115.492 115.700 0.063 0.000 2.588 460 S HA 0.591 5.061 4.470 0.001 0.000 0.269 460 S C -0.947 173.734 174.600 0.135 0.000 1.157 460 S CA -0.648 57.621 58.200 0.115 0.000 0.824 460 S CB 1.158 64.526 63.200 0.281 0.000 1.126 460 S HN 0.352 nan 8.310 nan 0.000 0.464 461 T N 1.992 116.632 114.554 0.143 0.000 2.829 461 T HA 0.715 5.066 4.350 0.001 0.000 0.280 461 T C -0.913 173.875 174.700 0.146 0.000 0.999 461 T CA -0.462 61.679 62.100 0.068 0.000 0.983 461 T CB 1.677 70.568 68.868 0.038 0.000 0.968 461 T HN 0.718 nan 8.240 nan 0.000 0.446 462 T N 3.417 117.993 114.554 0.036 0.000 2.786 462 T HA 0.535 4.885 4.350 0.001 0.000 0.283 462 T C -0.084 174.652 174.700 0.061 0.000 0.992 462 T CA -0.503 61.666 62.100 0.114 0.000 0.954 462 T CB 0.394 69.295 68.868 0.056 0.000 0.934 462 T HN 0.424 nan 8.240 nan 0.000 0.440 463 I N 4.154 124.841 120.570 0.194 0.000 2.312 463 I HA 0.378 4.548 4.170 0.001 0.000 0.290 463 I C -0.691 175.571 176.117 0.241 0.000 1.008 463 I CA -0.882 60.562 61.300 0.240 0.000 1.226 463 I CB 1.233 39.428 38.000 0.326 0.000 1.371 463 I HN 0.302 nan 8.210 nan 0.000 0.468 464 L N 8.220 129.596 121.223 0.255 0.000 2.280 464 L HA 0.530 4.870 4.340 0.001 0.000 0.287 464 L C -0.927 176.088 176.870 0.242 0.000 1.023 464 L CA -0.309 54.695 54.840 0.273 0.000 0.819 464 L CB 1.065 43.329 42.059 0.342 0.000 1.212 464 L HN 0.358 nan 8.230 nan 0.000 0.420 465 L N 4.271 125.609 121.223 0.191 0.000 2.343 465 L HA 0.397 4.737 4.340 0.001 0.000 0.275 465 L C 1.233 178.186 176.870 0.138 0.000 1.056 465 L CA -0.053 54.882 54.840 0.158 0.000 0.804 465 L CB 1.202 43.338 42.059 0.130 0.000 1.203 465 L HN 0.744 nan 8.230 nan 0.000 0.440 466 D N 0.702 121.173 120.400 0.118 0.000 2.144 466 D HA -0.121 4.519 4.640 0.001 0.000 0.200 466 D C 0.110 176.463 176.300 0.087 0.000 0.978 466 D CA 1.068 55.123 54.000 0.092 0.000 0.833 466 D CB 0.243 41.085 40.800 0.070 0.000 0.961 466 D HN 0.714 nan 8.370 nan 0.000 0.470 467 E N -1.584 118.674 120.200 0.098 0.000 2.437 467 E HA 0.420 4.770 4.350 0.001 0.000 0.280 467 E C -1.514 175.153 176.600 0.112 0.000 1.044 467 E CA -1.089 55.373 56.400 0.104 0.000 0.826 467 E CB 1.080 30.846 29.700 0.109 0.000 1.358 467 E HN -0.003 nan 8.360 nan 0.000 0.459 468 L N 2.482 123.780 121.223 0.126 0.000 2.360 468 L HA 0.381 4.721 4.340 0.001 0.000 0.265 468 L C -0.906 176.044 176.870 0.133 0.000 1.066 468 L CA 0.030 54.934 54.840 0.107 0.000 0.929 468 L CB 0.494 42.606 42.059 0.087 0.000 1.306 468 L HN 0.687 nan 8.230 nan 0.000 0.434 469 S N 2.874 118.609 115.700 0.057 0.000 2.704 469 S HA 0.698 5.168 4.470 0.001 0.000 0.305 469 S C -2.084 172.389 174.600 -0.211 0.000 1.107 469 S CA -1.367 56.756 58.200 -0.129 0.000 0.993 469 S CB 1.334 64.530 63.200 -0.007 0.000 1.110 469 S HN 0.290 nan 8.310 nan 0.000 0.534 470 P HA -0.135 nan 4.420 nan 0.000 0.215 470 P C 1.058 178.342 177.300 -0.028 0.000 1.157 470 P CA 1.299 64.273 63.100 -0.210 0.000 0.874 470 P CB -0.184 31.372 31.700 -0.239 0.000 0.790 471 Y N 0.736 120.979 120.300 -0.094 0.000 2.145 471 Y HA -0.231 4.319 4.550 0.001 0.000 0.286 471 Y C 2.557 178.471 175.900 0.023 0.000 1.145 471 Y CA 2.291 60.382 58.100 -0.015 0.000 1.148 471 Y CB -0.665 37.791 38.460 -0.005 0.000 0.981 471 Y HN -0.002 nan 8.280 nan 0.000 0.507 472 S N -0.230 115.605 115.700 0.225 0.000 2.402 472 S HA -0.190 4.280 4.470 0.001 0.000 0.229 472 S C 1.936 176.580 174.600 0.073 0.000 1.021 472 S CA 1.184 59.480 58.200 0.160 0.000 0.974 472 S CB -0.961 62.335 63.200 0.161 0.000 0.800 472 S HN 0.461 nan 8.310 nan 0.000 0.484 473 L N 2.653 123.899 121.223 0.038 0.000 2.056 473 L HA 0.219 4.559 4.340 0.001 0.000 0.207 473 L C 2.447 179.365 176.870 0.081 0.000 1.078 473 L CA 1.981 56.836 54.840 0.025 0.000 0.749 473 L CB -1.388 40.661 42.059 -0.017 0.000 0.901 473 L HN 0.368 nan 8.230 nan 0.000 0.433 474 G N -0.968 107.875 108.800 0.072 0.000 2.440 474 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 474 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 474 G C 1.605 176.578 174.900 0.122 0.000 1.154 474 G CA 0.868 46.087 45.100 0.197 0.000 0.767 474 G HN 0.647 nan 8.290 nan 0.000 0.552 475 A N 0.509 123.321 122.820 -0.013 0.000 1.877 475 A HA 0.028 4.348 4.320 0.001 0.000 0.216 475 A C 2.371 180.010 177.584 0.091 0.000 1.186 475 A CA 1.753 53.789 52.037 -0.002 0.000 0.620 475 A CB -0.540 18.472 19.000 0.019 0.000 0.822 475 A HN 0.464 nan 8.150 nan 0.000 0.443 476 L N 0.119 121.428 121.223 0.144 0.000 2.012 476 L HA -0.167 4.174 4.340 0.001 0.000 0.210 476 L C 2.266 179.374 176.870 0.397 0.000 1.073 476 L CA 2.008 56.989 54.840 0.236 0.000 0.748 476 L CB -0.485 41.670 42.059 0.160 0.000 0.891 476 L HN 0.458 nan 8.230 nan 0.000 0.431 477 I N -0.417 120.388 120.570 0.392 0.000 2.226 477 I HA -0.294 3.877 4.170 0.001 0.000 0.245 477 I C 2.607 178.949 176.117 0.375 0.000 1.100 477 I CA 1.248 62.831 61.300 0.472 0.000 1.374 477 I CB -0.766 37.461 38.000 0.379 0.000 1.057 477 I HN 0.361 nan 8.210 nan 0.000 0.413 478 A N 0.925 123.873 122.820 0.213 0.000 1.933 478 A HA -0.157 4.163 4.320 0.001 0.000 0.218 478 A C 2.329 179.830 177.584 -0.139 0.000 1.175 478 A CA 1.378 53.374 52.037 -0.069 0.000 0.628 478 A CB -0.848 18.037 19.000 -0.192 0.000 0.814 478 A HN 0.386 nan 8.150 nan 0.000 0.444 479 L N -2.189 119.020 121.223 -0.022 0.000 2.012 479 L HA -0.252 4.089 4.340 0.001 0.000 0.210 479 L C 2.585 179.350 176.870 -0.175 0.000 1.073 479 L CA 1.736 56.500 54.840 -0.128 0.000 0.748 479 L CB -0.654 41.304 42.059 -0.168 0.000 0.891 479 L HN 0.489 nan 8.230 nan 0.000 0.431 480 Y N 0.010 120.336 120.300 0.043 0.000 2.263 480 Y HA -0.193 4.357 4.550 0.001 0.000 0.292 480 Y C 2.584 178.501 175.900 0.028 0.000 1.130 480 Y CA 1.072 59.202 58.100 0.051 0.000 1.179 480 Y CB -0.246 38.277 38.460 0.105 0.000 0.998 480 Y HN 0.191 nan 8.280 nan 0.000 0.532 481 E N -0.719 119.572 120.200 0.151 0.000 2.070 481 E HA -0.246 4.104 4.350 0.001 0.000 0.197 481 E C 1.837 178.445 176.600 0.012 0.000 1.004 481 E CA 1.552 58.022 56.400 0.117 0.000 0.805 481 E CB -0.216 29.499 29.700 0.024 0.000 0.744 481 E HN 0.591 nan 8.360 nan 0.000 0.451 482 H N 0.412 119.421 119.070 -0.101 0.000 2.403 482 H HA -0.007 4.549 4.556 0.001 0.000 0.298 482 H C 2.010 177.172 175.328 -0.276 0.000 1.059 482 H CA 0.967 56.787 56.048 -0.380 0.000 1.363 482 H CB -0.145 28.958 29.762 -1.098 0.000 1.410 482 H HN 0.106 nan 8.280 nan 0.000 0.528 483 K N 1.172 121.501 120.400 -0.118 0.000 2.044 483 K HA -0.153 4.167 4.320 0.001 0.000 0.210 483 K C 2.089 178.652 176.600 -0.063 0.000 1.049 483 K CA 1.569 57.779 56.287 -0.128 0.000 0.927 483 K CB -0.212 32.201 32.500 -0.144 0.000 0.713 483 K HN 0.151 nan 8.250 nan 0.000 0.443 484 I N 0.521 121.118 120.570 0.045 0.000 2.226 484 I HA -0.254 3.916 4.170 0.001 0.000 0.245 484 I C 2.324 178.505 176.117 0.106 0.000 1.100 484 I CA 0.965 62.312 61.300 0.079 0.000 1.374 484 I CB -0.344 37.747 38.000 0.152 0.000 1.057 484 I HN 0.188 nan 8.210 nan 0.000 0.413 485 F N 1.502 121.475 119.950 0.040 0.000 2.069 485 F HA -0.210 4.318 4.527 0.001 0.000 0.298 485 F C 2.346 178.149 175.800 0.005 0.000 1.113 485 F CA 1.639 59.700 58.000 0.102 0.000 1.214 485 F CB -0.767 38.356 39.000 0.206 0.000 0.978 485 F HN -0.199 nan 8.300 nan 0.000 0.474 486 V N 0.800 120.572 119.914 -0.236 0.000 2.287 486 V HA -0.345 3.776 4.120 0.001 0.000 0.248 486 V C 2.447 178.244 176.094 -0.496 0.000 1.053 486 V CA 2.332 64.373 62.300 -0.432 0.000 1.027 486 V CB -0.955 30.684 31.823 -0.306 0.000 0.646 486 V HN 0.419 nan 8.190 nan 0.000 0.447 487 Q N -0.000 119.511 119.800 -0.481 0.000 2.096 487 Q HA -0.164 4.176 4.340 0.001 0.000 0.204 487 Q C 2.411 178.012 176.000 -0.664 0.000 0.982 487 Q CA 1.756 57.080 55.803 -0.799 0.000 0.850 487 Q CB -0.575 27.684 28.738 -0.797 0.000 0.901 487 Q HN 0.733 nan 8.270 nan 0.000 0.422 488 G N 0.202 108.857 108.800 -0.243 0.000 2.422 488 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 488 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 488 G C 1.515 176.392 174.900 -0.040 0.000 1.146 488 G CA 0.778 45.881 45.100 0.005 0.000 0.769 488 G HN 0.196 nan 8.290 nan 0.000 0.547 489 V N 0.970 120.758 119.914 -0.209 0.000 2.295 489 V HA -0.133 3.988 4.120 0.001 0.000 0.246 489 V C 2.914 178.903 176.094 -0.175 0.000 1.049 489 V CA 1.525 63.703 62.300 -0.203 0.000 1.024 489 V CB -0.437 31.150 31.823 -0.393 0.000 0.648 489 V HN 0.351 nan 8.190 nan 0.000 0.447 490 L N -1.569 119.448 121.223 -0.343 0.000 2.131 490 L HA -0.168 4.172 4.340 0.001 0.000 0.210 490 L C 2.273 179.053 176.870 -0.150 0.000 1.092 490 L CA 1.361 55.985 54.840 -0.359 0.000 0.759 490 L CB -0.465 41.139 42.059 -0.759 0.000 0.903 490 L HN 0.447 nan 8.230 nan 0.000 0.435 491 W N -0.365 120.872 121.300 -0.104 0.000 3.256 491 W HA 0.045 4.706 4.660 0.001 0.000 0.269 491 W C 0.791 177.404 176.519 0.156 0.000 1.310 491 W CA 0.107 57.474 57.345 0.037 0.000 1.673 491 W CB -0.756 28.776 29.460 0.119 0.000 1.115 491 W HN 0.284 nan 8.180 nan 0.000 0.686 492 D N 0.698 121.255 120.400 0.261 0.000 2.772 492 D HA -0.215 4.425 4.640 0.001 0.000 0.233 492 D C 0.011 176.439 176.300 0.212 0.000 1.143 492 D CA 0.903 55.029 54.000 0.210 0.000 0.700 492 D CB -1.319 39.610 40.800 0.214 0.000 1.076 492 D HN 0.316 nan 8.370 nan 0.000 0.430 493 I N -4.014 116.687 120.570 0.220 0.000 2.947 493 I HA 0.565 4.736 4.170 0.001 0.000 0.314 493 I C 0.301 176.504 176.117 0.144 0.000 1.028 493 I CA -1.151 60.254 61.300 0.174 0.000 1.077 493 I CB 1.458 39.568 38.000 0.184 0.000 1.274 493 I HN -0.108 nan 8.210 nan 0.000 0.485 494 N N 1.811 120.584 118.700 0.122 0.000 2.462 494 N HA 0.250 4.990 4.740 0.001 0.000 0.242 494 N C 0.049 175.565 175.510 0.010 0.000 1.010 494 N CA -0.166 52.955 53.050 0.118 0.000 0.939 494 N CB 1.026 39.603 38.487 0.150 0.000 1.127 494 N HN 0.639 nan 8.380 nan 0.000 0.509 495 S N 2.609 118.211 115.700 -0.163 0.000 2.555 495 S HA -0.008 4.462 4.470 0.001 0.000 0.230 495 S C 0.285 174.509 174.600 -0.626 0.000 0.978 495 S CA 0.534 58.461 58.200 -0.456 0.000 0.934 495 S CB -0.183 62.608 63.200 -0.683 0.000 0.766 495 S HN 0.636 nan 8.310 nan 0.000 0.533 496 Y N 1.247 121.628 120.300 0.133 0.000 2.481 496 Y HA 0.249 4.799 4.550 0.001 0.000 0.247 496 Y C 0.484 176.403 175.900 0.032 0.000 1.151 496 Y CA -1.380 56.788 58.100 0.114 0.000 1.238 496 Y CB 0.011 38.531 38.460 0.100 0.000 1.179 496 Y HN 0.245 nan 8.280 nan 0.000 0.524 497 D N -0.370 120.047 120.400 0.029 0.000 2.487 497 D HA 0.321 4.961 4.640 0.001 0.000 0.262 497 D C 0.009 176.184 176.300 -0.208 0.000 1.130 497 D CA -0.762 53.136 54.000 -0.169 0.000 1.038 497 D CB 0.773 41.459 40.800 -0.190 0.000 1.142 497 D HN 0.025 nan 8.370 nan 0.000 0.575 498 Q N -0.477 119.077 119.800 -0.409 0.000 3.693 498 Q HA 0.102 4.443 4.340 0.001 0.000 0.226 498 Q C -0.818 175.054 176.000 -0.214 0.000 0.757 498 Q CA -0.533 55.134 55.803 -0.226 0.000 0.891 498 Q CB -1.347 27.296 28.738 -0.158 0.000 1.561 498 Q HN 0.759 nan 8.270 nan 0.000 0.390 499 W N 0.868 122.173 121.300 0.008 0.000 2.525 499 W HA 0.116 4.776 4.660 0.001 0.000 0.259 499 W C 1.969 178.487 176.519 -0.003 0.000 1.253 499 W CA 1.027 58.376 57.345 0.005 0.000 1.262 499 W CB 0.213 29.676 29.460 0.005 0.000 1.122 499 W HN 0.608 nan 8.180 nan 0.000 0.607 500 G N 0.478 109.383 108.800 0.175 0.000 2.509 500 G HA2 -0.201 3.760 3.960 0.001 0.000 0.218 500 G HA3 -0.201 3.760 3.960 0.001 0.000 0.218 500 G C 1.381 176.319 174.900 0.064 0.000 1.124 500 G CA 1.318 46.478 45.100 0.100 0.000 0.776 500 G HN 0.297 nan 8.290 nan 0.000 0.547 501 V N -2.696 117.246 119.914 0.048 0.000 3.406 501 V HA 0.167 4.287 4.120 0.001 0.000 0.263 501 V C 2.026 178.144 176.094 0.040 0.000 1.172 501 V CA 1.093 63.406 62.300 0.022 0.000 1.140 501 V CB 0.137 31.953 31.823 -0.011 0.000 0.784 501 V HN 0.111 nan 8.190 nan 0.000 0.467 502 E N 0.787 121.038 120.200 0.084 0.000 2.152 502 E HA -0.089 4.261 4.350 0.001 0.000 0.192 502 E C 2.000 178.639 176.600 0.065 0.000 0.983 502 E CA 1.366 57.821 56.400 0.092 0.000 0.818 502 E CB -0.216 29.585 29.700 0.168 0.000 0.758 502 E HN 0.613 nan 8.360 nan 0.000 0.467 503 L N 0.848 122.106 121.223 0.057 0.000 2.017 503 L HA -0.048 4.293 4.340 0.001 0.000 0.208 503 L C 2.165 179.048 176.870 0.022 0.000 1.073 503 L CA 2.360 57.221 54.840 0.035 0.000 0.745 503 L CB -0.997 41.078 42.059 0.027 0.000 0.894 503 L HN 0.119 nan 8.230 nan 0.000 0.432 504 G N -0.928 107.882 108.800 0.017 0.000 2.448 504 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 504 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 504 G C 1.649 176.554 174.900 0.008 0.000 1.127 504 G CA 0.874 45.978 45.100 0.007 0.000 0.766 504 G HN 0.451 nan 8.290 nan 0.000 0.552 505 K N 0.167 120.575 120.400 0.014 0.000 2.057 505 K HA -0.009 4.312 4.320 0.001 0.000 0.206 505 K C 2.394 179.003 176.600 0.016 0.000 1.050 505 K CA 1.210 57.505 56.287 0.014 0.000 0.935 505 K CB -0.117 32.394 32.500 0.019 0.000 0.715 505 K HN 0.260 nan 8.250 nan 0.000 0.439 506 K N 1.423 121.836 120.400 0.022 0.000 2.026 506 K HA -0.107 4.214 4.320 0.001 0.000 0.208 506 K C 2.015 178.623 176.600 0.013 0.000 1.048 506 K CA 1.101 57.400 56.287 0.020 0.000 0.929 506 K CB -0.035 32.480 32.500 0.024 0.000 0.713 506 K HN 0.043 nan 8.250 nan 0.000 0.439 507 L N 0.072 121.301 121.223 0.009 0.000 2.141 507 L HA -0.070 4.270 4.340 0.001 0.000 0.209 507 L C 2.555 179.427 176.870 0.003 0.000 1.094 507 L CA 1.144 55.986 54.840 0.003 0.000 0.763 507 L CB -0.691 41.367 42.059 -0.002 0.000 0.908 507 L HN 0.443 nan 8.230 nan 0.000 0.437 508 G N 0.302 109.104 108.800 0.004 0.000 2.418 508 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 508 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 508 G C 1.698 176.602 174.900 0.007 0.000 1.158 508 G CA 0.449 45.551 45.100 0.003 0.000 0.771 508 G HN 0.307 nan 8.290 nan 0.000 0.545 509 K N 0.345 120.752 120.400 0.010 0.000 2.097 509 K HA -0.062 4.258 4.320 0.001 0.000 0.206 509 K C 2.341 178.951 176.600 0.016 0.000 1.049 509 K CA 1.143 57.439 56.287 0.014 0.000 0.933 509 K CB -0.111 32.398 32.500 0.016 0.000 0.717 509 K HN 0.138 nan 8.250 nan 0.000 0.442 510 N N 1.133 119.842 118.700 0.015 0.000 2.142 510 N HA -0.090 4.651 4.740 0.001 0.000 0.186 510 N C 1.812 177.335 175.510 0.021 0.000 1.023 510 N CA 1.065 54.126 53.050 0.017 0.000 0.852 510 N CB -0.151 38.342 38.487 0.011 0.000 0.998 510 N HN 0.157 nan 8.380 nan 0.000 0.424 511 I N 0.238 120.816 120.570 0.014 0.000 2.315 511 I HA -0.194 3.976 4.170 0.001 0.000 0.248 511 I C 2.025 178.160 176.117 0.029 0.000 1.117 511 I CA 0.465 61.774 61.300 0.015 0.000 1.404 511 I CB -0.054 37.948 38.000 0.002 0.000 1.071 511 I HN 0.044 nan 8.210 nan 0.000 0.419 512 L N 1.079 122.316 121.223 0.023 0.000 2.093 512 L HA -0.209 4.131 4.340 0.001 0.000 0.208 512 L C 2.436 179.326 176.870 0.033 0.000 1.085 512 L CA 1.850 56.705 54.840 0.025 0.000 0.755 512 L CB -0.537 41.532 42.059 0.016 0.000 0.904 512 L HN 0.073 nan 8.230 nan 0.000 0.435 513 K N -0.213 120.208 120.400 0.035 0.000 2.057 513 K HA -0.039 4.282 4.320 0.001 0.000 0.207 513 K C 1.145 177.783 176.600 0.064 0.000 1.049 513 K CA 0.893 57.205 56.287 0.041 0.000 0.931 513 K CB -0.244 32.278 32.500 0.036 0.000 0.714 513 K HN 0.404 nan 8.250 nan 0.000 0.440 517 D N 1.201 121.595 120.400 -0.011 0.000 2.312 517 D HA 0.087 4.727 4.640 0.001 0.000 0.229 517 D C -0.316 175.914 176.300 -0.116 0.000 1.337 517 D CA -0.262 53.707 54.000 -0.051 0.000 0.964 517 D CB 0.638 41.426 40.800 -0.019 0.000 1.456 517 D HN 0.013 nan 8.370 nan 0.000 0.547 518 D N 0.756 120.979 120.400 -0.295 0.000 2.363 518 D HA -0.088 4.552 4.640 0.001 0.000 0.226 518 D C 1.169 177.181 176.300 -0.479 0.000 1.020 518 D CA 0.549 54.089 54.000 -0.767 0.000 0.892 518 D CB 0.017 40.165 40.800 -1.088 0.000 0.900 518 D HN 0.150 nan 8.370 nan 0.000 0.531 519 S N -0.864 114.718 115.700 -0.197 0.000 2.556 519 S HA 0.079 4.549 4.470 0.001 0.000 0.216 519 S C 0.816 175.409 174.600 -0.012 0.000 0.970 519 S CA -0.297 57.852 58.200 -0.086 0.000 0.912 519 S CB -0.577 62.585 63.200 -0.063 0.000 0.790 519 S HN 0.262 nan 8.310 nan 0.000 0.504 520 S N 1.284 116.993 115.700 0.015 0.000 2.603 520 S HA 0.291 4.762 4.470 0.001 0.000 0.268 520 S C 0.352 175.001 174.600 0.082 0.000 1.317 520 S CA -0.423 57.806 58.200 0.049 0.000 1.012 520 S CB 0.525 63.761 63.200 0.061 0.000 0.926 520 S HN 0.167 nan 8.310 nan 0.000 0.539 521 D N 1.206 121.641 120.400 0.058 0.000 2.144 521 D HA -0.080 4.560 4.640 0.001 0.000 0.199 521 D C 1.741 178.080 176.300 0.065 0.000 0.984 521 D CA 1.453 55.486 54.000 0.055 0.000 0.834 521 D CB -0.383 40.437 40.800 0.034 0.000 0.955 521 D HN 0.713 nan 8.370 nan 0.000 0.465 522 E N -0.204 120.037 120.200 0.069 0.000 2.058 522 E HA -0.193 4.157 4.350 0.001 0.000 0.194 522 E C 1.947 178.595 176.600 0.080 0.000 0.997 522 E CA 0.787 57.224 56.400 0.062 0.000 0.801 522 E CB -0.472 29.264 29.700 0.061 0.000 0.746 522 E HN 0.462 nan 8.360 nan 0.000 0.450 523 Y N 0.828 121.128 120.300 0.000 0.000 2.200 523 Y HA -0.244 4.306 4.550 0.001 0.000 0.290 523 Y C 2.154 178.053 175.900 -0.001 0.000 1.137 523 Y CA 1.466 59.566 58.100 -0.000 0.000 1.163 523 Y CB 0.076 38.536 38.460 -0.000 0.000 0.988 523 Y HN -0.017 nan 8.280 nan 0.000 0.518 524 Q N 0.447 120.369 119.800 0.204 0.000 2.170 524 Q HA -0.153 4.188 4.340 0.001 0.000 0.203 524 Q C 1.496 177.500 176.000 0.008 0.000 0.976 524 Q CA 1.600 57.470 55.803 0.112 0.000 0.858 524 Q CB -0.284 28.518 28.738 0.106 0.000 0.907 524 Q HN 0.451 nan 8.270 nan 0.000 0.433 525 N N -0.739 117.959 118.700 -0.004 0.000 2.412 525 N HA 0.044 4.785 4.740 0.001 0.000 0.184 525 N C -0.214 175.262 175.510 -0.056 0.000 1.101 525 N CA 0.127 53.163 53.050 -0.022 0.000 0.881 525 N CB 0.126 38.609 38.487 -0.007 0.000 0.969 525 N HN 0.250 nan 8.380 nan 0.000 0.459 526 L N 2.194 123.352 121.223 -0.109 0.000 2.506 526 L HA -0.021 4.319 4.340 0.001 0.000 0.281 526 L C 0.978 177.780 176.870 -0.113 0.000 1.228 526 L CA -0.143 54.615 54.840 -0.136 0.000 0.850 526 L CB 0.253 42.167 42.059 -0.242 0.000 1.110 526 L HN 0.237 nan 8.230 nan 0.000 0.496 527 D N 0.954 121.302 120.400 -0.087 0.000 2.400 527 D HA -0.109 4.532 4.640 0.001 0.000 0.238 527 D C 0.216 176.460 176.300 -0.092 0.000 1.157 527 D CA -0.398 53.559 54.000 -0.073 0.000 0.889 527 D CB 1.197 41.965 40.800 -0.054 0.000 1.199 527 D HN 0.554 nan 8.370 nan 0.000 0.436 528 D N 0.219 120.575 120.400 -0.073 0.000 2.269 528 D HA -0.160 4.480 4.640 0.001 0.000 0.208 528 D C 1.967 178.229 176.300 -0.063 0.000 0.963 528 D CA 0.881 54.837 54.000 -0.074 0.000 0.864 528 D CB 0.102 40.873 40.800 -0.049 0.000 0.936 528 D HN 0.369 nan 8.370 nan 0.000 0.505 529 S N -1.373 114.295 115.700 -0.052 0.000 2.348 529 S HA -0.157 4.313 4.470 0.001 0.000 0.221 529 S C 1.952 176.522 174.600 -0.050 0.000 1.033 529 S CA 2.032 60.207 58.200 -0.042 0.000 1.010 529 S CB -0.627 62.553 63.200 -0.034 0.000 0.891 529 S HN 0.280 nan 8.310 nan 0.000 0.442 530 T N 1.983 116.500 114.554 -0.061 0.000 2.720 530 T HA -0.118 4.232 4.350 0.001 0.000 0.268 530 T C 1.950 176.596 174.700 -0.090 0.000 1.037 530 T CA 1.596 63.656 62.100 -0.067 0.000 1.144 530 T CB -0.381 68.444 68.868 -0.072 0.000 0.864 530 T HN 0.452 nan 8.240 nan 0.000 0.444 531 R N 0.549 120.964 120.500 -0.140 0.000 2.081 531 R HA -0.104 4.237 4.340 0.001 0.000 0.235 531 R C 2.396 178.650 176.300 -0.077 0.000 1.131 531 R CA 1.197 57.175 56.100 -0.203 0.000 0.960 531 R CB -0.063 30.059 30.300 -0.296 0.000 0.856 531 R HN 0.254 nan 8.270 nan 0.000 0.436 532 Q N 0.383 120.153 119.800 -0.050 0.000 2.230 532 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 532 Q C 2.186 178.183 176.000 -0.004 0.000 0.963 532 Q CA 0.921 56.716 55.803 -0.013 0.000 0.866 532 Q CB -0.066 28.664 28.738 -0.013 0.000 0.931 532 Q HN 0.406 nan 8.270 nan 0.000 0.452 533 L N -0.144 121.070 121.223 -0.014 0.000 2.056 533 L HA -0.139 4.201 4.340 0.001 0.000 0.207 533 L C 2.266 179.139 176.870 0.006 0.000 1.078 533 L CA 0.851 55.687 54.840 -0.006 0.000 0.749 533 L CB -0.369 41.682 42.059 -0.013 0.000 0.901 533 L HN 0.151 nan 8.230 nan 0.000 0.433 534 I N -0.273 120.303 120.570 0.010 0.000 2.226 534 I HA -0.301 3.869 4.170 0.001 0.000 0.245 534 I C 2.772 178.923 176.117 0.057 0.000 1.100 534 I CA 1.201 62.524 61.300 0.039 0.000 1.374 534 I CB -0.451 37.586 38.000 0.061 0.000 1.057 534 I HN 0.210 nan 8.210 nan 0.000 0.413 535 A N 0.540 123.399 122.820 0.064 0.000 1.902 535 A HA -0.198 4.123 4.320 0.001 0.000 0.217 535 A C 2.282 179.888 177.584 0.037 0.000 1.181 535 A CA 1.472 53.548 52.037 0.065 0.000 0.623 535 A CB -0.334 18.708 19.000 0.069 0.000 0.818 535 A HN 0.202 nan 8.150 nan 0.000 0.443 536 K N -0.241 120.174 120.400 0.025 0.000 2.148 536 K HA -0.036 4.284 4.320 0.001 0.000 0.204 536 K C 1.979 178.588 176.600 0.015 0.000 1.050 536 K CA 1.200 57.496 56.287 0.016 0.000 0.942 536 K CB -0.763 31.742 32.500 0.009 0.000 0.724 536 K HN 0.373 nan 8.250 nan 0.000 0.446 537 V N 1.665 121.590 119.914 0.017 0.000 2.307 537 V HA -0.215 3.905 4.120 0.001 0.000 0.245 537 V C 2.555 178.658 176.094 0.016 0.000 1.045 537 V CA 1.761 64.070 62.300 0.015 0.000 1.024 537 V CB -0.371 31.461 31.823 0.015 0.000 0.651 537 V HN 0.355 nan 8.190 nan 0.000 0.449 538 K N 0.177 120.591 120.400 0.023 0.000 2.097 538 K HA -0.143 4.177 4.320 0.001 0.000 0.205 538 K C 1.552 178.160 176.600 0.015 0.000 1.050 538 K CA 1.571 57.870 56.287 0.020 0.000 0.938 538 K CB -0.078 32.438 32.500 0.028 0.000 0.718 538 K HN 0.437 nan 8.250 nan 0.000 0.442 539 N N 1.002 119.711 118.700 0.016 0.000 2.280 539 N HA -0.021 4.720 4.740 0.001 0.000 0.192 539 N C -0.072 175.443 175.510 0.009 0.000 1.109 539 N CA 0.064 53.121 53.050 0.012 0.000 0.855 539 N CB 0.305 38.800 38.487 0.014 0.000 0.974 539 N HN 0.083 nan 8.380 nan 0.000 0.482 540 K N 0.000 120.405 120.400 0.009 0.000 2.780 540 K HA 0.000 4.320 4.320 0.001 0.000 0.191 540 K CA 0.000 56.291 56.287 0.007 0.000 0.838 540 K CB 0.000 32.504 32.500 0.007 0.000 1.064 540 K HN 0.000 nan 8.250 nan 0.000 0.543