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 3ps9_1_A DATA FIRST_RESID -7 DATA SEQUENCE LGTDDDDKMK HYSIQPANLE FNXXXTPVSR DFDDVYFSND NGLEETRYVF DATA SEQUENCE LGGNQLEVRF PEHPHPLFVV AESGFGTGLN FLTLWQAFDQ FREAHPQAQL DATA SEQUENCE QRLHFISFEK FPLTRADLAL AHQHWPELAP WAEQLQAQWP MPLPGCHRLL DATA SEQUENCE LDAGRVTLDL WFGDINELTS QLDDSLNQKV DAWFLDGFAP AKNPDMWTQN DATA SEQUENCE LFNAMARLAR PGGTLATFTS AGFVRRGLQD AGFTMQKRKG FGRKREMLCG DATA SEQUENCE VMEQTLPLPC SAPWFNRTGS SKREAAIIGG GIASALLSLA LLRRGWQVTL DATA SEQUENCE YCADEAPALG ASGNRQGALY PLLSKHDEAL NRFFSNAFTF ARRFYDQLPV DATA SEQUENCE KFDHDWCGVT QLGWDEKSQH KIAQMLSMDL PAELAVAVEA NAVEQITGVA DATA SEQUENCE TNCSGITYPQ GGWLCPAELT RNVLELAQQQ GLQIYYQYQL QNFSRKDDCW DATA SEQUENCE LLNFAGDQQA THSVVVLANG HQISRFSQTS TLPVYSVAGQ VSHIPTTPEL DATA SEQUENCE AELKQVLCYD GYLTPQNPAN QHHCIGASYH RGSEDTAYSE DDQQQNRQRL DATA SEQUENCE IDCFPQAQWA KEVDVSDKEA RCGVRCATRD HLPMVGNVPD YEATLVEYAS DATA SEQUENCE LAEQKDEAVS APVFDDLFMF AALGSRGLCS APLCAEILAA QMSDEPIPMD DATA SEQUENCE ASTLAALNPN RLWVRKLLKG K 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 -7 L HA 0.000 nan 4.340 nan 0.000 0.249 -7 L C 0.000 176.875 176.870 0.008 0.000 1.165 -7 L CA 0.000 54.845 54.840 0.009 0.000 0.813 -7 L CB 0.000 42.064 42.059 0.008 0.000 0.961 -6 G N -0.296 108.508 108.800 0.007 0.000 2.143 -6 G HA2 0.129 4.098 3.960 0.016 0.000 0.248 -6 G HA3 0.129 4.098 3.960 0.016 0.000 0.248 -6 G C 0.268 175.171 174.900 0.005 0.000 0.991 -6 G CA 1.035 46.137 45.100 0.004 0.000 0.689 -6 G HN 2.507 nan 8.290 nan 0.000 0.522 -5 T N -0.917 113.644 114.554 0.012 0.000 2.927 -5 T HA 0.559 4.919 4.350 0.016 0.000 0.281 -5 T C 0.423 175.138 174.700 0.026 0.000 0.998 -5 T CA -0.270 61.840 62.100 0.018 0.000 1.019 -5 T CB 1.627 70.507 68.868 0.020 0.000 1.061 -5 T HN -0.082 nan 8.240 nan 0.000 0.518 -4 D N 0.177 120.598 120.400 0.035 0.000 2.328 -4 D HA 0.061 4.711 4.640 0.016 0.000 0.226 -4 D C 0.886 177.214 176.300 0.046 0.000 1.066 -4 D CA 0.101 54.132 54.000 0.052 0.000 0.861 -4 D CB -0.083 40.758 40.800 0.068 0.000 0.912 -4 D HN 0.425 nan 8.370 nan 0.000 0.521 -3 D N 0.795 121.216 120.400 0.035 0.000 2.228 -3 D HA -0.161 4.488 4.640 0.016 0.000 0.203 -3 D C 1.435 177.752 176.300 0.029 0.000 0.988 -3 D CA 0.854 54.872 54.000 0.031 0.000 0.864 -3 D CB 0.010 40.826 40.800 0.026 0.000 0.928 -3 D HN 0.176 nan 8.370 nan 0.000 0.469 -2 D N 0.578 120.996 120.400 0.031 0.000 2.149 -2 D HA -0.132 4.518 4.640 0.016 0.000 0.198 -2 D C 1.390 177.702 176.300 0.019 0.000 0.990 -2 D CA 0.846 54.861 54.000 0.026 0.000 0.839 -2 D CB -0.230 40.590 40.800 0.034 0.000 0.948 -2 D HN 0.222 nan 8.370 nan 0.000 0.460 -1 D N 0.405 120.827 120.400 0.037 0.000 2.221 -1 D HA -0.113 4.537 4.640 0.016 0.000 0.204 -1 D C 1.641 177.937 176.300 -0.006 0.000 0.982 -1 D CA 0.720 54.745 54.000 0.042 0.000 0.857 -1 D CB -0.119 40.724 40.800 0.071 0.000 0.934 -1 D HN 0.254 nan 8.370 nan 0.000 0.475 0 K N -0.303 120.094 120.400 -0.005 0.000 2.486 0 K HA 0.102 4.432 4.320 0.016 0.000 0.194 0 K C 1.360 177.930 176.600 -0.050 0.000 1.033 0 K CA 0.403 56.682 56.287 -0.014 0.000 1.004 0 K CB 0.260 32.773 32.500 0.021 0.000 0.798 0 K HN 0.141 nan 8.250 nan 0.000 0.495 1 M N 0.046 119.602 119.600 -0.073 0.000 2.313 1 M HA 0.136 4.625 4.480 0.016 0.000 0.273 1 M C -0.327 175.856 176.300 -0.196 0.000 1.049 1 M CA 0.267 55.531 55.300 -0.061 0.000 1.004 1 M CB 0.399 33.006 32.600 0.012 0.000 1.461 1 M HN -0.171 nan 8.290 nan 0.000 0.514 2 K N 0.998 121.208 120.400 -0.317 0.000 2.156 2 K HA 0.451 4.780 4.320 0.016 0.000 0.271 2 K C -1.039 175.157 176.600 -0.674 0.000 0.995 2 K CA -0.186 55.876 56.287 -0.376 0.000 0.890 2 K CB 1.048 33.404 32.500 -0.239 0.000 1.073 2 K HN 0.121 nan 8.250 nan 0.000 0.454 3 H N 0.826 119.745 119.070 -0.252 0.000 2.667 3 H HA 0.191 4.758 4.556 0.017 0.000 0.353 3 H C -0.923 174.261 175.328 -0.239 0.000 1.072 3 H CA -0.560 55.412 56.048 -0.127 0.000 1.214 3 H CB 1.016 30.768 29.762 -0.016 0.000 1.600 3 H HN 0.585 nan 8.280 nan 0.000 0.527 4 Y N 0.599 120.992 120.300 0.155 0.000 2.636 4 Y HA 0.295 4.854 4.550 0.015 0.000 0.260 4 Y C 0.622 176.596 175.900 0.124 0.000 1.177 4 Y CA -0.266 57.904 58.100 0.117 0.000 1.209 4 Y CB 1.090 39.599 38.460 0.082 0.000 1.166 4 Y HN 0.379 nan 8.280 nan 0.000 0.531 5 S N 0.214 116.054 115.700 0.232 0.000 2.536 5 S HA 0.613 5.093 4.470 0.016 0.000 0.287 5 S C -1.154 173.515 174.600 0.114 0.000 1.101 5 S CA -0.511 57.788 58.200 0.165 0.000 0.950 5 S CB 0.749 64.038 63.200 0.148 0.000 1.056 5 S HN 0.073 nan 8.310 nan 0.000 0.481 6 I N 3.872 124.491 120.570 0.081 0.000 2.385 6 I HA 0.334 4.514 4.170 0.016 0.000 0.294 6 I C 0.140 176.264 176.117 0.013 0.000 0.988 6 I CA -0.097 61.221 61.300 0.030 0.000 1.265 6 I CB 1.756 39.755 38.000 -0.001 0.000 1.388 6 I HN 0.701 nan 8.210 nan 0.000 0.480 7 Q N 6.838 126.662 119.800 0.040 0.000 2.259 7 Q HA 0.583 4.933 4.340 0.016 0.000 0.249 7 Q C -2.529 173.560 176.000 0.149 0.000 0.914 7 Q CA -1.719 54.137 55.803 0.088 0.000 0.904 7 Q CB 0.218 29.021 28.738 0.109 0.000 1.213 7 Q HN 0.311 nan 8.270 nan 0.000 0.428 8 P HA 0.151 nan 4.420 nan 0.000 0.277 8 P C -1.061 176.376 177.300 0.229 0.000 1.271 8 P CA -0.499 62.698 63.100 0.162 0.000 0.795 8 P CB 0.510 32.280 31.700 0.116 0.000 1.101 9 A N 1.296 124.262 122.820 0.243 0.000 2.401 9 A HA 0.205 4.534 4.320 0.016 0.000 0.259 9 A C 0.349 177.989 177.584 0.094 0.000 1.103 9 A CA -0.097 52.069 52.037 0.214 0.000 0.789 9 A CB -0.601 18.586 19.000 0.312 0.000 1.035 9 A HN 0.468 nan 8.150 nan 0.000 0.491 10 N N 1.714 120.428 118.700 0.022 0.000 2.415 10 N HA 0.321 5.071 4.740 0.016 0.000 0.250 10 N C -1.226 174.272 175.510 -0.019 0.000 1.127 10 N CA 0.099 53.141 53.050 -0.013 0.000 0.945 10 N CB -0.153 38.298 38.487 -0.061 0.000 1.196 10 N HN 0.535 nan 8.380 nan 0.000 0.499 11 L N 2.201 123.394 121.223 -0.050 0.000 2.331 11 L HA 0.556 4.906 4.340 0.016 0.000 0.275 11 L C 0.089 176.830 176.870 -0.216 0.000 1.022 11 L CA -0.413 54.329 54.840 -0.165 0.000 0.812 11 L CB 1.553 43.455 42.059 -0.261 0.000 1.257 11 L HN 0.524 nan 8.230 nan 0.000 0.435 12 E N 1.104 121.094 120.200 -0.349 0.000 2.413 12 E HA 0.560 4.920 4.350 0.016 0.000 0.277 12 E C -1.568 174.718 176.600 -0.522 0.000 0.958 12 E CA -0.530 55.702 56.400 -0.281 0.000 0.779 12 E CB 1.401 31.038 29.700 -0.106 0.000 1.278 12 E HN 0.285 nan 8.360 nan 0.000 0.456 13 F N 0.719 120.653 119.950 -0.026 0.000 2.656 13 F HA 0.558 5.094 4.527 0.016 0.000 0.394 13 F C 0.683 176.452 175.800 -0.052 0.000 1.168 13 F CA -0.532 57.437 58.000 -0.051 0.000 1.135 13 F CB 1.033 40.014 39.000 -0.031 0.000 1.480 13 F HN 0.628 nan 8.300 nan 0.000 0.500 19 P HA 0.576 nan 4.420 nan 0.000 0.286 19 P C -1.034 176.146 177.300 -0.200 0.000 1.269 19 P CA -0.522 62.309 63.100 -0.447 0.000 0.787 19 P CB 0.889 32.297 31.700 -0.486 0.000 0.920 20 V N 2.547 122.337 119.914 -0.206 0.000 2.540 20 V HA 0.395 4.524 4.120 0.016 0.000 0.302 20 V C 0.251 176.372 176.094 0.045 0.000 1.035 20 V CA -0.578 61.706 62.300 -0.026 0.000 0.873 20 V CB 1.954 33.722 31.823 -0.092 0.000 0.992 20 V HN 0.498 nan 8.190 nan 0.000 0.428 21 S N 4.698 120.465 115.700 0.112 0.000 2.465 21 S HA 0.300 4.779 4.470 0.016 0.000 0.279 21 S C 1.233 175.802 174.600 -0.051 0.000 1.201 21 S CA -0.639 57.623 58.200 0.102 0.000 1.053 21 S CB 0.536 63.761 63.200 0.041 0.000 0.953 21 S HN 0.659 nan 8.310 nan 0.000 0.488 22 R N 3.390 123.857 120.500 -0.057 0.000 2.075 22 R HA -0.050 4.299 4.340 0.016 0.000 0.232 22 R C 1.185 177.396 176.300 -0.149 0.000 1.126 22 R CA 1.533 57.575 56.100 -0.096 0.000 0.963 22 R CB -0.747 29.501 30.300 -0.086 0.000 0.858 22 R HN 0.722 nan 8.270 nan 0.000 0.435 23 D N 0.018 120.295 120.400 -0.206 0.000 2.144 23 D HA -0.153 4.496 4.640 0.016 0.000 0.199 23 D C 1.580 177.591 176.300 -0.482 0.000 0.984 23 D CA 1.241 55.012 54.000 -0.381 0.000 0.834 23 D CB -0.213 40.232 40.800 -0.592 0.000 0.955 23 D HN 0.220 nan 8.370 nan 0.000 0.465 24 F N 0.077 119.846 119.950 -0.302 0.000 2.731 24 F HA 0.082 4.619 4.527 0.016 0.000 0.298 24 F C 0.311 175.903 175.800 -0.346 0.000 1.106 24 F CA -0.345 57.432 58.000 -0.371 0.000 1.329 24 F CB 0.204 38.748 39.000 -0.760 0.000 1.100 24 F HN -0.262 nan 8.300 nan 0.000 0.592 25 D N 1.628 121.940 120.400 -0.147 0.000 2.697 25 D HA -0.232 4.417 4.640 0.016 0.000 0.235 25 D C -0.838 175.375 176.300 -0.145 0.000 1.167 25 D CA 0.760 54.686 54.000 -0.123 0.000 0.656 25 D CB -0.710 40.043 40.800 -0.078 0.000 1.025 25 D HN 0.229 nan 8.370 nan 0.000 0.419 26 D N -1.355 118.884 120.400 -0.268 0.000 2.596 26 D HA 0.470 5.119 4.640 0.016 0.000 0.234 26 D C -0.392 175.816 176.300 -0.153 0.000 1.181 26 D CA -0.440 53.425 54.000 -0.226 0.000 0.856 26 D CB 1.910 42.533 40.800 -0.295 0.000 1.498 26 D HN -0.016 nan 8.370 nan 0.000 0.446 27 V N 0.965 120.869 119.914 -0.017 0.000 2.834 27 V HA 0.265 4.394 4.120 0.016 0.000 0.301 27 V C 1.195 177.389 176.094 0.167 0.000 1.066 27 V CA -0.112 62.207 62.300 0.033 0.000 1.052 27 V CB 0.681 32.490 31.823 -0.022 0.000 1.021 27 V HN 0.639 nan 8.190 nan 0.000 0.480 28 Y N 2.666 122.952 120.300 -0.023 0.000 2.242 28 Y HA 0.135 4.695 4.550 0.016 0.000 0.291 28 Y C 0.943 176.905 175.900 0.104 0.000 1.137 28 Y CA 2.138 60.285 58.100 0.078 0.000 1.181 28 Y CB 0.114 38.580 38.460 0.010 0.000 0.989 28 Y HN 0.801 nan 8.280 nan 0.000 0.527 29 F N -4.895 115.214 119.950 0.264 0.000 2.779 29 F HA 0.606 5.143 4.527 0.016 0.000 0.316 29 F C -0.482 175.412 175.800 0.156 0.000 1.164 29 F CA -2.122 55.975 58.000 0.162 0.000 0.924 29 F CB 0.452 39.573 39.000 0.202 0.000 1.348 29 F HN -0.578 nan 8.300 nan 0.000 0.467 30 S N 1.107 117.076 115.700 0.449 0.000 2.603 30 S HA 0.243 4.722 4.470 0.016 0.000 0.268 30 S C 0.700 175.569 174.600 0.447 0.000 1.317 30 S CA -0.566 57.829 58.200 0.326 0.000 1.012 30 S CB 0.654 63.988 63.200 0.223 0.000 0.926 30 S HN 0.667 nan 8.310 nan 0.000 0.539 31 N N 1.995 120.858 118.700 0.272 0.000 2.083 31 N HA -0.086 4.664 4.740 0.016 0.000 0.190 31 N C 0.513 176.162 175.510 0.232 0.000 1.047 31 N CA 1.131 54.311 53.050 0.216 0.000 0.845 31 N CB -0.263 38.287 38.487 0.105 0.000 1.025 31 N HN 0.559 nan 8.380 nan 0.000 0.428 32 D N 0.386 120.911 120.400 0.207 0.000 2.240 32 D HA 0.043 4.693 4.640 0.016 0.000 0.206 32 D C 0.647 177.124 176.300 0.296 0.000 0.963 32 D CA 0.573 54.695 54.000 0.204 0.000 0.863 32 D CB -0.077 40.809 40.800 0.144 0.000 0.973 32 D HN 0.187 nan 8.370 nan 0.000 0.501 33 N N 0.322 119.195 118.700 0.288 0.000 2.203 33 N HA 0.066 4.816 4.740 0.016 0.000 0.207 33 N C 1.710 177.281 175.510 0.102 0.000 1.130 33 N CA 0.041 53.231 53.050 0.233 0.000 0.861 33 N CB 0.844 39.527 38.487 0.326 0.000 1.005 33 N HN 0.077 nan 8.380 nan 0.000 0.507 34 G N 1.383 110.330 108.800 0.246 0.000 2.503 34 G HA2 -0.247 3.723 3.960 0.016 0.000 0.221 34 G HA3 -0.247 3.723 3.960 0.016 0.000 0.221 34 G C 1.480 176.145 174.900 -0.392 0.000 1.131 34 G CA 0.636 45.766 45.100 0.050 0.000 0.756 34 G HN 0.253 nan 8.290 nan 0.000 0.572 35 L N 0.267 121.129 121.223 -0.602 0.000 2.044 35 L HA 0.139 4.489 4.340 0.016 0.000 0.205 35 L C 2.569 179.191 176.870 -0.412 0.000 1.075 35 L CA 1.701 56.100 54.840 -0.735 0.000 0.747 35 L CB -0.498 41.062 42.059 -0.832 0.000 0.903 35 L HN 0.133 nan 8.230 nan 0.000 0.435 36 E N -0.364 119.662 120.200 -0.290 0.000 2.150 36 E HA -0.246 4.114 4.350 0.016 0.000 0.193 36 E C 1.996 178.254 176.600 -0.569 0.000 0.985 36 E CA 0.997 57.239 56.400 -0.263 0.000 0.814 36 E CB 0.043 29.717 29.700 -0.043 0.000 0.752 36 E HN 0.638 nan 8.360 nan 0.000 0.466 37 E N 0.373 120.043 120.200 -0.885 0.000 2.077 37 E HA -0.137 4.223 4.350 0.016 0.000 0.193 37 E C 1.749 178.096 176.600 -0.422 0.000 0.989 37 E CA 1.414 57.182 56.400 -1.052 0.000 0.800 37 E CB 0.170 29.419 29.700 -0.751 0.000 0.746 37 E HN 0.081 nan 8.360 nan 0.000 0.452 38 T N 0.488 114.864 114.554 -0.297 0.000 2.708 38 T HA -0.147 4.213 4.350 0.016 0.000 0.266 38 T C 1.854 176.476 174.700 -0.129 0.000 1.037 38 T CA 1.362 63.385 62.100 -0.128 0.000 1.146 38 T CB -0.205 68.535 68.868 -0.214 0.000 0.865 38 T HN 0.171 nan 8.240 nan 0.000 0.435 39 R N -0.556 119.837 120.500 -0.177 0.000 2.096 39 R HA -0.083 4.267 4.340 0.016 0.000 0.235 39 R C 2.289 178.544 176.300 -0.074 0.000 1.127 39 R CA 1.383 57.410 56.100 -0.123 0.000 0.968 39 R CB -0.338 29.895 30.300 -0.111 0.000 0.861 39 R HN 0.480 nan 8.270 nan 0.000 0.440 40 Y N 0.435 120.610 120.300 -0.208 0.000 2.206 40 Y HA -0.140 4.419 4.550 0.016 0.000 0.292 40 Y C 2.002 177.796 175.900 -0.176 0.000 1.123 40 Y CA 1.168 59.190 58.100 -0.130 0.000 1.142 40 Y CB -0.169 38.276 38.460 -0.024 0.000 1.006 40 Y HN -0.250 nan 8.280 nan 0.000 0.518 41 V N -0.391 119.367 119.914 -0.260 0.000 2.270 41 V HA -0.249 3.880 4.120 0.016 0.000 0.245 41 V C 1.951 177.640 176.094 -0.674 0.000 1.043 41 V CA 2.218 64.199 62.300 -0.531 0.000 1.014 41 V CB -0.771 30.653 31.823 -0.665 0.000 0.645 41 V HN 0.316 nan 8.190 nan 0.000 0.447 42 F N -1.339 118.407 119.950 -0.339 0.000 2.317 42 F HA 0.154 4.690 4.527 0.016 0.000 0.290 42 F C 1.845 177.391 175.800 -0.424 0.000 1.075 42 F CA 0.589 58.233 58.000 -0.593 0.000 1.380 42 F CB -0.581 37.711 39.000 -1.180 0.000 1.093 42 F HN 0.024 nan 8.300 nan 0.000 0.524 43 L N -0.088 121.052 121.223 -0.139 0.000 2.034 43 L HA 0.103 4.453 4.340 0.016 0.000 0.203 43 L C 2.738 179.527 176.870 -0.136 0.000 1.074 43 L CA 1.937 56.736 54.840 -0.068 0.000 0.748 43 L CB -1.696 40.316 42.059 -0.079 0.000 0.905 43 L HN 0.157 nan 8.230 nan 0.000 0.439 44 G N -0.936 107.749 108.800 -0.193 0.000 2.422 44 G HA2 -0.199 3.770 3.960 0.016 0.000 0.218 44 G HA3 -0.199 3.770 3.960 0.016 0.000 0.218 44 G C 1.565 176.304 174.900 -0.269 0.000 1.146 44 G CA 0.728 45.684 45.100 -0.240 0.000 0.769 44 G HN 0.515 nan 8.290 nan 0.000 0.547 45 G N -0.211 108.404 108.800 -0.308 0.000 2.598 45 G HA2 -0.075 3.895 3.960 0.016 0.000 0.215 45 G HA3 -0.075 3.895 3.960 0.016 0.000 0.215 45 G C 1.344 176.187 174.900 -0.095 0.000 1.131 45 G CA 0.342 45.297 45.100 -0.241 0.000 0.785 45 G HN 0.400 nan 8.290 nan 0.000 0.539 46 N N 0.372 119.051 118.700 -0.034 0.000 2.203 46 N HA 0.047 4.796 4.740 0.016 0.000 0.207 46 N C 0.167 175.673 175.510 -0.006 0.000 1.130 46 N CA -0.007 53.077 53.050 0.057 0.000 0.861 46 N CB 0.322 38.938 38.487 0.214 0.000 1.005 46 N HN 0.377 nan 8.380 nan 0.000 0.507 47 Q N 0.555 120.305 119.800 -0.082 0.000 2.439 47 Q HA -0.182 4.167 4.340 0.016 0.000 0.325 47 Q C 0.781 176.653 176.000 -0.212 0.000 1.372 47 Q CA 0.227 55.958 55.803 -0.120 0.000 0.909 47 Q CB -1.893 26.805 28.738 -0.067 0.000 1.167 47 Q HN 0.444 nan 8.270 nan 0.000 0.418 48 L N -0.423 120.597 121.223 -0.340 0.000 2.109 48 L HA -0.161 4.189 4.340 0.016 0.000 0.207 48 L C 2.440 178.739 176.870 -0.953 0.000 1.086 48 L CA 1.822 56.195 54.840 -0.779 0.000 0.760 48 L CB -0.318 41.204 42.059 -0.896 0.000 0.910 48 L HN 0.431 nan 8.230 nan 0.000 0.437 49 E N 0.277 120.157 120.200 -0.532 0.000 2.072 49 E HA -0.183 4.176 4.350 0.016 0.000 0.191 49 E C 2.244 178.714 176.600 -0.217 0.000 0.985 49 E CA 1.110 57.310 56.400 -0.333 0.000 0.801 49 E CB 0.170 29.779 29.700 -0.152 0.000 0.750 49 E HN 0.194 nan 8.360 nan 0.000 0.452 50 V N 0.714 120.523 119.914 -0.174 0.000 2.427 50 V HA -0.193 3.937 4.120 0.016 0.000 0.248 50 V C 2.328 178.371 176.094 -0.085 0.000 1.051 50 V CA 1.928 64.172 62.300 -0.094 0.000 1.048 50 V CB -0.347 31.442 31.823 -0.057 0.000 0.666 50 V HN 0.234 nan 8.190 nan 0.000 0.456 51 R N -1.738 118.677 120.500 -0.141 0.000 2.112 51 R HA 0.027 4.377 4.340 0.016 0.000 0.216 51 R C 2.231 178.552 176.300 0.036 0.000 1.080 51 R CA 0.756 56.845 56.100 -0.018 0.000 0.996 51 R CB -0.273 30.047 30.300 0.033 0.000 0.902 51 R HN 0.323 nan 8.270 nan 0.000 0.449 52 F N 1.689 121.411 119.950 -0.380 0.000 2.063 52 F HA -0.156 4.381 4.527 0.016 0.000 0.298 52 F C -0.571 174.981 175.800 -0.413 0.000 1.109 52 F CA 1.096 58.660 58.000 -0.727 0.000 1.212 52 F CB -1.808 36.296 39.000 -1.493 0.000 0.973 52 F HN 0.043 nan 8.300 nan 0.000 0.480 53 P HA -0.081 nan 4.420 nan 0.000 0.229 53 P C 0.795 178.177 177.300 0.137 0.000 1.160 53 P CA 1.255 64.446 63.100 0.152 0.000 0.777 53 P CB 0.081 31.683 31.700 -0.163 0.000 0.814 54 E N -1.712 118.566 120.200 0.129 0.000 2.498 54 E HA 0.014 4.374 4.350 0.016 0.000 0.203 54 E C 0.152 176.865 176.600 0.187 0.000 1.013 54 E CA -0.195 56.283 56.400 0.130 0.000 0.927 54 E CB -0.785 28.971 29.700 0.093 0.000 1.012 54 E HN 0.386 nan 8.360 nan 0.000 0.482 55 H N 4.018 123.180 119.070 0.153 0.000 3.145 55 H HA 0.010 4.575 4.556 0.016 0.000 0.288 55 H C -1.656 173.785 175.328 0.188 0.000 0.969 55 H CA -1.035 55.140 56.048 0.212 0.000 1.444 55 H CB 0.855 30.816 29.762 0.331 0.000 1.500 55 H HN -0.132 nan 8.280 nan 0.000 0.552 56 P HA 0.063 nan 4.420 nan 0.000 0.244 56 P C -0.712 176.523 177.300 -0.109 0.000 1.632 56 P CA 0.456 63.499 63.100 -0.095 0.000 0.944 56 P CB -0.022 31.641 31.700 -0.060 0.000 1.569 57 H N 0.637 119.523 119.070 -0.305 0.000 2.930 57 H HA 0.248 4.814 4.556 0.016 0.000 0.371 57 H C -2.185 173.185 175.328 0.070 0.000 1.169 57 H CA -1.690 54.271 56.048 -0.145 0.000 1.157 57 H CB 3.160 32.793 29.762 -0.215 0.000 1.789 57 H HN -0.235 nan 8.280 nan 0.000 0.547 58 P HA 0.015 nan 4.420 nan 0.000 0.236 58 P C 0.072 177.519 177.300 0.245 0.000 1.177 58 P CA 0.257 63.400 63.100 0.072 0.000 0.773 58 P CB 0.921 32.591 31.700 -0.051 0.000 0.878 59 L N -0.407 121.073 121.223 0.428 0.000 2.365 59 L HA 0.603 4.953 4.340 0.016 0.000 0.273 59 L C -1.151 175.991 176.870 0.453 0.000 1.000 59 L CA -1.176 53.907 54.840 0.406 0.000 0.819 59 L CB 1.760 44.024 42.059 0.343 0.000 1.284 59 L HN -0.281 nan 8.230 nan 0.000 0.418 60 F N 4.563 124.564 119.950 0.084 0.000 2.482 60 F HA 0.707 5.244 4.527 0.016 0.000 0.331 60 F C -0.845 174.897 175.800 -0.098 0.000 1.115 60 F CA -0.545 57.405 58.000 -0.083 0.000 0.955 60 F CB 1.710 40.544 39.000 -0.276 0.000 1.136 60 F HN 0.156 nan 8.300 nan 0.000 0.452 61 V N 6.703 126.401 119.914 -0.360 0.000 2.378 61 V HA 0.435 4.564 4.120 0.016 0.000 0.288 61 V C -0.695 175.182 176.094 -0.362 0.000 1.016 61 V CA -0.810 61.328 62.300 -0.269 0.000 0.840 61 V CB 1.340 32.946 31.823 -0.362 0.000 0.994 61 V HN 0.540 nan 8.190 nan 0.000 0.431 62 V N 4.049 123.793 119.914 -0.282 0.000 2.483 62 V HA 0.865 4.995 4.120 0.016 0.000 0.295 62 V C 0.396 175.958 176.094 -0.886 0.000 1.035 62 V CA -0.336 61.631 62.300 -0.554 0.000 0.896 62 V CB 1.754 33.243 31.823 -0.558 0.000 0.986 62 V HN 0.980 nan 8.190 nan 0.000 0.447 63 A N 3.877 126.037 122.820 -1.100 0.000 2.374 63 A HA 0.861 5.190 4.320 0.016 0.000 0.317 63 A C -0.639 176.432 177.584 -0.855 0.000 1.094 63 A CA -0.595 50.724 52.037 -1.197 0.000 0.765 63 A CB 1.572 19.564 19.000 -1.680 0.000 1.268 63 A HN 0.820 nan 8.150 nan 0.000 0.438 64 E N 0.768 120.739 120.200 -0.383 0.000 2.293 64 E HA 0.507 4.866 4.350 0.016 0.000 0.270 64 E C -0.875 175.981 176.600 0.426 0.000 0.879 64 E CA -0.499 55.951 56.400 0.083 0.000 0.756 64 E CB 1.726 31.421 29.700 -0.009 0.000 1.208 64 E HN 0.705 nan 8.360 nan 0.000 0.428 65 S N 2.102 118.035 115.700 0.389 0.000 2.422 65 S HA 0.635 5.115 4.470 0.016 0.000 0.298 65 S C 0.330 175.027 174.600 0.162 0.000 1.118 65 S CA 0.065 58.414 58.200 0.249 0.000 1.083 65 S CB 0.945 64.147 63.200 0.003 0.000 0.971 65 S HN 0.927 nan 8.310 nan 0.000 0.478 66 G N 2.787 111.726 108.800 0.232 0.000 2.858 66 G HA2 -0.214 3.756 3.960 0.016 0.000 0.266 66 G HA3 -0.214 3.756 3.960 0.016 0.000 0.266 66 G C -0.254 174.816 174.900 0.283 0.000 1.023 66 G CA -0.211 45.000 45.100 0.185 0.000 1.172 66 G HN 0.822 nan 8.290 nan 0.000 0.523 67 F N 2.189 122.309 119.950 0.284 0.000 2.146 67 F HA 0.254 4.791 4.527 0.017 0.000 0.298 67 F C 2.376 178.396 175.800 0.366 0.000 1.096 67 F CA 3.151 61.365 58.000 0.357 0.000 1.275 67 F CB -0.196 39.060 39.000 0.427 0.000 1.008 67 F HN 1.591 nan 8.300 nan 0.000 0.480 68 G N -0.083 109.051 108.800 0.556 0.000 2.622 68 G HA2 -0.456 3.513 3.960 0.016 0.000 0.307 68 G HA3 -0.456 3.513 3.960 0.016 0.000 0.307 68 G C 1.090 176.263 174.900 0.455 0.000 1.226 68 G CA 0.762 46.222 45.100 0.600 0.000 0.997 68 G HN 0.325 nan 8.290 nan 0.000 0.551 69 T N 1.522 116.266 114.554 0.317 0.000 2.962 69 T HA 0.305 4.664 4.350 0.016 0.000 0.270 69 T C 2.147 176.950 174.700 0.172 0.000 1.088 69 T CA 2.543 64.769 62.100 0.210 0.000 1.127 69 T CB -0.692 68.400 68.868 0.373 0.000 0.883 69 T HN 2.427 nan 8.240 nan 0.000 0.493 70 G N 0.391 109.069 108.800 -0.202 0.000 2.159 70 G HA2 -0.213 3.756 3.960 0.016 0.000 0.227 70 G HA3 -0.213 3.756 3.960 0.016 0.000 0.227 70 G C 0.851 175.633 174.900 -0.196 0.000 0.986 70 G CA 0.345 45.122 45.100 -0.538 0.000 0.651 70 G HN 0.484 nan 8.290 nan 0.000 0.523 71 L N -0.016 121.133 121.223 -0.124 0.000 2.042 71 L HA -0.109 4.240 4.340 0.016 0.000 0.210 71 L C 2.667 179.396 176.870 -0.235 0.000 1.076 71 L CA 2.352 57.062 54.840 -0.218 0.000 0.749 71 L CB -0.323 41.561 42.059 -0.292 0.000 0.893 71 L HN 0.344 nan 8.230 nan 0.000 0.432 72 N N -0.298 118.302 118.700 -0.167 0.000 2.142 72 N HA -0.221 4.528 4.740 0.016 0.000 0.186 72 N C 1.560 177.075 175.510 0.008 0.000 1.023 72 N CA 1.280 54.282 53.050 -0.080 0.000 0.852 72 N CB -0.544 37.913 38.487 -0.050 0.000 0.998 72 N HN 0.308 nan 8.380 nan 0.000 0.424 73 F N 1.667 121.434 119.950 -0.304 0.000 2.102 73 F HA -0.010 4.527 4.527 0.016 0.000 0.298 73 F C 1.931 177.604 175.800 -0.213 0.000 1.105 73 F CA 1.088 58.733 58.000 -0.592 0.000 1.239 73 F CB -0.487 38.056 39.000 -0.762 0.000 0.991 73 F HN -0.068 nan 8.300 nan 0.000 0.474 74 L N -0.297 120.718 121.223 -0.346 0.000 2.083 74 L HA -0.228 4.121 4.340 0.016 0.000 0.209 74 L C 2.307 178.920 176.870 -0.428 0.000 1.083 74 L CA 1.847 56.474 54.840 -0.354 0.000 0.752 74 L CB -1.187 40.754 42.059 -0.197 0.000 0.899 74 L HN 0.181 nan 8.230 nan 0.000 0.433 75 T N 0.024 114.369 114.554 -0.349 0.000 2.904 75 T HA -0.141 4.219 4.350 0.016 0.000 0.267 75 T C 1.785 176.345 174.700 -0.233 0.000 1.059 75 T CA 0.997 62.899 62.100 -0.329 0.000 1.137 75 T CB -0.136 68.559 68.868 -0.287 0.000 0.879 75 T HN 0.137 nan 8.240 nan 0.000 0.467 76 L N 0.164 121.311 121.223 -0.126 0.000 2.056 76 L HA 0.070 4.420 4.340 0.016 0.000 0.207 76 L C 2.131 179.009 176.870 0.013 0.000 1.078 76 L CA 1.515 56.376 54.840 0.036 0.000 0.749 76 L CB -0.714 41.459 42.059 0.190 0.000 0.901 76 L HN 0.321 nan 8.230 nan 0.000 0.433 77 W N 0.764 121.789 121.300 -0.458 0.000 2.355 77 W HA -0.239 4.431 4.660 0.017 0.000 0.309 77 W C 2.635 178.843 176.519 -0.518 0.000 1.206 77 W CA 2.070 59.141 57.345 -0.456 0.000 1.284 77 W CB -0.846 28.181 29.460 -0.721 0.000 1.145 77 W HN 0.472 nan 8.180 nan 0.000 0.502 78 Q N -0.030 119.278 119.800 -0.821 0.000 2.096 78 Q HA -0.211 4.139 4.340 0.016 0.000 0.204 78 Q C 2.220 177.996 176.000 -0.373 0.000 0.982 78 Q CA 2.517 57.610 55.803 -1.183 0.000 0.850 78 Q CB -0.419 27.540 28.738 -1.299 0.000 0.901 78 Q HN 0.185 nan 8.270 nan 0.000 0.422 79 A N 0.089 122.825 122.820 -0.141 0.000 1.897 79 A HA -0.151 4.179 4.320 0.016 0.000 0.215 79 A C 1.813 179.565 177.584 0.281 0.000 1.181 79 A CA 1.025 53.097 52.037 0.059 0.000 0.620 79 A CB -0.927 18.111 19.000 0.063 0.000 0.821 79 A HN 0.588 nan 8.150 nan 0.000 0.443 80 F N 1.415 121.493 119.950 0.214 0.000 2.120 80 F HA -0.231 4.305 4.527 0.016 0.000 0.300 80 F C 1.653 177.612 175.800 0.266 0.000 1.095 80 F CA 2.230 60.382 58.000 0.254 0.000 1.249 80 F CB -0.259 38.816 39.000 0.124 0.000 0.995 80 F HN 0.244 nan 8.300 nan 0.000 0.480 81 D N -0.296 120.234 120.400 0.218 0.000 2.178 81 D HA -0.157 4.492 4.640 0.016 0.000 0.202 81 D C 2.240 178.559 176.300 0.032 0.000 0.974 81 D CA 1.165 55.240 54.000 0.124 0.000 0.841 81 D CB -0.252 40.743 40.800 0.326 0.000 0.953 81 D HN 0.489 nan 8.370 nan 0.000 0.478 82 Q N -1.000 118.841 119.800 0.069 0.000 2.137 82 Q HA -0.070 4.279 4.340 0.016 0.000 0.198 82 Q C 1.946 177.987 176.000 0.069 0.000 0.960 82 Q CA 0.480 56.320 55.803 0.061 0.000 0.847 82 Q CB -0.105 28.675 28.738 0.070 0.000 0.915 82 Q HN 0.328 nan 8.270 nan 0.000 0.448 83 F N 1.673 121.625 119.950 0.003 0.000 2.102 83 F HA -0.178 4.358 4.527 0.016 0.000 0.298 83 F C 1.997 177.777 175.800 -0.033 0.000 1.105 83 F CA 1.340 59.376 58.000 0.060 0.000 1.239 83 F CB -0.003 39.077 39.000 0.133 0.000 0.991 83 F HN -0.136 nan 8.300 nan 0.000 0.474 84 R N 0.622 120.720 120.500 -0.669 0.000 2.096 84 R HA -0.172 4.177 4.340 0.016 0.000 0.235 84 R C 2.174 178.229 176.300 -0.408 0.000 1.127 84 R CA 1.553 57.215 56.100 -0.730 0.000 0.968 84 R CB -0.952 29.001 30.300 -0.578 0.000 0.861 84 R HN 0.486 nan 8.270 nan 0.000 0.440 85 E N 0.651 120.700 120.200 -0.252 0.000 2.072 85 E HA -0.096 4.264 4.350 0.016 0.000 0.191 85 E C 1.745 178.223 176.600 -0.203 0.000 0.985 85 E CA 1.431 57.731 56.400 -0.167 0.000 0.801 85 E CB -0.057 29.590 29.700 -0.088 0.000 0.750 85 E HN 0.290 nan 8.360 nan 0.000 0.452 86 A N -0.458 122.215 122.820 -0.244 0.000 1.970 86 A HA -0.046 4.284 4.320 0.016 0.000 0.216 86 A C 0.683 177.908 177.584 -0.598 0.000 1.170 86 A CA 0.977 52.790 52.037 -0.374 0.000 0.645 86 A CB -0.078 18.719 19.000 -0.337 0.000 0.816 86 A HN 0.369 nan 8.150 nan 0.000 0.447 87 H N -1.166 117.727 119.070 -0.295 0.000 2.511 87 H HA 0.171 4.736 4.556 0.016 0.000 0.228 87 H C -2.133 172.981 175.328 -0.357 0.000 1.424 87 H CA -1.154 54.727 56.048 -0.277 0.000 1.321 87 H CB 0.511 30.127 29.762 -0.244 0.000 1.720 87 H HN 0.361 nan 8.280 nan 0.000 0.512 88 P HA -0.184 nan 4.420 nan 0.000 0.221 88 P C 1.506 178.757 177.300 -0.082 0.000 1.145 88 P CA 1.024 64.029 63.100 -0.159 0.000 0.795 88 P CB 0.358 31.991 31.700 -0.112 0.000 0.775 89 Q N -0.060 119.719 119.800 -0.035 0.000 2.432 89 Q HA 0.084 4.434 4.340 0.016 0.000 0.205 89 Q C 0.793 176.816 176.000 0.038 0.000 0.945 89 Q CA 0.204 56.011 55.803 0.007 0.000 0.924 89 Q CB -0.741 28.012 28.738 0.024 0.000 1.016 89 Q HN 0.050 nan 8.270 nan 0.000 0.503 90 A N 1.591 124.440 122.820 0.047 0.000 2.507 90 A HA -0.051 4.279 4.320 0.016 0.000 0.235 90 A C 1.070 178.735 177.584 0.135 0.000 1.070 90 A CA 0.277 52.393 52.037 0.132 0.000 0.768 90 A CB 0.243 19.399 19.000 0.260 0.000 1.011 90 A HN 0.488 nan 8.150 nan 0.000 0.502 91 Q N 0.334 120.229 119.800 0.158 0.000 2.119 91 Q HA -0.098 4.251 4.340 0.016 0.000 0.201 91 Q C 0.456 176.566 176.000 0.183 0.000 0.972 91 Q CA 0.624 56.502 55.803 0.126 0.000 0.847 91 Q CB -0.116 28.675 28.738 0.089 0.000 0.903 91 Q HN 0.668 nan 8.270 nan 0.000 0.433 92 L N 1.864 123.269 121.223 0.303 0.000 2.597 92 L HA -0.048 4.301 4.340 0.016 0.000 0.271 92 L C 0.245 177.329 176.870 0.358 0.000 1.157 92 L CA 1.097 56.171 54.840 0.390 0.000 0.928 92 L CB 0.731 43.060 42.059 0.450 0.000 1.216 92 L HN 0.215 nan 8.230 nan 0.000 0.481 93 Q N 3.772 123.760 119.800 0.313 0.000 2.245 93 Q HA 0.342 4.691 4.340 0.016 0.000 0.250 93 Q C -0.249 176.008 176.000 0.428 0.000 0.830 93 Q CA 0.036 56.006 55.803 0.278 0.000 0.950 93 Q CB 0.850 29.687 28.738 0.165 0.000 1.124 93 Q HN 0.612 nan 8.270 nan 0.000 0.502 94 R N 0.124 120.863 120.500 0.399 0.000 2.725 94 R HA 0.530 4.880 4.340 0.016 0.000 0.277 94 R C -1.616 174.652 176.300 -0.054 0.000 0.987 94 R CA -0.650 55.593 56.100 0.238 0.000 0.901 94 R CB 2.064 32.461 30.300 0.160 0.000 1.207 94 R HN -0.013 nan 8.270 nan 0.000 0.463 95 L N 1.692 122.672 121.223 -0.405 0.000 2.346 95 L HA 0.504 4.854 4.340 0.016 0.000 0.274 95 L C -1.133 175.639 176.870 -0.164 0.000 1.007 95 L CA -0.732 53.797 54.840 -0.518 0.000 0.818 95 L CB 1.804 43.221 42.059 -1.071 0.000 1.284 95 L HN 0.722 nan 8.230 nan 0.000 0.424 96 H N 3.080 122.082 119.070 -0.113 0.000 2.589 96 H HA 0.438 5.003 4.556 0.016 0.000 0.351 96 H C -1.791 173.538 175.328 0.001 0.000 1.074 96 H CA -0.413 55.598 56.048 -0.062 0.000 1.203 96 H CB 1.984 31.700 29.762 -0.077 0.000 1.558 96 H HN 0.443 nan 8.280 nan 0.000 0.522 97 F N 6.040 125.969 119.950 -0.036 0.000 2.536 97 F HA 0.477 5.014 4.527 0.016 0.000 0.322 97 F C -1.631 174.121 175.800 -0.079 0.000 1.144 97 F CA -0.673 57.303 58.000 -0.040 0.000 0.924 97 F CB 0.785 39.828 39.000 0.071 0.000 1.181 97 F HN 0.428 nan 8.300 nan 0.000 0.438 98 I N 5.125 125.512 120.570 -0.306 0.000 2.382 98 I HA 0.354 4.533 4.170 0.016 0.000 0.285 98 I C -0.384 175.462 176.117 -0.452 0.000 1.007 98 I CA -0.294 60.842 61.300 -0.274 0.000 1.142 98 I CB 1.566 39.398 38.000 -0.280 0.000 1.289 98 I HN 0.489 nan 8.210 nan 0.000 0.453 99 S N 5.718 121.243 115.700 -0.292 0.000 2.568 99 S HA 0.761 5.240 4.470 0.016 0.000 0.293 99 S C -1.050 173.370 174.600 -0.300 0.000 1.089 99 S CA -0.393 57.740 58.200 -0.111 0.000 0.945 99 S CB 0.986 64.470 63.200 0.474 0.000 1.077 99 S HN 0.285 nan 8.310 nan 0.000 0.485 100 F N 1.769 121.854 119.950 0.225 0.000 2.495 100 F HA 0.679 5.215 4.527 0.015 0.000 0.327 100 F C 0.066 176.026 175.800 0.267 0.000 1.103 100 F CA -0.604 57.526 58.000 0.217 0.000 0.949 100 F CB 2.010 41.078 39.000 0.114 0.000 1.142 100 F HN 0.504 nan 8.300 nan 0.000 0.457 101 E N 1.879 122.355 120.200 0.460 0.000 2.311 101 E HA 0.260 4.619 4.350 0.016 0.000 0.281 101 E C -0.512 176.259 176.600 0.286 0.000 0.905 101 E CA -0.507 56.145 56.400 0.420 0.000 0.778 101 E CB 1.877 31.906 29.700 0.549 0.000 1.240 101 E HN 0.544 nan 8.360 nan 0.000 0.410 102 K N 2.850 123.300 120.400 0.084 0.000 2.242 102 K HA 0.209 4.538 4.320 0.016 0.000 0.200 102 K C -0.320 175.984 176.600 -0.493 0.000 1.050 102 K CA 0.466 56.588 56.287 -0.274 0.000 0.981 102 K CB 0.274 32.458 32.500 -0.527 0.000 0.795 102 K HN 0.407 nan 8.250 nan 0.000 0.477 103 F N 2.582 122.668 119.950 0.227 0.000 2.531 103 F HA 0.334 4.871 4.527 0.017 0.000 0.333 103 F C -2.398 173.526 175.800 0.207 0.000 1.292 103 F CA -3.046 55.077 58.000 0.205 0.000 1.184 103 F CB 0.980 40.161 39.000 0.302 0.000 1.426 103 F HN -0.098 nan 8.300 nan 0.000 0.559 104 P HA 0.043 nan 4.420 nan 0.000 0.271 104 P C 0.148 177.637 177.300 0.314 0.000 1.216 104 P CA -0.032 63.196 63.100 0.212 0.000 0.776 104 P CB 1.244 32.714 31.700 -0.384 0.000 0.881 105 L N 2.304 123.775 121.223 0.413 0.000 2.483 105 L HA 0.070 4.420 4.340 0.016 0.000 0.275 105 L C 1.674 178.721 176.870 0.294 0.000 1.220 105 L CA 0.406 55.389 54.840 0.238 0.000 0.833 105 L CB -0.170 41.913 42.059 0.040 0.000 1.102 105 L HN 0.506 nan 8.230 nan 0.000 0.490 106 T N -0.453 114.203 114.554 0.171 0.000 2.813 106 T HA 0.149 4.509 4.350 0.016 0.000 0.297 106 T C 1.274 176.042 174.700 0.114 0.000 1.036 106 T CA -0.523 61.685 62.100 0.181 0.000 1.044 106 T CB 0.827 69.762 68.868 0.111 0.000 0.993 106 T HN 0.537 nan 8.240 nan 0.000 0.535 107 R N 0.763 121.362 120.500 0.164 0.000 2.105 107 R HA -0.076 4.273 4.340 0.016 0.000 0.239 107 R C 2.759 179.046 176.300 -0.022 0.000 1.135 107 R CA 1.314 57.451 56.100 0.062 0.000 0.967 107 R CB -0.940 29.453 30.300 0.154 0.000 0.861 107 R HN 0.821 nan 8.270 nan 0.000 0.442 108 A N 1.498 124.330 122.820 0.020 0.000 1.873 108 A HA -0.181 4.149 4.320 0.016 0.000 0.215 108 A C 1.587 179.171 177.584 -0.000 0.000 1.186 108 A CA 1.688 53.732 52.037 0.011 0.000 0.616 108 A CB -0.313 18.709 19.000 0.036 0.000 0.823 108 A HN 0.136 nan 8.150 nan 0.000 0.442 109 D N -0.572 119.838 120.400 0.016 0.000 2.144 109 D HA -0.092 4.557 4.640 0.016 0.000 0.200 109 D C 1.842 178.115 176.300 -0.044 0.000 0.978 109 D CA 1.025 55.057 54.000 0.053 0.000 0.833 109 D CB -0.310 40.514 40.800 0.039 0.000 0.961 109 D HN 0.343 nan 8.370 nan 0.000 0.470 110 L N 0.860 121.957 121.223 -0.210 0.000 2.046 110 L HA -0.081 4.269 4.340 0.016 0.000 0.208 110 L C 2.114 178.662 176.870 -0.537 0.000 1.077 110 L CA 1.719 56.273 54.840 -0.477 0.000 0.747 110 L CB -0.552 41.065 42.059 -0.737 0.000 0.896 110 L HN -0.037 nan 8.230 nan 0.000 0.432 111 A N -0.627 122.029 122.820 -0.274 0.000 1.933 111 A HA -0.143 4.186 4.320 0.016 0.000 0.218 111 A C 2.228 179.753 177.584 -0.097 0.000 1.175 111 A CA 1.873 53.826 52.037 -0.140 0.000 0.628 111 A CB -0.859 18.105 19.000 -0.059 0.000 0.814 111 A HN 0.499 nan 8.150 nan 0.000 0.444 112 L N -0.774 120.398 121.223 -0.086 0.000 2.046 112 L HA -0.181 4.169 4.340 0.016 0.000 0.208 112 L C 3.095 179.938 176.870 -0.044 0.000 1.077 112 L CA 1.068 55.834 54.840 -0.123 0.000 0.747 112 L CB -0.550 41.436 42.059 -0.121 0.000 0.896 112 L HN 0.420 nan 8.230 nan 0.000 0.432 113 A N -0.621 122.272 122.820 0.122 0.000 1.902 113 A HA -0.244 4.085 4.320 0.016 0.000 0.217 113 A C 2.020 179.827 177.584 0.372 0.000 1.181 113 A CA 1.672 53.909 52.037 0.333 0.000 0.623 113 A CB -0.987 18.147 19.000 0.224 0.000 0.818 113 A HN 0.527 nan 8.150 nan 0.000 0.443 114 H N -1.108 118.066 119.070 0.174 0.000 2.457 114 H HA -0.071 4.495 4.556 0.016 0.000 0.294 114 H C 2.171 177.536 175.328 0.062 0.000 1.064 114 H CA 0.861 57.017 56.048 0.180 0.000 1.330 114 H CB 0.031 29.866 29.762 0.122 0.000 1.395 114 H HN 0.603 nan 8.280 nan 0.000 0.541 115 Q N 0.136 119.949 119.800 0.021 0.000 2.248 115 Q HA -0.173 4.177 4.340 0.016 0.000 0.208 115 Q C 1.181 176.968 176.000 -0.356 0.000 0.984 115 Q CA 0.989 56.671 55.803 -0.202 0.000 0.875 115 Q CB 0.072 28.594 28.738 -0.360 0.000 0.910 115 Q HN 0.701 nan 8.270 nan 0.000 0.433 116 H N -2.619 116.337 119.070 -0.189 0.000 2.547 116 H HA -0.020 4.546 4.556 0.016 0.000 0.266 116 H C -0.344 174.544 175.328 -0.733 0.000 0.988 116 H CA 0.515 56.269 56.048 -0.490 0.000 1.147 116 H CB 0.024 29.427 29.762 -0.598 0.000 1.365 116 H HN 0.330 nan 8.280 nan 0.000 0.589 117 W N 1.650 123.008 121.300 0.096 0.000 1.809 117 W HA 0.244 4.913 4.660 0.016 0.000 0.298 117 W C -1.832 174.696 176.519 0.015 0.000 0.905 117 W CA -1.788 55.581 57.345 0.040 0.000 1.872 117 W CB 0.958 30.418 29.460 -0.001 0.000 2.092 117 W HN -0.055 nan 8.180 nan 0.000 0.403 118 P HA -0.271 nan 4.420 nan 0.000 0.219 118 P C 1.331 178.701 177.300 0.115 0.000 1.146 118 P CA 1.635 64.792 63.100 0.095 0.000 0.808 118 P CB 0.348 32.073 31.700 0.041 0.000 0.779 119 E N -0.431 119.866 120.200 0.162 0.000 2.171 119 E HA -0.181 4.178 4.350 0.016 0.000 0.197 119 E C 1.193 177.923 176.600 0.217 0.000 0.997 119 E CA 0.899 57.393 56.400 0.158 0.000 0.810 119 E CB -0.205 29.579 29.700 0.141 0.000 0.738 119 E HN 0.087 nan 8.360 nan 0.000 0.467 120 L N -0.082 121.265 121.223 0.206 0.000 2.592 120 L HA 0.190 4.539 4.340 0.016 0.000 0.227 120 L C 1.869 178.862 176.870 0.205 0.000 1.127 120 L CA 0.687 55.683 54.840 0.260 0.000 0.884 120 L CB -0.265 41.831 42.059 0.061 0.000 1.065 120 L HN 0.093 nan 8.230 nan 0.000 0.457 121 A N 0.587 123.451 122.820 0.073 0.000 1.978 121 A HA -0.091 4.238 4.320 0.016 0.000 0.220 121 A C -0.139 177.339 177.584 -0.176 0.000 1.170 121 A CA 1.460 53.479 52.037 -0.031 0.000 0.636 121 A CB -1.416 17.567 19.000 -0.029 0.000 0.810 121 A HN 0.299 nan 8.150 nan 0.000 0.448 122 P HA -0.124 nan 4.420 nan 0.000 0.218 122 P C 1.281 178.102 177.300 -0.799 0.000 1.149 122 P CA 0.922 63.596 63.100 -0.709 0.000 0.817 122 P CB -0.091 30.876 31.700 -1.221 0.000 0.785 123 W N -0.635 120.400 121.300 -0.442 0.000 2.525 123 W HA 0.223 4.893 4.660 0.016 0.000 0.288 123 W C 2.342 178.678 176.519 -0.305 0.000 1.200 123 W CA 0.687 57.600 57.345 -0.721 0.000 1.349 123 W CB -1.370 27.527 29.460 -0.937 0.000 1.102 123 W HN -0.071 nan 8.180 nan 0.000 0.558 124 A N 1.089 123.899 122.820 -0.017 0.000 1.940 124 A HA -0.234 4.096 4.320 0.016 0.000 0.219 124 A C 1.827 179.480 177.584 0.115 0.000 1.176 124 A CA 1.985 53.989 52.037 -0.055 0.000 0.631 124 A CB -0.827 18.043 19.000 -0.216 0.000 0.814 124 A HN 0.335 nan 8.150 nan 0.000 0.446 125 E N -0.611 119.617 120.200 0.046 0.000 2.107 125 E HA -0.185 4.175 4.350 0.016 0.000 0.191 125 E C 2.312 178.980 176.600 0.113 0.000 0.982 125 E CA 1.165 57.605 56.400 0.067 0.000 0.809 125 E CB -0.149 29.544 29.700 -0.012 0.000 0.756 125 E HN 0.746 nan 8.360 nan 0.000 0.459 126 Q N 0.532 120.400 119.800 0.112 0.000 2.084 126 Q HA -0.129 4.221 4.340 0.016 0.000 0.202 126 Q C 2.379 178.590 176.000 0.353 0.000 0.978 126 Q CA 0.826 56.763 55.803 0.223 0.000 0.844 126 Q CB -0.095 28.818 28.738 0.291 0.000 0.898 126 Q HN 0.318 nan 8.270 nan 0.000 0.426 127 L N 0.789 122.290 121.223 0.464 0.000 2.012 127 L HA -0.285 4.064 4.340 0.016 0.000 0.210 127 L C 2.209 179.332 176.870 0.422 0.000 1.073 127 L CA 1.685 56.842 54.840 0.528 0.000 0.748 127 L CB -0.193 42.248 42.059 0.637 0.000 0.891 127 L HN 0.352 nan 8.230 nan 0.000 0.431 128 Q N -0.724 119.277 119.800 0.334 0.000 2.226 128 Q HA -0.161 4.188 4.340 0.016 0.000 0.204 128 Q C 2.126 178.266 176.000 0.234 0.000 0.975 128 Q CA 1.364 57.322 55.803 0.258 0.000 0.866 128 Q CB -0.193 28.654 28.738 0.181 0.000 0.915 128 Q HN 0.622 nan 8.270 nan 0.000 0.440 129 A N 0.544 123.484 122.820 0.200 0.000 2.067 129 A HA -0.154 4.176 4.320 0.016 0.000 0.219 129 A C 1.586 179.249 177.584 0.133 0.000 1.158 129 A CA 1.088 53.211 52.037 0.143 0.000 0.661 129 A CB 0.082 19.151 19.000 0.115 0.000 0.801 129 A HN 0.316 nan 8.150 nan 0.000 0.452 130 Q N -2.174 117.732 119.800 0.177 0.000 2.164 130 Q HA 0.058 4.408 4.340 0.016 0.000 0.226 130 Q C -0.217 175.866 176.000 0.139 0.000 0.813 130 Q CA -0.625 55.244 55.803 0.109 0.000 0.978 130 Q CB 0.343 29.124 28.738 0.071 0.000 1.149 130 Q HN 0.778 nan 8.270 nan 0.000 0.489 131 W N 5.640 126.963 121.300 0.039 0.000 2.443 131 W HA 0.030 4.700 4.660 0.017 0.000 0.335 131 W C -2.505 174.014 176.519 0.000 0.000 1.382 131 W CA -0.683 56.688 57.345 0.043 0.000 1.305 131 W CB 0.618 30.132 29.460 0.090 0.000 1.283 131 W HN -0.008 nan 8.180 nan 0.000 0.567 132 P HA 0.060 nan 4.420 nan 0.000 0.281 132 P C -0.228 176.830 177.300 -0.404 0.000 1.249 132 P CA -0.440 62.372 63.100 -0.479 0.000 0.810 132 P CB 1.088 32.408 31.700 -0.634 0.000 1.008 133 M N 3.818 123.243 119.600 -0.291 0.000 2.260 133 M HA 0.065 4.555 4.480 0.016 0.000 0.348 133 M C -1.824 174.371 176.300 -0.175 0.000 1.342 133 M CA -1.271 53.924 55.300 -0.175 0.000 1.040 133 M CB 0.183 32.706 32.600 -0.128 0.000 1.810 133 M HN 0.137 nan 8.290 nan 0.000 0.453 134 P HA 0.169 nan 4.420 nan 0.000 0.249 134 P C -1.355 176.002 177.300 0.094 0.000 1.737 134 P CA 0.389 63.438 63.100 -0.085 0.000 1.128 134 P CB -0.527 31.073 31.700 -0.167 0.000 1.942 135 L N 4.022 125.393 121.223 0.247 0.000 2.334 135 L HA 0.531 4.881 4.340 0.016 0.000 0.272 135 L C -2.163 174.974 176.870 0.444 0.000 1.020 135 L CA -3.090 51.936 54.840 0.310 0.000 0.812 135 L CB 1.459 43.684 42.059 0.278 0.000 1.264 135 L HN -0.047 nan 8.230 nan 0.000 0.439 136 P HA 0.175 nan 4.420 nan 0.000 0.267 136 P C 0.264 177.561 177.300 -0.005 0.000 1.200 136 P CA 0.579 63.777 63.100 0.164 0.000 0.772 136 P CB 0.667 32.431 31.700 0.106 0.000 0.855 137 G N 0.737 109.510 108.800 -0.045 0.000 2.545 137 G HA2 -0.195 3.775 3.960 0.016 0.000 0.216 137 G HA3 -0.195 3.775 3.960 0.016 0.000 0.216 137 G C -0.643 173.731 174.900 -0.876 0.000 1.314 137 G CA -0.396 44.552 45.100 -0.254 0.000 0.906 137 G HN 0.769 nan 8.290 nan 0.000 0.563 138 C N 1.995 120.477 119.300 -1.362 0.000 2.435 138 C HA 0.721 5.191 4.460 0.016 0.000 0.375 138 C C -0.169 173.962 174.990 -1.432 0.000 1.281 138 C CA -0.554 57.362 59.018 -1.836 0.000 1.963 138 C CB -0.958 25.521 27.740 -2.102 0.000 2.490 138 C HN 0.684 nan 8.230 nan 0.000 0.557 139 H N 4.563 123.096 119.070 -0.895 0.000 2.727 139 H HA 0.371 4.937 4.556 0.016 0.000 0.330 139 H C -0.319 174.688 175.328 -0.536 0.000 0.986 139 H CA -0.251 55.414 56.048 -0.638 0.000 1.251 139 H CB 1.132 30.496 29.762 -0.664 0.000 1.493 139 H HN 0.716 nan 8.280 nan 0.000 0.515 140 R N 3.956 124.305 120.500 -0.252 0.000 2.346 140 R HA 0.498 4.848 4.340 0.016 0.000 0.311 140 R C -1.095 175.218 176.300 0.021 0.000 0.983 140 R CA -0.624 55.361 56.100 -0.190 0.000 0.880 140 R CB 0.672 30.802 30.300 -0.284 0.000 1.100 140 R HN 0.478 nan 8.270 nan 0.000 0.453 141 L N 6.371 127.548 121.223 -0.077 0.000 2.319 141 L HA 0.407 4.757 4.340 0.016 0.000 0.281 141 L C -0.520 176.335 176.870 -0.026 0.000 1.005 141 L CA -0.926 53.892 54.840 -0.036 0.000 0.828 141 L CB 1.641 43.653 42.059 -0.079 0.000 1.227 141 L HN 0.521 nan 8.230 nan 0.000 0.415 142 L N 5.066 126.315 121.223 0.044 0.000 2.315 142 L HA 0.395 4.745 4.340 0.016 0.000 0.283 142 L C -0.317 176.570 176.870 0.028 0.000 1.089 142 L CA -0.082 54.780 54.840 0.036 0.000 0.833 142 L CB 0.600 42.721 42.059 0.102 0.000 1.170 142 L HN 0.477 nan 8.230 nan 0.000 0.442 143 L N 3.265 124.489 121.223 0.001 0.000 2.334 143 L HA 0.367 4.716 4.340 0.016 0.000 0.273 143 L C 0.385 177.337 176.870 0.138 0.000 1.013 143 L CA -0.548 54.341 54.840 0.082 0.000 0.816 143 L CB 1.303 43.341 42.059 -0.035 0.000 1.278 143 L HN 0.532 nan 8.230 nan 0.000 0.431 144 D N 3.355 123.909 120.400 0.255 0.000 2.689 144 D HA -0.245 4.404 4.640 0.016 0.000 0.237 144 D C 0.781 177.176 176.300 0.158 0.000 1.148 144 D CA 1.053 55.206 54.000 0.254 0.000 0.656 144 D CB -0.418 40.626 40.800 0.407 0.000 1.050 144 D HN 0.961 nan 8.370 nan 0.000 0.426 145 A N -1.636 121.249 122.820 0.108 0.000 2.847 145 A HA 0.048 4.378 4.320 0.016 0.000 0.263 145 A C 2.181 179.816 177.584 0.085 0.000 1.391 145 A CA 1.860 53.944 52.037 0.079 0.000 0.866 145 A CB -1.696 17.346 19.000 0.071 0.000 1.057 145 A HN 2.028 nan 8.150 nan 0.000 0.673 146 G N -1.881 106.966 108.800 0.078 0.000 2.195 146 G HA2 -0.271 3.699 3.960 0.016 0.000 0.224 146 G HA3 -0.271 3.699 3.960 0.016 0.000 0.224 146 G C 0.779 175.717 174.900 0.063 0.000 0.990 146 G CA 1.254 46.393 45.100 0.065 0.000 0.639 146 G HN 1.416 nan 8.290 nan 0.000 0.514 147 R N 0.214 120.774 120.500 0.099 0.000 2.081 147 R HA 0.199 4.549 4.340 0.016 0.000 0.235 147 R C 0.637 176.968 176.300 0.051 0.000 1.131 147 R CA 1.956 58.145 56.100 0.147 0.000 0.960 147 R CB -0.071 30.370 30.300 0.236 0.000 0.856 147 R HN 0.345 nan 8.270 nan 0.000 0.436 148 V N 0.976 120.853 119.914 -0.062 0.000 2.448 148 V HA 0.299 4.429 4.120 0.016 0.000 0.295 148 V C -0.649 175.295 176.094 -0.249 0.000 1.025 148 V CA -0.732 61.398 62.300 -0.285 0.000 0.859 148 V CB 1.870 33.285 31.823 -0.681 0.000 0.988 148 V HN 0.139 nan 8.190 nan 0.000 0.431 149 T N 6.096 120.475 114.554 -0.291 0.000 2.797 149 T HA 0.652 5.011 4.350 0.016 0.000 0.279 149 T C -0.810 173.626 174.700 -0.441 0.000 0.991 149 T CA -0.295 61.577 62.100 -0.380 0.000 0.979 149 T CB 1.454 69.988 68.868 -0.558 0.000 0.943 149 T HN 0.436 nan 8.240 nan 0.000 0.444 150 L N 3.380 124.386 121.223 -0.361 0.000 2.343 150 L HA 0.545 4.895 4.340 0.016 0.000 0.278 150 L C -1.359 175.306 176.870 -0.341 0.000 0.996 150 L CA -0.479 54.149 54.840 -0.353 0.000 0.831 150 L CB 1.327 43.085 42.059 -0.502 0.000 1.232 150 L HN 0.416 nan 8.230 nan 0.000 0.413 151 D N 6.319 126.553 120.400 -0.276 0.000 2.396 151 D HA 0.359 5.009 4.640 0.016 0.000 0.225 151 D C -0.492 175.583 176.300 -0.375 0.000 1.121 151 D CA 0.273 54.087 54.000 -0.310 0.000 0.853 151 D CB 1.338 42.077 40.800 -0.103 0.000 1.043 151 D HN 0.462 nan 8.370 nan 0.000 0.500 152 L N 2.310 123.182 121.223 -0.585 0.000 2.264 152 L HA 0.369 4.719 4.340 0.016 0.000 0.289 152 L C -0.423 175.933 176.870 -0.857 0.000 1.044 152 L CA -0.819 53.606 54.840 -0.692 0.000 0.807 152 L CB 0.923 42.406 42.059 -0.961 0.000 1.192 152 L HN 0.230 nan 8.230 nan 0.000 0.425 153 W N 3.817 124.731 121.300 -0.643 0.000 2.278 153 W HA 0.398 5.067 4.660 0.015 0.000 0.317 153 W C -0.565 175.872 176.519 -0.138 0.000 1.030 153 W CA -0.368 56.715 57.345 -0.436 0.000 1.334 153 W CB 0.702 29.979 29.460 -0.305 0.000 1.215 153 W HN 0.154 nan 8.180 nan 0.000 0.405 154 F N 3.332 123.322 119.950 0.067 0.000 2.421 154 F HA 0.675 5.212 4.527 0.016 0.000 0.358 154 F C 1.003 176.867 175.800 0.107 0.000 1.115 154 F CA -0.972 57.080 58.000 0.086 0.000 1.160 154 F CB 0.507 39.545 39.000 0.064 0.000 1.123 154 F HN 0.458 nan 8.300 nan 0.000 0.508 155 G N 2.606 111.590 108.800 0.307 0.000 2.359 155 G HA2 0.055 4.024 3.960 0.016 0.000 0.293 155 G HA3 0.055 4.024 3.960 0.016 0.000 0.293 155 G C -1.842 173.118 174.900 0.099 0.000 1.300 155 G CA -1.186 44.006 45.100 0.154 0.000 0.888 155 G HN 0.443 nan 8.290 nan 0.000 0.541 156 D N -0.191 120.228 120.400 0.032 0.000 2.425 156 D HA 0.141 4.791 4.640 0.016 0.000 0.247 156 D C 1.604 177.907 176.300 0.005 0.000 1.147 156 D CA -0.187 53.814 54.000 0.003 0.000 0.879 156 D CB 1.342 42.138 40.800 -0.008 0.000 1.179 156 D HN 0.407 nan 8.370 nan 0.000 0.456 157 I N 3.822 124.377 120.570 -0.026 0.000 2.493 157 I HA -0.251 3.929 4.170 0.016 0.000 0.254 157 I C 1.232 177.201 176.117 -0.246 0.000 1.160 157 I CA 1.044 62.251 61.300 -0.154 0.000 1.445 157 I CB 0.069 37.960 38.000 -0.182 0.000 1.086 157 I HN 0.387 nan 8.210 nan 0.000 0.433 158 N N 0.076 118.679 118.700 -0.160 0.000 2.463 158 N HA -0.079 4.671 4.740 0.016 0.000 0.181 158 N C 1.398 176.836 175.510 -0.120 0.000 1.078 158 N CA 0.454 53.408 53.050 -0.160 0.000 0.902 158 N CB 0.194 38.607 38.487 -0.123 0.000 0.970 158 N HN 0.427 nan 8.380 nan 0.000 0.451 159 E N 0.375 120.524 120.200 -0.084 0.000 2.166 159 E HA 0.054 4.414 4.350 0.016 0.000 0.192 159 E C 1.617 178.178 176.600 -0.065 0.000 0.967 159 E CA 0.368 56.736 56.400 -0.054 0.000 0.840 159 E CB 0.204 29.897 29.700 -0.013 0.000 0.795 159 E HN 0.321 nan 8.360 nan 0.000 0.470 160 L N 1.155 122.329 121.223 -0.082 0.000 2.109 160 L HA -0.123 4.227 4.340 0.016 0.000 0.207 160 L C 2.797 179.525 176.870 -0.238 0.000 1.086 160 L CA 1.509 56.303 54.840 -0.078 0.000 0.760 160 L CB -0.609 41.485 42.059 0.058 0.000 0.910 160 L HN 0.258 nan 8.230 nan 0.000 0.437 161 T N -3.427 110.918 114.554 -0.348 0.000 2.833 161 T HA -0.160 4.200 4.350 0.016 0.000 0.269 161 T C 1.770 176.332 174.700 -0.229 0.000 1.054 161 T CA 1.293 63.169 62.100 -0.374 0.000 1.135 161 T CB -0.490 68.144 68.868 -0.389 0.000 0.869 161 T HN 0.416 nan 8.240 nan 0.000 0.466 162 S N 0.401 116.002 115.700 -0.166 0.000 2.593 162 S HA 0.160 4.640 4.470 0.016 0.000 0.217 162 S C 1.694 176.243 174.600 -0.086 0.000 0.966 162 S CA -0.412 57.720 58.200 -0.112 0.000 0.914 162 S CB -0.239 62.910 63.200 -0.084 0.000 0.776 162 S HN 0.601 nan 8.310 nan 0.000 0.523 163 Q N 0.384 120.124 119.800 -0.100 0.000 2.319 163 Q HA 0.355 4.705 4.340 0.016 0.000 0.209 163 Q C -0.082 175.873 176.000 -0.074 0.000 0.884 163 Q CA -0.089 55.684 55.803 -0.050 0.000 0.938 163 Q CB 0.229 28.975 28.738 0.014 0.000 1.098 163 Q HN 0.554 nan 8.270 nan 0.000 0.517 164 L N 1.349 122.466 121.223 -0.177 0.000 2.452 164 L HA 0.089 4.439 4.340 0.016 0.000 0.267 164 L C 0.309 177.126 176.870 -0.087 0.000 1.188 164 L CA -0.246 54.474 54.840 -0.199 0.000 0.821 164 L CB 0.249 42.143 42.059 -0.275 0.000 1.102 164 L HN -0.015 nan 8.230 nan 0.000 0.470 165 D N 0.004 120.379 120.400 -0.042 0.000 2.344 165 D HA -0.012 4.638 4.640 0.016 0.000 0.244 165 D C 0.680 176.952 176.300 -0.047 0.000 1.134 165 D CA -0.254 53.727 54.000 -0.032 0.000 0.930 165 D CB 0.925 41.719 40.800 -0.010 0.000 1.175 165 D HN 0.445 nan 8.370 nan 0.000 0.437 166 D N 0.350 120.722 120.400 -0.047 0.000 2.263 166 D HA -0.148 4.502 4.640 0.016 0.000 0.208 166 D C 1.918 178.192 176.300 -0.043 0.000 0.971 166 D CA 0.899 54.869 54.000 -0.050 0.000 0.867 166 D CB -0.189 40.579 40.800 -0.053 0.000 0.929 166 D HN 0.443 nan 8.370 nan 0.000 0.492 167 S N 0.308 115.987 115.700 -0.035 0.000 2.419 167 S HA -0.162 4.317 4.470 0.016 0.000 0.235 167 S C 1.858 176.427 174.600 -0.051 0.000 1.019 167 S CA 0.441 58.622 58.200 -0.032 0.000 0.982 167 S CB -0.345 62.842 63.200 -0.021 0.000 0.789 167 S HN 0.167 nan 8.310 nan 0.000 0.490 168 L N 1.988 123.175 121.223 -0.060 0.000 2.478 168 L HA 0.290 4.640 4.340 0.016 0.000 0.223 168 L C -0.165 176.661 176.870 -0.073 0.000 1.140 168 L CA 0.326 55.117 54.840 -0.082 0.000 0.842 168 L CB -0.924 41.085 42.059 -0.084 0.000 0.953 168 L HN 0.150 nan 8.230 nan 0.000 0.452 169 N N 1.392 120.058 118.700 -0.057 0.000 2.492 169 N HA 0.002 4.752 4.740 0.016 0.000 0.262 169 N C 0.001 175.479 175.510 -0.052 0.000 1.202 169 N CA 0.182 53.206 53.050 -0.044 0.000 0.926 169 N CB 0.305 38.766 38.487 -0.044 0.000 1.078 169 N HN 0.190 nan 8.380 nan 0.000 0.454 170 Q N -0.575 119.200 119.800 -0.042 0.000 2.468 170 Q HA -0.243 4.107 4.340 0.016 0.000 0.289 170 Q C -0.135 175.809 176.000 -0.093 0.000 1.299 170 Q CA 0.792 56.562 55.803 -0.055 0.000 0.838 170 Q CB -0.830 27.875 28.738 -0.054 0.000 1.195 170 Q HN 0.453 nan 8.270 nan 0.000 0.456 171 K N -0.808 119.521 120.400 -0.118 0.000 2.450 171 K HA 0.200 4.530 4.320 0.016 0.000 0.206 171 K C -0.237 176.211 176.600 -0.253 0.000 1.148 171 K CA 0.217 56.391 56.287 -0.187 0.000 1.014 171 K CB 1.432 33.821 32.500 -0.185 0.000 0.966 171 K HN 0.072 nan 8.250 nan 0.000 0.566 172 V N 2.417 122.194 119.914 -0.229 0.000 2.432 172 V HA 0.087 4.216 4.120 0.016 0.000 0.275 172 V C 0.487 176.396 176.094 -0.308 0.000 1.043 172 V CA -0.130 61.961 62.300 -0.349 0.000 0.925 172 V CB 1.475 33.018 31.823 -0.467 0.000 0.985 172 V HN 0.204 nan 8.190 nan 0.000 0.466 173 D N 3.255 123.376 120.400 -0.464 0.000 2.240 173 D HA 0.214 4.863 4.640 0.016 0.000 0.206 173 D C 0.612 176.748 176.300 -0.273 0.000 0.963 173 D CA 1.032 54.725 54.000 -0.511 0.000 0.863 173 D CB 0.918 40.941 40.800 -1.296 0.000 0.973 173 D HN 0.647 nan 8.370 nan 0.000 0.501 174 A N 0.158 122.825 122.820 -0.256 0.000 2.488 174 A HA 0.465 4.795 4.320 0.016 0.000 0.295 174 A C -1.984 175.495 177.584 -0.175 0.000 1.045 174 A CA -0.655 51.370 52.037 -0.019 0.000 0.703 174 A CB 0.929 20.062 19.000 0.221 0.000 1.271 174 A HN 0.050 nan 8.150 nan 0.000 0.400 175 W N 1.470 122.797 121.300 0.044 0.000 2.520 175 W HA 0.693 5.363 4.660 0.015 0.000 0.323 175 W C -0.893 175.821 176.519 0.325 0.000 1.062 175 W CA -0.261 57.111 57.345 0.044 0.000 1.215 175 W CB 1.582 31.043 29.460 0.002 0.000 1.340 175 W HN 0.486 nan 8.180 nan 0.000 0.516 176 F N 5.292 125.430 119.950 0.313 0.000 2.311 176 F HA 0.259 4.796 4.527 0.016 0.000 0.371 176 F C -0.121 175.849 175.800 0.283 0.000 1.083 176 F CA -1.669 56.494 58.000 0.271 0.000 1.113 176 F CB 0.410 39.356 39.000 -0.089 0.000 1.349 176 F HN -0.034 nan 8.300 nan 0.000 0.470 177 L N 4.341 125.890 121.223 0.543 0.000 2.358 177 L HA 0.418 4.767 4.340 0.016 0.000 0.274 177 L C -0.244 176.819 176.870 0.320 0.000 1.136 177 L CA 0.323 55.321 54.840 0.262 0.000 0.970 177 L CB -0.541 41.569 42.059 0.085 0.000 1.314 177 L HN 0.361 nan 8.230 nan 0.000 0.427 178 D N 2.258 122.795 120.400 0.229 0.000 2.595 178 D HA 0.891 5.541 4.640 0.016 0.000 0.268 178 D C -0.008 176.371 176.300 0.132 0.000 1.181 178 D CA 0.523 54.749 54.000 0.377 0.000 1.085 178 D CB 1.995 42.862 40.800 0.113 0.000 1.186 178 D HN 0.699 nan 8.370 nan 0.000 0.621 179 G N -1.096 107.799 108.800 0.157 0.000 2.347 179 G HA2 0.106 4.076 3.960 0.016 0.000 0.477 179 G HA3 0.106 4.076 3.960 0.016 0.000 0.477 179 G C -1.218 173.752 174.900 0.117 0.000 1.349 179 G CA -0.946 44.120 45.100 -0.057 0.000 1.000 179 G HN 0.213 nan 8.290 nan 0.000 0.605 180 F N 1.323 121.417 119.950 0.239 0.000 2.406 180 F HA 0.614 5.151 4.527 0.016 0.000 0.327 180 F C 1.466 177.619 175.800 0.588 0.000 1.153 180 F CA 0.311 58.447 58.000 0.226 0.000 1.218 180 F CB 1.071 40.006 39.000 -0.109 0.000 1.215 180 F HN 0.894 nan 8.300 nan 0.000 0.570 181 A N 4.179 127.393 122.820 0.657 0.000 2.561 181 A HA 0.135 4.465 4.320 0.016 0.000 0.251 181 A C -1.578 176.168 177.584 0.271 0.000 1.062 181 A CA -0.905 51.442 52.037 0.517 0.000 0.761 181 A CB -0.586 18.620 19.000 0.342 0.000 0.986 181 A HN 0.587 nan 8.150 nan 0.000 0.510 182 P HA -0.271 nan 4.420 nan 0.000 0.217 182 P C 1.479 178.814 177.300 0.059 0.000 1.158 182 P CA 2.501 65.357 63.100 -0.405 0.000 0.887 182 P CB 0.097 31.333 31.700 -0.774 0.000 0.792 183 A N -1.589 121.275 122.820 0.072 0.000 2.259 183 A HA 0.105 4.435 4.320 0.016 0.000 0.212 183 A C 1.696 179.346 177.584 0.109 0.000 1.178 183 A CA 1.931 54.028 52.037 0.101 0.000 0.734 183 A CB -1.195 17.851 19.000 0.076 0.000 0.774 183 A HN 0.308 nan 8.150 nan 0.000 0.481 184 K N -0.404 120.092 120.400 0.160 0.000 2.646 184 K HA 0.238 4.568 4.320 0.016 0.000 0.177 184 K C -0.263 176.509 176.600 0.288 0.000 1.222 184 K CA 0.231 56.622 56.287 0.174 0.000 1.138 184 K CB -0.963 31.617 32.500 0.133 0.000 0.955 184 K HN 0.559 nan 8.250 nan 0.000 0.524 185 N N 0.912 119.834 118.700 0.369 0.000 2.646 185 N HA 0.132 4.882 4.740 0.016 0.000 0.296 185 N C -2.353 173.457 175.510 0.500 0.000 1.886 185 N CA -1.296 52.059 53.050 0.508 0.000 0.855 185 N CB 1.518 40.390 38.487 0.642 0.000 1.336 185 N HN -0.065 nan 8.380 nan 0.000 0.496 186 P HA -0.062 nan 4.420 nan 0.000 0.219 186 P C 0.500 178.000 177.300 0.333 0.000 1.146 186 P CA 1.085 64.361 63.100 0.293 0.000 0.808 186 P CB 0.256 31.989 31.700 0.054 0.000 0.779 187 D N -0.616 119.953 120.400 0.281 0.000 2.203 187 D HA -0.194 4.456 4.640 0.016 0.000 0.199 187 D C 1.727 178.143 176.300 0.193 0.000 0.997 187 D CA 1.431 55.557 54.000 0.211 0.000 0.863 187 D CB -0.654 40.275 40.800 0.215 0.000 0.928 187 D HN 0.336 nan 8.370 nan 0.000 0.458 188 M N -2.302 117.451 119.600 0.255 0.000 2.492 188 M HA 0.164 4.653 4.480 0.016 0.000 0.255 188 M C -0.081 176.179 176.300 -0.066 0.000 1.139 188 M CA 0.256 55.593 55.300 0.061 0.000 1.096 188 M CB 0.294 32.893 32.600 -0.001 0.000 1.360 188 M HN -0.132 nan 8.290 nan 0.000 0.480 189 W N 3.458 124.800 121.300 0.072 0.000 1.809 189 W HA 0.351 5.021 4.660 0.016 0.000 0.399 189 W C 0.391 176.792 176.519 -0.197 0.000 0.636 189 W CA -0.368 57.014 57.345 0.060 0.000 2.178 189 W CB -0.630 29.060 29.460 0.382 0.000 1.632 189 W HN 0.209 nan 8.180 nan 0.000 0.470 190 T N -3.207 111.137 114.554 -0.349 0.000 2.881 190 T HA 0.155 4.514 4.350 0.016 0.000 0.278 190 T C 1.115 175.360 174.700 -0.757 0.000 0.982 190 T CA -0.470 61.414 62.100 -0.359 0.000 0.989 190 T CB 1.661 70.399 68.868 -0.218 0.000 1.058 190 T HN 0.070 nan 8.240 nan 0.000 0.529 191 Q N 0.650 120.258 119.800 -0.321 0.000 2.084 191 Q HA -0.152 4.198 4.340 0.016 0.000 0.202 191 Q C 2.209 178.097 176.000 -0.188 0.000 0.978 191 Q CA 1.905 57.611 55.803 -0.161 0.000 0.844 191 Q CB -0.707 28.038 28.738 0.010 0.000 0.898 191 Q HN 0.795 nan 8.270 nan 0.000 0.426 192 N N -0.303 118.281 118.700 -0.194 0.000 2.104 192 N HA -0.193 4.556 4.740 0.016 0.000 0.190 192 N C 1.718 177.090 175.510 -0.229 0.000 1.024 192 N CA 1.480 54.428 53.050 -0.169 0.000 0.853 192 N CB -0.182 38.217 38.487 -0.147 0.000 1.008 192 N HN 0.330 nan 8.380 nan 0.000 0.424 193 L N 0.754 121.763 121.223 -0.356 0.000 1.994 193 L HA -0.092 4.257 4.340 0.016 0.000 0.208 193 L C 2.009 178.709 176.870 -0.285 0.000 1.071 193 L CA 1.641 56.241 54.840 -0.399 0.000 0.745 193 L CB -1.215 40.538 42.059 -0.510 0.000 0.892 193 L HN 0.045 nan 8.230 nan 0.000 0.431 194 F N 0.153 120.017 119.950 -0.143 0.000 2.161 194 F HA -0.186 4.350 4.527 0.016 0.000 0.300 194 F C 2.360 178.122 175.800 -0.063 0.000 1.089 194 F CA 1.414 59.349 58.000 -0.108 0.000 1.282 194 F CB -1.732 37.260 39.000 -0.014 0.000 1.010 194 F HN 0.303 nan 8.300 nan 0.000 0.485 195 N N -0.019 118.727 118.700 0.077 0.000 2.188 195 N HA -0.092 4.657 4.740 0.016 0.000 0.184 195 N C 2.033 177.520 175.510 -0.038 0.000 1.018 195 N CA 0.808 53.867 53.050 0.016 0.000 0.858 195 N CB -0.250 38.226 38.487 -0.018 0.000 0.989 195 N HN 0.252 nan 8.380 nan 0.000 0.426 196 A N 1.466 124.229 122.820 -0.096 0.000 1.898 196 A HA -0.110 4.220 4.320 0.016 0.000 0.216 196 A C 2.170 179.706 177.584 -0.080 0.000 1.181 196 A CA 1.108 53.076 52.037 -0.114 0.000 0.620 196 A CB -0.440 18.442 19.000 -0.195 0.000 0.819 196 A HN 0.169 nan 8.150 nan 0.000 0.442 197 M N -0.380 119.080 119.600 -0.234 0.000 2.108 197 M HA -0.193 4.297 4.480 0.016 0.000 0.261 197 M C 2.511 178.891 176.300 0.134 0.000 1.066 197 M CA 1.570 56.617 55.300 -0.422 0.000 1.107 197 M CB -0.556 31.469 32.600 -0.958 0.000 1.356 197 M HN 0.481 nan 8.290 nan 0.000 0.406 198 A N 0.125 123.009 122.820 0.107 0.000 1.933 198 A HA -0.172 4.158 4.320 0.016 0.000 0.218 198 A C 2.207 179.738 177.584 -0.089 0.000 1.175 198 A CA 1.684 53.623 52.037 -0.164 0.000 0.628 198 A CB -0.677 18.164 19.000 -0.265 0.000 0.814 198 A HN 0.451 nan 8.150 nan 0.000 0.444 199 R N -1.298 119.191 120.500 -0.018 0.000 2.090 199 R HA -0.020 4.330 4.340 0.016 0.000 0.228 199 R C 1.429 177.744 176.300 0.026 0.000 1.110 199 R CA 1.099 57.188 56.100 -0.019 0.000 0.973 199 R CB -0.169 30.115 30.300 -0.026 0.000 0.869 199 R HN 0.401 nan 8.270 nan 0.000 0.440 200 L N 0.358 121.659 121.223 0.129 0.000 2.375 200 L HA 0.243 4.593 4.340 0.016 0.000 0.215 200 L C 0.560 177.525 176.870 0.159 0.000 1.108 200 L CA 0.508 55.442 54.840 0.156 0.000 0.830 200 L CB -0.517 41.724 42.059 0.304 0.000 0.959 200 L HN 0.063 nan 8.230 nan 0.000 0.457 201 A N 0.659 123.633 122.820 0.257 0.000 2.524 201 A HA 0.117 4.447 4.320 0.016 0.000 0.250 201 A C 0.734 178.341 177.584 0.039 0.000 1.078 201 A CA -0.130 52.034 52.037 0.211 0.000 0.761 201 A CB -0.329 18.859 19.000 0.313 0.000 1.012 201 A HN 0.302 nan 8.150 nan 0.000 0.500 202 R N 3.398 123.890 120.500 -0.013 0.000 2.585 202 R HA 0.131 4.480 4.340 0.016 0.000 0.275 202 R C -2.375 173.911 176.300 -0.024 0.000 1.018 202 R CA -1.033 55.036 56.100 -0.052 0.000 1.072 202 R CB 0.183 30.422 30.300 -0.102 0.000 0.953 202 R HN 0.403 nan 8.270 nan 0.000 0.419 203 P HA 0.011 nan 4.420 nan 0.000 0.263 203 P C 0.219 177.514 177.300 -0.008 0.000 1.195 203 P CA 1.019 64.100 63.100 -0.031 0.000 0.762 203 P CB 0.810 32.488 31.700 -0.036 0.000 0.799 204 G N 2.150 110.958 108.800 0.012 0.000 2.195 204 G HA2 -0.168 3.802 3.960 0.016 0.000 0.246 204 G HA3 -0.168 3.802 3.960 0.016 0.000 0.246 204 G C 0.596 175.537 174.900 0.068 0.000 0.984 204 G CA -0.144 44.979 45.100 0.038 0.000 0.633 204 G HN 0.873 nan 8.290 nan 0.000 0.525 205 G N -0.072 108.773 108.800 0.075 0.000 2.606 205 G HA2 0.647 4.616 3.960 0.016 0.000 0.252 205 G HA3 0.647 4.616 3.960 0.016 0.000 0.252 205 G C 0.460 175.481 174.900 0.202 0.000 1.206 205 G CA 1.041 46.204 45.100 0.105 0.000 0.861 205 G HN 1.336 nan 8.290 nan 0.000 0.561 206 T N -2.232 112.437 114.554 0.192 0.000 2.938 206 T HA 0.727 5.087 4.350 0.016 0.000 0.285 206 T C -0.372 174.459 174.700 0.219 0.000 1.028 206 T CA -0.626 61.591 62.100 0.196 0.000 1.005 206 T CB 1.653 70.610 68.868 0.147 0.000 1.157 206 T HN 1.246 nan 8.240 nan 0.000 0.550 207 L N -1.929 119.355 121.223 0.101 0.000 2.469 207 L HA 1.034 5.384 4.340 0.016 0.000 0.256 207 L C -1.201 175.697 176.870 0.047 0.000 1.006 207 L CA -1.198 53.696 54.840 0.091 0.000 0.832 207 L CB 1.463 43.408 42.059 -0.190 0.000 1.421 207 L HN 1.196 nan 8.230 nan 0.000 0.410 208 A N 0.322 123.221 122.820 0.131 0.000 2.572 208 A HA 0.911 5.241 4.320 0.016 0.000 0.295 208 A C -0.823 176.792 177.584 0.052 0.000 1.072 208 A CA -0.050 51.995 52.037 0.014 0.000 0.691 208 A CB 1.869 20.845 19.000 -0.040 0.000 1.291 208 A HN 1.067 nan 8.150 nan 0.000 0.404 209 T N -0.421 114.065 114.554 -0.114 0.000 2.853 209 T HA 0.499 4.858 4.350 0.016 0.000 0.311 209 T C 0.319 174.897 174.700 -0.204 0.000 1.307 209 T CA 0.135 62.187 62.100 -0.080 0.000 1.019 209 T CB 0.646 69.500 68.868 -0.024 0.000 1.264 209 T HN 1.277 nan 8.240 nan 0.000 0.497 210 F N 1.113 121.009 119.950 -0.091 0.000 2.367 210 F HA 0.306 4.842 4.527 0.016 0.000 0.298 210 F C 1.207 176.986 175.800 -0.036 0.000 1.094 210 F CA 0.224 58.176 58.000 -0.079 0.000 1.409 210 F CB -0.848 38.160 39.000 0.014 0.000 1.064 210 F HN 0.473 nan 8.300 nan 0.000 0.528 211 T N 0.376 114.494 114.554 -0.726 0.000 2.882 211 T HA 0.381 4.740 4.350 0.016 0.000 0.287 211 T C 0.841 175.341 174.700 -0.333 0.000 1.014 211 T CA 0.024 61.806 62.100 -0.531 0.000 1.049 211 T CB 0.926 69.256 68.868 -0.897 0.000 1.001 211 T HN 0.388 nan 8.240 nan 0.000 0.525 212 S N 1.410 116.961 115.700 -0.248 0.000 2.846 212 S HA 0.502 4.981 4.470 0.016 0.000 0.249 212 S C 0.581 175.044 174.600 -0.228 0.000 1.028 212 S CA -0.231 57.844 58.200 -0.209 0.000 1.043 212 S CB -0.079 63.052 63.200 -0.115 0.000 0.990 212 S HN 0.985 nan 8.310 nan 0.000 0.564 213 A N 1.434 124.063 122.820 -0.318 0.000 2.580 213 A HA 0.486 4.815 4.320 0.016 0.000 0.244 213 A C 1.656 179.055 177.584 -0.307 0.000 1.045 213 A CA 0.409 52.262 52.037 -0.307 0.000 0.761 213 A CB -0.574 18.139 19.000 -0.479 0.000 0.962 213 A HN 0.677 nan 8.150 nan 0.000 0.512 214 G N 2.526 111.248 108.800 -0.130 0.000 2.574 214 G HA2 -0.339 3.631 3.960 0.016 0.000 0.220 214 G HA3 -0.339 3.631 3.960 0.016 0.000 0.220 214 G C 1.221 176.081 174.900 -0.066 0.000 1.173 214 G CA 1.662 46.720 45.100 -0.070 0.000 0.772 214 G HN 1.261 nan 8.290 nan 0.000 0.585 215 F N 0.750 120.673 119.950 -0.046 0.000 2.293 215 F HA 0.073 4.610 4.527 0.016 0.000 0.300 215 F C 2.281 178.093 175.800 0.019 0.000 1.086 215 F CA 1.005 59.008 58.000 0.005 0.000 1.375 215 F CB -0.623 38.398 39.000 0.035 0.000 1.045 215 F HN 0.014 nan 8.300 nan 0.000 0.516 216 V N 1.404 120.806 119.914 -0.853 0.000 2.379 216 V HA -0.211 3.918 4.120 0.016 0.000 0.245 216 V C 2.774 178.543 176.094 -0.543 0.000 1.044 216 V CA 2.101 63.956 62.300 -0.742 0.000 1.036 216 V CB -0.897 30.430 31.823 -0.828 0.000 0.664 216 V HN 0.430 nan 8.190 nan 0.000 0.453 217 R N 0.361 120.634 120.500 -0.378 0.000 2.080 217 R HA -0.180 4.170 4.340 0.016 0.000 0.236 217 R C 2.530 178.720 176.300 -0.183 0.000 1.137 217 R CA 1.861 57.806 56.100 -0.259 0.000 0.943 217 R CB -0.215 29.978 30.300 -0.178 0.000 0.846 217 R HN 0.409 nan 8.270 nan 0.000 0.431 218 R N -0.594 119.842 120.500 -0.107 0.000 2.092 218 R HA -0.029 4.321 4.340 0.016 0.000 0.231 218 R C 2.432 178.734 176.300 0.004 0.000 1.119 218 R CA 1.161 57.246 56.100 -0.025 0.000 0.970 218 R CB -0.485 29.832 30.300 0.028 0.000 0.864 218 R HN 0.437 nan 8.270 nan 0.000 0.440 219 G N 1.300 110.114 108.800 0.023 0.000 2.440 219 G HA2 -0.246 3.724 3.960 0.016 0.000 0.218 219 G HA3 -0.246 3.724 3.960 0.016 0.000 0.218 219 G C 1.407 176.319 174.900 0.020 0.000 1.154 219 G CA 0.627 45.829 45.100 0.170 0.000 0.767 219 G HN 0.145 nan 8.290 nan 0.000 0.552 220 L N -0.420 120.620 121.223 -0.306 0.000 2.179 220 L HA 0.002 4.352 4.340 0.016 0.000 0.208 220 L C 3.109 180.019 176.870 0.067 0.000 1.096 220 L CA 0.674 55.410 54.840 -0.175 0.000 0.779 220 L CB -0.295 41.516 42.059 -0.413 0.000 0.922 220 L HN 0.255 nan 8.230 nan 0.000 0.443 221 Q N -0.293 119.507 119.800 0.001 0.000 2.084 221 Q HA -0.245 4.105 4.340 0.016 0.000 0.202 221 Q C 1.688 177.710 176.000 0.035 0.000 0.978 221 Q CA 1.670 57.491 55.803 0.030 0.000 0.844 221 Q CB -0.085 28.653 28.738 0.001 0.000 0.898 221 Q HN 0.349 nan 8.270 nan 0.000 0.426 222 D N -0.108 120.318 120.400 0.044 0.000 2.219 222 D HA -0.068 4.581 4.640 0.016 0.000 0.205 222 D C 1.516 177.845 176.300 0.048 0.000 0.970 222 D CA 0.977 55.006 54.000 0.048 0.000 0.851 222 D CB 0.017 40.861 40.800 0.072 0.000 0.943 222 D HN 0.256 nan 8.370 nan 0.000 0.488 223 A N -0.825 122.046 122.820 0.084 0.000 2.119 223 A HA 0.308 4.638 4.320 0.016 0.000 0.217 223 A C 1.854 179.393 177.584 -0.074 0.000 1.153 223 A CA 1.619 53.691 52.037 0.058 0.000 0.692 223 A CB -0.110 18.997 19.000 0.179 0.000 0.799 223 A HN 0.352 nan 8.150 nan 0.000 0.458 224 G N -2.950 105.808 108.800 -0.070 0.000 2.205 224 G HA2 -0.132 3.837 3.960 0.016 0.000 0.180 224 G HA3 -0.132 3.837 3.960 0.016 0.000 0.180 224 G C -0.036 174.738 174.900 -0.211 0.000 1.004 224 G CA -0.221 44.783 45.100 -0.160 0.000 0.670 224 G HN 0.247 nan 8.290 nan 0.000 0.496 225 F N 2.259 122.183 119.950 -0.043 0.000 2.429 225 F HA 0.513 5.049 4.527 0.016 0.000 0.348 225 F C 1.223 176.996 175.800 -0.045 0.000 1.109 225 F CA 0.295 58.269 58.000 -0.043 0.000 1.232 225 F CB 1.154 40.114 39.000 -0.066 0.000 1.157 225 F HN -0.098 nan 8.300 nan 0.000 0.564 226 T N 5.465 120.117 114.554 0.163 0.000 2.729 226 T HA 0.319 4.679 4.350 0.016 0.000 0.296 226 T C 0.176 174.919 174.700 0.072 0.000 0.928 226 T CA -0.510 61.640 62.100 0.084 0.000 1.045 226 T CB 0.082 68.981 68.868 0.053 0.000 0.902 226 T HN 0.204 nan 8.240 nan 0.000 0.500 227 M N 3.134 122.749 119.600 0.026 0.000 2.478 227 M HA 0.466 4.956 4.480 0.016 0.000 0.327 227 M C -0.054 176.227 176.300 -0.032 0.000 1.187 227 M CA -0.594 54.693 55.300 -0.022 0.000 1.022 227 M CB 1.585 34.147 32.600 -0.063 0.000 1.629 227 M HN 0.557 nan 8.290 nan 0.000 0.461 228 Q N 0.927 120.698 119.800 -0.049 0.000 2.315 228 Q HA 0.383 4.733 4.340 0.016 0.000 0.273 228 Q C -1.425 174.540 176.000 -0.057 0.000 1.053 228 Q CA -0.670 55.108 55.803 -0.042 0.000 0.817 228 Q CB 3.090 31.809 28.738 -0.030 0.000 1.326 228 Q HN 0.540 nan 8.270 nan 0.000 0.423 229 K N 2.308 122.679 120.400 -0.048 0.000 2.249 229 K HA 0.309 4.639 4.320 0.016 0.000 0.280 229 K C -0.363 176.217 176.600 -0.032 0.000 1.033 229 K CA -0.084 56.174 56.287 -0.048 0.000 0.946 229 K CB 0.841 33.317 32.500 -0.039 0.000 1.005 229 K HN 0.462 nan 8.250 nan 0.000 0.469 230 R N 0.997 121.480 120.500 -0.028 0.000 2.837 230 R HA 0.375 4.725 4.340 0.016 0.000 0.271 230 R C -1.075 175.253 176.300 0.048 0.000 0.993 230 R CA -1.065 55.035 56.100 -0.000 0.000 0.931 230 R CB 1.001 31.284 30.300 -0.028 0.000 1.206 230 R HN 0.231 nan 8.270 nan 0.000 0.474 231 K N 0.882 121.336 120.400 0.091 0.000 2.524 231 K HA 0.096 4.425 4.320 0.016 0.000 0.279 231 K C 0.241 176.962 176.600 0.201 0.000 0.993 231 K CA 1.112 57.466 56.287 0.112 0.000 1.030 231 K CB 0.539 33.095 32.500 0.094 0.000 0.891 231 K HN 0.749 nan 8.250 nan 0.000 0.488 232 G N 2.247 111.120 108.800 0.122 0.000 2.539 232 G HA2 0.145 4.115 3.960 0.016 0.000 0.258 232 G HA3 0.145 4.115 3.960 0.016 0.000 0.258 232 G C -0.931 174.024 174.900 0.092 0.000 1.202 232 G CA -0.601 44.597 45.100 0.162 0.000 0.851 232 G HN 0.520 nan 8.290 nan 0.000 0.556 233 F N 1.569 121.502 119.950 -0.028 0.000 2.495 233 F HA 0.445 4.982 4.527 0.016 0.000 0.365 233 F C 1.262 176.995 175.800 -0.110 0.000 1.090 233 F CA 1.348 59.213 58.000 -0.224 0.000 1.235 233 F CB 0.643 39.557 39.000 -0.143 0.000 1.119 233 F HN 1.099 nan 8.300 nan 0.000 0.562 234 G N 6.023 114.437 108.800 -0.643 0.000 2.561 234 G HA2 -0.342 3.627 3.960 0.016 0.000 0.289 234 G HA3 -0.342 3.627 3.960 0.016 0.000 0.289 234 G C 1.180 175.989 174.900 -0.152 0.000 1.169 234 G CA 0.288 45.161 45.100 -0.378 0.000 0.980 234 G HN 0.640 nan 8.290 nan 0.000 0.550 235 R N 0.913 121.385 120.500 -0.047 0.000 2.062 235 R HA 0.042 4.391 4.340 0.016 0.000 0.229 235 R C 1.507 177.808 176.300 0.002 0.000 1.128 235 R CA 1.140 57.229 56.100 -0.018 0.000 0.960 235 R CB -0.814 29.492 30.300 0.011 0.000 0.855 235 R HN 0.515 nan 8.270 nan 0.000 0.432 236 K N 1.678 122.101 120.400 0.039 0.000 2.477 236 K HA -0.127 4.203 4.320 0.016 0.000 0.275 236 K C 1.313 177.931 176.600 0.032 0.000 1.054 236 K CA 0.829 57.150 56.287 0.056 0.000 1.135 236 K CB 0.587 33.152 32.500 0.109 0.000 0.854 236 K HN 0.172 nan 8.250 nan 0.000 0.484 237 R N 3.611 124.125 120.500 0.022 0.000 2.148 237 R HA 0.059 4.408 4.340 0.016 0.000 0.223 237 R C 0.475 176.787 176.300 0.019 0.000 1.088 237 R CA 1.827 57.932 56.100 0.009 0.000 0.985 237 R CB -0.643 29.658 30.300 0.001 0.000 0.880 237 R HN 0.819 nan 8.270 nan 0.000 0.451 238 E N -0.912 119.307 120.200 0.031 0.000 2.354 238 E HA 0.517 4.876 4.350 0.016 0.000 0.283 238 E C -1.023 175.590 176.600 0.020 0.000 0.938 238 E CA -0.468 55.944 56.400 0.021 0.000 0.777 238 E CB 1.655 31.350 29.700 -0.008 0.000 1.222 238 E HN 0.462 nan 8.360 nan 0.000 0.423 239 M N 1.541 121.147 119.600 0.011 0.000 2.788 239 M HA 0.665 5.154 4.480 0.016 0.000 0.291 239 M C -1.557 174.691 176.300 -0.088 0.000 1.213 239 M CA -0.958 54.321 55.300 -0.036 0.000 0.768 239 M CB 1.526 34.120 32.600 -0.011 0.000 1.766 239 M HN 0.319 nan 8.290 nan 0.000 0.460 240 L N 1.210 122.351 121.223 -0.136 0.000 2.386 240 L HA 0.781 5.131 4.340 0.016 0.000 0.271 240 L C -1.134 175.647 176.870 -0.148 0.000 0.993 240 L CA -0.673 54.079 54.840 -0.147 0.000 0.819 240 L CB 2.194 44.138 42.059 -0.191 0.000 1.294 240 L HN 1.043 nan 8.230 nan 0.000 0.414 241 C N 0.251 119.476 119.300 -0.126 0.000 2.971 241 C HA 1.051 5.521 4.460 0.016 0.000 0.310 241 C C 0.235 175.165 174.990 -0.100 0.000 1.285 241 C CA -0.847 58.102 59.018 -0.114 0.000 1.593 241 C CB 1.049 28.733 27.740 -0.094 0.000 2.076 241 C HN 0.927 nan 8.230 nan 0.000 0.472 242 G N -0.509 108.237 108.800 -0.090 0.000 2.690 242 G HA2 0.725 4.695 3.960 0.016 0.000 0.291 242 G HA3 0.725 4.695 3.960 0.016 0.000 0.291 242 G C -1.836 173.119 174.900 0.092 0.000 1.403 242 G CA -0.574 44.508 45.100 -0.030 0.000 0.864 242 G HN 1.043 nan 8.290 nan 0.000 0.480 243 V N 0.904 120.936 119.914 0.197 0.000 2.709 243 V HA 0.488 4.617 4.120 0.016 0.000 0.308 243 V C -0.279 175.985 176.094 0.283 0.000 1.062 243 V CA -0.848 61.585 62.300 0.222 0.000 0.901 243 V CB 1.920 33.812 31.823 0.115 0.000 1.003 243 V HN 0.788 nan 8.190 nan 0.000 0.425 244 M N 3.493 123.233 119.600 0.233 0.000 2.557 244 M HA 0.283 4.773 4.480 0.016 0.000 0.328 244 M C 0.450 176.746 176.300 -0.006 0.000 1.423 244 M CA 0.400 55.697 55.300 -0.005 0.000 1.418 244 M CB -0.542 32.003 32.600 -0.093 0.000 1.381 244 M HN 0.672 nan 8.290 nan 0.000 0.467 245 E N 3.923 124.117 120.200 -0.010 0.000 2.336 245 E HA 0.106 4.465 4.350 0.016 0.000 0.214 245 E C -0.413 176.169 176.600 -0.030 0.000 1.144 245 E CA -0.109 56.287 56.400 -0.007 0.000 1.294 245 E CB 0.143 29.849 29.700 0.009 0.000 1.263 245 E HN 0.763 nan 8.360 nan 0.000 0.439 246 Q N -1.738 118.030 119.800 -0.053 0.000 2.648 246 Q HA 0.426 4.776 4.340 0.016 0.000 0.300 246 Q C -0.947 175.016 176.000 -0.062 0.000 0.954 246 Q CA -1.005 54.766 55.803 -0.055 0.000 0.757 246 Q CB 1.284 29.983 28.738 -0.065 0.000 1.482 246 Q HN -0.178 nan 8.270 nan 0.000 0.437 247 T N 1.927 116.449 114.554 -0.053 0.000 2.770 247 T HA 0.388 4.748 4.350 0.016 0.000 0.297 247 T C -0.513 174.152 174.700 -0.059 0.000 0.997 247 T CA -0.535 61.532 62.100 -0.054 0.000 0.949 247 T CB 0.341 69.185 68.868 -0.039 0.000 0.941 247 T HN 0.272 nan 8.240 nan 0.000 0.457 248 L N 5.013 126.192 121.223 -0.073 0.000 2.417 248 L HA 0.390 4.740 4.340 0.016 0.000 0.268 248 L C -1.887 174.950 176.870 -0.055 0.000 1.158 248 L CA -2.607 52.191 54.840 -0.071 0.000 0.819 248 L CB -0.376 41.628 42.059 -0.091 0.000 1.112 248 L HN 0.387 nan 8.230 nan 0.000 0.458 249 P HA 0.038 nan 4.420 nan 0.000 0.261 249 P C -0.471 176.803 177.300 -0.043 0.000 1.203 249 P CA -0.309 62.767 63.100 -0.040 0.000 0.767 249 P CB 0.246 31.924 31.700 -0.037 0.000 0.785 250 L N 7.891 129.090 121.223 -0.039 0.000 2.410 250 L HA 0.257 4.607 4.340 0.016 0.000 0.273 250 L C -1.818 175.026 176.870 -0.043 0.000 1.144 250 L CA -1.425 53.391 54.840 -0.041 0.000 0.863 250 L CB -0.411 41.627 42.059 -0.036 0.000 1.140 250 L HN 0.323 nan 8.230 nan 0.000 0.463 251 P HA 0.134 nan 4.420 nan 0.000 0.271 251 P C -0.953 176.308 177.300 -0.063 0.000 1.220 251 P CA -0.211 62.856 63.100 -0.055 0.000 0.768 251 P CB 0.539 32.204 31.700 -0.058 0.000 0.848 252 C N 3.392 122.648 119.300 -0.073 0.000 3.335 252 C HA 0.325 4.795 4.460 0.016 0.000 0.217 252 C C 0.306 175.207 174.990 -0.148 0.000 1.330 252 C CA -0.096 58.860 59.018 -0.102 0.000 1.470 252 C CB -1.249 26.440 27.740 -0.084 0.000 1.806 252 C HN 0.544 nan 8.230 nan 0.000 0.468 253 S N 1.393 116.999 115.700 -0.156 0.000 2.565 253 S HA 0.551 5.031 4.470 0.016 0.000 0.274 253 S C 0.663 175.033 174.600 -0.384 0.000 1.309 253 S CA 0.553 58.627 58.200 -0.210 0.000 1.043 253 S CB 1.002 64.126 63.200 -0.127 0.000 0.939 253 S HN 1.765 nan 8.310 nan 0.000 0.504 254 A N 4.145 126.523 122.820 -0.736 0.000 2.519 254 A HA -0.095 4.235 4.320 0.016 0.000 0.297 254 A C -1.582 175.238 177.584 -1.274 0.000 1.472 254 A CA 0.171 51.258 52.037 -1.583 0.000 0.739 254 A CB -1.740 16.780 19.000 -0.800 0.000 1.096 254 A HN 0.624 nan 8.150 nan 0.000 0.414 255 P HA -0.153 nan 4.420 nan 0.000 0.219 255 P C 1.264 178.444 177.300 -0.199 0.000 1.146 255 P CA 1.749 64.630 63.100 -0.365 0.000 0.808 255 P CB -0.287 31.334 31.700 -0.133 0.000 0.779 256 W N -2.838 118.377 121.300 -0.141 0.000 2.538 256 W HA 0.048 4.722 4.660 0.022 0.000 0.254 256 W C 0.653 177.042 176.519 -0.217 0.000 1.249 256 W CA 0.347 57.566 57.345 -0.210 0.000 1.253 256 W CB -1.743 27.350 29.460 -0.611 0.000 1.130 256 W HN -0.164 nan 8.180 nan 0.000 0.618 257 F N 1.162 121.049 119.950 -0.106 0.000 2.654 257 F HA 0.257 4.791 4.527 0.013 0.000 0.303 257 F C 0.328 176.098 175.800 -0.051 0.000 1.099 257 F CA -1.589 56.395 58.000 -0.028 0.000 1.270 257 F CB -1.092 37.867 39.000 -0.068 0.000 1.024 257 F HN -0.308 nan 8.300 nan 0.000 0.548 258 N N 2.060 120.814 118.700 0.091 0.000 2.365 258 N HA -0.022 4.727 4.740 0.016 0.000 0.265 258 N C 0.128 175.690 175.510 0.086 0.000 1.288 258 N CA 0.387 53.470 53.050 0.055 0.000 0.869 258 N CB 0.236 38.741 38.487 0.029 0.000 1.071 258 N HN 0.190 nan 8.380 nan 0.000 0.480 259 R N 1.244 121.786 120.500 0.070 0.000 2.204 259 R HA 0.245 4.594 4.340 0.016 0.000 0.341 259 R C 0.235 176.593 176.300 0.097 0.000 1.035 259 R CA -0.521 55.630 56.100 0.086 0.000 0.887 259 R CB 0.416 30.751 30.300 0.059 0.000 1.114 259 R HN 0.521 nan 8.270 nan 0.000 0.473 260 T N -1.054 113.578 114.554 0.129 0.000 2.952 260 T HA 0.703 5.063 4.350 0.016 0.000 0.286 260 T C 0.665 175.527 174.700 0.269 0.000 1.024 260 T CA -0.740 61.447 62.100 0.145 0.000 1.029 260 T CB 2.197 71.132 68.868 0.111 0.000 1.094 260 T HN 0.488 nan 8.240 nan 0.000 0.515 261 G N -0.291 108.665 108.800 0.260 0.000 3.135 261 G HA2 0.647 4.617 3.960 0.016 0.000 0.159 261 G HA3 0.647 4.617 3.960 0.016 0.000 0.159 261 G C -0.844 174.308 174.900 0.420 0.000 1.244 261 G CA -0.688 44.629 45.100 0.361 0.000 0.965 261 G HN 0.955 nan 8.290 nan 0.000 0.599 262 S N -2.185 113.729 115.700 0.357 0.000 2.556 262 S HA 0.486 4.966 4.470 0.016 0.000 0.271 262 S C 0.842 175.549 174.600 0.179 0.000 1.135 262 S CA 0.325 58.719 58.200 0.323 0.000 0.858 262 S CB 1.644 65.136 63.200 0.488 0.000 1.114 262 S HN 1.034 nan 8.310 nan 0.000 0.468 263 S N 2.249 118.012 115.700 0.105 0.000 2.486 263 S HA 0.276 4.756 4.470 0.016 0.000 0.220 263 S C 0.335 174.891 174.600 -0.073 0.000 1.011 263 S CA -0.017 58.192 58.200 0.016 0.000 0.921 263 S CB -0.317 62.895 63.200 0.020 0.000 0.785 263 S HN 0.584 nan 8.310 nan 0.000 0.517 264 K N 1.453 121.828 120.400 -0.042 0.000 2.219 264 K HA 0.353 4.682 4.320 0.016 0.000 0.258 264 K C 0.589 176.897 176.600 -0.487 0.000 1.008 264 K CA -0.092 56.121 56.287 -0.124 0.000 0.928 264 K CB 0.324 32.846 32.500 0.038 0.000 0.983 264 K HN -0.033 nan 8.250 nan 0.000 0.484 265 R N 1.716 121.877 120.500 -0.565 0.000 2.642 265 R HA 0.079 4.429 4.340 0.016 0.000 0.435 265 R C -0.847 175.197 176.300 -0.427 0.000 1.046 265 R CA -0.265 55.168 56.100 -1.112 0.000 1.103 265 R CB 0.080 29.903 30.300 -0.795 0.000 1.425 265 R HN 0.797 nan 8.270 nan 0.000 0.586 266 E N -0.272 119.922 120.200 -0.009 0.000 2.256 266 E HA 0.712 5.072 4.350 0.016 0.000 0.268 266 E C -1.476 175.406 176.600 0.469 0.000 0.877 266 E CA -0.861 55.714 56.400 0.292 0.000 0.757 266 E CB 2.060 31.873 29.700 0.187 0.000 1.183 266 E HN 0.048 nan 8.360 nan 0.000 0.418 267 A N 2.453 125.545 122.820 0.454 0.000 2.393 267 A HA 0.860 5.190 4.320 0.016 0.000 0.306 267 A C -0.800 176.824 177.584 0.068 0.000 1.050 267 A CA -0.534 51.676 52.037 0.287 0.000 0.724 267 A CB 1.583 20.660 19.000 0.129 0.000 1.248 267 A HN 0.941 nan 8.150 nan 0.000 0.424 268 A N 2.274 125.026 122.820 -0.113 0.000 2.290 268 A HA 0.723 5.052 4.320 0.016 0.000 0.310 268 A C -0.406 177.085 177.584 -0.156 0.000 1.202 268 A CA -0.336 51.507 52.037 -0.324 0.000 0.837 268 A CB 0.075 18.655 19.000 -0.701 0.000 1.139 268 A HN 0.730 nan 8.150 nan 0.000 0.509 269 I N 3.369 123.869 120.570 -0.117 0.000 2.404 269 I HA 0.296 4.476 4.170 0.016 0.000 0.293 269 I C -0.715 175.399 176.117 -0.006 0.000 0.992 269 I CA -0.666 60.586 61.300 -0.079 0.000 1.149 269 I CB 1.647 39.595 38.000 -0.087 0.000 1.315 269 I HN 0.393 nan 8.210 nan 0.000 0.446 270 I N 5.466 126.031 120.570 -0.009 0.000 2.306 270 I HA 0.595 4.775 4.170 0.016 0.000 0.288 270 I C 0.644 176.789 176.117 0.046 0.000 1.036 270 I CA 0.123 61.460 61.300 0.061 0.000 1.221 270 I CB 0.059 38.056 38.000 -0.004 0.000 1.385 270 I HN 0.873 nan 8.210 nan 0.000 0.472 271 G N 3.591 112.427 108.800 0.059 0.000 2.619 271 G HA2 0.528 4.498 3.960 0.016 0.000 0.146 271 G HA3 0.528 4.498 3.960 0.016 0.000 0.146 271 G C 0.117 175.045 174.900 0.046 0.000 1.192 271 G CA 0.373 45.487 45.100 0.024 0.000 1.063 271 G HN 0.816 nan 8.290 nan 0.000 0.538 272 G N -1.552 107.262 108.800 0.023 0.000 2.425 272 G HA2 0.421 4.391 3.960 0.016 0.000 0.177 272 G HA3 0.421 4.391 3.960 0.016 0.000 0.177 272 G C 0.702 175.630 174.900 0.046 0.000 0.999 272 G CA 0.883 46.024 45.100 0.069 0.000 0.723 272 G HN 1.784 nan 8.290 nan 0.000 0.491 273 G N -0.287 108.511 108.800 -0.003 0.000 2.642 273 G HA2 0.575 4.544 3.960 0.016 0.000 0.291 273 G HA3 0.575 4.544 3.960 0.016 0.000 0.291 273 G C 1.064 175.929 174.900 -0.059 0.000 1.345 273 G CA 0.029 45.117 45.100 -0.020 0.000 1.043 273 G HN 0.559 nan 8.290 nan 0.000 0.528 274 I N 0.447 120.979 120.570 -0.063 0.000 2.264 274 I HA -0.131 4.048 4.170 0.016 0.000 0.248 274 I C 2.794 178.818 176.117 -0.154 0.000 1.111 274 I CA 2.183 63.448 61.300 -0.058 0.000 1.382 274 I CB -0.333 37.660 38.000 -0.012 0.000 1.060 274 I HN 0.437 nan 8.210 nan 0.000 0.418 275 A N -0.183 122.420 122.820 -0.362 0.000 1.858 275 A HA -0.230 4.100 4.320 0.016 0.000 0.216 275 A C 2.516 179.789 177.584 -0.519 0.000 1.190 275 A CA 2.434 53.943 52.037 -0.882 0.000 0.617 275 A CB -1.431 16.693 19.000 -1.461 0.000 0.827 275 A HN 0.602 nan 8.150 nan 0.000 0.443 276 S N 0.200 115.717 115.700 -0.305 0.000 2.399 276 S HA 0.020 4.500 4.470 0.016 0.000 0.231 276 S C 2.029 176.589 174.600 -0.065 0.000 1.022 276 S CA 1.406 59.528 58.200 -0.130 0.000 0.983 276 S CB -0.624 62.521 63.200 -0.093 0.000 0.803 276 S HN 0.894 nan 8.310 nan 0.000 0.480 277 A N 1.456 124.243 122.820 -0.055 0.000 1.897 277 A HA 0.214 4.544 4.320 0.016 0.000 0.215 277 A C 2.166 179.773 177.584 0.037 0.000 1.181 277 A CA 1.200 53.235 52.037 -0.003 0.000 0.620 277 A CB -0.650 18.358 19.000 0.013 0.000 0.821 277 A HN 0.461 nan 8.150 nan 0.000 0.443 278 L N -0.505 120.748 121.223 0.050 0.000 2.179 278 L HA 0.066 4.416 4.340 0.016 0.000 0.208 278 L C 2.273 179.191 176.870 0.081 0.000 1.096 278 L CA 0.902 55.802 54.840 0.100 0.000 0.779 278 L CB -0.773 41.326 42.059 0.067 0.000 0.922 278 L HN 0.391 nan 8.230 nan 0.000 0.443 279 L N -1.328 119.954 121.223 0.099 0.000 2.046 279 L HA -0.239 4.110 4.340 0.016 0.000 0.208 279 L C 2.445 179.291 176.870 -0.039 0.000 1.077 279 L CA 1.267 56.140 54.840 0.055 0.000 0.747 279 L CB -0.152 41.978 42.059 0.118 0.000 0.896 279 L HN 0.285 nan 8.230 nan 0.000 0.432 280 S N 0.107 115.791 115.700 -0.026 0.000 2.359 280 S HA -0.218 4.261 4.470 0.016 0.000 0.223 280 S C 1.802 176.394 174.600 -0.013 0.000 1.039 280 S CA 1.299 59.474 58.200 -0.042 0.000 1.042 280 S CB -0.324 62.858 63.200 -0.030 0.000 0.915 280 S HN 0.214 nan 8.310 nan 0.000 0.439 281 L N 1.567 122.810 121.223 0.033 0.000 2.013 281 L HA -0.110 4.239 4.340 0.016 0.000 0.212 281 L C 2.614 179.519 176.870 0.058 0.000 1.073 281 L CA 1.937 56.819 54.840 0.070 0.000 0.753 281 L CB -1.302 40.842 42.059 0.142 0.000 0.890 281 L HN 0.335 nan 8.230 nan 0.000 0.432 282 A N -1.450 121.388 122.820 0.031 0.000 2.015 282 A HA -0.105 4.224 4.320 0.016 0.000 0.219 282 A C 2.275 179.826 177.584 -0.054 0.000 1.163 282 A CA 1.384 53.419 52.037 -0.003 0.000 0.646 282 A CB -0.532 18.434 19.000 -0.056 0.000 0.806 282 A HN 0.418 nan 8.150 nan 0.000 0.448 283 L N -1.233 119.916 121.223 -0.123 0.000 2.202 283 L HA 0.031 4.380 4.340 0.016 0.000 0.205 283 L C 2.330 179.229 176.870 0.047 0.000 1.083 283 L CA 0.408 55.120 54.840 -0.214 0.000 0.790 283 L CB -0.360 41.401 42.059 -0.498 0.000 0.942 283 L HN 0.309 nan 8.230 nan 0.000 0.452 284 L N 0.284 121.539 121.223 0.053 0.000 2.141 284 L HA -0.151 4.198 4.340 0.016 0.000 0.209 284 L C 2.715 179.652 176.870 0.111 0.000 1.094 284 L CA 1.063 55.963 54.840 0.100 0.000 0.763 284 L CB -0.456 41.640 42.059 0.063 0.000 0.908 284 L HN 0.345 nan 8.230 nan 0.000 0.437 285 R N 0.309 120.868 120.500 0.098 0.000 2.316 285 R HA -0.081 4.269 4.340 0.016 0.000 0.202 285 R C 1.537 177.910 176.300 0.122 0.000 1.029 285 R CA 0.822 56.983 56.100 0.101 0.000 1.018 285 R CB -0.198 30.159 30.300 0.094 0.000 0.888 285 R HN 0.293 nan 8.270 nan 0.000 0.471 286 R N 0.147 120.746 120.500 0.164 0.000 2.432 286 R HA 0.164 4.514 4.340 0.016 0.000 0.260 286 R C 0.243 176.653 176.300 0.184 0.000 0.935 286 R CA 0.384 56.601 56.100 0.196 0.000 1.080 286 R CB 1.155 31.632 30.300 0.294 0.000 1.155 286 R HN 0.461 nan 8.270 nan 0.000 0.531 287 G N 1.114 110.013 108.800 0.165 0.000 2.221 287 G HA2 -0.253 3.717 3.960 0.016 0.000 0.265 287 G HA3 -0.253 3.717 3.960 0.016 0.000 0.265 287 G C -0.475 174.495 174.900 0.117 0.000 1.041 287 G CA -0.122 45.044 45.100 0.110 0.000 0.807 287 G HN 0.252 nan 8.290 nan 0.000 0.502 288 W N -0.190 121.111 121.300 0.002 0.000 2.184 288 W HA 0.571 5.241 4.660 0.016 0.000 0.338 288 W C 0.807 177.332 176.519 0.009 0.000 1.257 288 W CA -0.417 56.930 57.345 0.003 0.000 1.243 288 W CB 0.661 30.117 29.460 -0.007 0.000 1.122 288 W HN 0.052 nan 8.180 nan 0.000 0.585 289 Q N 1.907 121.859 119.800 0.253 0.000 2.295 289 Q HA 0.301 4.651 4.340 0.016 0.000 0.259 289 Q C -0.860 175.279 176.000 0.232 0.000 0.976 289 Q CA -0.208 55.708 55.803 0.188 0.000 0.923 289 Q CB 1.160 29.980 28.738 0.137 0.000 1.185 289 Q HN 0.267 nan 8.270 nan 0.000 0.410 290 V N 2.628 122.624 119.914 0.137 0.000 2.531 290 V HA 0.479 4.609 4.120 0.016 0.000 0.301 290 V C -0.056 176.036 176.094 -0.003 0.000 1.034 290 V CA -0.755 61.588 62.300 0.071 0.000 0.865 290 V CB 2.118 33.949 31.823 0.014 0.000 0.995 290 V HN 0.644 nan 8.190 nan 0.000 0.424 291 T N 5.720 120.245 114.554 -0.049 0.000 2.797 291 T HA 0.651 5.011 4.350 0.016 0.000 0.279 291 T C -0.733 173.784 174.700 -0.304 0.000 0.991 291 T CA -0.277 61.721 62.100 -0.169 0.000 0.979 291 T CB 1.505 70.302 68.868 -0.119 0.000 0.943 291 T HN 0.508 nan 8.240 nan 0.000 0.444 292 L N 4.211 125.209 121.223 -0.376 0.000 2.313 292 L HA 0.605 4.955 4.340 0.016 0.000 0.283 292 L C -1.669 174.914 176.870 -0.479 0.000 1.013 292 L CA -0.578 54.057 54.840 -0.342 0.000 0.816 292 L CB 0.563 42.475 42.059 -0.244 0.000 1.236 292 L HN 0.597 nan 8.230 nan 0.000 0.419 293 Y N 4.099 124.350 120.300 -0.082 0.000 2.360 293 Y HA 0.575 5.135 4.550 0.016 0.000 0.337 293 Y C 0.024 175.926 175.900 0.004 0.000 1.039 293 Y CA -0.257 57.812 58.100 -0.051 0.000 1.109 293 Y CB 1.821 40.308 38.460 0.045 0.000 1.201 293 Y HN 0.688 nan 8.280 nan 0.000 0.458 294 C N 2.539 121.944 119.300 0.175 0.000 2.431 294 C HA 0.707 5.177 4.460 0.016 0.000 0.321 294 C C 1.304 176.466 174.990 0.286 0.000 1.202 294 C CA -0.308 58.835 59.018 0.208 0.000 1.398 294 C CB 0.008 27.878 27.740 0.215 0.000 2.047 294 C HN 1.049 nan 8.230 nan 0.000 0.465 295 A N 3.505 126.472 122.820 0.244 0.000 1.972 295 A HA 0.044 4.374 4.320 0.016 0.000 0.219 295 A C 0.853 178.557 177.584 0.200 0.000 1.169 295 A CA 1.431 53.598 52.037 0.216 0.000 0.635 295 A CB -0.290 18.808 19.000 0.164 0.000 0.810 295 A HN 0.910 nan 8.150 nan 0.000 0.446 296 D N -1.366 119.157 120.400 0.204 0.000 2.423 296 D HA 0.218 4.868 4.640 0.016 0.000 0.255 296 D C 0.859 177.253 176.300 0.157 0.000 1.174 296 D CA -0.315 53.776 54.000 0.152 0.000 1.008 296 D CB 0.498 41.365 40.800 0.113 0.000 1.101 296 D HN 0.322 nan 8.370 nan 0.000 0.516 297 E N -0.880 119.345 120.200 0.040 0.000 2.274 297 E HA 0.089 4.449 4.350 0.016 0.000 0.194 297 E C -0.233 176.148 176.600 -0.364 0.000 0.996 297 E CA 0.370 56.734 56.400 -0.060 0.000 0.840 297 E CB 0.323 29.990 29.700 -0.055 0.000 0.772 297 E HN 0.421 nan 8.360 nan 0.000 0.491 298 A N 0.274 122.885 122.820 -0.349 0.000 2.602 298 A HA 0.531 4.861 4.320 0.016 0.000 0.290 298 A C -2.757 174.729 177.584 -0.163 0.000 1.114 298 A CA -1.322 50.363 52.037 -0.587 0.000 0.683 298 A CB 1.342 20.143 19.000 -0.331 0.000 1.281 298 A HN -0.087 nan 8.150 nan 0.000 0.416 299 P HA 0.502 nan 4.420 nan 0.000 0.279 299 P C 0.204 177.538 177.300 0.057 0.000 1.276 299 P CA 1.207 64.387 63.100 0.133 0.000 0.801 299 P CB 1.193 33.005 31.700 0.186 0.000 1.127 300 A N 0.254 123.112 122.820 0.064 0.000 2.791 300 A HA -0.147 4.182 4.320 0.016 0.000 0.292 300 A C 0.593 178.200 177.584 0.038 0.000 1.487 300 A CA 0.925 52.989 52.037 0.045 0.000 0.760 300 A CB -2.613 16.410 19.000 0.037 0.000 1.031 300 A HN 0.487 nan 8.150 nan 0.000 0.503 301 L N -1.393 119.858 121.223 0.047 0.000 2.693 301 L HA 0.303 4.653 4.340 0.016 0.000 0.235 301 L C 1.789 178.695 176.870 0.060 0.000 1.127 301 L CA 0.296 55.162 54.840 0.043 0.000 0.914 301 L CB 0.036 42.117 42.059 0.038 0.000 1.193 301 L HN 0.643 nan 8.230 nan 0.000 0.502 302 G N -0.210 108.632 108.800 0.069 0.000 2.975 302 G HA2 0.301 4.270 3.960 0.016 0.000 0.159 302 G HA3 0.301 4.270 3.960 0.016 0.000 0.159 302 G C 1.088 176.028 174.900 0.066 0.000 1.525 302 G CA 0.465 45.618 45.100 0.088 0.000 1.075 302 G HN 0.109 nan 8.290 nan 0.000 0.574 303 A N -0.765 122.095 122.820 0.067 0.000 2.119 303 A HA 0.232 4.562 4.320 0.016 0.000 0.216 303 A C 2.134 179.749 177.584 0.052 0.000 1.152 303 A CA 1.612 53.680 52.037 0.051 0.000 0.708 303 A CB -0.200 18.828 19.000 0.047 0.000 0.805 303 A HN 0.328 nan 8.150 nan 0.000 0.460 304 S N -0.254 115.473 115.700 0.046 0.000 2.671 304 S HA 0.178 4.658 4.470 0.016 0.000 0.220 304 S C 1.374 176.003 174.600 0.048 0.000 0.951 304 S CA 0.419 58.645 58.200 0.044 0.000 0.932 304 S CB 0.093 63.309 63.200 0.027 0.000 0.777 304 S HN 0.672 nan 8.310 nan 0.000 0.508 305 G N 1.295 110.124 108.800 0.048 0.000 3.337 305 G HA2 0.166 4.135 3.960 0.016 0.000 0.246 305 G HA3 0.166 4.135 3.960 0.016 0.000 0.246 305 G C 0.146 175.070 174.900 0.039 0.000 1.131 305 G CA -0.580 44.544 45.100 0.040 0.000 0.773 305 G HN 0.387 nan 8.290 nan 0.000 0.544 306 N N -0.251 118.485 118.700 0.061 0.000 2.326 306 N HA 0.191 4.941 4.740 0.016 0.000 0.239 306 N C 1.323 176.869 175.510 0.060 0.000 1.301 306 N CA -0.288 52.802 53.050 0.068 0.000 0.909 306 N CB 0.797 39.355 38.487 0.118 0.000 1.156 306 N HN 0.009 nan 8.380 nan 0.000 0.462 307 R N 0.530 121.053 120.500 0.038 0.000 2.140 307 R HA 0.069 4.419 4.340 0.016 0.000 0.213 307 R C -0.046 176.309 176.300 0.092 0.000 1.059 307 R CA 0.900 57.017 56.100 0.029 0.000 1.000 307 R CB 0.168 30.427 30.300 -0.068 0.000 0.910 307 R HN 0.599 nan 8.270 nan 0.000 0.455 308 Q N -0.105 119.765 119.800 0.117 0.000 2.309 308 Q HA 0.378 4.728 4.340 0.016 0.000 0.254 308 Q C -1.196 174.946 176.000 0.238 0.000 0.938 308 Q CA -0.493 55.397 55.803 0.144 0.000 0.789 308 Q CB 2.550 31.221 28.738 -0.113 0.000 1.313 308 Q HN 0.217 nan 8.270 nan 0.000 0.438 309 G N 0.760 109.730 108.800 0.284 0.000 2.453 309 G HA2 0.755 4.725 3.960 0.016 0.000 0.323 309 G HA3 0.755 4.725 3.960 0.016 0.000 0.323 309 G C -0.938 174.115 174.900 0.254 0.000 1.198 309 G CA -0.512 44.723 45.100 0.225 0.000 0.959 309 G HN 0.580 nan 8.290 nan 0.000 0.482 310 A N 0.276 123.168 122.820 0.120 0.000 2.316 310 A HA 0.685 5.015 4.320 0.016 0.000 0.284 310 A C -0.719 177.020 177.584 0.259 0.000 1.115 310 A CA -0.419 51.741 52.037 0.206 0.000 0.812 310 A CB 1.253 20.301 19.000 0.080 0.000 1.064 310 A HN 1.207 nan 8.150 nan 0.000 0.489 311 L N 3.135 124.569 121.223 0.353 0.000 2.377 311 L HA 0.715 5.064 4.340 0.016 0.000 0.270 311 L C -1.198 175.854 176.870 0.305 0.000 0.991 311 L CA -0.270 54.770 54.840 0.332 0.000 0.851 311 L CB 0.795 43.107 42.059 0.422 0.000 1.218 311 L HN 0.774 nan 8.230 nan 0.000 0.420 312 Y N 3.597 123.771 120.300 -0.211 0.000 2.656 312 Y HA 0.937 5.497 4.550 0.016 0.000 0.334 312 Y C -3.195 172.223 175.900 -0.803 0.000 1.179 312 Y CA -2.387 55.256 58.100 -0.763 0.000 1.050 312 Y CB 0.857 38.857 38.460 -0.767 0.000 1.308 312 Y HN 0.387 nan 8.280 nan 0.000 0.456 313 P HA 0.311 nan 4.420 nan 0.000 0.293 313 P C -1.237 175.621 177.300 -0.736 0.000 1.291 313 P CA -0.420 62.265 63.100 -0.692 0.000 0.867 313 P CB 2.430 33.882 31.700 -0.413 0.000 1.074 314 L N 3.720 124.437 121.223 -0.843 0.000 2.363 314 L HA 0.209 4.559 4.340 0.016 0.000 0.286 314 L C -0.439 176.223 176.870 -0.348 0.000 1.106 314 L CA 0.056 54.455 54.840 -0.734 0.000 0.859 314 L CB -1.106 40.274 42.059 -1.132 0.000 1.223 314 L HN 0.206 nan 8.230 nan 0.000 0.446 315 L N 3.923 125.038 121.223 -0.181 0.000 2.399 315 L HA 0.610 4.960 4.340 0.016 0.000 0.266 315 L C 0.441 177.253 176.870 -0.097 0.000 1.114 315 L CA -0.312 54.482 54.840 -0.078 0.000 0.804 315 L CB 1.397 43.441 42.059 -0.025 0.000 1.146 315 L HN 0.709 nan 8.230 nan 0.000 0.451 316 S N 0.440 116.087 115.700 -0.087 0.000 2.543 316 S HA 0.258 4.738 4.470 0.016 0.000 0.271 316 S C 0.077 174.579 174.600 -0.163 0.000 1.148 316 S CA -0.796 57.337 58.200 -0.111 0.000 0.914 316 S CB 1.949 65.125 63.200 -0.039 0.000 1.096 316 S HN 0.721 nan 8.310 nan 0.000 0.471 317 K N 1.262 121.490 120.400 -0.287 0.000 2.243 317 K HA 0.048 4.378 4.320 0.016 0.000 0.201 317 K C 0.974 177.432 176.600 -0.236 0.000 1.051 317 K CA 0.980 57.050 56.287 -0.361 0.000 0.970 317 K CB -0.085 32.089 32.500 -0.544 0.000 0.755 317 K HN 0.720 nan 8.250 nan 0.000 0.465 318 H N -0.752 118.341 119.070 0.038 0.000 2.476 318 H HA 0.051 4.618 4.556 0.018 0.000 0.292 318 H C 0.160 175.536 175.328 0.080 0.000 1.019 318 H CA 0.279 56.365 56.048 0.063 0.000 1.330 318 H CB -0.017 29.777 29.762 0.054 0.000 1.451 318 H HN 0.072 nan 8.280 nan 0.000 0.535 319 D N 1.863 122.366 120.400 0.172 0.000 2.402 319 D HA 0.004 4.653 4.640 0.016 0.000 0.235 319 D C 1.110 177.498 176.300 0.147 0.000 1.226 319 D CA 0.059 54.150 54.000 0.151 0.000 0.918 319 D CB 1.001 41.889 40.800 0.148 0.000 1.043 319 D HN 0.148 nan 8.370 nan 0.000 0.506 320 E N 2.623 122.914 120.200 0.151 0.000 2.085 320 E HA -0.183 4.177 4.350 0.016 0.000 0.194 320 E C 1.729 178.418 176.600 0.149 0.000 0.994 320 E CA 1.543 58.041 56.400 0.163 0.000 0.801 320 E CB 0.130 29.911 29.700 0.135 0.000 0.743 320 E HN 0.536 nan 8.360 nan 0.000 0.453 321 A N -0.104 122.789 122.820 0.121 0.000 1.970 321 A HA -0.039 4.291 4.320 0.016 0.000 0.216 321 A C 2.099 179.780 177.584 0.161 0.000 1.170 321 A CA 1.024 53.125 52.037 0.106 0.000 0.645 321 A CB -0.530 18.499 19.000 0.048 0.000 0.816 321 A HN 0.348 nan 8.150 nan 0.000 0.447 322 L N 0.488 121.824 121.223 0.189 0.000 2.056 322 L HA -0.134 4.216 4.340 0.016 0.000 0.207 322 L C 1.967 179.048 176.870 0.352 0.000 1.078 322 L CA 2.605 57.626 54.840 0.301 0.000 0.749 322 L CB -0.712 41.505 42.059 0.263 0.000 0.901 322 L HN 0.472 nan 8.230 nan 0.000 0.433 323 N N -0.660 118.176 118.700 0.227 0.000 2.120 323 N HA -0.262 4.488 4.740 0.016 0.000 0.188 323 N C 2.055 177.684 175.510 0.198 0.000 1.024 323 N CA 1.236 54.399 53.050 0.188 0.000 0.852 323 N CB -0.160 38.407 38.487 0.132 0.000 1.003 323 N HN 0.188 nan 8.380 nan 0.000 0.424 324 R N -0.296 120.315 120.500 0.186 0.000 2.092 324 R HA -0.038 4.311 4.340 0.016 0.000 0.231 324 R C 1.870 178.217 176.300 0.078 0.000 1.119 324 R CA 1.183 57.360 56.100 0.129 0.000 0.970 324 R CB -1.151 29.210 30.300 0.102 0.000 0.864 324 R HN 0.378 nan 8.270 nan 0.000 0.440 325 F N -0.298 119.647 119.950 -0.009 0.000 2.075 325 F HA -0.075 4.462 4.527 0.017 0.000 0.297 325 F C 1.596 177.309 175.800 -0.145 0.000 1.113 325 F CA 1.513 59.433 58.000 -0.134 0.000 1.218 325 F CB -0.597 38.270 39.000 -0.221 0.000 0.984 325 F HN 0.010 nan 8.300 nan 0.000 0.472 326 F N 0.525 120.376 119.950 -0.164 0.000 2.186 326 F HA -0.132 4.404 4.527 0.014 0.000 0.299 326 F C 2.677 178.372 175.800 -0.175 0.000 1.090 326 F CA 1.582 59.428 58.000 -0.256 0.000 1.307 326 F CB -1.007 37.946 39.000 -0.079 0.000 1.019 326 F HN -0.084 nan 8.300 nan 0.000 0.489 327 S N 0.260 116.020 115.700 0.100 0.000 2.359 327 S HA -0.208 4.272 4.470 0.016 0.000 0.224 327 S C 1.712 176.356 174.600 0.073 0.000 1.035 327 S CA 1.683 59.958 58.200 0.125 0.000 1.018 327 S CB -0.454 62.827 63.200 0.136 0.000 0.876 327 S HN 0.361 nan 8.310 nan 0.000 0.448 328 N N 1.561 120.227 118.700 -0.057 0.000 2.300 328 N HA 0.175 4.925 4.740 0.016 0.000 0.179 328 N C 1.673 177.066 175.510 -0.194 0.000 1.016 328 N CA 0.981 53.972 53.050 -0.098 0.000 0.876 328 N CB -0.558 37.807 38.487 -0.204 0.000 0.979 328 N HN 0.408 nan 8.380 nan 0.000 0.432 329 A N 0.382 122.953 122.820 -0.415 0.000 1.898 329 A HA -0.083 4.247 4.320 0.016 0.000 0.216 329 A C 2.024 179.522 177.584 -0.143 0.000 1.181 329 A CA 0.771 52.534 52.037 -0.457 0.000 0.620 329 A CB -0.906 17.473 19.000 -1.034 0.000 0.819 329 A HN 0.266 nan 8.150 nan 0.000 0.442 330 F N 2.246 122.071 119.950 -0.208 0.000 2.069 330 F HA -0.227 4.310 4.527 0.016 0.000 0.298 330 F C 2.691 178.420 175.800 -0.118 0.000 1.113 330 F CA 2.599 60.531 58.000 -0.114 0.000 1.214 330 F CB -0.938 38.023 39.000 -0.066 0.000 0.978 330 F HN 0.333 nan 8.300 nan 0.000 0.474 331 T N -1.962 112.387 114.554 -0.342 0.000 2.904 331 T HA -0.199 4.160 4.350 0.016 0.000 0.267 331 T C 2.007 176.493 174.700 -0.358 0.000 1.059 331 T CA 1.161 62.974 62.100 -0.479 0.000 1.137 331 T CB -1.400 67.303 68.868 -0.275 0.000 0.879 331 T HN 0.363 nan 8.240 nan 0.000 0.467 332 F N 2.470 122.220 119.950 -0.333 0.000 2.146 332 F HA 0.190 4.727 4.527 0.016 0.000 0.298 332 F C 2.615 178.218 175.800 -0.329 0.000 1.096 332 F CA 0.904 58.722 58.000 -0.303 0.000 1.275 332 F CB -0.618 38.199 39.000 -0.304 0.000 1.008 332 F HN 0.258 nan 8.300 nan 0.000 0.480 333 A N 0.728 123.327 122.820 -0.367 0.000 1.908 333 A HA -0.184 4.146 4.320 0.016 0.000 0.218 333 A C 2.311 179.541 177.584 -0.590 0.000 1.181 333 A CA 1.445 53.173 52.037 -0.515 0.000 0.627 333 A CB -0.628 18.242 19.000 -0.217 0.000 0.818 333 A HN 0.304 nan 8.150 nan 0.000 0.445 334 R N -0.263 119.893 120.500 -0.574 0.000 2.075 334 R HA -0.036 4.314 4.340 0.016 0.000 0.232 334 R C 2.339 178.368 176.300 -0.451 0.000 1.126 334 R CA 1.461 57.192 56.100 -0.614 0.000 0.963 334 R CB -0.611 29.211 30.300 -0.798 0.000 0.858 334 R HN 0.610 nan 8.270 nan 0.000 0.435 335 R N -0.680 119.551 120.500 -0.448 0.000 2.073 335 R HA -0.135 4.214 4.340 0.016 0.000 0.234 335 R C 2.263 178.358 176.300 -0.341 0.000 1.134 335 R CA 1.574 57.466 56.100 -0.347 0.000 0.952 335 R CB -0.611 29.482 30.300 -0.345 0.000 0.850 335 R HN 0.159 nan 8.270 nan 0.000 0.433 336 F N 0.873 120.376 119.950 -0.745 0.000 2.069 336 F HA -0.285 4.252 4.527 0.017 0.000 0.298 336 F C 1.864 177.466 175.800 -0.329 0.000 1.113 336 F CA 1.528 59.121 58.000 -0.678 0.000 1.214 336 F CB -0.347 38.028 39.000 -1.040 0.000 0.978 336 F HN -0.059 nan 8.300 nan 0.000 0.474 337 Y N 0.764 120.992 120.300 -0.120 0.000 2.224 337 Y HA -0.194 4.365 4.550 0.016 0.000 0.289 337 Y C 2.423 178.372 175.900 0.081 0.000 1.146 337 Y CA 1.256 59.357 58.100 0.002 0.000 1.182 337 Y CB -1.309 37.293 38.460 0.237 0.000 0.983 337 Y HN 0.118 nan 8.280 nan 0.000 0.524 338 D N -0.489 120.004 120.400 0.155 0.000 2.144 338 D HA -0.171 4.479 4.640 0.016 0.000 0.199 338 D C 2.168 178.486 176.300 0.030 0.000 0.984 338 D CA 1.348 55.427 54.000 0.132 0.000 0.834 338 D CB -0.224 40.613 40.800 0.062 0.000 0.955 338 D HN 0.383 nan 8.370 nan 0.000 0.465 339 Q N 0.581 120.332 119.800 -0.081 0.000 2.398 339 Q HA -0.064 4.286 4.340 0.016 0.000 0.204 339 Q C 0.459 176.377 176.000 -0.137 0.000 0.932 339 Q CA -0.181 55.561 55.803 -0.102 0.000 0.916 339 Q CB -0.201 28.459 28.738 -0.130 0.000 1.024 339 Q HN 0.174 nan 8.270 nan 0.000 0.504 340 L N 4.750 125.849 121.223 -0.207 0.000 2.500 340 L HA 0.138 4.488 4.340 0.016 0.000 0.272 340 L C -2.044 174.810 176.870 -0.027 0.000 1.149 340 L CA -1.102 53.609 54.840 -0.214 0.000 0.897 340 L CB 0.751 42.662 42.059 -0.248 0.000 1.178 340 L HN 0.011 nan 8.230 nan 0.000 0.473 341 P HA 0.131 nan 4.420 nan 0.000 0.230 341 P C -0.968 176.359 177.300 0.045 0.000 1.791 341 P CA 0.145 63.252 63.100 0.013 0.000 1.020 341 P CB 0.219 31.922 31.700 0.004 0.000 1.977 342 V N 0.607 120.581 119.914 0.099 0.000 2.891 342 V HA 0.506 4.635 4.120 0.016 0.000 0.304 342 V C 0.088 176.311 176.094 0.214 0.000 1.171 342 V CA -0.877 61.509 62.300 0.144 0.000 0.943 342 V CB 2.317 34.229 31.823 0.149 0.000 1.037 342 V HN 0.284 nan 8.190 nan 0.000 0.427 343 K N 4.058 124.547 120.400 0.147 0.000 2.276 343 K HA 0.815 5.145 4.320 0.016 0.000 0.283 343 K C -0.965 175.775 176.600 0.234 0.000 1.044 343 K CA -0.038 56.302 56.287 0.088 0.000 0.944 343 K CB 0.813 33.331 32.500 0.031 0.000 1.012 343 K HN 1.225 nan 8.250 nan 0.000 0.472 344 F N -1.000 118.973 119.950 0.038 0.000 2.635 344 F HA 0.422 4.959 4.527 0.016 0.000 0.314 344 F C -1.145 174.721 175.800 0.111 0.000 1.119 344 F CA -1.912 56.118 58.000 0.049 0.000 1.000 344 F CB 0.965 39.967 39.000 0.002 0.000 1.278 344 F HN 0.409 nan 8.300 nan 0.000 0.446 345 D N 4.011 124.501 120.400 0.151 0.000 2.450 345 D HA 0.207 4.857 4.640 0.016 0.000 0.247 345 D C -0.016 176.290 176.300 0.010 0.000 1.162 345 D CA 1.148 55.187 54.000 0.065 0.000 0.879 345 D CB 0.172 41.133 40.800 0.269 0.000 1.163 345 D HN 0.796 nan 8.370 nan 0.000 0.472 346 H N -0.268 118.371 119.070 -0.718 0.000 2.981 346 H HA 0.669 5.235 4.556 0.016 0.000 0.327 346 H C -1.611 172.711 175.328 -1.676 0.000 1.342 346 H CA -1.054 54.221 56.048 -1.288 0.000 1.123 346 H CB 1.725 30.851 29.762 -1.061 0.000 1.851 346 H HN 0.228 nan 8.280 nan 0.000 0.531 347 D N 0.285 119.570 120.400 -1.859 0.000 2.931 347 D HA 0.216 4.865 4.640 0.016 0.000 0.215 347 D C -1.574 174.331 176.300 -0.657 0.000 1.297 347 D CA -0.273 52.980 54.000 -1.245 0.000 0.892 347 D CB 1.092 41.355 40.800 -0.896 0.000 1.642 347 D HN 0.543 nan 8.370 nan 0.000 0.560 348 W N 4.542 125.741 121.300 -0.168 0.000 1.738 348 W HA 0.246 4.916 4.660 0.016 0.000 0.399 348 W C 1.347 177.866 176.519 -0.000 0.000 0.744 348 W CA -0.982 56.346 57.345 -0.027 0.000 1.695 348 W CB 0.208 29.689 29.460 0.035 0.000 1.820 348 W HN 0.516 nan 8.180 nan 0.000 0.262 349 C N -0.410 119.007 119.300 0.196 0.000 2.799 349 C HA 0.690 5.159 4.460 0.016 0.000 0.267 349 C C 1.232 176.326 174.990 0.172 0.000 1.257 349 C CA 0.161 59.266 59.018 0.145 0.000 1.702 349 C CB -0.945 26.878 27.740 0.137 0.000 1.934 349 C HN 0.759 nan 8.230 nan 0.000 0.594 350 G N 0.088 109.025 108.800 0.229 0.000 2.675 350 G HA2 0.198 4.168 3.960 0.016 0.000 0.686 350 G HA3 0.198 4.168 3.960 0.016 0.000 0.686 350 G C -1.170 173.854 174.900 0.207 0.000 1.215 350 G CA -0.267 44.961 45.100 0.214 0.000 0.777 350 G HN 0.874 nan 8.290 nan 0.000 0.638 351 V N 1.307 121.347 119.914 0.210 0.000 2.531 351 V HA 0.782 4.911 4.120 0.016 0.000 0.301 351 V C 0.321 176.501 176.094 0.143 0.000 1.034 351 V CA -0.380 62.011 62.300 0.152 0.000 0.865 351 V CB 2.141 34.004 31.823 0.066 0.000 0.995 351 V HN 1.064 nan 8.190 nan 0.000 0.424 352 T N 4.673 119.271 114.554 0.073 0.000 2.786 352 T HA 0.415 4.775 4.350 0.016 0.000 0.283 352 T C -0.516 174.226 174.700 0.069 0.000 0.992 352 T CA -0.292 61.834 62.100 0.043 0.000 0.954 352 T CB 1.396 70.280 68.868 0.027 0.000 0.934 352 T HN 0.716 nan 8.240 nan 0.000 0.440 353 Q N 3.238 123.078 119.800 0.067 0.000 2.257 353 Q HA 0.634 4.983 4.340 0.016 0.000 0.255 353 Q C -1.336 174.768 176.000 0.174 0.000 0.920 353 Q CA -0.659 55.222 55.803 0.130 0.000 0.927 353 Q CB 0.742 29.570 28.738 0.148 0.000 1.229 353 Q HN 0.560 nan 8.270 nan 0.000 0.433 354 L N 2.039 123.454 121.223 0.320 0.000 2.329 354 L HA 0.538 4.887 4.340 0.016 0.000 0.279 354 L C 0.514 177.625 176.870 0.403 0.000 1.014 354 L CA -0.730 54.341 54.840 0.384 0.000 0.814 354 L CB 1.924 44.328 42.059 0.574 0.000 1.257 354 L HN 0.803 nan 8.230 nan 0.000 0.424 355 G N 2.016 110.961 108.800 0.242 0.000 3.064 355 G HA2 0.059 4.028 3.960 0.016 0.000 0.286 355 G HA3 0.059 4.028 3.960 0.016 0.000 0.286 355 G C 0.582 175.564 174.900 0.137 0.000 0.834 355 G CA -0.365 44.793 45.100 0.096 0.000 1.856 355 G HN 0.899 nan 8.290 nan 0.000 0.559 356 W N 0.993 122.356 121.300 0.105 0.000 3.003 356 W HA 0.262 4.931 4.660 0.015 0.000 0.257 356 W C -0.822 175.695 176.519 -0.004 0.000 1.308 356 W CA -0.243 57.123 57.345 0.035 0.000 1.529 356 W CB 0.096 29.471 29.460 -0.142 0.000 1.115 356 W HN 0.255 nan 8.180 nan 0.000 0.659 357 D N -0.099 119.963 120.400 -0.564 0.000 2.531 357 D HA 0.320 4.970 4.640 0.016 0.000 0.244 357 D C 1.294 177.374 176.300 -0.367 0.000 1.090 357 D CA 0.482 54.083 54.000 -0.665 0.000 0.989 357 D CB 1.639 41.533 40.800 -1.510 0.000 1.433 357 D HN -0.089 nan 8.370 nan 0.000 0.492 358 E N 0.697 120.746 120.200 -0.251 0.000 2.152 358 E HA -0.120 4.240 4.350 0.016 0.000 0.192 358 E C 1.517 178.027 176.600 -0.150 0.000 0.983 358 E CA 1.043 57.352 56.400 -0.151 0.000 0.818 358 E CB -0.370 29.268 29.700 -0.104 0.000 0.758 358 E HN 0.262 nan 8.360 nan 0.000 0.467 359 K N 0.582 120.848 120.400 -0.223 0.000 2.103 359 K HA -0.096 4.233 4.320 0.016 0.000 0.204 359 K C 2.562 179.068 176.600 -0.157 0.000 1.052 359 K CA 1.630 57.825 56.287 -0.154 0.000 0.945 359 K CB -0.128 32.271 32.500 -0.169 0.000 0.722 359 K HN 0.517 nan 8.250 nan 0.000 0.443 360 S N 0.051 115.539 115.700 -0.355 0.000 2.406 360 S HA -0.076 4.404 4.470 0.016 0.000 0.224 360 S C 1.949 176.454 174.600 -0.159 0.000 1.030 360 S CA 0.371 58.394 58.200 -0.296 0.000 0.958 360 S CB -0.179 62.685 63.200 -0.561 0.000 0.811 360 S HN 0.271 nan 8.310 nan 0.000 0.489 361 Q N 0.263 119.971 119.800 -0.154 0.000 2.152 361 Q HA -0.212 4.138 4.340 0.016 0.000 0.206 361 Q C 2.209 178.192 176.000 -0.029 0.000 0.985 361 Q CA 1.739 57.504 55.803 -0.063 0.000 0.863 361 Q CB -0.339 28.372 28.738 -0.044 0.000 0.904 361 Q HN 0.789 nan 8.270 nan 0.000 0.422 362 H N 0.397 119.413 119.070 -0.090 0.000 2.436 362 H HA -0.006 4.559 4.556 0.015 0.000 0.294 362 H C 1.593 176.890 175.328 -0.052 0.000 1.048 362 H CA 0.890 56.901 56.048 -0.062 0.000 1.353 362 H CB 0.477 30.203 29.762 -0.060 0.000 1.414 362 H HN 0.075 nan 8.280 nan 0.000 0.536 363 K N 0.461 120.746 120.400 -0.192 0.000 2.103 363 K HA -0.049 4.281 4.320 0.016 0.000 0.204 363 K C 2.334 178.833 176.600 -0.169 0.000 1.052 363 K CA 0.766 56.936 56.287 -0.194 0.000 0.945 363 K CB 0.162 32.616 32.500 -0.077 0.000 0.722 363 K HN 0.327 nan 8.250 nan 0.000 0.443 364 I N 1.102 121.603 120.570 -0.116 0.000 2.252 364 I HA -0.231 3.948 4.170 0.016 0.000 0.245 364 I C 2.466 178.514 176.117 -0.115 0.000 1.102 364 I CA 0.934 62.183 61.300 -0.085 0.000 1.385 364 I CB -0.295 37.678 38.000 -0.046 0.000 1.064 364 I HN 0.066 nan 8.210 nan 0.000 0.414 365 A N -0.076 122.661 122.820 -0.138 0.000 1.972 365 A HA -0.222 4.108 4.320 0.016 0.000 0.219 365 A C 2.273 179.758 177.584 -0.165 0.000 1.169 365 A CA 1.316 53.278 52.037 -0.125 0.000 0.635 365 A CB -0.470 18.476 19.000 -0.090 0.000 0.810 365 A HN 0.435 nan 8.150 nan 0.000 0.446 366 Q N -1.033 118.609 119.800 -0.264 0.000 2.084 366 Q HA -0.132 4.218 4.340 0.016 0.000 0.202 366 Q C 2.166 178.043 176.000 -0.206 0.000 0.978 366 Q CA 1.643 57.291 55.803 -0.257 0.000 0.844 366 Q CB -0.235 28.302 28.738 -0.335 0.000 0.898 366 Q HN 0.748 nan 8.270 nan 0.000 0.426 367 M N -0.241 119.252 119.600 -0.178 0.000 2.200 367 M HA -0.129 4.360 4.480 0.016 0.000 0.265 367 M C 1.824 178.047 176.300 -0.127 0.000 1.066 367 M CA 0.732 55.941 55.300 -0.152 0.000 1.127 367 M CB -0.061 32.482 32.600 -0.094 0.000 1.379 367 M HN 0.142 nan 8.290 nan 0.000 0.420 368 L N 0.275 121.435 121.223 -0.105 0.000 2.191 368 L HA -0.118 4.231 4.340 0.016 0.000 0.212 368 L C 2.617 179.452 176.870 -0.059 0.000 1.103 368 L CA 1.801 56.595 54.840 -0.075 0.000 0.769 368 L CB -1.117 40.904 42.059 -0.063 0.000 0.908 368 L HN 0.361 nan 8.230 nan 0.000 0.438 369 S N -2.181 113.475 115.700 -0.073 0.000 2.603 369 S HA 0.082 4.561 4.470 0.016 0.000 0.220 369 S C 0.841 175.416 174.600 -0.041 0.000 0.967 369 S CA -0.160 58.013 58.200 -0.045 0.000 0.920 369 S CB -0.276 62.898 63.200 -0.042 0.000 0.773 369 S HN 0.262 nan 8.310 nan 0.000 0.529 370 M N 3.073 122.614 119.600 -0.099 0.000 2.314 370 M HA 0.262 4.752 4.480 0.016 0.000 0.342 370 M C -0.541 175.767 176.300 0.013 0.000 1.171 370 M CA -0.583 54.650 55.300 -0.113 0.000 1.098 370 M CB 0.907 33.219 32.600 -0.481 0.000 1.559 370 M HN 0.178 nan 8.290 nan 0.000 0.459 371 D N 3.866 124.366 120.400 0.166 0.000 2.619 371 D HA 0.279 4.929 4.640 0.016 0.000 0.224 371 D C -0.567 175.845 176.300 0.188 0.000 1.133 371 D CA -0.080 54.025 54.000 0.174 0.000 1.017 371 D CB -0.445 40.494 40.800 0.231 0.000 1.077 371 D HN 0.408 nan 8.370 nan 0.000 0.503 372 L N 0.907 122.196 121.223 0.109 0.000 2.417 372 L HA 0.304 4.653 4.340 0.016 0.000 0.268 372 L C -1.838 175.092 176.870 0.100 0.000 1.158 372 L CA -1.888 53.021 54.840 0.114 0.000 0.819 372 L CB 0.081 42.177 42.059 0.062 0.000 1.112 372 L HN 0.006 nan 8.230 nan 0.000 0.458 373 P HA 0.017 nan 4.420 nan 0.000 0.268 373 P C 0.174 177.518 177.300 0.072 0.000 1.204 373 P CA -0.105 63.046 63.100 0.084 0.000 0.768 373 P CB 0.912 32.661 31.700 0.082 0.000 0.842 374 A N 3.124 125.979 122.820 0.057 0.000 1.986 374 A HA -0.261 4.069 4.320 0.016 0.000 0.220 374 A C 2.039 179.658 177.584 0.059 0.000 1.171 374 A CA 1.852 53.916 52.037 0.045 0.000 0.640 374 A CB -1.126 17.896 19.000 0.037 0.000 0.811 374 A HN 0.657 nan 8.150 nan 0.000 0.451 375 E N -1.271 118.971 120.200 0.071 0.000 2.338 375 E HA -0.118 4.242 4.350 0.016 0.000 0.197 375 E C 1.653 178.336 176.600 0.138 0.000 1.007 375 E CA 0.806 57.258 56.400 0.086 0.000 0.849 375 E CB -0.063 29.676 29.700 0.064 0.000 0.774 375 E HN 0.547 nan 8.360 nan 0.000 0.506 376 L N -0.462 120.850 121.223 0.149 0.000 2.185 376 L HA 0.319 4.668 4.340 0.016 0.000 0.198 376 L C 0.066 177.077 176.870 0.236 0.000 1.079 376 L CA 1.234 56.215 54.840 0.235 0.000 0.780 376 L CB 0.239 42.420 42.059 0.202 0.000 0.955 376 L HN -0.026 nan 8.230 nan 0.000 0.462 377 A N -1.265 121.620 122.820 0.108 0.000 2.517 377 A HA 0.668 4.997 4.320 0.016 0.000 0.297 377 A C -1.707 175.830 177.584 -0.079 0.000 1.050 377 A CA -0.292 51.713 52.037 -0.054 0.000 0.694 377 A CB 1.506 20.468 19.000 -0.063 0.000 1.277 377 A HN 0.012 nan 8.150 nan 0.000 0.400 378 V N 1.299 121.128 119.914 -0.143 0.000 2.932 378 V HA 0.754 4.884 4.120 0.016 0.000 0.307 378 V C 0.364 176.391 176.094 -0.112 0.000 1.147 378 V CA 0.026 62.274 62.300 -0.087 0.000 0.951 378 V CB 1.907 33.708 31.823 -0.036 0.000 1.031 378 V HN 2.091 nan 8.190 nan 0.000 0.426 379 A N 4.188 126.963 122.820 -0.075 0.000 2.483 379 A HA 0.592 4.922 4.320 0.016 0.000 0.238 379 A C -0.354 177.202 177.584 -0.047 0.000 1.070 379 A CA 0.361 52.360 52.037 -0.064 0.000 0.770 379 A CB 0.853 19.829 19.000 -0.039 0.000 1.008 379 A HN 1.584 nan 8.150 nan 0.000 0.497 380 V N 2.580 122.470 119.914 -0.039 0.000 2.577 380 V HA 0.448 4.577 4.120 0.016 0.000 0.303 380 V C -0.402 175.690 176.094 -0.004 0.000 1.042 380 V CA -0.705 61.583 62.300 -0.021 0.000 0.872 380 V CB 1.525 33.333 31.823 -0.025 0.000 0.998 380 V HN 1.070 nan 8.190 nan 0.000 0.423 381 E N 4.219 124.421 120.200 0.002 0.000 2.425 381 E HA 0.403 4.763 4.350 0.016 0.000 0.258 381 E C 1.222 177.833 176.600 0.018 0.000 1.151 381 E CA 0.440 56.847 56.400 0.012 0.000 0.958 381 E CB 0.634 30.340 29.700 0.011 0.000 0.968 381 E HN 0.796 nan 8.360 nan 0.000 0.451 382 A N 1.746 124.583 122.820 0.028 0.000 1.930 382 A HA -0.204 4.126 4.320 0.016 0.000 0.217 382 A C 1.532 179.131 177.584 0.026 0.000 1.175 382 A CA 1.421 53.480 52.037 0.037 0.000 0.627 382 A CB -0.490 18.539 19.000 0.049 0.000 0.815 382 A HN 0.516 nan 8.150 nan 0.000 0.443 383 N N 0.237 118.949 118.700 0.020 0.000 2.381 383 N HA -0.017 4.733 4.740 0.016 0.000 0.182 383 N C 1.448 176.962 175.510 0.006 0.000 1.025 383 N CA 1.340 54.398 53.050 0.014 0.000 0.888 383 N CB -0.306 38.189 38.487 0.014 0.000 0.965 383 N HN 0.501 nan 8.380 nan 0.000 0.438 384 A N -0.410 122.412 122.820 0.004 0.000 2.252 384 A HA 0.189 4.519 4.320 0.016 0.000 0.213 384 A C 2.160 179.739 177.584 -0.009 0.000 1.188 384 A CA -0.033 52.003 52.037 -0.002 0.000 0.863 384 A CB 0.045 19.045 19.000 -0.000 0.000 0.893 384 A HN 0.032 nan 8.150 nan 0.000 0.495 385 V N 0.343 120.253 119.914 -0.008 0.000 2.343 385 V HA -0.272 3.857 4.120 0.016 0.000 0.247 385 V C 2.482 178.550 176.094 -0.043 0.000 1.051 385 V CA 2.390 64.679 62.300 -0.019 0.000 1.036 385 V CB -0.500 31.319 31.823 -0.007 0.000 0.654 385 V HN 0.802 nan 8.190 nan 0.000 0.451 386 E N -0.245 119.932 120.200 -0.038 0.000 2.110 386 E HA -0.302 4.058 4.350 0.016 0.000 0.193 386 E C 2.276 178.842 176.600 -0.056 0.000 0.988 386 E CA 1.559 57.924 56.400 -0.058 0.000 0.804 386 E CB -0.091 29.590 29.700 -0.031 0.000 0.745 386 E HN 0.686 nan 8.360 nan 0.000 0.458 387 Q N 0.011 119.791 119.800 -0.034 0.000 2.119 387 Q HA -0.148 4.202 4.340 0.016 0.000 0.201 387 Q C 2.064 178.047 176.000 -0.029 0.000 0.972 387 Q CA 1.301 57.088 55.803 -0.027 0.000 0.847 387 Q CB 0.036 28.765 28.738 -0.014 0.000 0.903 387 Q HN 0.340 nan 8.270 nan 0.000 0.433 388 I N -0.109 120.444 120.570 -0.028 0.000 2.233 388 I HA -0.212 3.967 4.170 0.016 0.000 0.243 388 I C 2.351 178.449 176.117 -0.033 0.000 1.093 388 I CA 1.736 63.023 61.300 -0.021 0.000 1.380 388 I CB 0.003 37.995 38.000 -0.012 0.000 1.067 388 I HN 0.369 nan 8.210 nan 0.000 0.413 389 T N -3.422 111.093 114.554 -0.065 0.000 3.037 389 T HA 0.328 4.687 4.350 0.016 0.000 0.252 389 T C 1.630 176.244 174.700 -0.143 0.000 1.073 389 T CA 0.520 62.563 62.100 -0.095 0.000 1.091 389 T CB 0.542 69.327 68.868 -0.139 0.000 0.935 389 T HN 0.449 nan 8.240 nan 0.000 0.488 390 G N 0.962 109.674 108.800 -0.147 0.000 2.213 390 G HA2 -0.177 3.793 3.960 0.016 0.000 0.226 390 G HA3 -0.177 3.793 3.960 0.016 0.000 0.226 390 G C 0.136 174.883 174.900 -0.255 0.000 0.992 390 G CA 0.151 45.153 45.100 -0.163 0.000 0.632 390 G HN 1.522 nan 8.290 nan 0.000 0.511 391 V N -1.900 117.787 119.914 -0.377 0.000 2.864 391 V HA 0.960 5.089 4.120 0.016 0.000 0.314 391 V C 0.305 176.240 176.094 -0.266 0.000 1.073 391 V CA -0.611 61.345 62.300 -0.574 0.000 0.956 391 V CB 1.775 32.706 31.823 -1.487 0.000 1.023 391 V HN 1.764 nan 8.190 nan 0.000 0.435 392 A N 2.101 124.920 122.820 -0.001 0.000 2.302 392 A HA 0.607 4.936 4.320 0.016 0.000 0.295 392 A C 0.975 178.711 177.584 0.254 0.000 1.235 392 A CA 0.277 52.399 52.037 0.142 0.000 0.876 392 A CB 0.264 19.368 19.000 0.173 0.000 1.133 392 A HN 1.538 nan 8.150 nan 0.000 0.533 393 T N -0.843 113.759 114.554 0.079 0.000 2.971 393 T HA 0.106 4.466 4.350 0.016 0.000 0.252 393 T C 0.783 175.574 174.700 0.152 0.000 1.022 393 T CA 0.454 62.548 62.100 -0.010 0.000 0.980 393 T CB -0.129 68.609 68.868 -0.215 0.000 1.044 393 T HN 0.728 nan 8.240 nan 0.000 0.501 394 N N 1.087 119.863 118.700 0.126 0.000 2.776 394 N HA -0.151 4.599 4.740 0.016 0.000 0.250 394 N C -0.279 175.323 175.510 0.153 0.000 1.112 394 N CA 1.020 54.149 53.050 0.132 0.000 0.733 394 N CB -1.925 36.647 38.487 0.142 0.000 1.097 394 N HN 0.939 nan 8.380 nan 0.000 0.558 395 C N -3.644 115.750 119.300 0.156 0.000 3.312 395 C HA 0.755 5.225 4.460 0.016 0.000 0.332 395 C C 0.848 175.913 174.990 0.124 0.000 1.340 395 C CA -0.814 58.300 59.018 0.159 0.000 1.265 395 C CB 1.368 29.256 27.740 0.246 0.000 1.563 395 C HN 0.232 nan 8.230 nan 0.000 0.471 396 S N -0.038 115.721 115.700 0.097 0.000 2.641 396 S HA 0.885 5.364 4.470 0.016 0.000 0.261 396 S C 0.556 175.203 174.600 0.079 0.000 1.257 396 S CA 0.531 58.770 58.200 0.066 0.000 0.983 396 S CB 1.006 64.230 63.200 0.041 0.000 0.990 396 S HN 1.749 nan 8.310 nan 0.000 0.572 397 G N -0.729 108.095 108.800 0.040 0.000 2.500 397 G HA2 0.509 4.479 3.960 0.016 0.000 0.299 397 G HA3 0.509 4.479 3.960 0.016 0.000 0.299 397 G C -1.901 172.977 174.900 -0.036 0.000 1.242 397 G CA -0.638 44.479 45.100 0.029 0.000 0.859 397 G HN 0.690 nan 8.290 nan 0.000 0.481 398 I N 0.176 120.695 120.570 -0.084 0.000 2.647 398 I HA 0.710 4.889 4.170 0.016 0.000 0.295 398 I C -0.750 175.172 176.117 -0.326 0.000 1.078 398 I CA -0.587 60.586 61.300 -0.211 0.000 1.048 398 I CB 2.412 40.260 38.000 -0.255 0.000 1.239 398 I HN 0.645 nan 8.210 nan 0.000 0.421 399 T N 5.375 119.709 114.554 -0.367 0.000 2.887 399 T HA 0.551 4.910 4.350 0.016 0.000 0.288 399 T C -1.486 172.931 174.700 -0.472 0.000 1.021 399 T CA -0.202 61.701 62.100 -0.327 0.000 1.000 399 T CB 0.681 69.487 68.868 -0.103 0.000 1.034 399 T HN 0.373 nan 8.240 nan 0.000 0.467 400 Y N 5.015 125.325 120.300 0.016 0.000 2.593 400 Y HA 0.333 4.892 4.550 0.016 0.000 0.331 400 Y C -1.744 174.224 175.900 0.113 0.000 0.986 400 Y CA -2.454 55.675 58.100 0.048 0.000 1.262 400 Y CB 1.210 39.661 38.460 -0.016 0.000 1.098 400 Y HN 0.525 nan 8.280 nan 0.000 0.506 401 P HA -0.116 nan 4.420 nan 0.000 0.223 401 P C 0.966 178.394 177.300 0.215 0.000 1.151 401 P CA 1.184 64.387 63.100 0.172 0.000 0.787 401 P CB 0.494 32.262 31.700 0.113 0.000 0.788 402 Q N -0.639 119.329 119.800 0.279 0.000 2.360 402 Q HA 0.204 4.554 4.340 0.016 0.000 0.202 402 Q C 1.216 177.424 176.000 0.347 0.000 0.915 402 Q CA 0.181 56.116 55.803 0.220 0.000 0.943 402 Q CB -0.206 28.575 28.738 0.073 0.000 1.064 402 Q HN 0.163 nan 8.270 nan 0.000 0.511 403 G N -0.628 108.468 108.800 0.494 0.000 2.588 403 G HA2 0.543 4.513 3.960 0.016 0.000 0.281 403 G HA3 0.543 4.513 3.960 0.016 0.000 0.281 403 G C 0.097 175.262 174.900 0.441 0.000 1.236 403 G CA 0.283 45.679 45.100 0.493 0.000 0.969 403 G HN 0.309 nan 8.290 nan 0.000 0.504 404 G N -1.448 107.635 108.800 0.472 0.000 2.498 404 G HA2 0.430 4.399 3.960 0.016 0.000 0.181 404 G HA3 0.430 4.399 3.960 0.016 0.000 0.181 404 G C -1.300 173.894 174.900 0.490 0.000 1.169 404 G CA -0.083 45.285 45.100 0.447 0.000 0.992 404 G HN 1.230 nan 8.290 nan 0.000 0.490 405 W N 0.423 121.915 121.300 0.321 0.000 2.864 405 W HA 0.797 5.466 4.660 0.015 0.000 0.343 405 W C -1.226 175.427 176.519 0.223 0.000 1.109 405 W CA -1.169 56.322 57.345 0.244 0.000 1.192 405 W CB 1.079 30.634 29.460 0.157 0.000 1.426 405 W HN 0.887 nan 8.180 nan 0.000 0.529 406 L N 0.797 122.343 121.223 0.538 0.000 2.403 406 L HA 0.768 5.118 4.340 0.016 0.000 0.253 406 L C -1.060 176.129 176.870 0.531 0.000 1.045 406 L CA -0.812 54.276 54.840 0.414 0.000 0.845 406 L CB 1.567 43.774 42.059 0.246 0.000 1.447 406 L HN 0.563 nan 8.230 nan 0.000 0.411 407 C N 2.499 122.074 119.300 0.459 0.000 2.200 407 C HA 0.581 5.051 4.460 0.016 0.000 0.328 407 C C -1.139 173.962 174.990 0.186 0.000 1.148 407 C CA -1.286 57.929 59.018 0.328 0.000 1.624 407 C CB 0.137 28.071 27.740 0.324 0.000 2.167 407 C HN 0.784 nan 8.230 nan 0.000 0.484 408 P HA -0.030 nan 4.420 nan 0.000 0.219 408 P C 1.427 178.757 177.300 0.051 0.000 1.150 408 P CA 1.899 65.036 63.100 0.063 0.000 0.814 408 P CB 0.087 31.836 31.700 0.082 0.000 0.787 409 A N 0.662 123.521 122.820 0.066 0.000 1.877 409 A HA -0.209 4.121 4.320 0.016 0.000 0.216 409 A C 2.404 180.019 177.584 0.053 0.000 1.186 409 A CA 1.809 53.876 52.037 0.050 0.000 0.620 409 A CB -1.367 17.656 19.000 0.039 0.000 0.822 409 A HN 0.260 nan 8.150 nan 0.000 0.443 410 E N -0.573 119.674 120.200 0.078 0.000 2.072 410 E HA -0.145 4.214 4.350 0.016 0.000 0.190 410 E C 1.938 178.594 176.600 0.092 0.000 0.982 410 E CA 1.051 57.508 56.400 0.095 0.000 0.803 410 E CB -0.204 29.577 29.700 0.134 0.000 0.755 410 E HN 0.410 nan 8.360 nan 0.000 0.453 411 L N 1.199 122.457 121.223 0.058 0.000 2.013 411 L HA -0.178 4.171 4.340 0.016 0.000 0.212 411 L C 2.249 179.099 176.870 -0.033 0.000 1.073 411 L CA 2.311 57.101 54.840 -0.084 0.000 0.753 411 L CB -0.829 41.032 42.059 -0.331 0.000 0.890 411 L HN 0.117 nan 8.230 nan 0.000 0.432 412 T N -0.472 114.082 114.554 -0.000 0.000 2.777 412 T HA -0.147 4.213 4.350 0.016 0.000 0.266 412 T C 1.990 176.713 174.700 0.039 0.000 1.040 412 T CA 1.621 63.734 62.100 0.021 0.000 1.141 412 T CB -0.201 68.683 68.868 0.025 0.000 0.868 412 T HN 0.372 nan 8.240 nan 0.000 0.444 413 R N 1.049 121.576 120.500 0.046 0.000 2.066 413 R HA 0.011 4.361 4.340 0.016 0.000 0.232 413 R C 2.306 178.640 176.300 0.056 0.000 1.131 413 R CA 1.259 57.390 56.100 0.053 0.000 0.955 413 R CB -0.248 30.078 30.300 0.043 0.000 0.851 413 R HN 0.309 nan 8.270 nan 0.000 0.432 414 N N 0.218 118.955 118.700 0.062 0.000 2.270 414 N HA -0.080 4.670 4.740 0.016 0.000 0.181 414 N C 1.812 177.359 175.510 0.061 0.000 1.016 414 N CA 0.670 53.761 53.050 0.069 0.000 0.870 414 N CB -0.186 38.362 38.487 0.101 0.000 0.979 414 N HN -0.016 nan 8.380 nan 0.000 0.431 415 V N 1.507 121.453 119.914 0.052 0.000 2.295 415 V HA -0.143 3.987 4.120 0.016 0.000 0.246 415 V C 2.334 178.455 176.094 0.045 0.000 1.049 415 V CA 1.161 63.492 62.300 0.051 0.000 1.024 415 V CB -0.425 31.433 31.823 0.058 0.000 0.648 415 V HN 0.252 nan 8.190 nan 0.000 0.447 416 L N -0.312 120.937 121.223 0.043 0.000 2.083 416 L HA -0.212 4.138 4.340 0.016 0.000 0.209 416 L C 2.601 179.490 176.870 0.030 0.000 1.083 416 L CA 1.925 56.786 54.840 0.035 0.000 0.752 416 L CB -0.516 41.576 42.059 0.055 0.000 0.899 416 L HN 0.459 nan 8.230 nan 0.000 0.433 417 E N 0.353 120.578 120.200 0.041 0.000 2.077 417 E HA -0.272 4.088 4.350 0.016 0.000 0.193 417 E C 2.221 178.836 176.600 0.025 0.000 0.989 417 E CA 1.114 57.533 56.400 0.033 0.000 0.800 417 E CB 0.007 29.730 29.700 0.038 0.000 0.746 417 E HN 0.279 nan 8.360 nan 0.000 0.452 418 L N 1.027 122.268 121.223 0.031 0.000 2.012 418 L HA -0.132 4.218 4.340 0.016 0.000 0.210 418 L C 2.263 179.146 176.870 0.021 0.000 1.073 418 L CA 2.321 57.178 54.840 0.028 0.000 0.748 418 L CB -0.803 41.278 42.059 0.035 0.000 0.891 418 L HN 0.142 nan 8.230 nan 0.000 0.431 419 A N -1.235 121.597 122.820 0.019 0.000 1.972 419 A HA -0.253 4.076 4.320 0.016 0.000 0.219 419 A C 2.200 179.780 177.584 -0.007 0.000 1.169 419 A CA 1.809 53.851 52.037 0.009 0.000 0.635 419 A CB -0.563 18.439 19.000 0.002 0.000 0.810 419 A HN 0.696 nan 8.150 nan 0.000 0.446 420 Q N -0.776 119.015 119.800 -0.015 0.000 2.119 420 Q HA -0.206 4.143 4.340 0.016 0.000 0.201 420 Q C 2.180 178.170 176.000 -0.018 0.000 0.972 420 Q CA 1.575 57.360 55.803 -0.031 0.000 0.847 420 Q CB -0.174 28.544 28.738 -0.033 0.000 0.903 420 Q HN 0.791 nan 8.270 nan 0.000 0.433 421 Q N 0.171 119.969 119.800 -0.003 0.000 2.291 421 Q HA -0.143 4.206 4.340 0.016 0.000 0.205 421 Q C 1.431 177.435 176.000 0.006 0.000 0.970 421 Q CA 0.843 56.647 55.803 0.002 0.000 0.876 421 Q CB 0.146 28.889 28.738 0.008 0.000 0.935 421 Q HN 0.418 nan 8.270 nan 0.000 0.455 422 Q N -1.208 118.598 119.800 0.010 0.000 2.360 422 Q HA 0.102 4.451 4.340 0.016 0.000 0.202 422 Q C 0.729 176.739 176.000 0.017 0.000 0.915 422 Q CA 0.484 56.298 55.803 0.019 0.000 0.943 422 Q CB 0.959 29.713 28.738 0.028 0.000 1.064 422 Q HN 0.511 nan 8.270 nan 0.000 0.511 423 G N 0.817 109.618 108.800 0.002 0.000 2.205 423 G HA2 -0.199 3.770 3.960 0.016 0.000 0.180 423 G HA3 -0.199 3.770 3.960 0.016 0.000 0.180 423 G C -0.281 174.607 174.900 -0.019 0.000 1.004 423 G CA -0.464 44.635 45.100 -0.002 0.000 0.670 423 G HN 0.233 nan 8.290 nan 0.000 0.496 424 L N 2.325 123.528 121.223 -0.033 0.000 2.513 424 L HA 0.471 4.821 4.340 0.016 0.000 0.272 424 L C 0.249 177.045 176.870 -0.124 0.000 1.187 424 L CA -0.062 54.737 54.840 -0.068 0.000 0.895 424 L CB 0.530 42.545 42.059 -0.074 0.000 1.147 424 L HN 0.211 nan 8.230 nan 0.000 0.483 425 Q N 6.928 126.637 119.800 -0.151 0.000 2.322 425 Q HA 0.391 4.740 4.340 0.016 0.000 0.256 425 Q C -0.643 175.105 176.000 -0.420 0.000 0.960 425 Q CA 0.045 55.689 55.803 -0.265 0.000 0.934 425 Q CB 1.211 29.857 28.738 -0.154 0.000 1.200 425 Q HN 0.615 nan 8.270 nan 0.000 0.435 426 I N 2.825 123.066 120.570 -0.549 0.000 2.359 426 I HA 0.284 4.463 4.170 0.016 0.000 0.294 426 I C -0.660 174.903 176.117 -0.924 0.000 0.987 426 I CA -0.958 59.939 61.300 -0.671 0.000 1.225 426 I CB 0.780 38.392 38.000 -0.647 0.000 1.366 426 I HN 0.423 nan 8.210 nan 0.000 0.466 427 Y N 5.387 125.287 120.300 -0.666 0.000 2.376 427 Y HA 0.419 4.979 4.550 0.016 0.000 0.326 427 Y C -0.354 175.337 175.900 -0.350 0.000 0.970 427 Y CA -0.634 57.126 58.100 -0.567 0.000 1.248 427 Y CB 0.867 38.763 38.460 -0.940 0.000 1.117 427 Y HN 0.354 nan 8.280 nan 0.000 0.476 428 Y N 1.049 121.397 120.300 0.080 0.000 2.334 428 Y HA 0.143 4.703 4.550 0.016 0.000 0.325 428 Y C 0.860 176.931 175.900 0.284 0.000 1.308 428 Y CA -0.920 57.268 58.100 0.148 0.000 1.389 428 Y CB 0.691 39.196 38.460 0.074 0.000 1.328 428 Y HN 0.556 nan 8.280 nan 0.000 0.532 429 Q N -1.062 118.983 119.800 0.409 0.000 2.461 429 Q HA -0.297 4.053 4.340 0.016 0.000 0.273 429 Q C -1.418 174.741 176.000 0.265 0.000 1.163 429 Q CA 0.814 56.785 55.803 0.281 0.000 0.929 429 Q CB -2.312 26.549 28.738 0.206 0.000 1.334 429 Q HN 0.651 nan 8.270 nan 0.000 0.499 430 Y N 0.772 121.143 120.300 0.118 0.000 2.587 430 Y HA 0.271 4.830 4.550 0.016 0.000 0.328 430 Y C 0.556 176.564 175.900 0.180 0.000 0.980 430 Y CA -0.441 57.673 58.100 0.023 0.000 1.272 430 Y CB 1.211 39.563 38.460 -0.181 0.000 1.094 430 Y HN 0.099 nan 8.280 nan 0.000 0.503 431 Q N 4.561 124.517 119.800 0.260 0.000 2.368 431 Q HA 0.269 4.619 4.340 0.016 0.000 0.256 431 Q C -1.178 175.030 176.000 0.346 0.000 0.980 431 Q CA -1.101 54.867 55.803 0.276 0.000 0.887 431 Q CB 0.906 29.739 28.738 0.160 0.000 1.221 431 Q HN 0.666 nan 8.270 nan 0.000 0.458 432 L N 4.160 125.605 121.223 0.371 0.000 2.462 432 L HA -0.018 4.331 4.340 0.016 0.000 0.272 432 L C 0.695 177.693 176.870 0.214 0.000 1.166 432 L CA 0.915 55.832 54.840 0.129 0.000 0.880 432 L CB 0.873 42.944 42.059 0.020 0.000 1.142 432 L HN 0.758 nan 8.230 nan 0.000 0.473 433 Q N 2.885 122.733 119.800 0.080 0.000 2.349 433 Q HA 0.249 4.599 4.340 0.016 0.000 0.209 433 Q C -0.162 175.966 176.000 0.212 0.000 0.920 433 Q CA 0.570 56.462 55.803 0.147 0.000 0.901 433 Q CB 0.427 29.192 28.738 0.046 0.000 1.021 433 Q HN 0.807 nan 8.270 nan 0.000 0.519 434 N N -0.968 117.767 118.700 0.057 0.000 2.745 434 N HA 0.398 5.147 4.740 0.016 0.000 0.256 434 N C -1.775 173.715 175.510 -0.033 0.000 1.268 434 N CA -0.571 52.462 53.050 -0.029 0.000 0.887 434 N CB 1.837 40.288 38.487 -0.060 0.000 1.575 434 N HN -0.060 nan 8.380 nan 0.000 0.496 435 F N -0.814 118.995 119.950 -0.235 0.000 2.641 435 F HA 0.825 5.361 4.527 0.015 0.000 0.308 435 F C -0.885 174.936 175.800 0.034 0.000 1.105 435 F CA -0.938 56.957 58.000 -0.175 0.000 0.964 435 F CB 1.203 39.986 39.000 -0.362 0.000 1.294 435 F HN 0.351 nan 8.300 nan 0.000 0.442 436 S N 1.294 117.178 115.700 0.306 0.000 2.588 436 S HA 0.736 5.216 4.470 0.016 0.000 0.275 436 S C -1.232 173.544 174.600 0.293 0.000 1.130 436 S CA -1.107 57.252 58.200 0.265 0.000 0.855 436 S CB 2.082 65.327 63.200 0.074 0.000 1.116 436 S HN 0.948 nan 8.310 nan 0.000 0.472 437 R N 1.320 121.813 120.500 -0.012 0.000 2.242 437 R HA 0.416 4.766 4.340 0.016 0.000 0.334 437 R C -0.804 175.400 176.300 -0.161 0.000 1.071 437 R CA -0.192 55.681 56.100 -0.377 0.000 0.922 437 R CB 0.014 30.019 30.300 -0.491 0.000 1.023 437 R HN 0.727 nan 8.270 nan 0.000 0.458 438 K N 3.023 123.348 120.400 -0.124 0.000 2.323 438 K HA 0.558 4.888 4.320 0.016 0.000 0.259 438 K C 0.464 177.015 176.600 -0.082 0.000 0.947 438 K CA -0.041 56.205 56.287 -0.069 0.000 0.819 438 K CB 1.207 33.696 32.500 -0.019 0.000 1.109 438 K HN 0.549 nan 8.250 nan 0.000 0.429 439 D N 2.201 122.558 120.400 -0.071 0.000 4.207 439 D HA -0.265 4.384 4.640 0.016 0.000 0.160 439 D C 0.228 176.472 176.300 -0.093 0.000 0.724 439 D CA 1.881 55.842 54.000 -0.064 0.000 1.104 439 D CB -1.579 39.196 40.800 -0.041 0.000 0.509 439 D HN 0.816 nan 8.370 nan 0.000 0.475 440 D N -0.048 120.303 120.400 -0.082 0.000 2.571 440 D HA 0.449 5.099 4.640 0.016 0.000 0.239 440 D C -0.590 175.652 176.300 -0.098 0.000 1.267 440 D CA 0.090 54.033 54.000 -0.093 0.000 0.823 440 D CB 0.251 41.020 40.800 -0.052 0.000 1.056 440 D HN 0.726 nan 8.370 nan 0.000 0.494 441 C N -0.008 119.225 119.300 -0.112 0.000 2.913 441 C HA 0.483 4.952 4.460 0.016 0.000 0.322 441 C C -0.822 174.098 174.990 -0.116 0.000 1.292 441 C CA -0.741 58.249 59.018 -0.046 0.000 1.649 441 C CB 1.471 29.224 27.740 0.022 0.000 2.139 441 C HN 0.297 nan 8.230 nan 0.000 0.475 442 W N 2.161 123.517 121.300 0.093 0.000 2.331 442 W HA 0.549 5.219 4.660 0.016 0.000 0.306 442 W C -0.262 176.305 176.519 0.080 0.000 1.162 442 W CA -0.444 56.959 57.345 0.097 0.000 1.232 442 W CB 0.885 30.405 29.460 0.100 0.000 1.235 442 W HN 0.339 nan 8.180 nan 0.000 0.479 443 L N 5.532 126.957 121.223 0.337 0.000 2.265 443 L HA 0.460 4.809 4.340 0.016 0.000 0.288 443 L C -0.997 175.971 176.870 0.163 0.000 1.058 443 L CA -0.426 54.529 54.840 0.192 0.000 0.809 443 L CB 0.162 42.285 42.059 0.107 0.000 1.179 443 L HN 0.208 nan 8.230 nan 0.000 0.429 444 L N 5.222 126.471 121.223 0.045 0.000 2.282 444 L HA 0.454 4.803 4.340 0.016 0.000 0.288 444 L C -0.458 176.166 176.870 -0.409 0.000 1.033 444 L CA -0.009 54.692 54.840 -0.231 0.000 0.807 444 L CB 1.249 43.074 42.059 -0.390 0.000 1.209 444 L HN 0.615 nan 8.230 nan 0.000 0.423 445 N N 3.716 122.154 118.700 -0.435 0.000 2.469 445 N HA 0.548 5.298 4.740 0.016 0.000 0.253 445 N C -0.972 174.257 175.510 -0.467 0.000 0.970 445 N CA -0.350 52.504 53.050 -0.328 0.000 0.940 445 N CB 0.894 39.303 38.487 -0.131 0.000 1.128 445 N HN 0.218 nan 8.380 nan 0.000 0.503 446 F N 0.584 120.497 119.950 -0.063 0.000 2.380 446 F HA 0.529 5.066 4.527 0.016 0.000 0.321 446 F C 1.108 176.853 175.800 -0.092 0.000 1.103 446 F CA -1.342 56.600 58.000 -0.096 0.000 1.067 446 F CB 0.806 39.686 39.000 -0.200 0.000 1.265 446 F HN 0.380 nan 8.300 nan 0.000 0.517 447 A N 1.022 123.906 122.820 0.107 0.000 3.026 447 A HA 0.496 4.825 4.320 0.016 0.000 0.272 447 A C 0.877 178.458 177.584 -0.004 0.000 1.782 447 A CA 0.711 52.771 52.037 0.037 0.000 1.451 447 A CB -1.518 17.509 19.000 0.044 0.000 1.081 447 A HN 1.056 nan 8.150 nan 0.000 0.611 448 G N -0.027 108.768 108.800 -0.009 0.000 4.446 448 G HA2 0.268 4.238 3.960 0.016 0.000 0.205 448 G HA3 0.268 4.238 3.960 0.016 0.000 0.205 448 G C 0.018 174.911 174.900 -0.011 0.000 0.820 448 G CA 0.600 45.682 45.100 -0.029 0.000 0.792 448 G HN 0.545 nan 8.290 nan 0.000 0.525 449 D N -0.424 119.979 120.400 0.006 0.000 3.070 449 D HA -0.123 4.527 4.640 0.016 0.000 0.210 449 D C 0.452 176.773 176.300 0.035 0.000 1.103 449 D CA 0.923 54.933 54.000 0.016 0.000 0.980 449 D CB -0.626 40.181 40.800 0.012 0.000 1.100 449 D HN 0.376 nan 8.370 nan 0.000 0.423 450 Q N 0.525 120.353 119.800 0.047 0.000 2.288 450 Q HA 0.490 4.840 4.340 0.016 0.000 0.254 450 Q C 0.183 176.326 176.000 0.237 0.000 0.932 450 Q CA 0.402 56.270 55.803 0.108 0.000 0.902 450 Q CB 1.192 29.920 28.738 -0.016 0.000 1.203 450 Q HN 0.437 nan 8.270 nan 0.000 0.415 451 Q N 0.044 119.979 119.800 0.225 0.000 2.397 451 Q HA 0.830 5.180 4.340 0.016 0.000 0.275 451 Q C -1.443 174.701 176.000 0.240 0.000 1.090 451 Q CA -0.713 55.214 55.803 0.205 0.000 0.809 451 Q CB 2.529 31.322 28.738 0.092 0.000 1.362 451 Q HN 0.704 nan 8.270 nan 0.000 0.431 452 A N 0.722 123.697 122.820 0.258 0.000 2.498 452 A HA 0.859 5.188 4.320 0.016 0.000 0.298 452 A C -0.911 176.735 177.584 0.103 0.000 1.075 452 A CA -0.672 51.477 52.037 0.186 0.000 0.714 452 A CB 1.710 20.926 19.000 0.360 0.000 1.299 452 A HN 0.634 nan 8.150 nan 0.000 0.407 453 T N -0.581 113.935 114.554 -0.064 0.000 2.856 453 T HA 0.831 5.190 4.350 0.016 0.000 0.283 453 T C -0.685 173.830 174.700 -0.308 0.000 1.008 453 T CA -0.538 61.533 62.100 -0.048 0.000 0.997 453 T CB 1.118 69.979 68.868 -0.011 0.000 0.992 453 T HN 0.653 nan 8.240 nan 0.000 0.454 454 H N 0.852 120.042 119.070 0.199 0.000 3.016 454 H HA 0.434 5.000 4.556 0.016 0.000 0.362 454 H C 0.340 175.823 175.328 0.258 0.000 1.233 454 H CA -0.801 55.377 56.048 0.218 0.000 1.124 454 H CB 2.415 32.316 29.762 0.231 0.000 1.850 454 H HN 0.619 nan 8.280 nan 0.000 0.549 455 S N 0.488 116.410 115.700 0.371 0.000 2.388 455 S HA 0.085 4.565 4.470 0.016 0.000 0.223 455 S C 0.730 175.596 174.600 0.444 0.000 1.034 455 S CA 0.327 58.715 58.200 0.313 0.000 0.963 455 S CB 0.448 63.779 63.200 0.217 0.000 0.827 455 S HN 0.238 nan 8.310 nan 0.000 0.481 456 V N 1.967 122.157 119.914 0.461 0.000 2.656 456 V HA 0.535 4.664 4.120 0.016 0.000 0.307 456 V C -0.841 175.415 176.094 0.270 0.000 1.051 456 V CA -0.643 61.938 62.300 0.469 0.000 0.893 456 V CB 1.972 34.126 31.823 0.553 0.000 0.999 456 V HN 0.016 nan 8.190 nan 0.000 0.426 457 V N 4.926 124.899 119.914 0.097 0.000 2.540 457 V HA 0.572 4.702 4.120 0.016 0.000 0.302 457 V C -0.489 175.523 176.094 -0.137 0.000 1.035 457 V CA -0.596 61.579 62.300 -0.208 0.000 0.873 457 V CB 2.068 33.480 31.823 -0.685 0.000 0.992 457 V HN 0.605 nan 8.190 nan 0.000 0.428 458 V N 6.065 125.906 119.914 -0.122 0.000 2.444 458 V HA 0.467 4.596 4.120 0.016 0.000 0.294 458 V C -0.269 175.765 176.094 -0.100 0.000 1.022 458 V CA -0.568 61.710 62.300 -0.037 0.000 0.850 458 V CB 1.771 33.585 31.823 -0.016 0.000 0.992 458 V HN 0.658 nan 8.190 nan 0.000 0.426 459 L N 4.411 125.588 121.223 -0.077 0.000 2.261 459 L HA 0.661 5.011 4.340 0.016 0.000 0.289 459 L C 0.679 177.573 176.870 0.039 0.000 1.059 459 L CA -0.096 54.714 54.840 -0.049 0.000 0.816 459 L CB 1.143 43.187 42.059 -0.026 0.000 1.191 459 L HN 0.780 nan 8.230 nan 0.000 0.431 460 A N 2.774 125.603 122.820 0.015 0.000 2.795 460 A HA 0.193 4.523 4.320 0.016 0.000 0.282 460 A C 0.467 178.029 177.584 -0.037 0.000 0.964 460 A CA -0.544 51.480 52.037 -0.022 0.000 1.045 460 A CB -0.308 18.642 19.000 -0.083 0.000 1.174 460 A HN 0.733 nan 8.150 nan 0.000 0.493 461 N N 0.442 119.152 118.700 0.017 0.000 2.451 461 N HA 0.326 5.076 4.740 0.016 0.000 0.264 461 N C 0.798 176.299 175.510 -0.015 0.000 1.167 461 N CA 0.549 53.611 53.050 0.021 0.000 0.898 461 N CB -0.161 38.374 38.487 0.081 0.000 1.176 461 N HN 0.726 nan 8.380 nan 0.000 0.507 462 G N 2.547 111.340 108.800 -0.012 0.000 2.596 462 G HA2 -0.452 3.518 3.960 0.016 0.000 0.295 462 G HA3 -0.452 3.518 3.960 0.016 0.000 0.295 462 G C 0.690 175.605 174.900 0.025 0.000 1.240 462 G CA 1.025 46.137 45.100 0.020 0.000 0.985 462 G HN 0.800 nan 8.290 nan 0.000 0.555 463 H N -0.092 118.968 119.070 -0.016 0.000 2.489 463 H HA 0.188 4.753 4.556 0.015 0.000 0.293 463 H C 2.196 177.506 175.328 -0.031 0.000 1.066 463 H CA 1.626 57.659 56.048 -0.025 0.000 1.305 463 H CB -0.153 29.596 29.762 -0.022 0.000 1.386 463 H HN 0.573 nan 8.280 nan 0.000 0.551 464 Q N 0.142 119.612 119.800 -0.551 0.000 2.329 464 Q HA 0.079 4.429 4.340 0.016 0.000 0.208 464 Q C 1.338 177.191 176.000 -0.245 0.000 0.934 464 Q CA 0.040 55.584 55.803 -0.432 0.000 0.951 464 Q CB 0.081 28.539 28.738 -0.467 0.000 1.017 464 Q HN 0.517 nan 8.270 nan 0.000 0.490 465 I N 0.366 120.872 120.570 -0.107 0.000 2.335 465 I HA -0.231 3.949 4.170 0.016 0.000 0.251 465 I C 1.576 177.693 176.117 -0.000 0.000 1.129 465 I CA 1.505 62.812 61.300 0.011 0.000 1.402 465 I CB 0.175 38.201 38.000 0.043 0.000 1.069 465 I HN 0.084 nan 8.210 nan 0.000 0.424 466 S N -0.606 115.047 115.700 -0.079 0.000 2.573 466 S HA 0.272 4.752 4.470 0.016 0.000 0.244 466 S C 1.308 175.805 174.600 -0.170 0.000 0.984 466 S CA -0.549 57.619 58.200 -0.053 0.000 1.001 466 S CB -0.383 62.813 63.200 -0.006 0.000 0.788 466 S HN 0.418 nan 8.310 nan 0.000 0.456 467 R N 0.393 120.634 120.500 -0.431 0.000 2.388 467 R HA 0.350 4.700 4.340 0.016 0.000 0.247 467 R C -1.040 174.832 176.300 -0.714 0.000 0.931 467 R CA 0.022 55.786 56.100 -0.560 0.000 1.082 467 R CB 0.115 30.046 30.300 -0.616 0.000 1.135 467 R HN 0.386 nan 8.270 nan 0.000 0.525 468 F N -0.926 119.008 119.950 -0.027 0.000 2.538 468 F HA 0.177 4.714 4.527 0.016 0.000 0.325 468 F C 1.677 177.405 175.800 -0.121 0.000 1.066 468 F CA -1.259 56.688 58.000 -0.088 0.000 0.946 468 F CB 1.517 40.492 39.000 -0.042 0.000 1.199 468 F HN -0.163 nan 8.300 nan 0.000 0.473 469 S N 0.135 115.835 115.700 -0.000 0.000 2.419 469 S HA -0.176 4.303 4.470 0.016 0.000 0.233 469 S C 1.297 175.885 174.600 -0.020 0.000 1.016 469 S CA 1.075 59.253 58.200 -0.036 0.000 0.974 469 S CB -0.507 62.653 63.200 -0.067 0.000 0.786 469 S HN 0.736 nan 8.310 nan 0.000 0.492 470 Q N 1.429 121.160 119.800 -0.117 0.000 2.444 470 Q HA 0.049 4.399 4.340 0.016 0.000 0.206 470 Q C 1.189 177.265 176.000 0.127 0.000 0.948 470 Q CA 1.209 56.939 55.803 -0.122 0.000 0.946 470 Q CB -0.748 27.521 28.738 -0.781 0.000 1.027 470 Q HN 0.828 nan 8.270 nan 0.000 0.513 471 T N -3.670 110.974 114.554 0.151 0.000 3.058 471 T HA 0.088 4.448 4.350 0.016 0.000 0.278 471 T C 1.594 176.370 174.700 0.127 0.000 0.974 471 T CA 0.364 62.583 62.100 0.198 0.000 0.893 471 T CB 0.037 69.047 68.868 0.236 0.000 1.138 471 T HN 0.234 nan 8.240 nan 0.000 0.529 472 S N 1.909 117.647 115.700 0.064 0.000 2.440 472 S HA -0.103 4.376 4.470 0.016 0.000 0.238 472 S C 1.539 176.129 174.600 -0.016 0.000 1.010 472 S CA 1.299 59.500 58.200 0.002 0.000 0.972 472 S CB -1.108 62.075 63.200 -0.028 0.000 0.774 472 S HN 0.582 nan 8.310 nan 0.000 0.501 473 T N 1.501 116.039 114.554 -0.026 0.000 3.134 473 T HA 0.415 4.775 4.350 0.016 0.000 0.260 473 T C 0.327 175.158 174.700 0.218 0.000 1.027 473 T CA -0.475 61.562 62.100 -0.106 0.000 0.913 473 T CB -0.244 68.201 68.868 -0.705 0.000 1.046 473 T HN 0.288 nan 8.240 nan 0.000 0.553 474 L N 3.368 124.745 121.223 0.257 0.000 2.540 474 L HA 0.172 4.521 4.340 0.016 0.000 0.276 474 L C -1.591 175.369 176.870 0.150 0.000 1.212 474 L CA -1.479 53.491 54.840 0.218 0.000 0.893 474 L CB -0.011 42.116 42.059 0.113 0.000 1.138 474 L HN -0.049 nan 8.230 nan 0.000 0.491 475 P HA 0.072 nan 4.420 nan 0.000 0.225 475 P C -0.531 176.823 177.300 0.089 0.000 1.768 475 P CA 0.045 63.218 63.100 0.123 0.000 0.943 475 P CB -0.259 31.496 31.700 0.092 0.000 1.936 476 V N -0.359 119.600 119.914 0.075 0.000 2.919 476 V HA 0.835 4.965 4.120 0.016 0.000 0.316 476 V C -0.848 175.294 176.094 0.081 0.000 1.077 476 V CA -1.390 60.902 62.300 -0.013 0.000 0.977 476 V CB 1.790 33.582 31.823 -0.051 0.000 1.039 476 V HN 0.265 nan 8.190 nan 0.000 0.441 477 Y N -0.449 119.869 120.300 0.029 0.000 2.562 477 Y HA 0.834 5.396 4.550 0.019 0.000 0.345 477 Y C -0.250 175.660 175.900 0.017 0.000 1.045 477 Y CA -1.117 56.998 58.100 0.025 0.000 1.028 477 Y CB 1.147 39.621 38.460 0.023 0.000 1.297 477 Y HN 0.597 nan 8.280 nan 0.000 0.463 478 S N 1.290 117.094 115.700 0.172 0.000 2.545 478 S HA 0.586 5.065 4.470 0.016 0.000 0.275 478 S C -0.771 173.857 174.600 0.047 0.000 1.299 478 S CA -0.674 57.565 58.200 0.066 0.000 1.048 478 S CB 1.097 64.332 63.200 0.058 0.000 0.938 478 S HN 0.513 nan 8.310 nan 0.000 0.496 479 V N 2.635 122.500 119.914 -0.080 0.000 2.398 479 V HA 0.514 4.644 4.120 0.016 0.000 0.282 479 V C 0.279 176.260 176.094 -0.188 0.000 1.014 479 V CA -0.912 61.265 62.300 -0.204 0.000 0.838 479 V CB 0.843 32.370 31.823 -0.494 0.000 1.018 479 V HN 0.996 nan 8.190 nan 0.000 0.432 480 A N 3.239 125.995 122.820 -0.107 0.000 2.386 480 A HA 0.899 5.229 4.320 0.016 0.000 0.248 480 A C 0.644 178.222 177.584 -0.009 0.000 1.082 480 A CA 0.560 52.567 52.037 -0.049 0.000 0.789 480 A CB 0.767 19.767 19.000 0.000 0.000 1.025 480 A HN 1.406 nan 8.150 nan 0.000 0.490 481 G N -0.600 108.213 108.800 0.022 0.000 2.601 481 G HA2 0.520 4.490 3.960 0.016 0.000 0.291 481 G HA3 0.520 4.490 3.960 0.016 0.000 0.291 481 G C -1.541 173.387 174.900 0.047 0.000 1.456 481 G CA -0.451 44.671 45.100 0.036 0.000 0.804 481 G HN 0.905 nan 8.290 nan 0.000 0.499 482 Q N 0.003 119.824 119.800 0.036 0.000 2.323 482 Q HA 0.632 4.981 4.340 0.016 0.000 0.271 482 Q C -1.546 174.460 176.000 0.009 0.000 1.048 482 Q CA -0.695 55.120 55.803 0.020 0.000 0.792 482 Q CB 2.592 31.317 28.738 -0.020 0.000 1.280 482 Q HN 0.428 nan 8.270 nan 0.000 0.441 483 V N 3.010 122.942 119.914 0.030 0.000 2.357 483 V HA 0.363 4.493 4.120 0.016 0.000 0.284 483 V C -0.424 175.700 176.094 0.050 0.000 1.018 483 V CA -0.622 61.688 62.300 0.016 0.000 0.841 483 V CB 1.594 33.460 31.823 0.071 0.000 0.991 483 V HN 0.808 nan 8.190 nan 0.000 0.437 484 S N 3.869 119.590 115.700 0.035 0.000 2.545 484 S HA 0.325 4.804 4.470 0.016 0.000 0.275 484 S C -0.188 174.510 174.600 0.163 0.000 1.299 484 S CA -0.409 57.849 58.200 0.096 0.000 1.048 484 S CB 0.296 63.531 63.200 0.059 0.000 0.938 484 S HN 0.762 nan 8.310 nan 0.000 0.496 485 H N 2.962 122.077 119.070 0.075 0.000 2.562 485 H HA 0.521 5.087 4.556 0.016 0.000 0.314 485 H C -0.365 175.054 175.328 0.151 0.000 1.079 485 H CA -0.583 55.524 56.048 0.099 0.000 1.349 485 H CB 0.452 30.252 29.762 0.063 0.000 1.432 485 H HN 0.631 nan 8.280 nan 0.000 0.479 486 I N 3.199 123.734 120.570 -0.057 0.000 2.689 486 I HA 0.555 4.735 4.170 0.016 0.000 0.299 486 I C -3.035 172.998 176.117 -0.139 0.000 1.059 486 I CA -2.842 58.438 61.300 -0.033 0.000 1.055 486 I CB 2.778 40.745 38.000 -0.055 0.000 1.243 486 I HN 0.334 nan 8.210 nan 0.000 0.425 487 P HA 0.133 nan 4.420 nan 0.000 0.278 487 P C -0.231 176.915 177.300 -0.257 0.000 1.238 487 P CA -0.014 62.779 63.100 -0.512 0.000 0.794 487 P CB 1.205 32.717 31.700 -0.314 0.000 0.955 488 T N 1.280 115.717 114.554 -0.195 0.000 2.898 488 T HA 0.384 4.743 4.350 0.016 0.000 0.301 488 T C 0.213 174.876 174.700 -0.061 0.000 1.049 488 T CA 0.308 62.404 62.100 -0.006 0.000 1.095 488 T CB -0.093 68.837 68.868 0.102 0.000 0.976 488 T HN 0.644 nan 8.240 nan 0.000 0.539 489 T N 1.679 116.213 114.554 -0.034 0.000 2.907 489 T HA 0.534 4.894 4.350 0.016 0.000 0.290 489 T C -2.115 172.582 174.700 -0.005 0.000 1.066 489 T CA -1.737 60.346 62.100 -0.029 0.000 1.012 489 T CB 1.249 70.097 68.868 -0.033 0.000 1.184 489 T HN 0.220 nan 8.240 nan 0.000 0.522 490 P HA -0.089 nan 4.420 nan 0.000 0.216 490 P C 1.519 178.824 177.300 0.009 0.000 1.153 490 P CA 1.017 64.118 63.100 0.001 0.000 0.858 490 P CB 0.123 31.823 31.700 -0.000 0.000 0.789 491 E N -0.985 119.228 120.200 0.020 0.000 2.072 491 E HA -0.109 4.250 4.350 0.016 0.000 0.191 491 E C 1.819 178.437 176.600 0.029 0.000 0.985 491 E CA 0.989 57.416 56.400 0.045 0.000 0.801 491 E CB -0.746 29.009 29.700 0.093 0.000 0.750 491 E HN 0.164 nan 8.360 nan 0.000 0.452 492 L N 0.331 121.567 121.223 0.022 0.000 2.341 492 L HA 0.092 4.441 4.340 0.016 0.000 0.214 492 L C 2.066 178.985 176.870 0.082 0.000 1.115 492 L CA 0.801 55.638 54.840 -0.004 0.000 0.820 492 L CB -1.041 40.938 42.059 -0.134 0.000 0.944 492 L HN -0.041 nan 8.230 nan 0.000 0.452 493 A N -1.213 121.646 122.820 0.065 0.000 2.172 493 A HA -0.145 4.185 4.320 0.016 0.000 0.216 493 A C 2.116 179.701 177.584 0.001 0.000 1.154 493 A CA 0.933 52.998 52.037 0.048 0.000 0.701 493 A CB -0.292 18.718 19.000 0.018 0.000 0.789 493 A HN 0.327 nan 8.150 nan 0.000 0.465 494 E N -0.604 119.578 120.200 -0.029 0.000 2.427 494 E HA 0.107 4.467 4.350 0.016 0.000 0.196 494 E C 0.429 176.965 176.600 -0.106 0.000 1.028 494 E CA -0.131 56.226 56.400 -0.071 0.000 0.864 494 E CB -0.164 29.480 29.700 -0.095 0.000 0.813 494 E HN 0.569 nan 8.360 nan 0.000 0.514 495 L N 1.364 122.526 121.223 -0.100 0.000 2.562 495 L HA -0.016 4.334 4.340 0.016 0.000 0.271 495 L C 0.644 177.488 176.870 -0.043 0.000 1.167 495 L CA 0.472 55.244 54.840 -0.113 0.000 0.917 495 L CB 0.445 42.479 42.059 -0.041 0.000 1.187 495 L HN 0.050 nan 8.230 nan 0.000 0.482 496 K N 2.676 123.048 120.400 -0.046 0.000 2.356 496 K HA 0.127 4.456 4.320 0.016 0.000 0.195 496 K C -0.007 176.626 176.600 0.056 0.000 1.037 496 K CA 0.420 56.710 56.287 0.005 0.000 1.014 496 K CB 0.427 32.922 32.500 -0.009 0.000 0.815 496 K HN 0.606 nan 8.250 nan 0.000 0.507 497 Q N -0.223 119.605 119.800 0.047 0.000 2.544 497 Q HA 0.362 4.712 4.340 0.016 0.000 0.291 497 Q C -1.129 174.948 176.000 0.128 0.000 1.068 497 Q CA -1.002 54.863 55.803 0.104 0.000 0.785 497 Q CB 2.647 31.428 28.738 0.072 0.000 1.481 497 Q HN -0.184 nan 8.270 nan 0.000 0.430 498 V N 2.086 122.109 119.914 0.182 0.000 2.488 498 V HA 0.203 4.332 4.120 0.016 0.000 0.277 498 V C -0.199 175.976 176.094 0.135 0.000 1.046 498 V CA -0.088 62.323 62.300 0.185 0.000 0.986 498 V CB 0.248 32.196 31.823 0.208 0.000 0.989 498 V HN 0.461 nan 8.190 nan 0.000 0.475 499 L N 4.671 126.003 121.223 0.182 0.000 2.295 499 L HA 0.490 4.840 4.340 0.016 0.000 0.285 499 L C -0.445 176.584 176.870 0.264 0.000 1.035 499 L CA -0.236 54.744 54.840 0.234 0.000 0.806 499 L CB 1.501 43.746 42.059 0.310 0.000 1.214 499 L HN 0.601 nan 8.230 nan 0.000 0.426 500 C N 2.949 122.354 119.300 0.174 0.000 2.351 500 C HA 0.726 5.195 4.460 0.016 0.000 0.326 500 C C 0.007 175.133 174.990 0.227 0.000 1.272 500 C CA -0.570 58.467 59.018 0.032 0.000 1.650 500 C CB 0.308 27.983 27.740 -0.109 0.000 2.257 500 C HN 0.821 nan 8.230 nan 0.000 0.505 501 Y N -0.412 120.011 120.300 0.204 0.000 3.119 501 Y HA 0.496 5.056 4.550 0.016 0.000 0.247 501 Y C 0.070 176.022 175.900 0.086 0.000 2.296 501 Y CA -0.803 57.382 58.100 0.141 0.000 0.956 501 Y CB -0.171 38.228 38.460 -0.101 0.000 2.059 501 Y HN 0.312 nan 8.280 nan 0.000 0.428 502 D N 1.315 121.669 120.400 -0.077 0.000 2.767 502 D HA 0.456 5.105 4.640 0.016 0.000 0.231 502 D C 0.177 176.397 176.300 -0.132 0.000 1.105 502 D CA 1.692 55.651 54.000 -0.068 0.000 1.024 502 D CB -0.483 40.138 40.800 -0.298 0.000 1.123 502 D HN 1.037 nan 8.370 nan 0.000 0.470 503 G N 0.802 109.383 108.800 -0.366 0.000 2.334 503 G HA2 0.235 4.205 3.960 0.016 0.000 0.315 503 G HA3 0.235 4.205 3.960 0.016 0.000 0.315 503 G C -1.636 172.712 174.900 -0.920 0.000 1.284 503 G CA -0.498 44.311 45.100 -0.485 0.000 0.985 503 G HN 0.351 nan 8.290 nan 0.000 0.504 504 Y N -2.054 117.848 120.300 -0.663 0.000 2.552 504 Y HA 0.846 5.405 4.550 0.015 0.000 0.337 504 Y C -1.343 174.582 175.900 0.042 0.000 1.094 504 Y CA -1.685 56.181 58.100 -0.390 0.000 1.028 504 Y CB 1.885 40.256 38.460 -0.149 0.000 1.321 504 Y HN 1.213 nan 8.280 nan 0.000 0.456 505 L N 3.638 125.079 121.223 0.364 0.000 2.409 505 L HA 0.726 5.076 4.340 0.016 0.000 0.272 505 L C -0.355 176.694 176.870 0.297 0.000 0.980 505 L CA -0.223 54.808 54.840 0.318 0.000 0.826 505 L CB 2.138 44.436 42.059 0.399 0.000 1.268 505 L HN 1.015 nan 8.230 nan 0.000 0.407 506 T N 2.895 117.592 114.554 0.238 0.000 2.918 506 T HA 0.709 5.068 4.350 0.016 0.000 0.283 506 T C -2.574 172.178 174.700 0.088 0.000 1.001 506 T CA -1.799 60.377 62.100 0.128 0.000 1.041 506 T CB 1.244 70.075 68.868 -0.061 0.000 1.028 506 T HN 0.483 nan 8.240 nan 0.000 0.511 507 P HA 0.123 nan 4.420 nan 0.000 0.274 507 P C -0.179 176.743 177.300 -0.631 0.000 1.256 507 P CA -0.587 62.418 63.100 -0.158 0.000 0.795 507 P CB 0.342 32.043 31.700 0.002 0.000 1.038 508 Q N 0.859 120.041 119.800 -1.029 0.000 2.326 508 Q HA -0.101 4.248 4.340 0.016 0.000 0.314 508 Q C 0.107 175.816 176.000 -0.485 0.000 1.091 508 Q CA 0.420 55.696 55.803 -0.878 0.000 0.974 508 Q CB 0.051 28.473 28.738 -0.528 0.000 1.220 508 Q HN 0.276 nan 8.270 nan 0.000 0.398 509 N N 5.134 123.589 118.700 -0.409 0.000 2.420 509 N HA 0.155 4.905 4.740 0.016 0.000 0.249 509 N C -2.056 173.422 175.510 -0.053 0.000 1.033 509 N CA -2.090 50.821 53.050 -0.231 0.000 0.944 509 N CB 1.174 39.517 38.487 -0.240 0.000 1.113 509 N HN 0.394 nan 8.380 nan 0.000 0.502 510 P HA -0.096 nan 4.420 nan 0.000 0.226 510 P C 0.534 177.844 177.300 0.017 0.000 1.146 510 P CA 0.743 63.846 63.100 0.005 0.000 0.773 510 P CB 0.237 31.945 31.700 0.014 0.000 0.772 511 A N -1.011 121.831 122.820 0.037 0.000 2.178 511 A HA 0.020 4.349 4.320 0.016 0.000 0.211 511 A C 1.935 179.550 177.584 0.052 0.000 1.157 511 A CA 0.795 52.855 52.037 0.038 0.000 0.780 511 A CB -0.575 18.451 19.000 0.043 0.000 0.828 511 A HN 0.103 nan 8.150 nan 0.000 0.476 512 N N -1.349 117.392 118.700 0.068 0.000 2.445 512 N HA 0.086 4.835 4.740 0.016 0.000 0.204 512 N C -0.268 175.387 175.510 0.241 0.000 1.098 512 N CA 0.499 53.631 53.050 0.137 0.000 0.859 512 N CB 0.241 38.815 38.487 0.145 0.000 1.249 512 N HN 0.254 nan 8.380 nan 0.000 0.462 513 Q N -0.340 119.517 119.800 0.094 0.000 2.475 513 Q HA -0.196 4.154 4.340 0.016 0.000 0.280 513 Q C -1.213 174.692 176.000 -0.159 0.000 1.234 513 Q CA 0.988 56.782 55.803 -0.014 0.000 0.873 513 Q CB -2.138 26.582 28.738 -0.031 0.000 1.256 513 Q HN 0.535 nan 8.270 nan 0.000 0.475 514 H N -1.225 117.764 119.070 -0.135 0.000 2.851 514 H HA 0.526 5.092 4.556 0.016 0.000 0.372 514 H C -0.340 174.833 175.328 -0.257 0.000 1.158 514 H CA -0.697 55.220 56.048 -0.217 0.000 1.159 514 H CB 1.164 30.644 29.762 -0.471 0.000 1.757 514 H HN 0.213 nan 8.280 nan 0.000 0.546 515 H N 0.355 119.310 119.070 -0.192 0.000 2.595 515 H HA 0.465 5.031 4.556 0.016 0.000 0.346 515 H C -0.520 174.756 175.328 -0.087 0.000 1.181 515 H CA -0.740 55.218 56.048 -0.149 0.000 1.242 515 H CB 1.812 31.512 29.762 -0.104 0.000 1.652 515 H HN 0.396 nan 8.280 nan 0.000 0.548 516 C N 2.324 121.693 119.300 0.114 0.000 2.382 516 C HA 0.523 4.993 4.460 0.016 0.000 0.327 516 C C 0.244 175.274 174.990 0.067 0.000 1.250 516 C CA -0.522 58.582 59.018 0.143 0.000 1.707 516 C CB 0.184 28.027 27.740 0.173 0.000 2.272 516 C HN 0.606 nan 8.230 nan 0.000 0.506 517 I N 2.853 123.414 120.570 -0.015 0.000 2.534 517 I HA 0.735 4.915 4.170 0.016 0.000 0.288 517 I C 0.002 175.948 176.117 -0.286 0.000 1.077 517 I CA 0.379 61.601 61.300 -0.130 0.000 1.051 517 I CB 1.497 39.488 38.000 -0.014 0.000 1.234 517 I HN 0.799 nan 8.210 nan 0.000 0.425 518 G N 4.811 113.216 108.800 -0.658 0.000 2.815 518 G HA2 0.869 4.838 3.960 0.016 0.000 0.305 518 G HA3 0.869 4.838 3.960 0.016 0.000 0.305 518 G C -2.016 172.604 174.900 -0.467 0.000 1.277 518 G CA -0.246 44.526 45.100 -0.547 0.000 0.795 518 G HN 0.878 nan 8.290 nan 0.000 0.528 519 A N -0.527 122.184 122.820 -0.181 0.000 2.539 519 A HA 0.825 5.155 4.320 0.016 0.000 0.296 519 A C 0.107 177.696 177.584 0.008 0.000 1.073 519 A CA 0.251 52.253 52.037 -0.058 0.000 0.700 519 A CB 1.289 20.361 19.000 0.120 0.000 1.296 519 A HN 2.013 nan 8.150 nan 0.000 0.405 520 S N 0.027 115.716 115.700 -0.018 0.000 2.603 520 S HA 0.586 5.065 4.470 0.016 0.000 0.268 520 S C -0.703 173.841 174.600 -0.092 0.000 1.317 520 S CA -0.105 58.038 58.200 -0.095 0.000 1.012 520 S CB 0.653 63.772 63.200 -0.135 0.000 0.926 520 S HN 0.959 nan 8.310 nan 0.000 0.539 521 Y N 1.512 121.568 120.300 -0.407 0.000 2.349 521 Y HA 0.330 4.888 4.550 0.013 0.000 0.324 521 Y C -0.700 174.991 175.900 -0.350 0.000 1.005 521 Y CA -0.597 57.355 58.100 -0.246 0.000 1.240 521 Y CB 0.923 39.328 38.460 -0.092 0.000 1.117 521 Y HN 0.816 nan 8.280 nan 0.000 0.463 522 H N 5.583 124.585 119.070 -0.113 0.000 2.725 522 H HA 0.283 4.848 4.556 0.015 0.000 0.283 522 H C -0.323 174.939 175.328 -0.111 0.000 1.110 522 H CA -0.566 55.447 56.048 -0.058 0.000 1.289 522 H CB 1.001 30.738 29.762 -0.041 0.000 1.400 522 H HN 0.553 nan 8.280 nan 0.000 0.493 523 R N 1.193 121.720 120.500 0.044 0.000 2.316 523 R HA 0.241 4.591 4.340 0.016 0.000 0.314 523 R C 0.599 176.928 176.300 0.048 0.000 1.069 523 R CA 0.850 56.968 56.100 0.030 0.000 0.959 523 R CB 0.071 30.424 30.300 0.089 0.000 0.987 523 R HN 1.008 nan 8.270 nan 0.000 0.446 524 G N 2.461 111.304 108.800 0.072 0.000 2.141 524 G HA2 -0.266 3.703 3.960 0.016 0.000 0.242 524 G HA3 -0.266 3.703 3.960 0.016 0.000 0.242 524 G C -0.170 174.753 174.900 0.037 0.000 0.982 524 G CA 0.405 45.541 45.100 0.059 0.000 0.662 524 G HN 0.671 nan 8.290 nan 0.000 0.527 525 S N -0.506 115.210 115.700 0.026 0.000 2.501 525 S HA 0.656 5.135 4.470 0.016 0.000 0.301 525 S C 0.522 175.105 174.600 -0.028 0.000 1.096 525 S CA -0.207 57.992 58.200 -0.001 0.000 1.063 525 S CB 1.360 64.554 63.200 -0.011 0.000 1.042 525 S HN 0.280 nan 8.310 nan 0.000 0.494 526 E N 2.248 122.427 120.200 -0.035 0.000 2.685 526 E HA 0.112 4.472 4.350 0.016 0.000 0.208 526 E C -1.159 175.399 176.600 -0.069 0.000 0.996 526 E CA -0.194 56.157 56.400 -0.081 0.000 1.054 526 E CB 0.446 30.147 29.700 0.002 0.000 1.075 526 E HN 0.573 nan 8.360 nan 0.000 0.460 527 D N 1.470 121.835 120.400 -0.058 0.000 2.347 527 D HA 0.011 4.661 4.640 0.016 0.000 0.235 527 D C 0.818 177.094 176.300 -0.041 0.000 1.149 527 D CA -0.255 53.719 54.000 -0.044 0.000 0.850 527 D CB 1.108 41.873 40.800 -0.058 0.000 1.061 527 D HN -0.009 nan 8.370 nan 0.000 0.487 528 T N 1.008 115.549 114.554 -0.022 0.000 3.206 528 T HA 0.466 4.826 4.350 0.016 0.000 0.253 528 T C 0.766 175.480 174.700 0.024 0.000 1.042 528 T CA -0.451 61.647 62.100 -0.003 0.000 0.931 528 T CB -0.060 68.810 68.868 0.003 0.000 1.029 528 T HN 0.381 nan 8.240 nan 0.000 0.564 529 A N 1.424 124.255 122.820 0.019 0.000 2.425 529 A HA 0.445 4.775 4.320 0.016 0.000 0.249 529 A C -0.122 177.509 177.584 0.079 0.000 1.084 529 A CA -0.690 51.378 52.037 0.052 0.000 0.781 529 A CB -0.222 18.798 19.000 0.034 0.000 1.019 529 A HN 0.640 nan 8.150 nan 0.000 0.490 530 Y N 2.796 123.097 120.300 0.003 0.000 2.717 530 Y HA 0.242 4.802 4.550 0.017 0.000 0.330 530 Y C 0.788 176.693 175.900 0.008 0.000 1.217 530 Y CA 1.438 59.545 58.100 0.010 0.000 1.506 530 Y CB 0.442 38.908 38.460 0.011 0.000 1.268 530 Y HN 0.619 nan 8.280 nan 0.000 0.561 531 S N 4.748 120.141 115.700 -0.512 0.000 2.449 531 S HA 0.201 4.681 4.470 0.016 0.000 0.310 531 S C 0.626 174.874 174.600 -0.587 0.000 1.096 531 S CA -0.783 57.201 58.200 -0.360 0.000 1.095 531 S CB 1.307 64.396 63.200 -0.185 0.000 1.007 531 S HN 0.891 nan 8.310 nan 0.000 0.474 532 E N 3.697 123.771 120.200 -0.209 0.000 2.106 532 E HA -0.096 4.264 4.350 0.016 0.000 0.192 532 E C 0.889 177.448 176.600 -0.067 0.000 0.984 532 E CA 1.852 58.225 56.400 -0.046 0.000 0.806 532 E CB -0.113 29.666 29.700 0.132 0.000 0.750 532 E HN 0.775 nan 8.360 nan 0.000 0.458 533 D N 0.447 120.814 120.400 -0.055 0.000 2.117 533 D HA -0.137 4.513 4.640 0.016 0.000 0.197 533 D C 1.339 177.619 176.300 -0.034 0.000 0.987 533 D CA 1.315 55.300 54.000 -0.026 0.000 0.829 533 D CB -0.352 40.445 40.800 -0.005 0.000 0.961 533 D HN 0.241 nan 8.370 nan 0.000 0.460 534 D N 0.018 120.383 120.400 -0.060 0.000 2.097 534 D HA -0.143 4.507 4.640 0.016 0.000 0.195 534 D C 2.005 178.256 176.300 -0.082 0.000 0.989 534 D CA 0.804 54.778 54.000 -0.044 0.000 0.827 534 D CB -0.327 40.455 40.800 -0.031 0.000 0.966 534 D HN 0.111 nan 8.370 nan 0.000 0.456 535 Q N 0.282 119.993 119.800 -0.149 0.000 2.045 535 Q HA -0.196 4.154 4.340 0.016 0.000 0.206 535 Q C 2.027 178.010 176.000 -0.029 0.000 0.991 535 Q CA 1.614 57.365 55.803 -0.086 0.000 0.851 535 Q CB -0.096 28.603 28.738 -0.065 0.000 0.911 535 Q HN 0.121 nan 8.270 nan 0.000 0.418 536 Q N -0.132 119.656 119.800 -0.022 0.000 2.124 536 Q HA -0.197 4.152 4.340 0.016 0.000 0.202 536 Q C 1.915 177.900 176.000 -0.024 0.000 0.977 536 Q CA 1.636 57.431 55.803 -0.013 0.000 0.850 536 Q CB -0.291 28.442 28.738 -0.008 0.000 0.901 536 Q HN 0.601 nan 8.270 nan 0.000 0.429 537 Q N 0.150 119.934 119.800 -0.026 0.000 2.230 537 Q HA -0.095 4.255 4.340 0.016 0.000 0.202 537 Q C 1.280 177.261 176.000 -0.031 0.000 0.963 537 Q CA 0.605 56.392 55.803 -0.027 0.000 0.866 537 Q CB 0.242 28.970 28.738 -0.016 0.000 0.931 537 Q HN 0.303 nan 8.270 nan 0.000 0.452 538 N N 0.662 119.343 118.700 -0.032 0.000 2.188 538 N HA -0.153 4.597 4.740 0.016 0.000 0.184 538 N C 1.623 177.124 175.510 -0.015 0.000 1.018 538 N CA 0.958 53.989 53.050 -0.030 0.000 0.858 538 N CB -0.221 38.239 38.487 -0.045 0.000 0.989 538 N HN 0.251 nan 8.380 nan 0.000 0.426 539 R N 0.565 121.050 120.500 -0.026 0.000 2.062 539 R HA -0.068 4.282 4.340 0.016 0.000 0.229 539 R C 1.993 178.252 176.300 -0.069 0.000 1.128 539 R CA 1.182 57.257 56.100 -0.041 0.000 0.960 539 R CB -0.030 30.246 30.300 -0.041 0.000 0.855 539 R HN 0.032 nan 8.270 nan 0.000 0.432 540 Q N 0.624 120.385 119.800 -0.065 0.000 2.119 540 Q HA -0.068 4.282 4.340 0.016 0.000 0.201 540 Q C 1.908 177.834 176.000 -0.124 0.000 0.972 540 Q CA 1.561 57.311 55.803 -0.088 0.000 0.847 540 Q CB 0.008 28.707 28.738 -0.065 0.000 0.903 540 Q HN 0.235 nan 8.270 nan 0.000 0.433 541 R N -0.400 120.039 120.500 -0.100 0.000 2.120 541 R HA -0.084 4.265 4.340 0.016 0.000 0.234 541 R C 2.148 178.297 176.300 -0.251 0.000 1.123 541 R CA 1.126 57.145 56.100 -0.134 0.000 0.975 541 R CB -0.393 29.882 30.300 -0.042 0.000 0.866 541 R HN 0.357 nan 8.270 nan 0.000 0.446 542 L N 0.686 121.771 121.223 -0.231 0.000 2.072 542 L HA -0.117 4.233 4.340 0.016 0.000 0.205 542 L C 2.051 178.653 176.870 -0.446 0.000 1.079 542 L CA 1.458 56.007 54.840 -0.485 0.000 0.752 542 L CB -0.155 41.727 42.059 -0.295 0.000 0.906 542 L HN 0.173 nan 8.230 nan 0.000 0.436 543 I N 0.180 120.563 120.570 -0.311 0.000 2.315 543 I HA -0.289 3.891 4.170 0.016 0.000 0.248 543 I C 1.963 177.909 176.117 -0.285 0.000 1.117 543 I CA 1.136 62.268 61.300 -0.280 0.000 1.404 543 I CB -0.260 37.617 38.000 -0.204 0.000 1.071 543 I HN 0.235 nan 8.210 nan 0.000 0.419 544 D N 0.016 120.243 120.400 -0.289 0.000 2.178 544 D HA -0.145 4.505 4.640 0.016 0.000 0.201 544 D C 2.216 178.281 176.300 -0.391 0.000 0.980 544 D CA 1.084 54.924 54.000 -0.267 0.000 0.842 544 D CB -0.310 40.361 40.800 -0.215 0.000 0.948 544 D HN 0.362 nan 8.370 nan 0.000 0.472 545 C N -0.248 118.627 119.300 -0.709 0.000 2.467 545 C HA 0.002 4.472 4.460 0.016 0.000 0.279 545 C C 0.588 174.921 174.990 -1.095 0.000 1.347 545 C CA -0.010 58.334 59.018 -1.125 0.000 1.748 545 C CB -0.778 25.832 27.740 -1.882 0.000 1.977 545 C HN 0.092 nan 8.230 nan 0.000 0.501 546 F N 0.270 120.058 119.950 -0.271 0.000 2.686 546 F HA 0.348 4.885 4.527 0.017 0.000 0.365 546 F C -2.033 173.604 175.800 -0.271 0.000 1.196 546 F CA -2.320 55.542 58.000 -0.230 0.000 1.198 546 F CB -0.095 38.731 39.000 -0.291 0.000 1.454 546 F HN -0.025 nan 8.300 nan 0.000 0.539 547 P HA -0.076 nan 4.420 nan 0.000 0.229 547 P C 0.935 178.176 177.300 -0.098 0.000 1.160 547 P CA 1.244 64.281 63.100 -0.106 0.000 0.777 547 P CB 0.303 31.961 31.700 -0.070 0.000 0.814 548 Q N -0.919 118.839 119.800 -0.070 0.000 2.356 548 Q HA 0.252 4.602 4.340 0.016 0.000 0.205 548 Q C 0.599 176.519 176.000 -0.135 0.000 0.901 548 Q CA -0.265 55.495 55.803 -0.071 0.000 0.938 548 Q CB 0.115 28.843 28.738 -0.017 0.000 1.081 548 Q HN 0.077 nan 8.270 nan 0.000 0.517 549 A N 1.010 123.676 122.820 -0.258 0.000 2.444 549 A HA 0.282 4.612 4.320 0.016 0.000 0.287 549 A C 1.220 178.478 177.584 -0.544 0.000 1.195 549 A CA 0.413 52.116 52.037 -0.556 0.000 0.858 549 A CB 0.019 18.311 19.000 -1.180 0.000 1.117 549 A HN 0.426 nan 8.150 nan 0.000 0.521 550 Q N 3.459 123.083 119.800 -0.292 0.000 2.224 550 Q HA -0.145 4.204 4.340 0.016 0.000 0.203 550 Q C 1.746 177.670 176.000 -0.127 0.000 0.970 550 Q CA 1.756 57.463 55.803 -0.161 0.000 0.865 550 Q CB -0.987 27.724 28.738 -0.044 0.000 0.922 550 Q HN 1.158 nan 8.270 nan 0.000 0.445 551 W N -0.891 120.374 121.300 -0.058 0.000 2.402 551 W HA 0.202 4.871 4.660 0.015 0.000 0.286 551 W C 1.862 178.327 176.519 -0.089 0.000 1.221 551 W CA 0.924 58.224 57.345 -0.075 0.000 1.257 551 W CB -0.699 28.711 29.460 -0.082 0.000 1.120 551 W HN 0.407 nan 8.180 nan 0.000 0.551 552 A N 1.647 124.047 122.820 -0.700 0.000 2.015 552 A HA -0.123 4.206 4.320 0.016 0.000 0.219 552 A C 2.041 179.462 177.584 -0.272 0.000 1.163 552 A CA 1.651 53.337 52.037 -0.584 0.000 0.646 552 A CB -0.609 17.835 19.000 -0.925 0.000 0.806 552 A HN 0.268 nan 8.150 nan 0.000 0.448 553 K N 0.015 120.272 120.400 -0.237 0.000 2.366 553 K HA -0.000 4.329 4.320 0.016 0.000 0.198 553 K C 1.373 177.919 176.600 -0.090 0.000 1.044 553 K CA 0.826 57.025 56.287 -0.146 0.000 0.973 553 K CB 0.093 32.514 32.500 -0.131 0.000 0.767 553 K HN 0.491 nan 8.250 nan 0.000 0.475 554 E N 0.497 120.659 120.200 -0.065 0.000 2.482 554 E HA -0.030 4.330 4.350 0.016 0.000 0.196 554 E C -0.168 176.398 176.600 -0.056 0.000 1.047 554 E CA 0.178 56.554 56.400 -0.040 0.000 0.869 554 E CB 0.252 29.948 29.700 -0.006 0.000 0.836 554 E HN -0.008 nan 8.360 nan 0.000 0.520 555 V N 2.856 122.731 119.914 -0.065 0.000 2.540 555 V HA -0.065 4.065 4.120 0.016 0.000 0.297 555 V C 0.086 176.144 176.094 -0.060 0.000 1.024 555 V CA 0.467 62.720 62.300 -0.077 0.000 1.105 555 V CB 0.660 32.444 31.823 -0.066 0.000 0.938 555 V HN 0.069 nan 8.190 nan 0.000 0.482 556 D N 4.036 124.402 120.400 -0.056 0.000 2.505 556 D HA 0.348 4.998 4.640 0.016 0.000 0.250 556 D C 0.220 176.515 176.300 -0.009 0.000 1.164 556 D CA -0.500 53.481 54.000 -0.032 0.000 0.870 556 D CB 1.929 42.707 40.800 -0.037 0.000 1.160 556 D HN 0.295 nan 8.370 nan 0.000 0.549 557 V N 1.808 121.728 119.914 0.010 0.000 3.483 557 V HA 0.161 4.291 4.120 0.016 0.000 0.301 557 V C 1.562 177.694 176.094 0.063 0.000 1.389 557 V CA 0.612 62.938 62.300 0.043 0.000 1.101 557 V CB -0.389 31.462 31.823 0.046 0.000 0.971 557 V HN 0.473 nan 8.190 nan 0.000 0.434 558 S N -0.064 115.660 115.700 0.041 0.000 2.469 558 S HA -0.204 4.276 4.470 0.016 0.000 0.238 558 S C 1.350 175.975 174.600 0.041 0.000 0.998 558 S CA 1.451 59.674 58.200 0.039 0.000 0.957 558 S CB -0.617 62.595 63.200 0.020 0.000 0.764 558 S HN 0.647 nan 8.310 nan 0.000 0.514 559 D N 2.001 122.431 120.400 0.050 0.000 2.348 559 D HA -0.015 4.634 4.640 0.016 0.000 0.216 559 D C 0.389 176.706 176.300 0.028 0.000 0.970 559 D CA 0.563 54.590 54.000 0.045 0.000 0.889 559 D CB -0.162 40.683 40.800 0.074 0.000 0.912 559 D HN 0.528 nan 8.370 nan 0.000 0.524 560 K N 0.623 121.059 120.400 0.060 0.000 3.088 560 K HA -0.214 4.116 4.320 0.016 0.000 0.273 560 K C -0.384 176.234 176.600 0.030 0.000 1.111 560 K CA 0.593 56.906 56.287 0.044 0.000 0.803 560 K CB -1.970 30.419 32.500 -0.184 0.000 1.226 560 K HN 0.387 nan 8.250 nan 0.000 0.485 561 E N 0.234 120.505 120.200 0.118 0.000 2.229 561 E HA 0.534 4.894 4.350 0.016 0.000 0.283 561 E C -0.098 176.630 176.600 0.214 0.000 1.030 561 E CA -0.100 56.380 56.400 0.133 0.000 0.836 561 E CB 1.230 31.021 29.700 0.153 0.000 1.068 561 E HN 0.407 nan 8.360 nan 0.000 0.401 562 A N 3.472 126.409 122.820 0.195 0.000 2.586 562 A HA 0.712 5.041 4.320 0.016 0.000 0.290 562 A C -1.386 176.267 177.584 0.116 0.000 1.086 562 A CA -0.801 51.347 52.037 0.185 0.000 0.665 562 A CB 1.683 20.829 19.000 0.245 0.000 1.279 562 A HN 0.538 nan 8.150 nan 0.000 0.423 563 R N -0.371 120.179 120.500 0.083 0.000 2.621 563 R HA 0.719 5.069 4.340 0.016 0.000 0.292 563 R C -1.693 174.643 176.300 0.061 0.000 0.969 563 R CA -0.042 56.092 56.100 0.057 0.000 0.887 563 R CB 1.571 31.887 30.300 0.027 0.000 1.180 563 R HN 0.880 nan 8.270 nan 0.000 0.450 564 C N 2.862 122.194 119.300 0.055 0.000 2.455 564 C HA 0.971 5.440 4.460 0.016 0.000 0.320 564 C C 0.230 175.235 174.990 0.025 0.000 1.226 564 C CA -0.347 58.696 59.018 0.041 0.000 1.569 564 C CB 1.087 28.853 27.740 0.043 0.000 2.200 564 C HN 0.963 nan 8.230 nan 0.000 0.491 565 G N 1.045 109.851 108.800 0.010 0.000 2.727 565 G HA2 0.714 4.684 3.960 0.016 0.000 0.289 565 G HA3 0.714 4.684 3.960 0.016 0.000 0.289 565 G C -1.807 173.049 174.900 -0.074 0.000 1.418 565 G CA -0.387 44.703 45.100 -0.016 0.000 0.818 565 G HN 0.617 nan 8.290 nan 0.000 0.486 566 V N 0.883 120.707 119.914 -0.150 0.000 2.376 566 V HA 0.446 4.576 4.120 0.016 0.000 0.287 566 V C 0.231 176.244 176.094 -0.135 0.000 1.015 566 V CA -0.853 61.289 62.300 -0.264 0.000 0.834 566 V CB 0.972 32.331 31.823 -0.774 0.000 1.001 566 V HN 0.700 nan 8.190 nan 0.000 0.428 567 R N 2.137 122.586 120.500 -0.086 0.000 2.641 567 R HA 0.464 4.814 4.340 0.016 0.000 0.269 567 R C -0.208 176.065 176.300 -0.045 0.000 1.074 567 R CA -0.231 55.845 56.100 -0.040 0.000 1.133 567 R CB 0.863 31.141 30.300 -0.038 0.000 1.029 567 R HN 0.714 nan 8.270 nan 0.000 0.488 568 C N 2.319 121.601 119.300 -0.029 0.000 2.301 568 C HA 0.792 5.262 4.460 0.016 0.000 0.323 568 C C -0.203 174.693 174.990 -0.157 0.000 1.265 568 C CA -0.178 58.800 59.018 -0.068 0.000 1.503 568 C CB -0.390 27.349 27.740 -0.001 0.000 2.195 568 C HN 0.815 nan 8.230 nan 0.000 0.477 569 A N 4.357 126.949 122.820 -0.379 0.000 2.387 569 A HA 0.990 5.320 4.320 0.016 0.000 0.303 569 A C -0.057 177.155 177.584 -0.620 0.000 1.145 569 A CA -0.277 51.487 52.037 -0.455 0.000 0.801 569 A CB 1.533 20.272 19.000 -0.435 0.000 1.342 569 A HN 1.035 nan 8.150 nan 0.000 0.440 570 T N -2.018 112.337 114.554 -0.331 0.000 2.924 570 T HA 0.535 4.894 4.350 0.016 0.000 0.291 570 T C 0.634 175.310 174.700 -0.040 0.000 1.045 570 T CA -0.721 61.281 62.100 -0.164 0.000 1.015 570 T CB 1.597 70.411 68.868 -0.090 0.000 1.103 570 T HN 0.524 nan 8.240 nan 0.000 0.496 571 R N 0.700 121.274 120.500 0.123 0.000 2.105 571 R HA -0.068 4.281 4.340 0.016 0.000 0.239 571 R C 1.497 177.614 176.300 -0.306 0.000 1.135 571 R CA 1.974 58.082 56.100 0.012 0.000 0.967 571 R CB -0.371 29.966 30.300 0.060 0.000 0.861 571 R HN 0.857 nan 8.270 nan 0.000 0.442 572 D N -1.305 118.979 120.400 -0.194 0.000 2.328 572 D HA -0.077 4.572 4.640 0.016 0.000 0.221 572 D C -0.163 176.103 176.300 -0.058 0.000 1.072 572 D CA 0.056 53.975 54.000 -0.135 0.000 0.850 572 D CB -0.159 40.634 40.800 -0.012 0.000 0.922 572 D HN 0.320 nan 8.370 nan 0.000 0.516 573 H N -1.292 117.834 119.070 0.093 0.000 3.366 573 H HA -0.175 4.392 4.556 0.018 0.000 0.233 573 H C -0.235 175.192 175.328 0.165 0.000 1.102 573 H CA 0.791 56.906 56.048 0.112 0.000 1.184 573 H CB -1.990 27.829 29.762 0.095 0.000 1.216 573 H HN 0.338 nan 8.280 nan 0.000 0.317 574 L N 1.367 122.670 121.223 0.133 0.000 2.334 574 L HA 0.399 4.749 4.340 0.016 0.000 0.275 574 L C -1.689 175.119 176.870 -0.104 0.000 1.036 574 L CA -1.780 53.056 54.840 -0.007 0.000 0.807 574 L CB 1.225 43.208 42.059 -0.127 0.000 1.231 574 L HN -0.232 nan 8.230 nan 0.000 0.438 575 P HA 0.079 nan 4.420 nan 0.000 0.271 575 P C -0.814 176.392 177.300 -0.157 0.000 1.238 575 P CA 0.057 63.069 63.100 -0.148 0.000 0.794 575 P CB 0.450 32.040 31.700 -0.184 0.000 0.959 576 M N 0.939 120.492 119.600 -0.079 0.000 2.006 576 M HA 0.284 4.774 4.480 0.016 0.000 0.314 576 M C -1.380 174.895 176.300 -0.042 0.000 0.926 576 M CA -0.437 54.818 55.300 -0.075 0.000 0.906 576 M CB 0.998 33.566 32.600 -0.053 0.000 1.422 576 M HN -0.042 nan 8.290 nan 0.000 0.397 577 V N 2.231 122.085 119.914 -0.099 0.000 2.483 577 V HA 0.985 5.115 4.120 0.016 0.000 0.297 577 V C 0.295 176.348 176.094 -0.069 0.000 1.027 577 V CA -0.351 61.881 62.300 -0.114 0.000 0.855 577 V CB 1.484 33.137 31.823 -0.283 0.000 0.995 577 V HN 1.047 nan 8.190 nan 0.000 0.424 578 G N 4.465 113.280 108.800 0.024 0.000 2.373 578 G HA2 0.037 4.007 3.960 0.016 0.000 0.250 578 G HA3 0.037 4.007 3.960 0.016 0.000 0.250 578 G C -1.075 173.945 174.900 0.200 0.000 1.304 578 G CA -0.941 44.229 45.100 0.116 0.000 0.948 578 G HN 0.622 nan 8.290 nan 0.000 0.474 579 N N -0.430 118.343 118.700 0.122 0.000 2.492 579 N HA 0.371 5.120 4.740 0.016 0.000 0.260 579 N C 0.142 175.670 175.510 0.031 0.000 1.215 579 N CA -0.122 52.888 53.050 -0.067 0.000 0.923 579 N CB 1.688 40.146 38.487 -0.049 0.000 1.092 579 N HN 0.384 nan 8.380 nan 0.000 0.448 580 V N 4.168 124.108 119.914 0.044 0.000 2.470 580 V HA 0.185 4.314 4.120 0.016 0.000 0.276 580 V C -1.722 174.558 176.094 0.309 0.000 1.040 580 V CA -1.100 61.319 62.300 0.198 0.000 1.008 580 V CB 0.412 32.377 31.823 0.235 0.000 0.990 580 V HN 0.679 nan 8.190 nan 0.000 0.477 581 P HA 0.216 nan 4.420 nan 0.000 0.286 581 P C -0.903 176.597 177.300 0.334 0.000 1.261 581 P CA -0.549 62.728 63.100 0.295 0.000 0.821 581 P CB 1.040 32.966 31.700 0.377 0.000 1.013 582 D N 1.585 121.969 120.400 -0.026 0.000 2.380 582 D HA 0.013 4.662 4.640 0.016 0.000 0.230 582 D C 0.717 177.022 176.300 0.008 0.000 1.154 582 D CA -0.397 53.463 54.000 -0.234 0.000 0.859 582 D CB 0.108 40.526 40.800 -0.637 0.000 1.045 582 D HN 0.277 nan 8.370 nan 0.000 0.495 583 Y N 4.646 124.918 120.300 -0.045 0.000 2.089 583 Y HA -0.195 4.361 4.550 0.011 0.000 0.282 583 Y C 1.765 177.477 175.900 -0.314 0.000 1.139 583 Y CA 1.645 59.525 58.100 -0.366 0.000 1.123 583 Y CB 0.265 38.446 38.460 -0.465 0.000 0.980 583 Y HN 0.398 nan 8.280 nan 0.000 0.493 584 E N 0.272 120.357 120.200 -0.191 0.000 2.085 584 E HA -0.216 4.143 4.350 0.016 0.000 0.194 584 E C 2.365 178.804 176.600 -0.269 0.000 0.994 584 E CA 1.290 57.540 56.400 -0.250 0.000 0.801 584 E CB -0.772 28.887 29.700 -0.068 0.000 0.743 584 E HN 0.572 nan 8.360 nan 0.000 0.453 585 A N 0.741 123.425 122.820 -0.227 0.000 2.014 585 A HA -0.090 4.239 4.320 0.016 0.000 0.218 585 A C 2.389 179.783 177.584 -0.317 0.000 1.163 585 A CA 1.617 53.508 52.037 -0.243 0.000 0.652 585 A CB -0.611 18.250 19.000 -0.231 0.000 0.808 585 A HN 0.199 nan 8.150 nan 0.000 0.449 586 T N 0.212 114.568 114.554 -0.329 0.000 2.708 586 T HA -0.100 4.260 4.350 0.016 0.000 0.266 586 T C 1.706 176.192 174.700 -0.356 0.000 1.037 586 T CA 1.512 63.394 62.100 -0.364 0.000 1.146 586 T CB -0.263 68.534 68.868 -0.119 0.000 0.865 586 T HN 0.230 nan 8.240 nan 0.000 0.435 587 L N 0.710 121.693 121.223 -0.401 0.000 2.093 587 L HA 0.015 4.364 4.340 0.016 0.000 0.208 587 L C 2.494 179.229 176.870 -0.226 0.000 1.085 587 L CA 1.127 55.761 54.840 -0.343 0.000 0.755 587 L CB -0.786 40.968 42.059 -0.508 0.000 0.904 587 L HN 0.129 nan 8.230 nan 0.000 0.435 588 V N -0.986 118.791 119.914 -0.229 0.000 2.283 588 V HA -0.178 3.952 4.120 0.016 0.000 0.243 588 V C 2.442 178.453 176.094 -0.138 0.000 1.039 588 V CA 1.316 63.520 62.300 -0.161 0.000 1.016 588 V CB -0.402 31.333 31.823 -0.147 0.000 0.650 588 V HN 0.387 nan 8.190 nan 0.000 0.449 589 E N -0.720 119.354 120.200 -0.210 0.000 2.204 589 E HA -0.120 4.240 4.350 0.016 0.000 0.194 589 E C 1.218 177.802 176.600 -0.026 0.000 0.989 589 E CA 1.184 57.466 56.400 -0.196 0.000 0.824 589 E CB -0.043 29.433 29.700 -0.374 0.000 0.756 589 E HN 0.780 nan 8.360 nan 0.000 0.477 590 Y N -0.764 119.488 120.300 -0.079 0.000 2.720 590 Y HA 0.344 4.902 4.550 0.014 0.000 0.277 590 Y C 1.718 177.556 175.900 -0.103 0.000 1.144 590 Y CA -0.507 57.539 58.100 -0.089 0.000 1.221 590 Y CB 0.506 38.907 38.460 -0.097 0.000 1.163 590 Y HN -0.026 nan 8.280 nan 0.000 0.537 591 A N 0.641 123.482 122.820 0.035 0.000 1.883 591 A HA -0.195 4.135 4.320 0.016 0.000 0.217 591 A C 1.690 179.263 177.584 -0.018 0.000 1.186 591 A CA 1.991 54.018 52.037 -0.017 0.000 0.624 591 A CB -0.564 18.414 19.000 -0.037 0.000 0.822 591 A HN 0.334 nan 8.150 nan 0.000 0.444 592 S N -1.110 114.584 115.700 -0.011 0.000 2.312 592 S HA 0.511 4.990 4.470 0.016 0.000 0.211 592 S C 0.601 175.174 174.600 -0.045 0.000 1.315 592 S CA -0.440 57.743 58.200 -0.029 0.000 1.267 592 S CB 0.289 63.475 63.200 -0.023 0.000 1.072 592 S HN 0.375 nan 8.310 nan 0.000 0.490 593 L N 0.885 122.061 121.223 -0.079 0.000 2.313 593 L HA 0.113 4.463 4.340 0.016 0.000 0.214 593 L C 2.514 179.254 176.870 -0.216 0.000 1.119 593 L CA 1.059 55.791 54.840 -0.179 0.000 0.809 593 L CB -0.441 41.416 42.059 -0.338 0.000 0.933 593 L HN 0.685 nan 8.230 nan 0.000 0.449 594 A N 0.060 122.782 122.820 -0.164 0.000 2.178 594 A HA -0.161 4.169 4.320 0.016 0.000 0.218 594 A C 1.673 179.194 177.584 -0.105 0.000 1.157 594 A CA 1.658 53.607 52.037 -0.147 0.000 0.689 594 A CB -0.232 18.705 19.000 -0.105 0.000 0.787 594 A HN 0.663 nan 8.150 nan 0.000 0.465 595 E N -3.088 117.062 120.200 -0.084 0.000 2.743 595 E HA 0.236 4.596 4.350 0.016 0.000 0.222 595 E C 0.474 177.050 176.600 -0.040 0.000 0.959 595 E CA 0.713 57.081 56.400 -0.054 0.000 1.198 595 E CB -0.560 29.117 29.700 -0.038 0.000 1.100 595 E HN 0.495 nan 8.360 nan 0.000 0.518 596 Q N 1.486 121.257 119.800 -0.048 0.000 2.158 596 Q HA 0.315 4.664 4.340 0.016 0.000 0.306 596 Q C 1.085 177.077 176.000 -0.014 0.000 0.878 596 Q CA -0.268 55.524 55.803 -0.019 0.000 1.136 596 Q CB -0.076 28.660 28.738 -0.003 0.000 1.253 596 Q HN 0.158 nan 8.270 nan 0.000 0.441 597 K N 0.165 120.545 120.400 -0.035 0.000 2.103 597 K HA -0.148 4.181 4.320 0.016 0.000 0.207 597 K C 0.744 177.423 176.600 0.132 0.000 1.048 597 K CA 1.640 57.936 56.287 0.015 0.000 0.930 597 K CB 0.277 32.783 32.500 0.009 0.000 0.716 597 K HN 0.484 nan 8.250 nan 0.000 0.444 598 D N 0.255 120.700 120.400 0.076 0.000 2.224 598 D HA -0.110 4.540 4.640 0.016 0.000 0.205 598 D C 1.784 178.120 176.300 0.061 0.000 0.965 598 D CA 1.350 55.390 54.000 0.067 0.000 0.852 598 D CB 0.118 40.942 40.800 0.039 0.000 0.947 598 D HN 0.425 nan 8.370 nan 0.000 0.494 599 E N 0.078 120.313 120.200 0.059 0.000 2.463 599 E HA 0.483 4.843 4.350 0.016 0.000 0.193 599 E C 0.740 177.394 176.600 0.090 0.000 1.041 599 E CA 0.268 56.702 56.400 0.057 0.000 0.879 599 E CB -0.358 29.366 29.700 0.040 0.000 0.997 599 E HN 0.306 nan 8.360 nan 0.000 0.478 600 A N 0.783 123.681 122.820 0.130 0.000 2.520 600 A HA 0.494 4.824 4.320 0.016 0.000 0.245 600 A C 0.996 178.712 177.584 0.219 0.000 1.072 600 A CA 0.296 52.458 52.037 0.208 0.000 0.761 600 A CB -0.157 18.985 19.000 0.236 0.000 1.004 600 A HN 1.068 nan 8.150 nan 0.000 0.499 601 V N 1.589 121.670 119.914 0.278 0.000 3.133 601 V HA 0.505 4.635 4.120 0.016 0.000 0.305 601 V C 0.875 177.109 176.094 0.234 0.000 1.084 601 V CA -0.268 62.143 62.300 0.184 0.000 1.089 601 V CB 0.835 32.715 31.823 0.096 0.000 1.073 601 V HN 0.939 nan 8.190 nan 0.000 0.477 602 S N 1.809 117.581 115.700 0.120 0.000 2.558 602 S HA 0.365 4.844 4.470 0.016 0.000 0.291 602 S C 0.686 175.373 174.600 0.145 0.000 1.306 602 S CA -0.040 58.222 58.200 0.103 0.000 1.056 602 S CB -0.123 63.104 63.200 0.045 0.000 0.836 602 S HN 1.913 nan 8.310 nan 0.000 0.504 603 A N 6.433 129.363 122.820 0.182 0.000 2.563 603 A HA 0.230 4.560 4.320 0.016 0.000 0.256 603 A C -2.299 175.312 177.584 0.044 0.000 1.056 603 A CA -0.632 51.520 52.037 0.191 0.000 0.775 603 A CB -0.612 18.507 19.000 0.198 0.000 0.973 603 A HN 0.609 nan 8.150 nan 0.000 0.516 604 P HA 0.285 nan 4.420 nan 0.000 0.270 604 P C -0.227 177.003 177.300 -0.117 0.000 1.242 604 P CA 0.157 63.175 63.100 -0.137 0.000 0.768 604 P CB 0.626 32.181 31.700 -0.242 0.000 0.820 605 V N 1.038 120.877 119.914 -0.126 0.000 3.155 605 V HA 0.611 4.740 4.120 0.016 0.000 0.313 605 V C -0.661 175.318 176.094 -0.191 0.000 1.162 605 V CA -1.170 61.064 62.300 -0.109 0.000 1.048 605 V CB 1.489 33.308 31.823 -0.007 0.000 1.092 605 V HN 0.067 nan 8.190 nan 0.000 0.447 606 F N 0.753 120.757 119.950 0.090 0.000 2.396 606 F HA 0.477 5.013 4.527 0.015 0.000 0.343 606 F C 0.753 176.636 175.800 0.139 0.000 1.104 606 F CA -0.145 57.956 58.000 0.169 0.000 1.161 606 F CB 0.595 39.767 39.000 0.286 0.000 1.146 606 F HN 0.511 nan 8.300 nan 0.000 0.522 607 D N 3.517 124.128 120.400 0.352 0.000 2.390 607 D HA 0.024 4.674 4.640 0.016 0.000 0.249 607 D C 0.155 176.655 176.300 0.334 0.000 1.144 607 D CA 0.560 54.688 54.000 0.213 0.000 0.880 607 D CB 0.490 41.353 40.800 0.105 0.000 1.182 607 D HN 0.535 nan 8.370 nan 0.000 0.451 608 D N 0.847 121.376 120.400 0.214 0.000 2.837 608 D HA -0.230 4.420 4.640 0.016 0.000 0.230 608 D C -0.232 176.274 176.300 0.344 0.000 1.152 608 D CA 0.455 54.669 54.000 0.356 0.000 0.736 608 D CB -1.083 39.987 40.800 0.449 0.000 1.084 608 D HN 0.188 nan 8.370 nan 0.000 0.429 609 L N 0.111 121.295 121.223 -0.064 0.000 2.376 609 L HA 0.606 4.956 4.340 0.016 0.000 0.275 609 L C -1.121 175.493 176.870 -0.427 0.000 0.987 609 L CA -0.540 54.214 54.840 -0.144 0.000 0.828 609 L CB 1.219 43.247 42.059 -0.053 0.000 1.249 609 L HN -0.102 nan 8.230 nan 0.000 0.409 610 F N 4.604 124.545 119.950 -0.015 0.000 2.631 610 F HA 0.776 5.313 4.527 0.016 0.000 0.328 610 F C 0.112 175.901 175.800 -0.018 0.000 1.067 610 F CA -0.768 57.233 58.000 0.002 0.000 0.969 610 F CB 2.072 41.057 39.000 -0.024 0.000 1.332 610 F HN 0.460 nan 8.300 nan 0.000 0.490 611 M N 1.228 120.953 119.600 0.208 0.000 2.501 611 M HA 0.560 5.049 4.480 0.016 0.000 0.293 611 M C -2.034 174.378 176.300 0.187 0.000 1.192 611 M CA -0.571 54.822 55.300 0.155 0.000 0.886 611 M CB 3.347 36.017 32.600 0.117 0.000 1.710 611 M HN 0.661 nan 8.290 nan 0.000 0.457 612 F N 2.209 122.161 119.950 0.003 0.000 2.771 612 F HA 0.851 5.387 4.527 0.015 0.000 0.365 612 F C -1.320 174.468 175.800 -0.020 0.000 1.169 612 F CA -0.454 57.531 58.000 -0.025 0.000 1.093 612 F CB 0.947 39.921 39.000 -0.044 0.000 1.363 612 F HN 1.034 nan 8.300 nan 0.000 0.496 613 A N 3.431 126.439 122.820 0.314 0.000 2.568 613 A HA 0.773 5.103 4.320 0.016 0.000 0.291 613 A C 0.063 177.697 177.584 0.082 0.000 1.159 613 A CA -0.371 51.743 52.037 0.129 0.000 0.679 613 A CB 0.976 20.025 19.000 0.081 0.000 1.285 613 A HN 1.868 nan 8.150 nan 0.000 0.428 614 A N -0.788 122.049 122.820 0.028 0.000 2.578 614 A HA -0.102 4.228 4.320 0.016 0.000 0.298 614 A C 0.377 177.973 177.584 0.021 0.000 1.472 614 A CA 1.077 53.108 52.037 -0.009 0.000 0.734 614 A CB -2.378 16.594 19.000 -0.047 0.000 1.091 614 A HN 1.310 nan 8.150 nan 0.000 0.426 615 L N -0.485 120.766 121.223 0.046 0.000 2.591 615 L HA 0.341 4.691 4.340 0.016 0.000 0.228 615 L C 1.944 178.876 176.870 0.104 0.000 1.133 615 L CA 0.509 55.404 54.840 0.092 0.000 0.880 615 L CB -0.793 41.317 42.059 0.085 0.000 1.033 615 L HN 1.423 nan 8.230 nan 0.000 0.450 616 G N 1.374 110.212 108.800 0.063 0.000 2.574 616 G HA2 -0.386 3.583 3.960 0.016 0.000 0.286 616 G HA3 -0.386 3.583 3.960 0.016 0.000 0.286 616 G C 0.559 175.515 174.900 0.093 0.000 1.212 616 G CA 0.403 45.551 45.100 0.080 0.000 0.979 616 G HN 0.444 nan 8.290 nan 0.000 0.557 617 S N -0.365 115.405 115.700 0.117 0.000 2.574 617 S HA 0.487 4.967 4.470 0.016 0.000 0.242 617 S C 0.934 175.567 174.600 0.054 0.000 0.982 617 S CA 0.386 58.644 58.200 0.096 0.000 0.977 617 S CB 0.427 63.705 63.200 0.129 0.000 0.814 617 S HN 0.715 nan 8.310 nan 0.000 0.464 618 R N 0.349 120.905 120.500 0.093 0.000 2.659 618 R HA 0.290 4.640 4.340 0.016 0.000 0.418 618 R C 1.528 177.940 176.300 0.188 0.000 1.076 618 R CA 0.084 56.247 56.100 0.104 0.000 1.093 618 R CB 0.221 30.588 30.300 0.112 0.000 1.400 618 R HN 0.416 nan 8.270 nan 0.000 0.583 619 G N 1.106 109.993 108.800 0.145 0.000 2.448 619 G HA2 -0.185 3.784 3.960 0.016 0.000 0.219 619 G HA3 -0.185 3.784 3.960 0.016 0.000 0.219 619 G C 1.329 176.325 174.900 0.160 0.000 1.127 619 G CA 0.333 45.518 45.100 0.142 0.000 0.766 619 G HN 0.172 nan 8.290 nan 0.000 0.552 620 L N -0.270 121.053 121.223 0.168 0.000 2.275 620 L HA -0.043 4.307 4.340 0.016 0.000 0.215 620 L C 2.820 179.875 176.870 0.308 0.000 1.119 620 L CA 0.478 55.458 54.840 0.234 0.000 0.790 620 L CB -0.386 41.792 42.059 0.199 0.000 0.919 620 L HN 0.401 nan 8.230 nan 0.000 0.443 621 C N -0.762 118.679 119.300 0.236 0.000 2.507 621 C HA -0.010 4.460 4.460 0.016 0.000 0.280 621 C C 3.148 178.209 174.990 0.118 0.000 1.345 621 C CA 0.844 59.996 59.018 0.224 0.000 1.736 621 C CB -0.331 27.546 27.740 0.229 0.000 2.060 621 C HN 0.642 nan 8.230 nan 0.000 0.498 622 S N 0.620 116.405 115.700 0.141 0.000 2.470 622 S HA 0.245 4.725 4.470 0.016 0.000 0.222 622 S C 1.992 176.679 174.600 0.145 0.000 1.024 622 S CA 0.979 59.238 58.200 0.099 0.000 0.931 622 S CB -0.420 62.908 63.200 0.214 0.000 0.791 622 S HN 0.655 nan 8.310 nan 0.000 0.513 623 A N 3.242 126.164 122.820 0.171 0.000 1.902 623 A HA 0.137 4.467 4.320 0.016 0.000 0.217 623 A C 0.049 177.695 177.584 0.104 0.000 1.181 623 A CA 1.470 53.653 52.037 0.243 0.000 0.623 623 A CB -1.818 17.277 19.000 0.157 0.000 0.818 623 A HN 0.511 nan 8.150 nan 0.000 0.443 624 P HA -0.159 nan 4.420 nan 0.000 0.214 624 P C 1.651 178.827 177.300 -0.208 0.000 1.163 624 P CA 0.985 63.864 63.100 -0.369 0.000 0.889 624 P CB -0.069 31.282 31.700 -0.582 0.000 0.790 625 L N -1.070 120.051 121.223 -0.170 0.000 2.156 625 L HA -0.086 4.264 4.340 0.016 0.000 0.208 625 L C 2.103 178.765 176.870 -0.348 0.000 1.095 625 L CA 1.705 56.262 54.840 -0.471 0.000 0.770 625 L CB -1.186 40.582 42.059 -0.485 0.000 0.914 625 L HN -0.015 nan 8.230 nan 0.000 0.439 626 C N -0.626 118.553 119.300 -0.200 0.000 2.425 626 C HA -0.078 4.392 4.460 0.016 0.000 0.277 626 C C 2.986 177.601 174.990 -0.625 0.000 1.280 626 C CA 0.598 59.392 59.018 -0.374 0.000 1.744 626 C CB -1.491 26.053 27.740 -0.327 0.000 1.989 626 C HN 0.698 nan 8.230 nan 0.000 0.491 627 A N 0.502 123.096 122.820 -0.377 0.000 1.940 627 A HA -0.177 4.153 4.320 0.016 0.000 0.219 627 A C 2.110 179.515 177.584 -0.298 0.000 1.176 627 A CA 1.651 53.531 52.037 -0.261 0.000 0.631 627 A CB -0.393 18.584 19.000 -0.038 0.000 0.814 627 A HN 0.586 nan 8.150 nan 0.000 0.446 628 E N -0.065 119.938 120.200 -0.328 0.000 2.047 628 E HA -0.134 4.226 4.350 0.016 0.000 0.191 628 E C 2.018 178.442 176.600 -0.293 0.000 0.987 628 E CA 1.059 57.272 56.400 -0.313 0.000 0.799 628 E CB -0.442 28.982 29.700 -0.461 0.000 0.752 628 E HN 0.720 nan 8.360 nan 0.000 0.449 629 I N 0.722 121.094 120.570 -0.330 0.000 2.127 629 I HA -0.290 3.889 4.170 0.016 0.000 0.241 629 I C 2.504 178.464 176.117 -0.262 0.000 1.075 629 I CA 0.778 61.914 61.300 -0.273 0.000 1.334 629 I CB -0.234 37.604 38.000 -0.269 0.000 1.040 629 I HN 0.091 nan 8.210 nan 0.000 0.405 630 L N 0.953 121.967 121.223 -0.348 0.000 2.017 630 L HA -0.129 4.220 4.340 0.016 0.000 0.208 630 L C 2.470 179.128 176.870 -0.354 0.000 1.073 630 L CA 2.200 56.833 54.840 -0.346 0.000 0.745 630 L CB -0.858 40.930 42.059 -0.452 0.000 0.894 630 L HN 0.202 nan 8.230 nan 0.000 0.432 631 A N -0.952 121.669 122.820 -0.332 0.000 1.968 631 A HA 0.035 4.364 4.320 0.016 0.000 0.217 631 A C 2.393 179.859 177.584 -0.197 0.000 1.169 631 A CA 1.410 53.254 52.037 -0.321 0.000 0.638 631 A CB -0.900 17.941 19.000 -0.265 0.000 0.812 631 A HN 0.536 nan 8.150 nan 0.000 0.446 632 A N -0.587 122.141 122.820 -0.153 0.000 1.873 632 A HA -0.194 4.136 4.320 0.016 0.000 0.215 632 A C 2.202 179.746 177.584 -0.067 0.000 1.186 632 A CA 1.698 53.687 52.037 -0.079 0.000 0.616 632 A CB -0.641 18.311 19.000 -0.079 0.000 0.823 632 A HN 0.621 nan 8.150 nan 0.000 0.442 633 Q N -0.814 118.925 119.800 -0.102 0.000 2.096 633 Q HA -0.190 4.160 4.340 0.016 0.000 0.204 633 Q C 2.065 178.042 176.000 -0.038 0.000 0.982 633 Q CA 1.944 57.719 55.803 -0.047 0.000 0.850 633 Q CB -0.218 28.503 28.738 -0.028 0.000 0.901 633 Q HN 0.687 nan 8.270 nan 0.000 0.422 634 M N -0.417 119.048 119.600 -0.225 0.000 2.279 634 M HA -0.109 4.380 4.480 0.016 0.000 0.264 634 M C 1.369 177.748 176.300 0.132 0.000 1.062 634 M CA 1.145 56.265 55.300 -0.299 0.000 1.099 634 M CB 0.331 32.510 32.600 -0.702 0.000 1.394 634 M HN 0.051 nan 8.290 nan 0.000 0.426 635 S N -0.989 114.796 115.700 0.141 0.000 2.539 635 S HA 0.046 4.525 4.470 0.016 0.000 0.221 635 S C -0.074 174.612 174.600 0.144 0.000 0.987 635 S CA -0.268 58.076 58.200 0.241 0.000 0.929 635 S CB 0.237 63.596 63.200 0.265 0.000 0.832 635 S HN 0.374 nan 8.310 nan 0.000 0.492 636 D N 2.122 122.582 120.400 0.100 0.000 2.723 636 D HA -0.128 4.522 4.640 0.016 0.000 0.236 636 D C -0.128 176.194 176.300 0.038 0.000 1.138 636 D CA 1.035 55.076 54.000 0.067 0.000 0.676 636 D CB -0.904 39.944 40.800 0.081 0.000 1.069 636 D HN 0.564 nan 8.370 nan 0.000 0.430 637 E N -0.434 119.777 120.200 0.019 0.000 2.249 637 E HA 0.447 4.806 4.350 0.016 0.000 0.263 637 E C -2.494 174.049 176.600 -0.095 0.000 0.950 637 E CA -2.060 54.320 56.400 -0.033 0.000 0.827 637 E CB 1.275 30.992 29.700 0.028 0.000 1.220 637 E HN -0.161 nan 8.360 nan 0.000 0.411 638 P HA -0.018 nan 4.420 nan 0.000 0.258 638 P C -0.771 176.483 177.300 -0.077 0.000 1.187 638 P CA 0.705 63.679 63.100 -0.211 0.000 0.767 638 P CB 0.088 31.480 31.700 -0.512 0.000 0.770 639 I N 7.235 127.779 120.570 -0.043 0.000 2.416 639 I HA 0.140 4.320 4.170 0.016 0.000 0.288 639 I C -1.444 174.667 176.117 -0.010 0.000 1.051 639 I CA -1.942 59.332 61.300 -0.044 0.000 1.375 639 I CB 0.964 38.936 38.000 -0.047 0.000 1.407 639 I HN 0.211 nan 8.210 nan 0.000 0.516 640 P HA 0.238 nan 4.420 nan 0.000 0.220 640 P C -0.646 176.470 177.300 -0.307 0.000 1.806 640 P CA -0.075 62.893 63.100 -0.219 0.000 0.976 640 P CB 0.197 31.680 31.700 -0.362 0.000 1.952 641 M N 1.564 121.098 119.600 -0.109 0.000 2.562 641 M HA 0.230 4.720 4.480 0.016 0.000 0.281 641 M C -1.584 174.831 176.300 0.193 0.000 1.195 641 M CA -0.684 54.557 55.300 -0.099 0.000 0.888 641 M CB 1.943 34.485 32.600 -0.097 0.000 1.731 641 M HN -0.073 nan 8.290 nan 0.000 0.493 642 D N 1.568 122.088 120.400 0.201 0.000 2.360 642 D HA 0.527 5.177 4.640 0.016 0.000 0.242 642 D C 0.808 177.156 176.300 0.080 0.000 1.184 642 D CA 0.068 54.221 54.000 0.255 0.000 0.930 642 D CB 0.823 41.759 40.800 0.226 0.000 1.161 642 D HN 0.705 nan 8.370 nan 0.000 0.447 643 A N 0.846 123.689 122.820 0.038 0.000 1.972 643 A HA -0.156 4.174 4.320 0.016 0.000 0.219 643 A C 2.122 179.660 177.584 -0.076 0.000 1.169 643 A CA 1.892 53.914 52.037 -0.025 0.000 0.635 643 A CB -1.086 17.896 19.000 -0.029 0.000 0.810 643 A HN 0.630 nan 8.150 nan 0.000 0.446 644 S N -1.626 114.045 115.700 -0.049 0.000 2.439 644 S HA -0.072 4.408 4.470 0.016 0.000 0.224 644 S C 1.783 176.317 174.600 -0.110 0.000 1.029 644 S CA 1.396 59.544 58.200 -0.086 0.000 0.946 644 S CB -0.842 62.344 63.200 -0.024 0.000 0.797 644 S HN 0.426 nan 8.310 nan 0.000 0.504 645 T N 3.292 117.811 114.554 -0.059 0.000 2.777 645 T HA 0.137 4.496 4.350 0.016 0.000 0.266 645 T C 1.706 176.324 174.700 -0.136 0.000 1.040 645 T CA 1.281 63.343 62.100 -0.063 0.000 1.141 645 T CB -0.554 68.314 68.868 0.000 0.000 0.868 645 T HN 0.269 nan 8.240 nan 0.000 0.444 646 L N 0.878 122.022 121.223 -0.132 0.000 2.042 646 L HA -0.149 4.201 4.340 0.016 0.000 0.210 646 L C 3.025 179.740 176.870 -0.258 0.000 1.076 646 L CA 1.372 56.111 54.840 -0.169 0.000 0.749 646 L CB -0.642 41.346 42.059 -0.117 0.000 0.893 646 L HN 0.259 nan 8.230 nan 0.000 0.432 647 A N -0.285 122.306 122.820 -0.382 0.000 1.972 647 A HA -0.115 4.215 4.320 0.016 0.000 0.219 647 A C 2.419 179.682 177.584 -0.534 0.000 1.169 647 A CA 1.521 53.094 52.037 -0.772 0.000 0.635 647 A CB -0.605 17.649 19.000 -1.243 0.000 0.810 647 A HN 0.413 nan 8.150 nan 0.000 0.446 648 A N -1.047 121.578 122.820 -0.324 0.000 2.168 648 A HA 0.241 4.571 4.320 0.016 0.000 0.215 648 A C 1.813 179.268 177.584 -0.216 0.000 1.152 648 A CA 1.025 52.937 52.037 -0.208 0.000 0.716 648 A CB -0.309 18.608 19.000 -0.139 0.000 0.794 648 A HN 0.459 nan 8.150 nan 0.000 0.465 649 L N -1.220 119.848 121.223 -0.258 0.000 2.664 649 L HA 0.158 4.508 4.340 0.016 0.000 0.233 649 L C 0.387 177.145 176.870 -0.187 0.000 1.113 649 L CA -0.411 54.264 54.840 -0.275 0.000 0.896 649 L CB -0.072 41.771 42.059 -0.359 0.000 1.163 649 L HN 0.204 nan 8.230 nan 0.000 0.497 650 N N 0.799 119.410 118.700 -0.150 0.000 2.454 650 N HA 0.014 4.763 4.740 0.016 0.000 0.254 650 N C -1.799 173.682 175.510 -0.049 0.000 1.228 650 N CA -1.022 51.997 53.050 -0.051 0.000 0.900 650 N CB 1.102 39.623 38.487 0.057 0.000 1.089 650 N HN -0.178 nan 8.380 nan 0.000 0.449 651 P HA -0.035 nan 4.420 nan 0.000 0.225 651 P C 0.005 177.151 177.300 -0.257 0.000 1.156 651 P CA 0.989 64.019 63.100 -0.117 0.000 0.787 651 P CB -0.037 31.634 31.700 -0.049 0.000 0.802 652 N N -0.190 118.444 118.700 -0.111 0.000 2.322 652 N HA -0.004 4.745 4.740 0.016 0.000 0.194 652 N C 1.598 177.063 175.510 -0.075 0.000 1.126 652 N CA -0.306 52.641 53.050 -0.173 0.000 0.845 652 N CB -0.219 38.378 38.487 0.182 0.000 0.976 652 N HN 0.137 nan 8.380 nan 0.000 0.475 653 R N 0.843 121.333 120.500 -0.016 0.000 2.091 653 R HA -0.113 4.237 4.340 0.016 0.000 0.238 653 R C 1.789 178.134 176.300 0.074 0.000 1.136 653 R CA 0.941 57.131 56.100 0.151 0.000 0.959 653 R CB -0.778 29.576 30.300 0.090 0.000 0.856 653 R HN 0.163 nan 8.270 nan 0.000 0.437 654 L N 0.029 121.198 121.223 -0.089 0.000 2.012 654 L HA -0.161 4.189 4.340 0.016 0.000 0.210 654 L C 2.651 179.621 176.870 0.167 0.000 1.073 654 L CA 1.578 56.420 54.840 0.002 0.000 0.748 654 L CB -0.426 41.611 42.059 -0.037 0.000 0.891 654 L HN 0.283 nan 8.230 nan 0.000 0.431 655 W N -1.276 120.106 121.300 0.136 0.000 2.355 655 W HA -0.100 4.564 4.660 0.007 0.000 0.309 655 W C 2.444 178.998 176.519 0.060 0.000 1.206 655 W CA 0.578 57.993 57.345 0.117 0.000 1.284 655 W CB -1.366 28.188 29.460 0.157 0.000 1.145 655 W HN -0.045 nan 8.180 nan 0.000 0.502 656 V N 0.713 120.788 119.914 0.268 0.000 2.548 656 V HA -0.228 3.902 4.120 0.016 0.000 0.249 656 V C 2.510 178.568 176.094 -0.061 0.000 1.055 656 V CA 1.599 63.933 62.300 0.057 0.000 1.065 656 V CB -0.593 31.219 31.823 -0.018 0.000 0.681 656 V HN -0.079 nan 8.190 nan 0.000 0.462 657 R N 0.568 121.103 120.500 0.059 0.000 2.081 657 R HA -0.086 4.263 4.340 0.016 0.000 0.235 657 R C 2.245 178.548 176.300 0.005 0.000 1.131 657 R CA 1.456 57.582 56.100 0.043 0.000 0.960 657 R CB -0.506 29.854 30.300 0.100 0.000 0.856 657 R HN 0.478 nan 8.270 nan 0.000 0.436 658 K N -0.106 120.325 120.400 0.050 0.000 2.025 658 K HA -0.014 4.315 4.320 0.016 0.000 0.207 658 K C 2.072 178.664 176.600 -0.013 0.000 1.049 658 K CA 1.154 57.464 56.287 0.039 0.000 0.933 658 K CB -0.220 32.334 32.500 0.091 0.000 0.714 658 K HN 0.100 nan 8.250 nan 0.000 0.438 659 L N 1.156 122.368 121.223 -0.018 0.000 2.042 659 L HA -0.215 4.135 4.340 0.016 0.000 0.210 659 L C 2.395 179.156 176.870 -0.182 0.000 1.076 659 L CA 1.079 55.875 54.840 -0.073 0.000 0.749 659 L CB -0.555 41.487 42.059 -0.027 0.000 0.893 659 L HN 0.203 nan 8.230 nan 0.000 0.432 660 L N 0.592 121.647 121.223 -0.280 0.000 1.989 660 L HA -0.250 4.100 4.340 0.016 0.000 0.211 660 L C 2.906 179.651 176.870 -0.208 0.000 1.071 660 L CA 2.029 56.651 54.840 -0.364 0.000 0.749 660 L CB -0.743 41.058 42.059 -0.430 0.000 0.890 660 L HN 0.267 nan 8.230 nan 0.000 0.431 661 K N 0.038 120.362 120.400 -0.126 0.000 2.569 661 K HA 0.256 4.585 4.320 0.016 0.000 0.193 661 K C 1.442 178.005 176.600 -0.062 0.000 1.026 661 K CA 0.792 57.034 56.287 -0.075 0.000 1.093 661 K CB -0.781 31.696 32.500 -0.038 0.000 0.849 661 K HN 0.612 nan 8.250 nan 0.000 0.509 662 G N -1.825 106.929 108.800 -0.078 0.000 2.304 662 G HA2 -0.161 3.809 3.960 0.016 0.000 0.252 662 G HA3 -0.161 3.809 3.960 0.016 0.000 0.252 662 G C 0.936 175.814 174.900 -0.035 0.000 1.014 662 G CA 1.357 46.422 45.100 -0.058 0.000 0.619 662 G HN 1.218 nan 8.290 nan 0.000 0.525 663 K N 0.000 120.387 120.400 -0.022 0.000 2.780 663 K HA 0.000 4.330 4.320 0.016 0.000 0.191 663 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 663 K CB 0.000 32.505 32.500 0.009 0.000 1.064 663 K HN 0.000 nan 8.250 nan 0.000 0.543