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 1cq7_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.241 176.300 -0.099 0.000 1.140 5 M CA 0.000 55.104 55.300 -0.327 0.000 0.988 5 M CB 0.000 32.240 32.600 -0.600 0.000 1.302 6 F N 1.654 121.604 119.950 0.000 0.000 2.727 6 F HA 0.291 4.833 4.527 0.024 0.000 0.302 6 F C 1.709 177.509 175.800 0.000 0.000 1.097 6 F CA 0.179 58.180 58.000 0.000 0.000 1.330 6 F CB -0.784 38.217 39.000 0.001 0.000 1.084 6 F HN 0.168 nan 8.300 nan 0.000 0.578 7 E N 0.591 120.863 120.200 0.121 0.000 2.267 7 E HA -0.191 4.173 4.350 0.024 0.000 0.197 7 E C 0.983 177.621 176.600 0.064 0.000 0.998 7 E CA 1.411 57.855 56.400 0.073 0.000 0.830 7 E CB -0.524 29.193 29.700 0.028 0.000 0.751 7 E HN 0.513 nan 8.360 nan 0.000 0.491 8 N N -0.161 118.580 118.700 0.069 0.000 2.205 8 N HA 0.176 4.930 4.740 0.024 0.000 0.201 8 N C -0.402 175.140 175.510 0.054 0.000 1.128 8 N CA -0.258 52.822 53.050 0.050 0.000 0.867 8 N CB 0.578 39.088 38.487 0.038 0.000 0.996 8 N HN 0.040 nan 8.380 nan 0.000 0.503 9 I N 1.388 122.005 120.570 0.077 0.000 2.662 9 I HA -0.068 4.116 4.170 0.024 0.000 0.285 9 I C 0.796 176.929 176.117 0.027 0.000 1.161 9 I CA 0.469 61.801 61.300 0.053 0.000 1.415 9 I CB 0.521 38.551 38.000 0.049 0.000 1.385 9 I HN 0.005 nan 8.210 nan 0.000 0.552 10 T N 5.934 120.497 114.554 0.015 0.000 2.889 10 T HA 0.466 4.831 4.350 0.024 0.000 0.291 10 T C 0.233 174.931 174.700 -0.003 0.000 0.995 10 T CA -0.699 61.405 62.100 0.007 0.000 1.092 10 T CB 0.638 69.508 68.868 0.005 0.000 0.954 10 T HN 0.682 nan 8.240 nan 0.000 0.506 11 A N 3.648 126.466 122.820 -0.004 0.000 2.524 11 A HA 0.569 4.903 4.320 0.024 0.000 0.250 11 A C 0.808 178.384 177.584 -0.012 0.000 1.078 11 A CA -0.156 51.875 52.037 -0.010 0.000 0.761 11 A CB -0.444 18.553 19.000 -0.006 0.000 1.012 11 A HN 1.163 nan 8.150 nan 0.000 0.500 12 A N 4.645 127.454 122.820 -0.018 0.000 2.407 12 A HA 0.588 4.922 4.320 0.024 0.000 0.248 12 A C -1.359 176.215 177.584 -0.016 0.000 1.082 12 A CA -1.009 51.016 52.037 -0.020 0.000 0.785 12 A CB -0.430 18.554 19.000 -0.027 0.000 1.020 12 A HN 0.819 nan 8.150 nan 0.000 0.489 13 P HA 0.435 nan 4.420 nan 0.000 0.275 13 P C -0.261 177.030 177.300 -0.015 0.000 1.228 13 P CA -0.110 62.982 63.100 -0.014 0.000 0.786 13 P CB 1.015 32.705 31.700 -0.016 0.000 0.927 14 A N 1.933 124.750 122.820 -0.006 0.000 2.407 14 A HA 0.122 4.456 4.320 0.024 0.000 0.248 14 A C 0.245 177.824 177.584 -0.008 0.000 1.082 14 A CA -0.293 51.743 52.037 -0.002 0.000 0.785 14 A CB -0.387 18.620 19.000 0.012 0.000 1.020 14 A HN 0.652 nan 8.150 nan 0.000 0.489 15 D N 1.962 122.357 120.400 -0.010 0.000 2.425 15 D HA 0.200 4.854 4.640 0.024 0.000 0.247 15 D C -0.977 175.323 176.300 0.000 0.000 1.147 15 D CA -0.937 53.051 54.000 -0.020 0.000 0.879 15 D CB 0.883 41.673 40.800 -0.016 0.000 1.179 15 D HN 0.261 nan 8.370 nan 0.000 0.456 16 P HA -0.160 nan 4.420 nan 0.000 0.218 16 P C 1.284 178.602 177.300 0.030 0.000 1.148 16 P CA 1.178 64.284 63.100 0.010 0.000 0.822 16 P CB 0.327 32.025 31.700 -0.003 0.000 0.784 17 I N -1.047 119.544 120.570 0.035 0.000 2.364 17 I HA -0.101 4.083 4.170 0.024 0.000 0.241 17 I C 2.671 178.824 176.117 0.060 0.000 1.082 17 I CA 0.784 62.119 61.300 0.059 0.000 1.401 17 I CB -0.488 37.580 38.000 0.113 0.000 1.126 17 I HN -0.193 nan 8.210 nan 0.000 0.429 18 L N 0.476 121.734 121.223 0.058 0.000 2.109 18 L HA -0.030 4.324 4.340 0.024 0.000 0.207 18 L C 2.564 179.462 176.870 0.046 0.000 1.086 18 L CA 1.284 56.154 54.840 0.049 0.000 0.760 18 L CB -0.999 41.089 42.059 0.048 0.000 0.910 18 L HN 0.312 nan 8.230 nan 0.000 0.437 19 G N -0.078 108.749 108.800 0.044 0.000 2.498 19 G HA2 -0.220 3.754 3.960 0.024 0.000 0.219 19 G HA3 -0.220 3.754 3.960 0.024 0.000 0.219 19 G C 1.537 176.488 174.900 0.084 0.000 1.119 19 G CA 0.219 45.350 45.100 0.051 0.000 0.766 19 G HN 0.143 nan 8.290 nan 0.000 0.552 20 L N 0.965 122.246 121.223 0.097 0.000 2.109 20 L HA 0.220 4.574 4.340 0.024 0.000 0.207 20 L C 3.088 180.048 176.870 0.151 0.000 1.086 20 L CA 1.661 56.598 54.840 0.161 0.000 0.760 20 L CB -0.554 41.590 42.059 0.141 0.000 0.910 20 L HN 0.228 nan 8.230 nan 0.000 0.437 21 A N -0.911 121.954 122.820 0.076 0.000 1.933 21 A HA -0.249 4.085 4.320 0.024 0.000 0.218 21 A C 1.927 179.564 177.584 0.089 0.000 1.175 21 A CA 2.002 54.071 52.037 0.052 0.000 0.628 21 A CB -0.817 18.193 19.000 0.017 0.000 0.814 21 A HN 0.488 nan 8.150 nan 0.000 0.444 22 D N 0.098 120.545 120.400 0.079 0.000 2.087 22 D HA -0.146 4.508 4.640 0.024 0.000 0.192 22 D C 1.901 178.251 176.300 0.082 0.000 0.993 22 D CA 1.552 55.592 54.000 0.067 0.000 0.828 22 D CB -0.251 40.582 40.800 0.055 0.000 0.968 22 D HN 0.415 nan 8.370 nan 0.000 0.448 23 L N -0.316 120.988 121.223 0.134 0.000 2.042 23 L HA -0.165 4.189 4.340 0.024 0.000 0.210 23 L C 2.237 179.189 176.870 0.137 0.000 1.076 23 L CA 0.767 55.718 54.840 0.184 0.000 0.749 23 L CB -0.521 41.727 42.059 0.315 0.000 0.893 23 L HN 0.091 nan 8.230 nan 0.000 0.432 24 F N 1.865 121.724 119.950 -0.152 0.000 2.075 24 F HA -0.265 4.276 4.527 0.023 0.000 0.297 24 F C 2.795 178.437 175.800 -0.264 0.000 1.113 24 F CA 1.976 59.648 58.000 -0.547 0.000 1.218 24 F CB -0.162 38.429 39.000 -0.681 0.000 0.984 24 F HN 0.008 nan 8.300 nan 0.000 0.472 25 R N 0.914 121.377 120.500 -0.062 0.000 2.115 25 R HA 0.037 4.391 4.340 0.024 0.000 0.230 25 R C 1.934 178.157 176.300 -0.129 0.000 1.111 25 R CA 1.432 57.471 56.100 -0.103 0.000 0.976 25 R CB -1.593 28.714 30.300 0.012 0.000 0.870 25 R HN 0.209 nan 8.270 nan 0.000 0.445 26 A N 0.827 123.600 122.820 -0.079 0.000 2.016 26 A HA -0.040 4.294 4.320 0.024 0.000 0.217 26 A C 0.560 178.097 177.584 -0.078 0.000 1.162 26 A CA 0.692 52.697 52.037 -0.053 0.000 0.662 26 A CB -0.460 18.535 19.000 -0.007 0.000 0.812 26 A HN 0.405 nan 8.150 nan 0.000 0.450 27 D N 0.640 120.964 120.400 -0.128 0.000 2.390 27 D HA 0.128 4.782 4.640 0.024 0.000 0.249 27 D C 0.489 176.679 176.300 -0.184 0.000 1.144 27 D CA -0.032 53.896 54.000 -0.120 0.000 0.880 27 D CB 0.633 41.374 40.800 -0.098 0.000 1.182 27 D HN 0.340 nan 8.370 nan 0.000 0.451 28 E N 2.873 123.007 120.200 -0.110 0.000 4.213 28 E HA 0.248 4.612 4.350 0.024 0.000 0.562 28 E C 0.091 176.623 176.600 -0.113 0.000 0.538 28 E CA -0.385 55.952 56.400 -0.105 0.000 3.571 28 E CB 0.059 29.722 29.700 -0.061 0.000 2.299 28 E HN 0.488 nan 8.360 nan 0.000 0.416 29 R N 0.344 120.803 120.500 -0.070 0.000 1.430 29 R HA -0.102 4.252 4.340 0.024 0.000 0.404 29 R C -1.982 174.282 176.300 -0.060 0.000 1.314 29 R CA 0.174 56.245 56.100 -0.048 0.000 1.171 29 R CB -0.970 29.315 30.300 -0.025 0.000 3.410 29 R HN 0.429 nan 8.270 nan 0.000 0.488 30 P HA -0.162 nan 4.420 nan 0.000 0.215 30 P C 1.219 178.520 177.300 0.001 0.000 1.157 30 P CA 2.010 65.096 63.100 -0.023 0.000 0.863 30 P CB 0.059 31.754 31.700 -0.008 0.000 0.787 31 G N 0.836 109.651 108.800 0.024 0.000 2.882 31 G HA2 -0.101 3.873 3.960 0.024 0.000 0.206 31 G HA3 -0.101 3.873 3.960 0.024 0.000 0.206 31 G C 0.538 175.497 174.900 0.097 0.000 1.155 31 G CA -0.303 44.832 45.100 0.058 0.000 0.800 31 G HN 0.457 nan 8.290 nan 0.000 0.524 32 K N 0.348 120.794 120.400 0.078 0.000 2.484 32 K HA 0.289 4.623 4.320 0.024 0.000 0.280 32 K C -0.621 176.174 176.600 0.326 0.000 1.013 32 K CA 0.071 56.454 56.287 0.161 0.000 1.029 32 K CB 0.875 33.325 32.500 -0.083 0.000 0.902 32 K HN 0.053 nan 8.250 nan 0.000 0.481 33 I N 2.411 123.229 120.570 0.413 0.000 2.474 33 I HA 0.160 4.344 4.170 0.024 0.000 0.294 33 I C -0.240 176.024 176.117 0.245 0.000 1.005 33 I CA -0.812 60.665 61.300 0.294 0.000 1.113 33 I CB 1.795 39.889 38.000 0.157 0.000 1.289 33 I HN 0.766 nan 8.210 nan 0.000 0.436 34 N N 6.738 125.337 118.700 -0.169 0.000 2.558 34 N HA 0.237 4.991 4.740 0.024 0.000 0.242 34 N C -0.789 174.568 175.510 -0.255 0.000 0.979 34 N CA -0.492 52.245 53.050 -0.523 0.000 0.931 34 N CB 0.987 38.602 38.487 -1.454 0.000 1.122 34 N HN 0.437 nan 8.380 nan 0.000 0.508 35 L N 3.794 124.961 121.223 -0.093 0.000 3.062 35 L HA 0.355 4.710 4.340 0.024 0.000 0.255 35 L C 1.509 178.373 176.870 -0.011 0.000 1.274 35 L CA 0.024 54.828 54.840 -0.061 0.000 1.047 35 L CB -0.037 41.995 42.059 -0.045 0.000 1.402 35 L HN 0.632 nan 8.230 nan 0.000 0.550 36 G N -0.393 108.386 108.800 -0.036 0.000 2.558 36 G HA2 0.061 4.035 3.960 0.024 0.000 0.218 36 G HA3 0.061 4.035 3.960 0.024 0.000 0.218 36 G C 0.664 175.581 174.900 0.029 0.000 1.567 36 G CA -0.274 44.830 45.100 0.006 0.000 0.950 36 G HN 0.180 nan 8.290 nan 0.000 0.517 37 I N 2.054 122.623 120.570 -0.002 0.000 2.872 37 I HA 0.292 4.476 4.170 0.024 0.000 0.291 37 I C 1.149 177.332 176.117 0.111 0.000 1.216 37 I CA 0.006 61.329 61.300 0.038 0.000 1.424 37 I CB 0.838 38.827 38.000 -0.019 0.000 1.351 37 I HN 0.216 nan 8.210 nan 0.000 0.592 38 G N 7.322 116.271 108.800 0.248 0.000 2.916 38 G HA2 0.403 4.377 3.960 0.024 0.000 0.280 38 G HA3 0.403 4.377 3.960 0.024 0.000 0.280 38 G C -0.613 174.312 174.900 0.040 0.000 0.758 38 G CA -0.198 45.069 45.100 0.278 0.000 1.993 38 G HN 0.381 nan 8.290 nan 0.000 0.564 39 V N 2.276 122.135 119.914 -0.091 0.000 2.588 39 V HA 0.288 4.422 4.120 0.024 0.000 0.304 39 V C -0.570 175.486 176.094 -0.063 0.000 1.042 39 V CA -1.270 60.880 62.300 -0.250 0.000 0.877 39 V CB 1.730 33.244 31.823 -0.516 0.000 0.996 39 V HN 0.596 nan 8.190 nan 0.000 0.425 40 Y N 4.907 125.227 120.300 0.034 0.000 2.411 40 Y HA 0.412 4.976 4.550 0.022 0.000 0.333 40 Y C 0.245 176.164 175.900 0.031 0.000 1.186 40 Y CA 0.311 58.445 58.100 0.057 0.000 1.381 40 Y CB 0.551 39.130 38.460 0.198 0.000 1.273 40 Y HN 0.554 nan 8.280 nan 0.000 0.546 41 K N 4.652 124.526 120.400 -0.878 0.000 2.422 41 K HA 0.235 4.569 4.320 0.024 0.000 0.251 41 K C -1.221 174.859 176.600 -0.867 0.000 0.933 41 K CA -1.059 54.869 56.287 -0.598 0.000 0.798 41 K CB 1.393 33.689 32.500 -0.341 0.000 1.238 41 K HN 0.749 nan 8.250 nan 0.000 0.428 42 D N 0.931 121.123 120.400 -0.346 0.000 2.466 42 D HA 0.057 4.711 4.640 0.024 0.000 0.262 42 D C 0.738 176.976 176.300 -0.103 0.000 1.177 42 D CA -0.317 53.602 54.000 -0.135 0.000 1.035 42 D CB 0.556 41.410 40.800 0.090 0.000 1.105 42 D HN 0.332 nan 8.370 nan 0.000 0.551 43 E N -0.679 119.503 120.200 -0.030 0.000 2.208 43 E HA -0.210 4.154 4.350 0.024 0.000 0.202 43 E C 1.494 178.077 176.600 -0.028 0.000 1.014 43 E CA 1.602 57.987 56.400 -0.025 0.000 0.819 43 E CB -0.554 29.147 29.700 0.002 0.000 0.735 43 E HN 0.618 nan 8.360 nan 0.000 0.469 44 T N -1.257 113.285 114.554 -0.020 0.000 3.129 44 T HA 0.219 4.583 4.350 0.024 0.000 0.251 44 T C 0.996 175.681 174.700 -0.025 0.000 1.117 44 T CA 0.941 63.033 62.100 -0.013 0.000 1.034 44 T CB -0.196 68.674 68.868 0.002 0.000 0.968 44 T HN 0.392 nan 8.240 nan 0.000 0.526 45 G N 1.627 110.395 108.800 -0.053 0.000 2.147 45 G HA2 -0.201 3.773 3.960 0.024 0.000 0.244 45 G HA3 -0.201 3.773 3.960 0.024 0.000 0.244 45 G C -0.095 174.774 174.900 -0.052 0.000 1.005 45 G CA 0.164 45.225 45.100 -0.064 0.000 0.713 45 G HN 0.554 nan 8.290 nan 0.000 0.515 46 K N -0.229 120.148 120.400 -0.039 0.000 2.281 46 K HA 0.696 5.030 4.320 0.024 0.000 0.242 46 K C 0.193 176.796 176.600 0.004 0.000 0.971 46 K CA -0.160 56.122 56.287 -0.008 0.000 0.834 46 K CB 1.526 34.038 32.500 0.020 0.000 1.181 46 K HN 0.268 nan 8.250 nan 0.000 0.435 47 T N -0.305 114.273 114.554 0.041 0.000 3.332 47 T HA 0.297 4.661 4.350 0.024 0.000 0.385 47 T C -1.793 173.000 174.700 0.156 0.000 1.695 47 T CA -1.548 60.622 62.100 0.116 0.000 1.397 47 T CB 0.016 68.925 68.868 0.069 0.000 1.100 47 T HN 0.327 nan 8.240 nan 0.000 0.669 48 P HA 0.320 nan 4.420 nan 0.000 0.274 48 P C 0.048 177.443 177.300 0.158 0.000 1.246 48 P CA -0.545 62.636 63.100 0.137 0.000 0.795 48 P CB 1.140 32.911 31.700 0.118 0.000 1.006 49 V N 2.268 122.257 119.914 0.125 0.000 2.498 49 V HA 0.204 4.338 4.120 0.024 0.000 0.279 49 V C 0.272 176.429 176.094 0.104 0.000 1.048 49 V CA -0.766 61.608 62.300 0.123 0.000 0.967 49 V CB -0.201 31.686 31.823 0.107 0.000 0.988 49 V HN 0.348 nan 8.190 nan 0.000 0.473 50 L N 5.500 126.785 121.223 0.104 0.000 2.529 50 L HA 0.047 4.402 4.340 0.024 0.000 0.287 50 L C 1.908 178.822 176.870 0.074 0.000 1.241 50 L CA 0.415 55.304 54.840 0.082 0.000 0.857 50 L CB 0.201 42.315 42.059 0.092 0.000 1.113 50 L HN 0.844 nan 8.230 nan 0.000 0.504 51 T N -0.121 114.466 114.554 0.055 0.000 2.777 51 T HA -0.150 4.214 4.350 0.024 0.000 0.266 51 T C 1.934 176.666 174.700 0.053 0.000 1.040 51 T CA 1.657 63.785 62.100 0.047 0.000 1.141 51 T CB -0.078 68.808 68.868 0.031 0.000 0.868 51 T HN 0.879 nan 8.240 nan 0.000 0.444 52 S N 1.384 117.122 115.700 0.064 0.000 2.400 52 S HA -0.101 4.383 4.470 0.024 0.000 0.232 52 S C 2.136 176.776 174.600 0.067 0.000 1.025 52 S CA 1.011 59.254 58.200 0.072 0.000 0.993 52 S CB -0.930 62.345 63.200 0.125 0.000 0.808 52 S HN 0.319 nan 8.310 nan 0.000 0.478 53 V N 1.935 121.900 119.914 0.084 0.000 2.379 53 V HA -0.062 4.072 4.120 0.024 0.000 0.245 53 V C 2.790 178.921 176.094 0.062 0.000 1.044 53 V CA 1.528 63.874 62.300 0.076 0.000 1.036 53 V CB -0.568 31.317 31.823 0.104 0.000 0.664 53 V HN 0.361 nan 8.190 nan 0.000 0.453 54 K N 0.557 120.996 120.400 0.066 0.000 2.097 54 K HA -0.129 4.205 4.320 0.024 0.000 0.206 54 K C 2.128 178.763 176.600 0.059 0.000 1.049 54 K CA 1.315 57.640 56.287 0.064 0.000 0.933 54 K CB -0.289 32.245 32.500 0.057 0.000 0.717 54 K HN 0.469 nan 8.250 nan 0.000 0.442 55 K N 0.228 120.659 120.400 0.051 0.000 2.057 55 K HA -0.041 4.293 4.320 0.024 0.000 0.206 55 K C 2.194 178.833 176.600 0.064 0.000 1.050 55 K CA 1.147 57.465 56.287 0.052 0.000 0.935 55 K CB -0.118 32.403 32.500 0.035 0.000 0.715 55 K HN 0.063 nan 8.250 nan 0.000 0.439 56 A N 1.833 124.674 122.820 0.035 0.000 1.930 56 A HA -0.188 4.146 4.320 0.024 0.000 0.217 56 A C 1.887 179.511 177.584 0.065 0.000 1.175 56 A CA 1.386 53.436 52.037 0.023 0.000 0.627 56 A CB -0.335 18.637 19.000 -0.047 0.000 0.815 56 A HN 0.289 nan 8.150 nan 0.000 0.443 57 E N -0.816 119.412 120.200 0.047 0.000 2.153 57 E HA -0.232 4.132 4.350 0.024 0.000 0.194 57 E C 2.207 178.862 176.600 0.091 0.000 0.988 57 E CA 1.209 57.651 56.400 0.071 0.000 0.811 57 E CB -0.116 29.656 29.700 0.120 0.000 0.746 57 E HN 0.799 nan 8.360 nan 0.000 0.466 58 Q N -0.050 119.804 119.800 0.090 0.000 2.083 58 Q HA -0.193 4.161 4.340 0.024 0.000 0.198 58 Q C 1.968 178.013 176.000 0.074 0.000 0.969 58 Q CA 1.057 56.904 55.803 0.072 0.000 0.838 58 Q CB -0.118 28.660 28.738 0.067 0.000 0.900 58 Q HN 0.341 nan 8.270 nan 0.000 0.436 59 Y N 0.915 121.210 120.300 -0.009 0.000 2.151 59 Y HA -0.278 4.283 4.550 0.019 0.000 0.284 59 Y C 1.749 177.636 175.900 -0.021 0.000 1.166 59 Y CA 1.816 59.906 58.100 -0.017 0.000 1.163 59 Y CB -0.094 38.350 38.460 -0.026 0.000 0.974 59 Y HN 0.111 nan 8.280 nan 0.000 0.511 60 L N -0.579 120.682 121.223 0.064 0.000 2.093 60 L HA -0.219 4.135 4.340 0.024 0.000 0.208 60 L C 2.545 179.384 176.870 -0.052 0.000 1.085 60 L CA 0.986 55.816 54.840 -0.016 0.000 0.755 60 L CB -0.649 41.419 42.059 0.015 0.000 0.904 60 L HN 0.331 nan 8.230 nan 0.000 0.435 61 L N 0.408 121.622 121.223 -0.014 0.000 2.042 61 L HA -0.233 4.121 4.340 0.024 0.000 0.210 61 L C 2.742 179.576 176.870 -0.060 0.000 1.076 61 L CA 1.888 56.718 54.840 -0.015 0.000 0.749 61 L CB -0.203 41.860 42.059 0.007 0.000 0.893 61 L HN 0.483 nan 8.230 nan 0.000 0.432 62 E N -1.656 118.482 120.200 -0.103 0.000 2.250 62 E HA -0.138 4.226 4.350 0.024 0.000 0.192 62 E C 1.147 177.639 176.600 -0.180 0.000 0.986 62 E CA 0.985 57.310 56.400 -0.125 0.000 0.849 62 E CB -0.177 29.454 29.700 -0.115 0.000 0.797 62 E HN 0.550 nan 8.360 nan 0.000 0.482 63 N N 0.505 119.038 118.700 -0.278 0.000 2.282 63 N HA 0.049 4.803 4.740 0.024 0.000 0.185 63 N C 0.239 175.644 175.510 -0.175 0.000 1.099 63 N CA -0.111 52.759 53.050 -0.301 0.000 0.878 63 N CB 0.657 38.778 38.487 -0.610 0.000 0.993 63 N HN 0.174 nan 8.380 nan 0.000 0.481 67 T N 0.525 115.059 114.554 -0.033 0.000 2.802 67 T HA 0.487 4.851 4.350 0.024 0.000 0.311 67 T C -1.430 173.243 174.700 -0.044 0.000 1.405 67 T CA -0.561 61.517 62.100 -0.037 0.000 1.016 67 T CB 1.550 70.399 68.868 -0.031 0.000 1.352 67 T HN -0.193 nan 8.240 nan 0.000 0.498 68 K N 2.013 122.375 120.400 -0.064 0.000 2.537 68 K HA 0.223 4.557 4.320 0.024 0.000 0.206 68 K C 0.607 177.128 176.600 -0.132 0.000 1.041 68 K CA -0.351 55.886 56.287 -0.083 0.000 1.090 68 K CB -0.097 32.347 32.500 -0.092 0.000 0.833 68 K HN 0.587 nan 8.250 nan 0.000 0.493 69 N N 0.998 119.637 118.700 -0.101 0.000 2.395 69 N HA -0.084 4.670 4.740 0.024 0.000 0.246 69 N C -0.462 175.009 175.510 -0.066 0.000 1.246 69 N CA 0.132 53.118 53.050 -0.108 0.000 0.879 69 N CB 0.372 38.845 38.487 -0.024 0.000 1.098 69 N HN -0.078 nan 8.380 nan 0.000 0.444 70 Y N 1.795 122.098 120.300 0.005 0.000 2.993 70 Y HA -0.167 4.399 4.550 0.027 0.000 0.340 70 Y C 1.227 177.132 175.900 0.008 0.000 1.273 70 Y CA 0.285 58.390 58.100 0.008 0.000 1.545 70 Y CB 0.313 38.779 38.460 0.010 0.000 1.275 70 Y HN 0.519 nan 8.280 nan 0.000 0.617 71 L N 2.109 123.454 121.223 0.204 0.000 2.567 71 L HA 0.288 4.642 4.340 0.024 0.000 0.225 71 L C 0.860 177.786 176.870 0.093 0.000 1.119 71 L CA 1.150 56.055 54.840 0.109 0.000 0.871 71 L CB -0.711 41.389 42.059 0.070 0.000 1.036 71 L HN 0.913 nan 8.230 nan 0.000 0.459 72 G N -0.937 107.919 108.800 0.094 0.000 2.879 72 G HA2 -0.190 3.784 3.960 0.024 0.000 0.686 72 G HA3 -0.190 3.784 3.960 0.024 0.000 0.686 72 G C 0.745 175.676 174.900 0.051 0.000 1.115 72 G CA -0.369 44.765 45.100 0.057 0.000 0.770 72 G HN -0.081 nan 8.290 nan 0.000 0.601 73 I N 1.634 122.211 120.570 0.012 0.000 2.121 73 I HA -0.255 3.929 4.170 0.024 0.000 0.243 73 I C 2.459 178.600 176.117 0.041 0.000 1.047 73 I CA 2.790 64.080 61.300 -0.016 0.000 1.308 73 I CB -0.958 36.992 38.000 -0.083 0.000 1.015 73 I HN 0.833 nan 8.210 nan 0.000 0.410 74 D N 0.029 120.485 120.400 0.094 0.000 2.349 74 D HA 0.206 4.860 4.640 0.024 0.000 0.224 74 D C 1.278 177.684 176.300 0.177 0.000 1.029 74 D CA 0.891 55.007 54.000 0.193 0.000 0.879 74 D CB -0.140 40.876 40.800 0.361 0.000 0.906 74 D HN 0.479 nan 8.370 nan 0.000 0.528 75 G N 0.681 109.552 108.800 0.117 0.000 2.527 75 G HA2 -0.221 3.753 3.960 0.024 0.000 0.227 75 G HA3 -0.221 3.753 3.960 0.024 0.000 0.227 75 G C -0.496 174.444 174.900 0.068 0.000 1.291 75 G CA -0.329 44.812 45.100 0.068 0.000 0.904 75 G HN 0.296 nan 8.290 nan 0.000 0.577 76 I N 2.587 123.176 120.570 0.032 0.000 2.471 76 I HA 0.213 4.397 4.170 0.024 0.000 0.286 76 I C -1.075 175.124 176.117 0.136 0.000 1.079 76 I CA -1.573 59.763 61.300 0.059 0.000 1.398 76 I CB 1.643 39.649 38.000 0.010 0.000 1.403 76 I HN 0.288 nan 8.210 nan 0.000 0.530 77 P HA -0.177 nan 4.420 nan 0.000 0.215 77 P C 1.011 178.350 177.300 0.064 0.000 1.157 77 P CA 1.344 64.491 63.100 0.078 0.000 0.868 77 P CB 0.138 31.868 31.700 0.050 0.000 0.788 78 E N -1.173 119.058 120.200 0.052 0.000 2.118 78 E HA -0.229 4.135 4.350 0.024 0.000 0.195 78 E C 1.912 178.520 176.600 0.014 0.000 0.992 78 E CA 0.885 57.296 56.400 0.017 0.000 0.804 78 E CB -1.119 28.582 29.700 0.003 0.000 0.741 78 E HN 0.210 nan 8.360 nan 0.000 0.458 79 F N 2.184 122.082 119.950 -0.087 0.000 2.069 79 F HA -0.127 4.414 4.527 0.024 0.000 0.298 79 F C 2.345 178.107 175.800 -0.063 0.000 1.113 79 F CA 2.109 60.040 58.000 -0.115 0.000 1.214 79 F CB -0.778 38.156 39.000 -0.109 0.000 0.978 79 F HN 0.014 nan 8.300 nan 0.000 0.474 80 G N 0.178 108.995 108.800 0.029 0.000 2.440 80 G HA2 -0.319 3.655 3.960 0.024 0.000 0.218 80 G HA3 -0.319 3.655 3.960 0.024 0.000 0.218 80 G C 1.860 176.689 174.900 -0.120 0.000 1.154 80 G CA 0.828 45.892 45.100 -0.060 0.000 0.767 80 G HN 0.404 nan 8.290 nan 0.000 0.552 81 R N -0.334 120.120 120.500 -0.078 0.000 2.081 81 R HA -0.095 4.259 4.340 0.024 0.000 0.235 81 R C 2.540 178.778 176.300 -0.103 0.000 1.131 81 R CA 1.737 57.796 56.100 -0.068 0.000 0.960 81 R CB -0.700 29.574 30.300 -0.043 0.000 0.856 81 R HN 0.380 nan 8.270 nan 0.000 0.436 82 C N -0.084 119.120 119.300 -0.159 0.000 2.429 82 C HA -0.078 4.396 4.460 0.024 0.000 0.277 82 C C 3.047 177.913 174.990 -0.207 0.000 1.262 82 C CA 1.496 60.403 59.018 -0.185 0.000 1.733 82 C CB -0.929 26.667 27.740 -0.240 0.000 2.010 82 C HN 0.728 nan 8.230 nan 0.000 0.483 83 T N -0.517 113.858 114.554 -0.299 0.000 2.821 83 T HA -0.192 4.173 4.350 0.024 0.000 0.267 83 T C 1.706 176.262 174.700 -0.241 0.000 1.046 83 T CA 1.578 63.525 62.100 -0.255 0.000 1.139 83 T CB -0.376 68.294 68.868 -0.331 0.000 0.871 83 T HN 0.676 nan 8.240 nan 0.000 0.454 84 Q N 0.417 120.111 119.800 -0.176 0.000 2.124 84 Q HA -0.105 4.249 4.340 0.024 0.000 0.202 84 Q C 2.445 178.401 176.000 -0.073 0.000 0.977 84 Q CA 1.765 57.508 55.803 -0.101 0.000 0.850 84 Q CB -0.125 28.658 28.738 0.076 0.000 0.901 84 Q HN 0.729 nan 8.270 nan 0.000 0.429 85 E N 0.498 120.664 120.200 -0.056 0.000 2.152 85 E HA -0.115 4.249 4.350 0.024 0.000 0.192 85 E C 2.061 178.622 176.600 -0.065 0.000 0.983 85 E CA 0.487 56.871 56.400 -0.026 0.000 0.818 85 E CB 0.024 29.709 29.700 -0.025 0.000 0.758 85 E HN 0.319 nan 8.360 nan 0.000 0.467 86 L N 0.436 121.591 121.223 -0.113 0.000 2.056 86 L HA -0.194 4.160 4.340 0.024 0.000 0.207 86 L C 2.202 178.955 176.870 -0.195 0.000 1.078 86 L CA 0.608 55.379 54.840 -0.115 0.000 0.749 86 L CB -0.088 41.911 42.059 -0.099 0.000 0.901 86 L HN 0.185 nan 8.230 nan 0.000 0.433 87 L N -1.431 119.585 121.223 -0.345 0.000 2.044 87 L HA -0.128 4.226 4.340 0.024 0.000 0.205 87 L C 1.993 178.576 176.870 -0.479 0.000 1.075 87 L CA 1.897 56.416 54.840 -0.535 0.000 0.747 87 L CB -0.864 40.611 42.059 -0.973 0.000 0.903 87 L HN 0.113 nan 8.230 nan 0.000 0.435 88 F N -0.847 119.076 119.950 -0.046 0.000 2.731 88 F HA 0.542 5.084 4.527 0.025 0.000 0.298 88 F C 1.330 177.110 175.800 -0.034 0.000 1.106 88 F CA -0.030 57.944 58.000 -0.044 0.000 1.329 88 F CB -0.587 38.387 39.000 -0.045 0.000 1.100 88 F HN 0.092 nan 8.300 nan 0.000 0.592 89 G N 1.116 109.974 108.800 0.097 0.000 2.675 89 G HA2 -0.202 3.772 3.960 0.024 0.000 0.686 89 G HA3 -0.202 3.772 3.960 0.024 0.000 0.686 89 G C 0.650 175.585 174.900 0.058 0.000 1.215 89 G CA -0.266 44.870 45.100 0.060 0.000 0.777 89 G HN 0.382 nan 8.290 nan 0.000 0.638 90 K N -0.037 120.381 120.400 0.030 0.000 2.025 90 K HA 0.097 4.431 4.320 0.024 0.000 0.207 90 K C 2.462 179.075 176.600 0.021 0.000 1.049 90 K CA 2.007 58.307 56.287 0.021 0.000 0.933 90 K CB -0.394 32.112 32.500 0.009 0.000 0.714 90 K HN 1.102 nan 8.250 nan 0.000 0.438 91 G N 1.314 110.126 108.800 0.019 0.000 2.408 91 G HA2 -0.203 3.771 3.960 0.024 0.000 0.217 91 G HA3 -0.203 3.771 3.960 0.024 0.000 0.217 91 G C 0.412 175.318 174.900 0.011 0.000 1.150 91 G CA 0.411 45.518 45.100 0.012 0.000 0.776 91 G HN 0.449 nan 8.290 nan 0.000 0.542 92 S N 0.094 115.808 115.700 0.023 0.000 3.722 92 S HA -0.023 4.462 4.470 0.024 0.000 0.446 92 S C 1.727 176.312 174.600 -0.024 0.000 1.120 92 S CA 0.567 58.773 58.200 0.011 0.000 0.854 92 S CB 0.200 63.435 63.200 0.059 0.000 0.669 92 S HN 0.905 nan 8.310 nan 0.000 0.454 93 A N 5.436 128.227 122.820 -0.048 0.000 2.014 93 A HA 0.055 4.389 4.320 0.024 0.000 0.218 93 A C 2.058 179.584 177.584 -0.096 0.000 1.163 93 A CA 1.190 53.191 52.037 -0.060 0.000 0.652 93 A CB -0.371 18.596 19.000 -0.055 0.000 0.808 93 A HN 0.862 nan 8.150 nan 0.000 0.449 94 L N -0.548 120.576 121.223 -0.166 0.000 2.131 94 L HA -0.177 4.178 4.340 0.024 0.000 0.210 94 L C 2.340 179.120 176.870 -0.150 0.000 1.092 94 L CA 1.130 55.822 54.840 -0.247 0.000 0.759 94 L CB -0.464 41.245 42.059 -0.583 0.000 0.903 94 L HN 0.411 nan 8.230 nan 0.000 0.435 95 I N -0.482 120.038 120.570 -0.083 0.000 2.235 95 I HA -0.230 3.954 4.170 0.024 0.000 0.241 95 I C 2.021 178.119 176.117 -0.032 0.000 1.085 95 I CA 1.364 62.648 61.300 -0.027 0.000 1.378 95 I CB -0.474 37.536 38.000 0.017 0.000 1.076 95 I HN 0.300 nan 8.210 nan 0.000 0.415 96 N N 0.864 119.546 118.700 -0.031 0.000 2.149 96 N HA -0.186 4.568 4.740 0.024 0.000 0.188 96 N C 0.792 176.284 175.510 -0.030 0.000 1.019 96 N CA 1.193 54.228 53.050 -0.026 0.000 0.857 96 N CB -0.054 38.419 38.487 -0.022 0.000 0.997 96 N HN 0.316 nan 8.380 nan 0.000 0.426 97 D N 0.594 120.969 120.400 -0.041 0.000 2.340 97 D HA 0.046 4.700 4.640 0.024 0.000 0.220 97 D C -0.042 176.234 176.300 -0.039 0.000 1.039 97 D CA 0.307 54.284 54.000 -0.038 0.000 0.866 97 D CB 0.187 40.960 40.800 -0.044 0.000 0.913 97 D HN 0.133 nan 8.370 nan 0.000 0.523 98 K N 0.047 120.420 120.400 -0.044 0.000 3.096 98 K HA -0.242 4.092 4.320 0.024 0.000 0.266 98 K C 0.738 177.306 176.600 -0.054 0.000 1.043 98 K CA 0.219 56.479 56.287 -0.046 0.000 0.758 98 K CB -1.156 31.325 32.500 -0.032 0.000 1.260 98 K HN 0.259 nan 8.250 nan 0.000 0.481 99 R N -0.204 120.253 120.500 -0.071 0.000 2.276 99 R HA 0.138 4.492 4.340 0.024 0.000 0.196 99 R C 0.786 177.037 176.300 -0.081 0.000 0.961 99 R CA 0.738 56.795 56.100 -0.072 0.000 1.024 99 R CB 0.518 30.765 30.300 -0.089 0.000 0.940 99 R HN 0.303 nan 8.270 nan 0.000 0.480 100 A N 1.326 124.090 122.820 -0.093 0.000 2.350 100 A HA 0.657 4.991 4.320 0.024 0.000 0.324 100 A C -0.721 176.778 177.584 -0.141 0.000 1.118 100 A CA -0.830 51.161 52.037 -0.077 0.000 0.783 100 A CB 1.079 20.076 19.000 -0.004 0.000 1.236 100 A HN -0.024 nan 8.150 nan 0.000 0.457 101 R N 0.986 121.338 120.500 -0.246 0.000 2.686 101 R HA 0.713 5.067 4.340 0.024 0.000 0.286 101 R C -1.293 174.730 176.300 -0.462 0.000 0.969 101 R CA -0.511 55.248 56.100 -0.568 0.000 0.898 101 R CB 1.317 30.868 30.300 -1.249 0.000 1.183 101 R HN 0.637 nan 8.270 nan 0.000 0.456 102 T N 0.822 115.163 114.554 -0.356 0.000 2.824 102 T HA 0.682 5.046 4.350 0.024 0.000 0.282 102 T C -0.726 174.059 174.700 0.143 0.000 0.993 102 T CA -0.609 61.456 62.100 -0.058 0.000 0.967 102 T CB 1.922 70.783 68.868 -0.011 0.000 0.960 102 T HN 0.622 nan 8.240 nan 0.000 0.441 103 A N 2.954 125.964 122.820 0.318 0.000 2.318 103 A HA 0.621 4.955 4.320 0.024 0.000 0.324 103 A C -0.052 177.717 177.584 0.308 0.000 1.170 103 A CA -0.734 51.538 52.037 0.391 0.000 0.810 103 A CB 0.952 20.185 19.000 0.387 0.000 1.198 103 A HN 0.775 nan 8.150 nan 0.000 0.484 104 Q N 1.522 121.496 119.800 0.289 0.000 2.313 104 Q HA 0.437 4.791 4.340 0.024 0.000 0.266 104 Q C -0.061 176.038 176.000 0.166 0.000 0.989 104 Q CA 0.360 56.297 55.803 0.224 0.000 0.890 104 Q CB 0.543 29.267 28.738 -0.023 0.000 1.200 104 Q HN 0.847 nan 8.270 nan 0.000 0.396 105 T N 0.679 115.308 114.554 0.125 0.000 2.887 105 T HA 0.532 4.896 4.350 0.024 0.000 0.292 105 T C -2.715 171.942 174.700 -0.071 0.000 1.087 105 T CA -2.224 59.925 62.100 0.082 0.000 1.009 105 T CB 1.677 70.636 68.868 0.150 0.000 1.203 105 T HN 0.387 nan 8.240 nan 0.000 0.518 106 P HA 0.415 nan 4.420 nan 0.000 0.237 106 P C 0.660 177.909 177.300 -0.085 0.000 1.788 106 P CA 1.024 63.993 63.100 -0.218 0.000 1.061 106 P CB -0.386 31.087 31.700 -0.377 0.000 1.967 107 G N 1.674 110.453 108.800 -0.035 0.000 2.796 107 G HA2 -0.105 3.869 3.960 0.024 0.000 0.571 107 G HA3 -0.105 3.869 3.960 0.024 0.000 0.571 107 G C 1.028 175.937 174.900 0.016 0.000 1.370 107 G CA -0.522 44.577 45.100 -0.002 0.000 0.856 107 G HN 0.389 nan 8.290 nan 0.000 0.538 108 G N -1.474 107.321 108.800 -0.008 0.000 2.443 108 G HA2 0.131 4.105 3.960 0.024 0.000 0.219 108 G HA3 0.131 4.105 3.960 0.024 0.000 0.219 108 G C 1.775 176.713 174.900 0.063 0.000 1.131 108 G CA 2.340 47.438 45.100 -0.003 0.000 0.775 108 G HN 1.194 nan 8.290 nan 0.000 0.547 109 T N 0.836 115.441 114.554 0.086 0.000 2.812 109 T HA -0.000 4.364 4.350 0.024 0.000 0.264 109 T C 2.510 177.271 174.700 0.101 0.000 1.042 109 T CA 1.239 63.439 62.100 0.165 0.000 1.140 109 T CB -0.380 68.618 68.868 0.216 0.000 0.870 109 T HN 0.319 nan 8.240 nan 0.000 0.445 110 G N 0.975 109.818 108.800 0.072 0.000 2.422 110 G HA2 0.024 3.998 3.960 0.024 0.000 0.218 110 G HA3 0.024 3.998 3.960 0.024 0.000 0.218 110 G C 1.779 176.753 174.900 0.123 0.000 1.140 110 G CA 0.803 45.951 45.100 0.080 0.000 0.775 110 G HN 0.564 nan 8.290 nan 0.000 0.545 111 A N 0.610 123.498 122.820 0.113 0.000 1.898 111 A HA 0.134 4.468 4.320 0.024 0.000 0.216 111 A C 2.402 180.071 177.584 0.141 0.000 1.181 111 A CA 1.095 53.212 52.037 0.133 0.000 0.620 111 A CB -0.357 18.713 19.000 0.116 0.000 0.819 111 A HN 0.345 nan 8.150 nan 0.000 0.442 112 L N -1.137 120.160 121.223 0.122 0.000 2.056 112 L HA -0.166 4.188 4.340 0.024 0.000 0.207 112 L C 2.759 179.667 176.870 0.062 0.000 1.078 112 L CA 1.653 56.553 54.840 0.100 0.000 0.749 112 L CB -0.413 41.663 42.059 0.029 0.000 0.901 112 L HN 0.379 nan 8.230 nan 0.000 0.433 113 R N 0.776 121.303 120.500 0.044 0.000 2.073 113 R HA -0.142 4.212 4.340 0.024 0.000 0.234 113 R C 2.167 178.540 176.300 0.121 0.000 1.134 113 R CA 2.186 58.317 56.100 0.052 0.000 0.952 113 R CB -1.026 29.305 30.300 0.051 0.000 0.850 113 R HN 0.343 nan 8.270 nan 0.000 0.433 114 V N -1.196 118.807 119.914 0.149 0.000 2.490 114 V HA -0.048 4.086 4.120 0.024 0.000 0.250 114 V C 2.169 178.384 176.094 0.201 0.000 1.061 114 V CA 1.783 64.175 62.300 0.154 0.000 1.064 114 V CB -1.309 30.601 31.823 0.145 0.000 0.670 114 V HN 0.346 nan 8.190 nan 0.000 0.461 115 A N 0.742 123.694 122.820 0.220 0.000 1.898 115 A HA 0.137 4.471 4.320 0.024 0.000 0.216 115 A C 2.508 180.314 177.584 0.370 0.000 1.181 115 A CA 2.250 54.469 52.037 0.303 0.000 0.620 115 A CB -1.064 18.108 19.000 0.286 0.000 0.819 115 A HN 0.958 nan 8.150 nan 0.000 0.442 116 A N -0.016 122.989 122.820 0.309 0.000 1.898 116 A HA -0.153 4.181 4.320 0.024 0.000 0.216 116 A C 1.765 179.475 177.584 0.210 0.000 1.181 116 A CA 1.859 54.079 52.037 0.306 0.000 0.620 116 A CB -0.563 18.617 19.000 0.299 0.000 0.819 116 A HN 0.428 nan 8.150 nan 0.000 0.442 117 D N -1.115 119.394 120.400 0.181 0.000 2.144 117 D HA -0.111 4.543 4.640 0.024 0.000 0.199 117 D C 1.571 177.961 176.300 0.150 0.000 0.984 117 D CA 1.213 55.292 54.000 0.132 0.000 0.834 117 D CB -0.387 40.478 40.800 0.108 0.000 0.955 117 D HN 0.491 nan 8.370 nan 0.000 0.465 118 F N 1.324 121.313 119.950 0.065 0.000 2.060 118 F HA -0.101 4.441 4.527 0.024 0.000 0.295 118 F C 2.069 177.910 175.800 0.069 0.000 1.120 118 F CA 1.179 59.214 58.000 0.058 0.000 1.205 118 F CB -0.558 38.486 39.000 0.074 0.000 0.986 118 F HN -0.135 nan 8.300 nan 0.000 0.470 119 L N 0.361 121.509 121.223 -0.125 0.000 2.042 119 L HA -0.234 4.120 4.340 0.024 0.000 0.210 119 L C 2.802 179.577 176.870 -0.160 0.000 1.076 119 L CA 1.360 56.067 54.840 -0.223 0.000 0.749 119 L CB -1.229 40.862 42.059 0.054 0.000 0.893 119 L HN 0.344 nan 8.230 nan 0.000 0.432 120 A N -0.142 122.648 122.820 -0.050 0.000 2.015 120 A HA -0.174 4.161 4.320 0.024 0.000 0.219 120 A C 2.172 179.722 177.584 -0.057 0.000 1.163 120 A CA 1.531 53.551 52.037 -0.029 0.000 0.646 120 A CB -0.178 18.833 19.000 0.020 0.000 0.806 120 A HN 0.401 nan 8.150 nan 0.000 0.448 121 K N -1.039 119.309 120.400 -0.087 0.000 2.367 121 K HA 0.161 4.496 4.320 0.024 0.000 0.195 121 K C 0.412 176.945 176.600 -0.112 0.000 1.060 121 K CA 0.394 56.636 56.287 -0.075 0.000 1.022 121 K CB 0.361 32.840 32.500 -0.036 0.000 0.894 121 K HN 0.363 nan 8.250 nan 0.000 0.540 122 N N 0.069 118.635 118.700 -0.223 0.000 2.159 122 N HA 0.067 4.821 4.740 0.024 0.000 0.217 122 N C -0.291 175.083 175.510 -0.227 0.000 1.223 122 N CA 0.202 53.117 53.050 -0.225 0.000 0.896 122 N CB 1.599 39.906 38.487 -0.300 0.000 1.064 122 N HN -0.090 nan 8.380 nan 0.000 0.518 123 T N -0.227 114.193 114.554 -0.224 0.000 2.907 123 T HA 0.225 4.589 4.350 0.024 0.000 0.290 123 T C 0.703 175.360 174.700 -0.072 0.000 1.066 123 T CA -0.457 61.556 62.100 -0.145 0.000 1.012 123 T CB 1.835 70.591 68.868 -0.187 0.000 1.184 123 T HN 0.007 nan 8.240 nan 0.000 0.522 124 S N 0.043 115.725 115.700 -0.029 0.000 2.614 124 S HA 0.257 4.741 4.470 0.024 0.000 0.230 124 S C 0.486 175.091 174.600 0.007 0.000 0.952 124 S CA -0.473 57.723 58.200 -0.006 0.000 0.949 124 S CB -0.311 62.894 63.200 0.009 0.000 0.786 124 S HN 0.398 nan 8.310 nan 0.000 0.478 125 V N 2.344 122.259 119.914 0.001 0.000 2.715 125 V HA 0.288 4.422 4.120 0.024 0.000 0.299 125 V C 0.264 176.361 176.094 0.004 0.000 1.054 125 V CA 0.168 62.477 62.300 0.016 0.000 1.077 125 V CB 0.843 32.675 31.823 0.016 0.000 0.972 125 V HN 0.464 nan 8.190 nan 0.000 0.484 134 W N 3.667 124.801 121.300 -0.277 0.000 2.335 134 W HA 0.741 5.415 4.660 0.023 0.000 0.307 134 W C -0.266 176.190 176.519 -0.104 0.000 1.117 134 W CA -0.472 56.775 57.345 -0.164 0.000 1.228 134 W CB 1.728 31.062 29.460 -0.210 0.000 1.240 134 W HN 0.377 nan 8.180 nan 0.000 0.468 135 V N 3.892 123.824 119.914 0.029 0.000 2.555 135 V HA 0.356 4.490 4.120 0.024 0.000 0.302 135 V C 0.366 176.221 176.094 -0.398 0.000 1.038 135 V CA -1.177 61.071 62.300 -0.088 0.000 0.887 135 V CB 1.577 33.376 31.823 -0.039 0.000 0.991 135 V HN 0.577 nan 8.190 nan 0.000 0.434 136 S N 3.269 118.528 115.700 -0.736 0.000 2.572 136 S HA 0.157 4.641 4.470 0.024 0.000 0.267 136 S C -0.120 174.217 174.600 -0.439 0.000 1.361 136 S CA -0.179 57.358 58.200 -1.105 0.000 1.009 136 S CB 0.322 62.997 63.200 -0.875 0.000 0.888 136 S HN 0.811 nan 8.310 nan 0.000 0.553 137 N N 2.037 120.556 118.700 -0.303 0.000 2.491 137 N HA 0.526 5.281 4.740 0.024 0.000 0.274 137 N C -2.728 172.804 175.510 0.037 0.000 1.023 137 N CA -1.887 51.117 53.050 -0.076 0.000 0.902 137 N CB 1.681 40.157 38.487 -0.018 0.000 1.267 137 N HN 0.473 nan 8.380 nan 0.000 0.503 138 P HA 0.385 nan 4.420 nan 0.000 0.281 138 P C -0.805 176.466 177.300 -0.049 0.000 1.281 138 P CA -0.422 62.674 63.100 -0.006 0.000 0.811 138 P CB 1.748 33.443 31.700 -0.007 0.000 1.154 139 S N -1.365 114.313 115.700 -0.037 0.000 2.688 139 S HA 0.402 4.886 4.470 0.024 0.000 0.275 139 S C -1.906 172.735 174.600 0.069 0.000 1.175 139 S CA -0.658 57.551 58.200 0.016 0.000 0.818 139 S CB 0.130 63.447 63.200 0.195 0.000 1.157 139 S HN 0.451 nan 8.310 nan 0.000 0.482 140 W N 3.763 124.996 121.300 -0.111 0.000 2.489 140 W HA 0.352 5.027 4.660 0.024 0.000 0.327 140 W C -2.325 174.064 176.519 -0.215 0.000 1.436 140 W CA -1.583 55.605 57.345 -0.260 0.000 1.315 140 W CB -0.008 29.159 29.460 -0.489 0.000 1.373 140 W HN 0.533 nan 8.180 nan 0.000 0.557 141 P HA -0.309 nan 4.420 nan 0.000 0.218 141 P C 1.269 178.201 177.300 -0.613 0.000 1.152 141 P CA 2.178 65.055 63.100 -0.372 0.000 0.857 141 P CB 0.212 31.757 31.700 -0.259 0.000 0.787 142 N N -2.142 115.778 118.700 -1.300 0.000 2.571 142 N HA -0.104 4.650 4.740 0.024 0.000 0.189 142 N C 1.398 176.352 175.510 -0.927 0.000 1.154 142 N CA 0.583 52.866 53.050 -1.278 0.000 0.907 142 N CB -0.544 36.859 38.487 -1.806 0.000 0.977 142 N HN 0.331 nan 8.380 nan 0.000 0.449 143 H N 0.160 118.843 119.070 -0.646 0.000 2.293 143 H HA -0.080 4.491 4.556 0.023 0.000 0.300 143 H C 1.859 177.088 175.328 -0.164 0.000 1.082 143 H CA 1.424 57.312 56.048 -0.267 0.000 1.308 143 H CB 0.279 30.084 29.762 0.071 0.000 1.375 143 H HN 0.281 nan 8.280 nan 0.000 0.495 144 K N 0.437 120.868 120.400 0.051 0.000 2.097 144 K HA -0.077 4.257 4.320 0.024 0.000 0.206 144 K C 2.206 178.787 176.600 -0.033 0.000 1.049 144 K CA 1.532 57.854 56.287 0.058 0.000 0.933 144 K CB -0.320 32.178 32.500 -0.002 0.000 0.717 144 K HN 0.105 nan 8.250 nan 0.000 0.442 145 S N 1.477 117.090 115.700 -0.145 0.000 2.368 145 S HA -0.081 4.403 4.470 0.024 0.000 0.225 145 S C 2.278 176.786 174.600 -0.154 0.000 1.030 145 S CA 1.261 59.371 58.200 -0.150 0.000 0.999 145 S CB -0.362 62.718 63.200 -0.201 0.000 0.844 145 S HN 0.115 nan 8.310 nan 0.000 0.459 146 V N 1.273 121.031 119.914 -0.259 0.000 2.270 146 V HA -0.141 3.993 4.120 0.024 0.000 0.245 146 V C 2.008 177.961 176.094 -0.235 0.000 1.043 146 V CA 1.712 63.830 62.300 -0.303 0.000 1.014 146 V CB -0.863 30.669 31.823 -0.485 0.000 0.645 146 V HN 0.375 nan 8.190 nan 0.000 0.447 147 F N 0.913 120.858 119.950 -0.008 0.000 2.134 147 F HA -0.133 4.409 4.527 0.024 0.000 0.299 147 F C 2.340 178.126 175.800 -0.023 0.000 1.097 147 F CA 1.481 59.475 58.000 -0.010 0.000 1.264 147 F CB -1.163 37.821 39.000 -0.026 0.000 1.001 147 F HN 0.190 nan 8.300 nan 0.000 0.479 148 N N -0.151 118.620 118.700 0.119 0.000 2.223 148 N HA -0.139 4.615 4.740 0.024 0.000 0.185 148 N C 1.927 177.453 175.510 0.027 0.000 1.016 148 N CA 1.346 54.426 53.050 0.050 0.000 0.863 148 N CB -0.618 37.874 38.487 0.009 0.000 0.983 148 N HN 0.093 nan 8.380 nan 0.000 0.429 149 S N -0.085 115.621 115.700 0.009 0.000 2.419 149 S HA 0.003 4.487 4.470 0.024 0.000 0.233 149 S C 1.693 176.307 174.600 0.023 0.000 1.016 149 S CA 0.937 59.139 58.200 0.002 0.000 0.974 149 S CB -0.062 63.126 63.200 -0.019 0.000 0.786 149 S HN 0.504 nan 8.310 nan 0.000 0.492 150 A N -0.088 122.762 122.820 0.050 0.000 2.275 150 A HA 0.548 4.882 4.320 0.024 0.000 0.212 150 A C 1.629 179.245 177.584 0.053 0.000 1.201 150 A CA 0.774 52.849 52.037 0.062 0.000 0.843 150 A CB -0.400 18.662 19.000 0.104 0.000 0.873 150 A HN 0.740 nan 8.150 nan 0.000 0.492 151 G N -1.611 107.216 108.800 0.045 0.000 2.194 151 G HA2 -0.172 3.802 3.960 0.024 0.000 0.236 151 G HA3 -0.172 3.802 3.960 0.024 0.000 0.236 151 G C 0.109 175.024 174.900 0.026 0.000 0.987 151 G CA 0.180 45.296 45.100 0.028 0.000 0.635 151 G HN 0.259 nan 8.290 nan 0.000 0.520 155 V N 2.696 122.508 119.914 -0.169 0.000 2.370 155 V HA 0.543 4.677 4.120 0.024 0.000 0.283 155 V C 0.054 175.936 176.094 -0.353 0.000 1.023 155 V CA -0.789 61.367 62.300 -0.240 0.000 0.857 155 V CB 1.274 33.034 31.823 -0.105 0.000 0.985 155 V HN 0.376 nan 8.190 nan 0.000 0.443 156 R N 3.059 123.188 120.500 -0.619 0.000 2.732 156 R HA 0.669 5.023 4.340 0.024 0.000 0.278 156 R C -0.556 175.390 176.300 -0.590 0.000 0.976 156 R CA -0.678 54.917 56.100 -0.841 0.000 0.963 156 R CB 2.109 31.326 30.300 -1.805 0.000 1.150 156 R HN 0.714 nan 8.270 nan 0.000 0.478 157 E N 1.377 121.386 120.200 -0.318 0.000 2.212 157 E HA 0.318 4.683 4.350 0.024 0.000 0.268 157 E C -1.061 175.690 176.600 0.251 0.000 0.902 157 E CA -0.773 55.598 56.400 -0.049 0.000 0.779 157 E CB 1.918 31.577 29.700 -0.070 0.000 1.172 157 E HN 0.456 nan 8.360 nan 0.000 0.409 158 Y N -0.381 120.052 120.300 0.220 0.000 2.468 158 Y HA 0.749 5.313 4.550 0.023 0.000 0.342 158 Y C -0.229 175.760 175.900 0.148 0.000 1.021 158 Y CA -1.505 56.723 58.100 0.212 0.000 1.079 158 Y CB 0.771 39.318 38.460 0.144 0.000 1.226 158 Y HN 0.499 nan 8.280 nan 0.000 0.460 159 A N 2.368 125.369 122.820 0.300 0.000 2.466 159 A HA 0.334 4.668 4.320 0.024 0.000 0.238 159 A C -0.763 177.012 177.584 0.318 0.000 1.074 159 A CA 0.390 52.555 52.037 0.214 0.000 0.774 159 A CB -0.081 19.005 19.000 0.144 0.000 1.015 159 A HN 1.052 nan 8.150 nan 0.000 0.498 160 Y N 0.305 120.651 120.300 0.078 0.000 3.341 160 Y HA 0.223 4.787 4.550 0.024 0.000 0.179 160 Y C -0.204 175.750 175.900 0.090 0.000 0.929 160 Y CA 0.088 58.227 58.100 0.064 0.000 1.758 160 Y CB 0.026 38.434 38.460 -0.087 0.000 1.446 160 Y HN 0.653 nan 8.280 nan 0.000 0.337 161 Y N 3.063 123.417 120.300 0.091 0.000 2.319 161 Y HA 0.354 4.919 4.550 0.024 0.000 0.328 161 Y C -0.545 175.363 175.900 0.014 0.000 1.133 161 Y CA -0.925 57.195 58.100 0.033 0.000 1.265 161 Y CB 0.640 39.190 38.460 0.149 0.000 1.218 161 Y HN 0.182 nan 8.280 nan 0.000 0.508 162 D N 4.858 124.943 120.400 -0.526 0.000 2.467 162 D HA 0.302 4.956 4.640 0.024 0.000 0.220 162 D C 0.592 176.338 176.300 -0.924 0.000 1.103 162 D CA 0.173 53.869 54.000 -0.507 0.000 0.886 162 D CB 1.024 41.620 40.800 -0.340 0.000 1.025 162 D HN 0.753 nan 8.370 nan 0.000 0.514 163 A N 3.859 126.262 122.820 -0.696 0.000 1.978 163 A HA -0.195 4.140 4.320 0.024 0.000 0.220 163 A C 1.910 179.103 177.584 -0.652 0.000 1.170 163 A CA 1.543 53.241 52.037 -0.566 0.000 0.636 163 A CB -0.348 18.572 19.000 -0.134 0.000 0.810 163 A HN 0.675 nan 8.150 nan 0.000 0.448 164 E N -0.369 119.515 120.200 -0.528 0.000 2.015 164 E HA -0.196 4.168 4.350 0.024 0.000 0.191 164 E C 1.629 177.805 176.600 -0.707 0.000 0.991 164 E CA 1.443 57.540 56.400 -0.505 0.000 0.802 164 E CB -0.109 29.415 29.700 -0.295 0.000 0.759 164 E HN 0.581 nan 8.360 nan 0.000 0.447 165 N N -0.670 117.703 118.700 -0.545 0.000 2.446 165 N HA -0.007 4.748 4.740 0.024 0.000 0.179 165 N C -0.756 174.532 175.510 -0.370 0.000 1.054 165 N CA 0.747 53.564 53.050 -0.389 0.000 0.905 165 N CB 0.143 38.504 38.487 -0.210 0.000 0.973 165 N HN 0.254 nan 8.380 nan 0.000 0.448 166 H N -2.128 116.719 119.070 -0.372 0.000 2.889 166 H HA -0.132 4.438 4.556 0.024 0.000 0.324 166 H C -0.632 174.666 175.328 -0.051 0.000 1.274 166 H CA 0.807 56.687 56.048 -0.279 0.000 1.176 166 H CB -2.156 27.498 29.762 -0.180 0.000 1.479 166 H HN 0.084 nan 8.280 nan 0.000 0.438 167 T N -0.342 114.127 114.554 -0.142 0.000 2.742 167 T HA 0.454 4.819 4.350 0.024 0.000 0.282 167 T C -0.196 174.467 174.700 -0.062 0.000 1.025 167 T CA -1.083 61.000 62.100 -0.027 0.000 1.020 167 T CB 2.036 70.862 68.868 -0.069 0.000 1.317 167 T HN 0.153 nan 8.240 nan 0.000 0.538 168 L N 2.639 123.806 121.223 -0.092 0.000 2.261 168 L HA 0.342 4.697 4.340 0.024 0.000 0.289 168 L C -0.523 176.264 176.870 -0.138 0.000 1.059 168 L CA -0.146 54.562 54.840 -0.220 0.000 0.816 168 L CB 0.419 42.307 42.059 -0.284 0.000 1.191 168 L HN 0.683 nan 8.230 nan 0.000 0.431 169 D N 4.409 124.728 120.400 -0.135 0.000 2.498 169 D HA -0.063 4.591 4.640 0.024 0.000 0.229 169 D C 1.035 177.353 176.300 0.030 0.000 1.188 169 D CA -0.063 53.906 54.000 -0.052 0.000 1.028 169 D CB 0.036 40.799 40.800 -0.061 0.000 1.087 169 D HN 0.479 nan 8.370 nan 0.000 0.510 170 F N 1.875 121.751 119.950 -0.122 0.000 2.171 170 F HA -0.183 4.358 4.527 0.023 0.000 0.300 170 F C 1.615 177.391 175.800 -0.040 0.000 1.090 170 F CA 1.212 59.160 58.000 -0.087 0.000 1.293 170 F CB 0.130 39.083 39.000 -0.079 0.000 1.013 170 F HN 0.252 nan 8.300 nan 0.000 0.486 171 D N 0.021 120.436 120.400 0.025 0.000 2.104 171 D HA -0.173 4.481 4.640 0.024 0.000 0.194 171 D C 2.386 178.643 176.300 -0.071 0.000 0.994 171 D CA 1.617 55.589 54.000 -0.047 0.000 0.830 171 D CB -0.831 39.967 40.800 -0.004 0.000 0.959 171 D HN 0.302 nan 8.370 nan 0.000 0.452 172 A N 0.643 123.443 122.820 -0.033 0.000 1.933 172 A HA -0.093 4.241 4.320 0.024 0.000 0.218 172 A C 2.229 179.810 177.584 -0.005 0.000 1.175 172 A CA 0.885 52.916 52.037 -0.009 0.000 0.628 172 A CB -0.810 18.198 19.000 0.014 0.000 0.814 172 A HN 0.284 nan 8.150 nan 0.000 0.444 173 L N -0.295 120.911 121.223 -0.028 0.000 1.989 173 L HA -0.184 4.170 4.340 0.024 0.000 0.211 173 L C 2.309 179.084 176.870 -0.158 0.000 1.071 173 L CA 1.545 56.376 54.840 -0.014 0.000 0.749 173 L CB -0.278 41.762 42.059 -0.032 0.000 0.890 173 L HN 0.301 nan 8.230 nan 0.000 0.431 174 I N 0.490 120.887 120.570 -0.288 0.000 2.127 174 I HA -0.348 3.836 4.170 0.024 0.000 0.241 174 I C 2.214 178.254 176.117 -0.127 0.000 1.075 174 I CA 2.009 63.160 61.300 -0.249 0.000 1.334 174 I CB -1.797 36.019 38.000 -0.307 0.000 1.040 174 I HN 0.455 nan 8.210 nan 0.000 0.405 175 N N 0.201 118.845 118.700 -0.094 0.000 2.205 175 N HA -0.148 4.607 4.740 0.024 0.000 0.186 175 N C 1.907 177.397 175.510 -0.033 0.000 1.015 175 N CA 1.384 54.406 53.050 -0.047 0.000 0.862 175 N CB -0.030 38.441 38.487 -0.026 0.000 0.986 175 N HN 0.279 nan 8.380 nan 0.000 0.429 176 S N 0.871 116.555 115.700 -0.027 0.000 2.357 176 S HA 0.064 4.548 4.470 0.024 0.000 0.221 176 S C 1.867 176.363 174.600 -0.174 0.000 1.031 176 S CA 0.539 58.748 58.200 0.015 0.000 0.982 176 S CB -0.102 63.185 63.200 0.146 0.000 0.853 176 S HN 0.242 nan 8.310 nan 0.000 0.458 177 L N 2.020 123.053 121.223 -0.318 0.000 2.362 177 L HA -0.022 4.332 4.340 0.024 0.000 0.219 177 L C 1.848 178.524 176.870 -0.323 0.000 1.134 177 L CA 0.523 54.982 54.840 -0.634 0.000 0.807 177 L CB -0.501 41.146 42.059 -0.686 0.000 0.927 177 L HN 0.304 nan 8.230 nan 0.000 0.447 178 N N 0.326 118.958 118.700 -0.113 0.000 2.573 178 N HA -0.196 4.559 4.740 0.024 0.000 0.187 178 N C 1.473 176.969 175.510 -0.024 0.000 1.107 178 N CA 0.858 53.906 53.050 -0.002 0.000 0.918 178 N CB 0.172 38.655 38.487 -0.007 0.000 0.966 178 N HN 0.479 nan 8.380 nan 0.000 0.448 179 E N -0.121 120.008 120.200 -0.119 0.000 2.474 179 E HA 0.167 4.531 4.350 0.024 0.000 0.195 179 E C -0.207 176.379 176.600 -0.023 0.000 1.039 179 E CA -0.297 56.098 56.400 -0.008 0.000 0.881 179 E CB 0.335 30.113 29.700 0.129 0.000 0.970 179 E HN 0.156 nan 8.360 nan 0.000 0.486 180 A N 1.215 123.831 122.820 -0.340 0.000 2.366 180 A HA 0.289 4.623 4.320 0.024 0.000 0.272 180 A C -0.269 177.402 177.584 0.145 0.000 1.135 180 A CA -0.374 51.450 52.037 -0.357 0.000 0.804 180 A CB 0.646 18.868 19.000 -1.297 0.000 1.064 180 A HN 0.205 nan 8.150 nan 0.000 0.499 181 Q N 0.773 120.701 119.800 0.212 0.000 2.212 181 Q HA 0.568 4.922 4.340 0.024 0.000 0.238 181 Q C 0.305 176.474 176.000 0.281 0.000 0.955 181 Q CA -0.296 55.640 55.803 0.220 0.000 0.906 181 Q CB 1.290 30.129 28.738 0.168 0.000 1.215 181 Q HN 0.918 nan 8.270 nan 0.000 0.478 182 A N 0.571 123.503 122.820 0.186 0.000 2.524 182 A HA 0.439 4.773 4.320 0.024 0.000 0.250 182 A C 1.020 178.706 177.584 0.170 0.000 1.078 182 A CA 0.768 52.901 52.037 0.159 0.000 0.761 182 A CB -0.865 18.174 19.000 0.065 0.000 1.012 182 A HN 0.950 nan 8.150 nan 0.000 0.500 183 G N 2.234 111.157 108.800 0.205 0.000 2.195 183 G HA2 -0.155 3.819 3.960 0.024 0.000 0.224 183 G HA3 -0.155 3.819 3.960 0.024 0.000 0.224 183 G C -0.129 174.877 174.900 0.176 0.000 0.990 183 G CA 0.192 45.391 45.100 0.165 0.000 0.639 183 G HN 0.758 nan 8.290 nan 0.000 0.514 184 D N 0.073 120.609 120.400 0.227 0.000 2.312 184 D HA 0.567 5.221 4.640 0.024 0.000 0.248 184 D C 0.547 176.945 176.300 0.163 0.000 1.086 184 D CA -0.187 53.930 54.000 0.195 0.000 0.948 184 D CB 1.875 42.822 40.800 0.244 0.000 1.162 184 D HN 0.127 nan 8.370 nan 0.000 0.446 185 V N 1.361 121.338 119.914 0.105 0.000 2.539 185 V HA 0.365 4.499 4.120 0.024 0.000 0.292 185 V C 0.031 176.111 176.094 -0.024 0.000 1.045 185 V CA -0.618 61.709 62.300 0.046 0.000 0.945 185 V CB 1.818 33.616 31.823 -0.042 0.000 0.993 185 V HN 0.226 nan 8.190 nan 0.000 0.464 186 V N 5.582 125.441 119.914 -0.091 0.000 2.443 186 V HA 0.351 4.485 4.120 0.024 0.000 0.293 186 V C -0.353 175.524 176.094 -0.363 0.000 1.021 186 V CA -0.595 61.519 62.300 -0.310 0.000 0.848 186 V CB 1.751 33.222 31.823 -0.587 0.000 0.998 186 V HN 0.628 nan 8.190 nan 0.000 0.424 187 L N 5.993 127.019 121.223 -0.329 0.000 2.281 187 L HA 0.581 4.935 4.340 0.024 0.000 0.285 187 L C -1.213 175.437 176.870 -0.367 0.000 1.074 187 L CA 0.494 55.174 54.840 -0.266 0.000 0.817 187 L CB 0.593 42.527 42.059 -0.209 0.000 1.168 187 L HN 0.473 nan 8.230 nan 0.000 0.434 188 F N 3.633 123.456 119.950 -0.211 0.000 2.522 188 F HA 0.432 4.973 4.527 0.023 0.000 0.324 188 F C 0.598 176.329 175.800 -0.114 0.000 1.077 188 F CA -0.638 57.225 58.000 -0.227 0.000 0.944 188 F CB 1.226 39.714 39.000 -0.853 0.000 1.175 188 F HN 0.407 nan 8.300 nan 0.000 0.468 189 H N 1.548 120.751 119.070 0.223 0.000 2.604 189 H HA 0.159 4.729 4.556 0.024 0.000 0.306 189 H C 0.987 176.489 175.328 0.290 0.000 1.075 189 H CA 0.069 56.258 56.048 0.235 0.000 1.357 189 H CB 1.619 31.537 29.762 0.261 0.000 1.426 189 H HN 0.952 nan 8.280 nan 0.000 0.470 190 G N 3.185 112.045 108.800 0.100 0.000 2.476 190 G HA2 -0.214 3.760 3.960 0.024 0.000 0.218 190 G HA3 -0.214 3.760 3.960 0.024 0.000 0.218 190 G C 0.584 175.528 174.900 0.074 0.000 1.164 190 G CA 1.261 46.092 45.100 -0.449 0.000 0.768 190 G HN 0.764 nan 8.290 nan 0.000 0.560 191 C N -5.459 114.083 119.300 0.403 0.000 3.275 191 C HA 0.527 5.001 4.460 0.024 0.000 0.340 191 C C 0.323 175.609 174.990 0.494 0.000 1.366 191 C CA -0.973 58.360 59.018 0.525 0.000 1.227 191 C CB 0.669 28.743 27.740 0.556 0.000 1.512 191 C HN 0.977 nan 8.230 nan 0.000 0.461 192 C N 2.246 121.768 119.300 0.370 0.000 3.690 192 C HA -0.124 4.350 4.460 0.024 0.000 0.295 192 C C 0.526 175.644 174.990 0.213 0.000 1.283 192 C CA 1.097 60.236 59.018 0.202 0.000 2.212 192 C CB -3.255 24.498 27.740 0.022 0.000 1.407 192 C HN 1.241 nan 8.230 nan 0.000 0.595 193 H N 1.918 121.100 119.070 0.185 0.000 3.157 193 H HA 0.046 4.616 4.556 0.024 0.000 0.299 193 H C 0.539 175.875 175.328 0.013 0.000 0.961 193 H CA 1.212 57.299 56.048 0.066 0.000 1.428 193 H CB 0.495 30.221 29.762 -0.061 0.000 1.459 193 H HN 0.709 nan 8.280 nan 0.000 0.566 194 N N 7.075 125.572 118.700 -0.339 0.000 2.422 194 N HA 0.127 4.881 4.740 0.024 0.000 0.266 194 N C -2.136 173.075 175.510 -0.497 0.000 1.007 194 N CA -2.250 50.682 53.050 -0.197 0.000 0.941 194 N CB 1.428 39.957 38.487 0.069 0.000 1.115 194 N HN 0.403 nan 8.380 nan 0.000 0.492 195 P HA 0.119 nan 4.420 nan 0.000 0.275 195 P C 0.663 177.700 177.300 -0.439 0.000 1.310 195 P CA 0.221 63.071 63.100 -0.417 0.000 0.904 195 P CB 0.253 31.652 31.700 -0.501 0.000 1.381 196 T N -4.006 110.334 114.554 -0.355 0.000 2.857 196 T HA 0.115 4.480 4.350 0.024 0.000 0.266 196 T C 1.809 176.504 174.700 -0.008 0.000 1.048 196 T CA 1.529 63.415 62.100 -0.357 0.000 1.139 196 T CB -1.278 67.375 68.868 -0.359 0.000 0.874 196 T HN 0.182 nan 8.240 nan 0.000 0.455 197 G N 1.228 110.102 108.800 0.123 0.000 2.205 197 G HA2 -0.185 3.789 3.960 0.024 0.000 0.261 197 G HA3 -0.185 3.789 3.960 0.024 0.000 0.261 197 G C 0.049 175.067 174.900 0.197 0.000 0.980 197 G CA 0.109 45.302 45.100 0.155 0.000 0.632 197 G HN 0.593 nan 8.290 nan 0.000 0.533 198 I N 1.657 122.357 120.570 0.216 0.000 2.395 198 I HA 0.497 4.681 4.170 0.024 0.000 0.289 198 I C -0.336 175.922 176.117 0.235 0.000 1.023 198 I CA -0.622 60.802 61.300 0.207 0.000 1.350 198 I CB 1.179 39.300 38.000 0.201 0.000 1.409 198 I HN -0.020 nan 8.210 nan 0.000 0.507 199 D N 6.811 127.320 120.400 0.181 0.000 2.490 199 D HA 0.522 5.176 4.640 0.024 0.000 0.232 199 D C -2.426 173.871 176.300 -0.006 0.000 1.053 199 D CA -1.222 52.892 54.000 0.190 0.000 0.914 199 D CB 1.974 42.957 40.800 0.305 0.000 1.431 199 D HN 0.186 nan 8.370 nan 0.000 0.483 200 P HA 0.180 nan 4.420 nan 0.000 0.274 200 P C 0.076 177.212 177.300 -0.273 0.000 1.231 200 P CA -0.356 62.452 63.100 -0.486 0.000 0.790 200 P CB 0.469 31.546 31.700 -1.037 0.000 0.951 201 T N -0.424 114.012 114.554 -0.196 0.000 2.732 201 T HA 0.068 4.432 4.350 0.024 0.000 0.287 201 T C 1.075 175.867 174.700 0.154 0.000 0.993 201 T CA -0.469 61.633 62.100 0.003 0.000 0.966 201 T CB 0.108 68.949 68.868 -0.046 0.000 1.047 201 T HN 0.150 nan 8.240 nan 0.000 0.527 202 L N 0.622 121.975 121.223 0.217 0.000 2.083 202 L HA 0.002 4.356 4.340 0.024 0.000 0.209 202 L C 2.623 179.619 176.870 0.210 0.000 1.083 202 L CA 1.676 56.685 54.840 0.282 0.000 0.752 202 L CB -1.145 41.024 42.059 0.183 0.000 0.899 202 L HN 0.714 nan 8.230 nan 0.000 0.433 203 E N -0.439 119.818 120.200 0.095 0.000 2.031 203 E HA -0.275 4.089 4.350 0.024 0.000 0.193 203 E C 2.086 178.706 176.600 0.033 0.000 0.994 203 E CA 1.655 58.085 56.400 0.050 0.000 0.800 203 E CB -0.405 29.290 29.700 -0.007 0.000 0.752 203 E HN 0.674 nan 8.360 nan 0.000 0.447 204 Q N -0.349 119.380 119.800 -0.119 0.000 2.170 204 Q HA -0.158 4.196 4.340 0.024 0.000 0.203 204 Q C 2.029 178.069 176.000 0.067 0.000 0.976 204 Q CA 1.278 56.901 55.803 -0.300 0.000 0.858 204 Q CB -0.252 27.971 28.738 -0.858 0.000 0.907 204 Q HN 0.392 nan 8.270 nan 0.000 0.433 205 W N 0.903 122.270 121.300 0.110 0.000 2.388 205 W HA -0.155 4.519 4.660 0.024 0.000 0.294 205 W C 2.326 178.974 176.519 0.215 0.000 1.212 205 W CA 0.611 58.095 57.345 0.232 0.000 1.271 205 W CB 0.182 29.775 29.460 0.222 0.000 1.126 205 W HN 0.201 nan 8.180 nan 0.000 0.535 206 Q N -0.682 119.330 119.800 0.353 0.000 2.079 206 Q HA -0.150 4.205 4.340 0.024 0.000 0.200 206 Q C 2.087 178.161 176.000 0.123 0.000 0.974 206 Q CA 2.123 58.035 55.803 0.181 0.000 0.840 206 Q CB -0.465 28.348 28.738 0.125 0.000 0.898 206 Q HN 0.125 nan 8.270 nan 0.000 0.430 207 T N 1.031 115.691 114.554 0.177 0.000 2.652 207 T HA -0.144 4.220 4.350 0.024 0.000 0.267 207 T C 1.568 176.375 174.700 0.178 0.000 1.039 207 T CA 0.880 63.088 62.100 0.180 0.000 1.153 207 T CB -0.205 68.844 68.868 0.301 0.000 0.863 207 T HN 0.072 nan 8.240 nan 0.000 0.428 208 L N 1.160 122.566 121.223 0.306 0.000 2.127 208 L HA -0.000 4.354 4.340 0.024 0.000 0.211 208 L C 2.714 179.632 176.870 0.079 0.000 1.089 208 L CA 1.437 56.480 54.840 0.339 0.000 0.757 208 L CB -1.503 40.871 42.059 0.526 0.000 0.899 208 L HN 0.262 nan 8.230 nan 0.000 0.434 209 A N -1.582 121.083 122.820 -0.259 0.000 1.873 209 A HA -0.196 4.138 4.320 0.024 0.000 0.215 209 A C 2.181 179.591 177.584 -0.290 0.000 1.186 209 A CA 1.166 52.758 52.037 -0.742 0.000 0.616 209 A CB -0.328 18.310 19.000 -0.603 0.000 0.823 209 A HN 0.421 nan 8.150 nan 0.000 0.442 210 Q N -0.830 118.874 119.800 -0.160 0.000 1.993 210 Q HA -0.170 4.185 4.340 0.024 0.000 0.202 210 Q C 2.180 178.077 176.000 -0.172 0.000 0.984 210 Q CA 1.500 57.218 55.803 -0.141 0.000 0.837 210 Q CB -0.760 27.930 28.738 -0.079 0.000 0.902 210 Q HN 0.548 nan 8.270 nan 0.000 0.423 211 L N 0.806 121.948 121.223 -0.135 0.000 2.013 211 L HA -0.217 4.138 4.340 0.024 0.000 0.212 211 L C 2.547 179.128 176.870 -0.480 0.000 1.073 211 L CA 2.109 56.805 54.840 -0.240 0.000 0.753 211 L CB -0.929 41.067 42.059 -0.105 0.000 0.890 211 L HN 0.167 nan 8.230 nan 0.000 0.432 212 S N -1.613 113.940 115.700 -0.246 0.000 2.370 212 S HA -0.175 4.310 4.470 0.024 0.000 0.226 212 S C 1.947 176.425 174.600 -0.203 0.000 1.033 212 S CA 1.582 59.712 58.200 -0.117 0.000 1.011 212 S CB -0.339 63.187 63.200 0.544 0.000 0.852 212 S HN 0.301 nan 8.310 nan 0.000 0.457 213 V N 1.494 121.250 119.914 -0.263 0.000 2.453 213 V HA -0.083 4.051 4.120 0.024 0.000 0.247 213 V C 2.381 178.304 176.094 -0.285 0.000 1.048 213 V CA 1.879 63.970 62.300 -0.349 0.000 1.049 213 V CB -0.641 30.937 31.823 -0.409 0.000 0.672 213 V HN 0.534 nan 8.190 nan 0.000 0.457 214 E N -0.135 119.881 120.200 -0.307 0.000 2.107 214 E HA -0.127 4.237 4.350 0.024 0.000 0.191 214 E C 2.009 178.417 176.600 -0.321 0.000 0.982 214 E CA 0.683 56.921 56.400 -0.270 0.000 0.809 214 E CB -0.046 29.508 29.700 -0.244 0.000 0.756 214 E HN 0.428 nan 8.360 nan 0.000 0.459 215 K N -0.313 119.761 120.400 -0.543 0.000 2.418 215 K HA 0.050 4.385 4.320 0.024 0.000 0.195 215 K C 1.042 177.367 176.600 -0.457 0.000 1.035 215 K CA 0.743 56.649 56.287 -0.635 0.000 1.003 215 K CB 0.534 32.275 32.500 -1.265 0.000 0.793 215 K HN 0.256 nan 8.250 nan 0.000 0.494 216 G N 1.906 110.510 108.800 -0.327 0.000 2.225 216 G HA2 -0.176 3.798 3.960 0.024 0.000 0.264 216 G HA3 -0.176 3.798 3.960 0.024 0.000 0.264 216 G C -0.475 174.506 174.900 0.135 0.000 1.060 216 G CA -0.191 44.869 45.100 -0.067 0.000 0.833 216 G HN 0.090 nan 8.290 nan 0.000 0.498 217 W N -0.736 120.642 121.300 0.130 0.000 2.303 217 W HA 0.659 5.333 4.660 0.023 0.000 0.334 217 W C 0.538 177.195 176.519 0.230 0.000 1.197 217 W CA -1.569 55.865 57.345 0.149 0.000 1.262 217 W CB 0.677 30.223 29.460 0.143 0.000 1.153 217 W HN 0.076 nan 8.180 nan 0.000 0.596 218 L N 5.287 126.766 121.223 0.428 0.000 2.264 218 L HA 0.322 4.676 4.340 0.024 0.000 0.287 218 L C -2.165 174.900 176.870 0.325 0.000 1.039 218 L CA -1.709 53.335 54.840 0.340 0.000 0.829 218 L CB 1.158 43.367 42.059 0.251 0.000 1.211 218 L HN -0.060 nan 8.230 nan 0.000 0.427 219 P HA 0.111 nan 4.420 nan 0.000 0.271 219 P C -1.044 176.442 177.300 0.310 0.000 1.220 219 P CA -0.311 63.017 63.100 0.381 0.000 0.768 219 P CB 0.735 32.661 31.700 0.376 0.000 0.848 220 L N 5.784 127.152 121.223 0.242 0.000 2.415 220 L HA 0.494 4.848 4.340 0.024 0.000 0.268 220 L C -1.586 175.389 176.870 0.175 0.000 0.984 220 L CA -0.830 54.139 54.840 0.216 0.000 0.853 220 L CB -0.257 41.882 42.059 0.133 0.000 1.215 220 L HN 0.166 nan 8.230 nan 0.000 0.419 221 F N 3.097 123.096 119.950 0.082 0.000 2.404 221 F HA 0.346 4.886 4.527 0.023 0.000 0.345 221 F C 0.687 176.505 175.800 0.031 0.000 1.110 221 F CA -0.144 57.868 58.000 0.021 0.000 1.130 221 F CB 1.124 40.043 39.000 -0.135 0.000 1.129 221 F HN 0.418 nan 8.300 nan 0.000 0.500 222 D N 3.829 124.312 120.400 0.138 0.000 2.329 222 D HA 0.184 4.838 4.640 0.024 0.000 0.232 222 D C -1.463 174.936 176.300 0.165 0.000 1.088 222 D CA -0.186 53.886 54.000 0.120 0.000 0.835 222 D CB 0.414 41.234 40.800 0.033 0.000 1.078 222 D HN 0.142 nan 8.370 nan 0.000 0.495 223 F N 3.099 123.084 119.950 0.058 0.000 2.443 223 F HA 0.486 5.029 4.527 0.025 0.000 0.369 223 F C 0.478 176.216 175.800 -0.104 0.000 1.090 223 F CA -1.262 56.756 58.000 0.029 0.000 1.129 223 F CB 1.210 40.206 39.000 -0.007 0.000 1.367 223 F HN 0.484 nan 8.300 nan 0.000 0.465 224 A N 3.488 126.354 122.820 0.077 0.000 2.431 224 A HA 0.218 4.552 4.320 0.024 0.000 0.239 224 A C -0.334 176.898 177.584 -0.586 0.000 1.230 224 A CA 0.252 52.067 52.037 -0.370 0.000 0.928 224 A CB -0.135 18.479 19.000 -0.644 0.000 1.006 224 A HN 0.505 nan 8.150 nan 0.000 0.520 225 Y N 0.120 120.530 120.300 0.184 0.000 2.666 225 Y HA 0.318 4.883 4.550 0.024 0.000 0.264 225 Y C 0.485 176.540 175.900 0.259 0.000 1.054 225 Y CA -0.790 57.459 58.100 0.248 0.000 1.121 225 Y CB 0.003 38.573 38.460 0.183 0.000 1.190 225 Y HN 0.347 nan 8.280 nan 0.000 0.587 226 Q N 0.911 120.729 119.800 0.030 0.000 2.271 226 Q HA 0.377 4.731 4.340 0.024 0.000 0.273 226 Q C 1.064 177.044 176.000 -0.033 0.000 1.051 226 Q CA 1.355 57.028 55.803 -0.216 0.000 0.901 226 Q CB 0.397 28.704 28.738 -0.718 0.000 1.174 226 Q HN 0.836 nan 8.270 nan 0.000 0.385 227 G N 3.339 112.125 108.800 -0.023 0.000 2.253 227 G HA2 -0.250 3.724 3.960 0.024 0.000 0.209 227 G HA3 -0.250 3.724 3.960 0.024 0.000 0.209 227 G C 0.174 174.943 174.900 -0.219 0.000 0.997 227 G CA -0.027 44.969 45.100 -0.174 0.000 0.640 227 G HN 0.652 nan 8.290 nan 0.000 0.496 228 F N 1.588 121.558 119.950 0.033 0.000 2.789 228 F HA 0.581 5.121 4.527 0.022 0.000 0.300 228 F C 2.403 178.223 175.800 0.034 0.000 1.132 228 F CA 1.276 59.292 58.000 0.027 0.000 1.404 228 F CB 0.348 39.384 39.000 0.060 0.000 1.114 228 F HN 0.384 nan 8.300 nan 0.000 0.584 229 A N 0.179 123.130 122.820 0.219 0.000 1.941 229 A HA 0.205 4.539 4.320 0.024 0.000 0.214 229 A C 2.038 179.688 177.584 0.111 0.000 1.368 229 A CA 0.591 52.733 52.037 0.175 0.000 0.651 229 A CB 0.016 19.146 19.000 0.217 0.000 1.064 229 A HN 0.227 nan 8.150 nan 0.000 0.492 230 R N -2.320 118.234 120.500 0.091 0.000 2.437 230 R HA 0.425 4.779 4.340 0.024 0.000 0.184 230 R C 0.638 176.938 176.300 0.001 0.000 0.850 230 R CA 0.659 56.789 56.100 0.050 0.000 1.073 230 R CB 1.088 31.431 30.300 0.071 0.000 1.336 230 R HN 0.621 nan 8.270 nan 0.000 0.640 234 E N 0.716 120.901 120.200 -0.026 0.000 2.072 234 E HA -0.153 4.211 4.350 0.024 0.000 0.191 234 E C 1.625 178.238 176.600 0.022 0.000 0.985 234 E CA 1.444 57.841 56.400 -0.005 0.000 0.801 234 E CB 0.221 29.919 29.700 -0.004 0.000 0.750 234 E HN 0.476 nan 8.360 nan 0.000 0.452 235 E N 1.114 121.332 120.200 0.030 0.000 2.077 235 E HA -0.152 4.212 4.350 0.024 0.000 0.193 235 E C 1.605 178.269 176.600 0.107 0.000 0.989 235 E CA 1.226 57.663 56.400 0.061 0.000 0.800 235 E CB -0.149 29.586 29.700 0.059 0.000 0.746 235 E HN 0.159 nan 8.360 nan 0.000 0.452 236 D N -0.324 120.153 120.400 0.129 0.000 2.309 236 D HA -0.073 4.581 4.640 0.024 0.000 0.212 236 D C 1.086 177.610 176.300 0.373 0.000 0.968 236 D CA 1.094 55.244 54.000 0.250 0.000 0.882 236 D CB -0.056 40.887 40.800 0.238 0.000 0.918 236 D HN 0.217 nan 8.370 nan 0.000 0.503 237 A N 0.039 122.988 122.820 0.216 0.000 2.308 237 A HA 0.069 4.403 4.320 0.024 0.000 0.217 237 A C 1.759 179.340 177.584 -0.006 0.000 1.216 237 A CA -0.111 52.046 52.037 0.200 0.000 0.864 237 A CB -0.042 19.016 19.000 0.097 0.000 0.902 237 A HN 0.042 nan 8.150 nan 0.000 0.499 238 E N 0.146 120.340 120.200 -0.009 0.000 2.070 238 E HA -0.195 4.169 4.350 0.024 0.000 0.197 238 E C 2.113 178.599 176.600 -0.190 0.000 1.004 238 E CA 1.234 57.607 56.400 -0.045 0.000 0.805 238 E CB -0.233 29.488 29.700 0.035 0.000 0.744 238 E HN 0.614 nan 8.360 nan 0.000 0.451 239 G N 1.392 109.883 108.800 -0.517 0.000 2.433 239 G HA2 -0.266 3.708 3.960 0.024 0.000 0.216 239 G HA3 -0.266 3.708 3.960 0.024 0.000 0.216 239 G C 1.560 176.028 174.900 -0.721 0.000 1.186 239 G CA 0.796 45.240 45.100 -1.093 0.000 0.779 239 G HN 0.190 nan 8.290 nan 0.000 0.543 240 L N 0.658 121.346 121.223 -0.892 0.000 2.012 240 L HA 0.000 4.355 4.340 0.024 0.000 0.210 240 L C 2.824 179.483 176.870 -0.350 0.000 1.073 240 L CA 1.868 56.076 54.840 -1.054 0.000 0.748 240 L CB -0.538 40.915 42.059 -1.011 0.000 0.891 240 L HN 0.146 nan 8.230 nan 0.000 0.431 241 R N -0.505 119.899 120.500 -0.161 0.000 2.120 241 R HA -0.080 4.274 4.340 0.024 0.000 0.234 241 R C 2.238 178.559 176.300 0.034 0.000 1.123 241 R CA 1.100 57.205 56.100 0.009 0.000 0.975 241 R CB -0.572 29.746 30.300 0.029 0.000 0.866 241 R HN 0.572 nan 8.270 nan 0.000 0.446 242 A N 0.264 123.106 122.820 0.037 0.000 1.930 242 A HA -0.114 4.221 4.320 0.024 0.000 0.217 242 A C 1.757 179.430 177.584 0.149 0.000 1.175 242 A CA 0.989 53.085 52.037 0.099 0.000 0.627 242 A CB -0.390 18.696 19.000 0.144 0.000 0.815 242 A HN 0.177 nan 8.150 nan 0.000 0.443 243 F N 0.113 120.052 119.950 -0.019 0.000 2.163 243 F HA 0.014 4.555 4.527 0.024 0.000 0.297 243 F C 2.727 178.594 175.800 0.112 0.000 1.094 243 F CA 0.912 58.962 58.000 0.082 0.000 1.290 243 F CB -0.460 38.523 39.000 -0.028 0.000 1.017 243 F HN 0.239 nan 8.300 nan 0.000 0.483 244 A N -0.394 122.538 122.820 0.186 0.000 2.070 244 A HA 0.018 4.353 4.320 0.024 0.000 0.220 244 A C 2.288 179.890 177.584 0.030 0.000 1.159 244 A CA 1.420 53.501 52.037 0.073 0.000 0.656 244 A CB -1.098 17.892 19.000 -0.017 0.000 0.800 244 A HN 0.291 nan 8.150 nan 0.000 0.453 245 A N -0.928 121.920 122.820 0.046 0.000 2.016 245 A HA 0.106 4.440 4.320 0.024 0.000 0.217 245 A C 2.111 179.700 177.584 0.008 0.000 1.162 245 A CA 1.424 53.468 52.037 0.012 0.000 0.662 245 A CB -0.301 18.707 19.000 0.014 0.000 0.812 245 A HN 0.509 nan 8.150 nan 0.000 0.450 246 M N -1.422 118.200 119.600 0.037 0.000 2.615 246 M HA 0.155 4.649 4.480 0.024 0.000 0.262 246 M C 0.115 176.370 176.300 -0.075 0.000 1.198 246 M CA 0.274 55.552 55.300 -0.036 0.000 1.165 246 M CB -0.031 32.510 32.600 -0.097 0.000 1.310 246 M HN 0.315 nan 8.290 nan 0.000 0.494 247 H N 0.993 120.067 119.070 0.006 0.000 2.511 247 H HA 0.219 4.789 4.556 0.024 0.000 0.346 247 H C 0.379 175.724 175.328 0.029 0.000 1.128 247 H CA 0.048 56.124 56.048 0.045 0.000 1.342 247 H CB 1.682 31.528 29.762 0.140 0.000 1.470 247 H HN 0.057 nan 8.280 nan 0.000 0.546 248 K N 1.327 121.803 120.400 0.128 0.000 2.284 248 K HA 0.066 4.400 4.320 0.024 0.000 0.198 248 K C -0.068 176.601 176.600 0.115 0.000 1.048 248 K CA 0.717 57.051 56.287 0.080 0.000 0.987 248 K CB 0.608 33.137 32.500 0.048 0.000 0.800 248 K HN 0.653 nan 8.250 nan 0.000 0.486 249 E N 0.904 121.218 120.200 0.191 0.000 2.292 249 E HA 0.493 4.857 4.350 0.024 0.000 0.272 249 E C -1.010 175.734 176.600 0.240 0.000 0.881 249 E CA -0.627 55.889 56.400 0.194 0.000 0.754 249 E CB 2.258 32.073 29.700 0.193 0.000 1.201 249 E HN 0.014 nan 8.360 nan 0.000 0.425 250 L N -0.954 120.392 121.223 0.205 0.000 2.710 250 L HA 0.674 5.028 4.340 0.024 0.000 0.260 250 L C -1.652 175.348 176.870 0.216 0.000 0.993 250 L CA -0.990 53.982 54.840 0.220 0.000 0.877 250 L CB 1.425 43.605 42.059 0.202 0.000 1.461 250 L HN 0.505 nan 8.230 nan 0.000 0.413 251 I N 1.836 122.549 120.570 0.239 0.000 2.608 251 I HA 0.743 4.927 4.170 0.024 0.000 0.295 251 I C -1.112 175.146 176.117 0.236 0.000 1.049 251 I CA -1.154 60.279 61.300 0.222 0.000 1.063 251 I CB 2.341 40.482 38.000 0.235 0.000 1.248 251 I HN 0.533 nan 8.210 nan 0.000 0.424 252 V N 5.194 125.226 119.914 0.198 0.000 2.623 252 V HA 0.847 4.981 4.120 0.024 0.000 0.304 252 V C -0.897 175.286 176.094 0.148 0.000 1.054 252 V CA -0.185 62.227 62.300 0.186 0.000 0.882 252 V CB 1.731 33.629 31.823 0.125 0.000 1.002 252 V HN 0.813 nan 8.190 nan 0.000 0.424 253 A N 5.286 128.203 122.820 0.162 0.000 2.256 253 A HA 0.871 5.205 4.320 0.024 0.000 0.317 253 A C 0.111 177.751 177.584 0.092 0.000 1.318 253 A CA 0.085 52.197 52.037 0.126 0.000 0.894 253 A CB 0.851 19.941 19.000 0.151 0.000 1.165 253 A HN 1.616 nan 8.150 nan 0.000 0.525 254 S N 1.546 117.251 115.700 0.008 0.000 2.648 254 S HA 0.859 5.343 4.470 0.024 0.000 0.305 254 S C -0.155 174.325 174.600 -0.200 0.000 1.094 254 S CA -0.490 57.649 58.200 -0.101 0.000 0.983 254 S CB 1.799 64.854 63.200 -0.242 0.000 1.101 254 S HN 1.091 nan 8.310 nan 0.000 0.514 255 S N -0.153 115.365 115.700 -0.304 0.000 2.548 255 S HA 0.638 5.122 4.470 0.024 0.000 0.286 255 S C -1.579 172.810 174.600 -0.352 0.000 1.098 255 S CA -0.569 57.471 58.200 -0.267 0.000 0.930 255 S CB 0.868 63.944 63.200 -0.206 0.000 1.070 255 S HN 0.704 nan 8.310 nan 0.000 0.480 256 Y N 1.800 122.077 120.300 -0.038 0.000 2.660 256 Y HA 0.327 4.893 4.550 0.028 0.000 0.254 256 Y C 1.945 177.837 175.900 -0.013 0.000 1.176 256 Y CA -0.259 57.844 58.100 0.004 0.000 1.195 256 Y CB 0.306 38.682 38.460 -0.140 0.000 1.190 256 Y HN 0.566 nan 8.280 nan 0.000 0.535 257 S N 0.007 115.717 115.700 0.018 0.000 2.371 257 S HA -0.130 4.354 4.470 0.024 0.000 0.224 257 S C 1.778 176.144 174.600 -0.390 0.000 1.029 257 S CA 1.450 59.558 58.200 -0.152 0.000 0.978 257 S CB 0.107 63.273 63.200 -0.057 0.000 0.833 257 S HN 0.318 nan 8.310 nan 0.000 0.466 258 K N 2.208 122.542 120.400 -0.110 0.000 2.078 258 K HA 0.107 4.441 4.320 0.024 0.000 0.203 258 K C 1.674 178.463 176.600 0.315 0.000 1.043 258 K CA 1.118 57.439 56.287 0.057 0.000 0.960 258 K CB -0.419 32.142 32.500 0.102 0.000 0.761 258 K HN 0.552 nan 8.250 nan 0.000 0.448 259 N N -0.420 118.534 118.700 0.423 0.000 2.573 259 N HA -0.109 4.645 4.740 0.024 0.000 0.187 259 N C 0.539 176.187 175.510 0.231 0.000 1.107 259 N CA 0.735 53.960 53.050 0.292 0.000 0.918 259 N CB 0.028 38.668 38.487 0.255 0.000 0.966 259 N HN 0.084 nan 8.380 nan 0.000 0.448 260 F N -0.291 119.752 119.950 0.154 0.000 2.798 260 F HA 0.359 4.897 4.527 0.018 0.000 0.328 260 F C 1.421 177.196 175.800 -0.043 0.000 1.098 260 F CA -0.109 57.940 58.000 0.081 0.000 1.172 260 F CB 0.918 39.874 39.000 -0.074 0.000 1.072 260 F HN 0.078 nan 8.300 nan 0.000 0.555 261 G N 1.563 110.336 108.800 -0.045 0.000 2.283 261 G HA2 -0.317 3.657 3.960 0.024 0.000 0.280 261 G HA3 -0.317 3.657 3.960 0.024 0.000 0.280 261 G C 0.573 175.337 174.900 -0.227 0.000 1.029 261 G CA 0.466 45.419 45.100 -0.245 0.000 0.840 261 G HN 0.421 nan 8.290 nan 0.000 0.505 262 L N -0.444 120.637 121.223 -0.237 0.000 2.848 262 L HA 0.266 4.620 4.340 0.024 0.000 0.240 262 L C 2.165 179.003 176.870 -0.053 0.000 1.232 262 L CA -0.787 54.008 54.840 -0.074 0.000 1.031 262 L CB -0.352 41.693 42.059 -0.024 0.000 1.338 262 L HN 0.314 nan 8.230 nan 0.000 0.509 263 Y N 0.926 121.279 120.300 0.087 0.000 2.003 263 Y HA -0.408 4.155 4.550 0.022 0.000 0.261 263 Y C 2.416 178.337 175.900 0.034 0.000 1.211 263 Y CA 2.116 60.249 58.100 0.054 0.000 1.098 263 Y CB -0.897 37.595 38.460 0.053 0.000 0.925 263 Y HN 0.552 nan 8.280 nan 0.000 0.498 264 N N -0.208 118.619 118.700 0.212 0.000 2.521 264 N HA -0.086 4.668 4.740 0.024 0.000 0.188 264 N C 0.727 176.272 175.510 0.060 0.000 1.146 264 N CA 0.857 53.974 53.050 0.112 0.000 0.893 264 N CB -0.334 38.208 38.487 0.091 0.000 0.975 264 N HN 0.417 nan 8.380 nan 0.000 0.451 265 E N 0.516 120.748 120.200 0.053 0.000 2.452 265 E HA 0.066 4.430 4.350 0.024 0.000 0.197 265 E C -0.262 176.330 176.600 -0.013 0.000 1.022 265 E CA -0.034 56.380 56.400 0.025 0.000 0.890 265 E CB 0.165 29.894 29.700 0.048 0.000 0.918 265 E HN 0.163 nan 8.360 nan 0.000 0.496 266 R N -0.082 120.415 120.500 -0.006 0.000 2.873 266 R HA -0.109 4.245 4.340 0.024 0.000 0.281 266 R C -0.841 175.426 176.300 -0.055 0.000 0.933 266 R CA 0.196 56.279 56.100 -0.029 0.000 0.712 266 R CB -3.048 27.218 30.300 -0.058 0.000 1.780 266 R HN -0.078 nan 8.270 nan 0.000 0.488 267 V N 0.584 120.487 119.914 -0.019 0.000 2.378 267 V HA 0.901 5.035 4.120 0.024 0.000 0.288 267 V C 1.087 177.269 176.094 0.147 0.000 1.016 267 V CA -0.003 62.302 62.300 0.008 0.000 0.840 267 V CB 2.120 33.936 31.823 -0.012 0.000 0.994 267 V HN 0.741 nan 8.190 nan 0.000 0.431 268 G N 2.762 111.664 108.800 0.169 0.000 2.721 268 G HA2 0.920 4.894 3.960 0.024 0.000 0.296 268 G HA3 0.920 4.894 3.960 0.024 0.000 0.296 268 G C -1.453 173.613 174.900 0.277 0.000 1.383 268 G CA -0.205 44.995 45.100 0.166 0.000 0.788 268 G HN 1.156 nan 8.290 nan 0.000 0.500 269 A N -1.587 121.334 122.820 0.167 0.000 2.574 269 A HA 0.622 4.956 4.320 0.024 0.000 0.297 269 A C -1.217 176.443 177.584 0.126 0.000 1.062 269 A CA -0.368 51.792 52.037 0.205 0.000 0.686 269 A CB 1.482 20.575 19.000 0.156 0.000 1.285 269 A HN 1.732 nan 8.150 nan 0.000 0.403 270 C N 2.280 121.675 119.300 0.159 0.000 2.335 270 C HA 0.734 5.208 4.460 0.024 0.000 0.318 270 C C 0.100 175.171 174.990 0.136 0.000 1.150 270 C CA -0.005 59.099 59.018 0.144 0.000 1.466 270 C CB -0.787 27.047 27.740 0.158 0.000 2.024 270 C HN 0.795 nan 8.230 nan 0.000 0.429 271 T N 6.306 120.921 114.554 0.102 0.000 2.767 271 T HA 0.467 4.831 4.350 0.024 0.000 0.288 271 T C -0.510 174.256 174.700 0.110 0.000 0.963 271 T CA -0.150 62.003 62.100 0.089 0.000 1.019 271 T CB 1.077 69.996 68.868 0.084 0.000 0.923 271 T HN 0.579 nan 8.240 nan 0.000 0.468 272 L N 5.106 126.366 121.223 0.062 0.000 2.307 272 L HA 0.693 5.047 4.340 0.024 0.000 0.284 272 L C -0.979 175.920 176.870 0.049 0.000 1.023 272 L CA -0.441 54.434 54.840 0.057 0.000 0.810 272 L CB 1.410 43.481 42.059 0.021 0.000 1.231 272 L HN 0.421 nan 8.230 nan 0.000 0.423 273 V N 4.694 124.657 119.914 0.081 0.000 2.540 273 V HA 0.929 5.063 4.120 0.024 0.000 0.302 273 V C -0.047 176.086 176.094 0.064 0.000 1.035 273 V CA -0.237 62.086 62.300 0.038 0.000 0.873 273 V CB 1.233 33.064 31.823 0.012 0.000 0.992 273 V HN 0.970 nan 8.190 nan 0.000 0.428 274 A N 3.149 125.992 122.820 0.038 0.000 2.437 274 A HA 0.906 5.240 4.320 0.024 0.000 0.292 274 A C 1.086 178.690 177.584 0.033 0.000 1.173 274 A CA 0.041 52.115 52.037 0.061 0.000 0.785 274 A CB 1.377 20.422 19.000 0.075 0.000 1.351 274 A HN 1.217 nan 8.150 nan 0.000 0.431 275 A N -0.229 122.616 122.820 0.042 0.000 2.024 275 A HA 0.165 4.499 4.320 0.024 0.000 0.220 275 A C 0.611 178.199 177.584 0.007 0.000 1.164 275 A CA 1.982 54.033 52.037 0.023 0.000 0.643 275 A CB -0.651 18.366 19.000 0.029 0.000 0.806 275 A HN 0.960 nan 8.150 nan 0.000 0.451 276 D N -3.550 116.857 120.400 0.012 0.000 2.639 276 D HA 0.181 4.835 4.640 0.024 0.000 0.271 276 D C 0.686 176.989 176.300 0.006 0.000 1.254 276 D CA 0.200 54.202 54.000 0.003 0.000 0.810 276 D CB 0.460 41.264 40.800 0.007 0.000 1.351 276 D HN 0.119 nan 8.370 nan 0.000 0.427 277 S N -0.146 115.553 115.700 -0.001 0.000 2.353 277 S HA -0.273 4.211 4.470 0.024 0.000 0.222 277 S C 1.513 176.124 174.600 0.018 0.000 1.035 277 S CA 1.469 59.669 58.200 -0.000 0.000 1.025 277 S CB -0.503 62.694 63.200 -0.005 0.000 0.902 277 S HN 0.588 nan 8.310 nan 0.000 0.440 278 E N 1.339 121.553 120.200 0.022 0.000 2.070 278 E HA -0.176 4.188 4.350 0.024 0.000 0.197 278 E C 2.088 178.717 176.600 0.048 0.000 1.004 278 E CA 2.077 58.497 56.400 0.033 0.000 0.805 278 E CB -0.730 28.986 29.700 0.027 0.000 0.744 278 E HN 0.696 nan 8.360 nan 0.000 0.451 279 T N 0.799 115.382 114.554 0.048 0.000 2.701 279 T HA -0.120 4.244 4.350 0.024 0.000 0.263 279 T C 1.963 176.716 174.700 0.088 0.000 1.040 279 T CA 1.279 63.419 62.100 0.067 0.000 1.147 279 T CB -0.588 68.319 68.868 0.064 0.000 0.865 279 T HN 0.067 nan 8.240 nan 0.000 0.426 280 V N 2.058 122.014 119.914 0.071 0.000 2.453 280 V HA -0.230 3.904 4.120 0.024 0.000 0.252 280 V C 1.916 178.077 176.094 0.112 0.000 1.068 280 V CA 2.111 64.457 62.300 0.076 0.000 1.070 280 V CB -0.655 31.179 31.823 0.018 0.000 0.664 280 V HN 0.408 nan 8.190 nan 0.000 0.461 281 D N -0.557 119.900 120.400 0.096 0.000 2.117 281 D HA -0.128 4.526 4.640 0.024 0.000 0.198 281 D C 2.407 178.802 176.300 0.159 0.000 0.982 281 D CA 1.244 55.323 54.000 0.131 0.000 0.828 281 D CB -0.237 40.614 40.800 0.086 0.000 0.967 281 D HN 0.382 nan 8.370 nan 0.000 0.464 282 R N 0.200 120.776 120.500 0.127 0.000 2.075 282 R HA 0.048 4.402 4.340 0.024 0.000 0.232 282 R C 2.169 178.565 176.300 0.159 0.000 1.126 282 R CA 1.161 57.333 56.100 0.120 0.000 0.963 282 R CB -0.145 30.213 30.300 0.098 0.000 0.858 282 R HN 0.117 nan 8.270 nan 0.000 0.435 283 A N 0.285 123.224 122.820 0.198 0.000 1.873 283 A HA -0.180 4.155 4.320 0.024 0.000 0.215 283 A C 1.911 179.640 177.584 0.242 0.000 1.186 283 A CA 1.033 53.242 52.037 0.287 0.000 0.616 283 A CB -0.641 18.539 19.000 0.300 0.000 0.823 283 A HN 0.354 nan 8.150 nan 0.000 0.442 284 F N 1.999 121.958 119.950 0.015 0.000 2.216 284 F HA -0.171 4.369 4.527 0.022 0.000 0.300 284 F C 2.742 178.542 175.800 -0.001 0.000 1.085 284 F CA 1.548 59.519 58.000 -0.049 0.000 1.326 284 F CB -0.284 38.696 39.000 -0.033 0.000 1.027 284 F HN 0.337 nan 8.300 nan 0.000 0.497 285 S N -0.822 114.900 115.700 0.037 0.000 2.419 285 S HA -0.200 4.284 4.470 0.024 0.000 0.233 285 S C 1.866 176.429 174.600 -0.061 0.000 1.016 285 S CA 0.961 59.136 58.200 -0.042 0.000 0.974 285 S CB -0.487 62.735 63.200 0.037 0.000 0.786 285 S HN 0.453 nan 8.310 nan 0.000 0.492 286 Q N 0.459 120.282 119.800 0.037 0.000 2.187 286 Q HA 0.167 4.521 4.340 0.024 0.000 0.199 286 Q C 2.103 178.159 176.000 0.093 0.000 0.957 286 Q CA 1.038 56.904 55.803 0.105 0.000 0.857 286 Q CB -0.406 28.471 28.738 0.233 0.000 0.929 286 Q HN 0.716 nan 8.270 nan 0.000 0.453 287 M N 0.665 120.246 119.600 -0.032 0.000 2.117 287 M HA -0.186 4.308 4.480 0.024 0.000 0.262 287 M C 1.606 177.740 176.300 -0.277 0.000 1.065 287 M CA 1.563 56.748 55.300 -0.192 0.000 1.114 287 M CB 0.095 32.392 32.600 -0.505 0.000 1.361 287 M HN -0.041 nan 8.290 nan 0.000 0.408 288 K N 0.007 120.142 120.400 -0.443 0.000 2.283 288 K HA -0.055 4.279 4.320 0.024 0.000 0.202 288 K C 1.854 178.330 176.600 -0.207 0.000 1.048 288 K CA 1.115 57.181 56.287 -0.368 0.000 0.948 288 K CB -0.195 32.067 32.500 -0.397 0.000 0.742 288 K HN 0.432 nan 8.250 nan 0.000 0.458 289 A N 1.290 124.028 122.820 -0.137 0.000 1.929 289 A HA -0.012 4.322 4.320 0.024 0.000 0.216 289 A C 2.328 179.866 177.584 -0.077 0.000 1.176 289 A CA 1.501 53.487 52.037 -0.084 0.000 0.628 289 A CB -0.479 18.500 19.000 -0.036 0.000 0.816 289 A HN 0.293 nan 8.150 nan 0.000 0.444 290 A N 0.007 122.796 122.820 -0.052 0.000 1.930 290 A HA -0.021 4.313 4.320 0.024 0.000 0.217 290 A C 2.081 179.595 177.584 -0.118 0.000 1.175 290 A CA 1.394 53.410 52.037 -0.034 0.000 0.627 290 A CB -0.544 18.488 19.000 0.052 0.000 0.815 290 A HN 0.478 nan 8.150 nan 0.000 0.443 291 I N -1.008 119.444 120.570 -0.197 0.000 2.202 291 I HA -0.226 3.959 4.170 0.024 0.000 0.242 291 I C 2.631 178.485 176.117 -0.439 0.000 1.091 291 I CA 1.637 62.697 61.300 -0.401 0.000 1.368 291 I CB -0.219 37.555 38.000 -0.376 0.000 1.058 291 I HN 0.267 nan 8.210 nan 0.000 0.410 292 R N 1.802 122.138 120.500 -0.273 0.000 2.127 292 R HA -0.101 4.253 4.340 0.024 0.000 0.238 292 R C 1.887 178.089 176.300 -0.163 0.000 1.134 292 R CA 1.750 57.724 56.100 -0.209 0.000 0.975 292 R CB -0.535 29.676 30.300 -0.148 0.000 0.865 292 R HN 0.361 nan 8.270 nan 0.000 0.447 293 A N -0.425 122.314 122.820 -0.135 0.000 2.251 293 A HA 0.074 4.408 4.320 0.024 0.000 0.209 293 A C 1.538 179.078 177.584 -0.072 0.000 1.187 293 A CA 0.664 52.651 52.037 -0.082 0.000 0.823 293 A CB -0.389 18.579 19.000 -0.053 0.000 0.846 293 A HN 0.413 nan 8.150 nan 0.000 0.486 294 N N -0.740 117.882 118.700 -0.130 0.000 2.660 294 N HA 0.043 4.797 4.740 0.024 0.000 0.231 294 N C 0.973 176.481 175.510 -0.003 0.000 1.022 294 N CA 1.553 54.566 53.050 -0.062 0.000 1.178 294 N CB -0.001 38.447 38.487 -0.065 0.000 1.536 294 N HN 0.439 nan 8.380 nan 0.000 0.582 295 Y N -1.613 118.688 120.300 0.002 0.000 2.527 295 Y HA 0.621 5.185 4.550 0.025 0.000 0.247 295 Y C 1.045 176.946 175.900 0.001 0.000 1.138 295 Y CA 0.020 58.123 58.100 0.006 0.000 1.228 295 Y CB 0.263 38.731 38.460 0.012 0.000 1.252 295 Y HN -0.010 nan 8.280 nan 0.000 0.531 296 S N 0.436 116.012 115.700 -0.207 0.000 3.186 296 S HA -0.293 4.191 4.470 0.024 0.000 0.249 296 S C -0.278 174.258 174.600 -0.106 0.000 1.453 296 S CA 1.728 59.844 58.200 -0.140 0.000 3.213 296 S CB -1.542 61.620 63.200 -0.063 0.000 0.764 296 S HN 0.885 nan 8.310 nan 0.000 0.474 297 N N 2.613 121.379 118.700 0.111 0.000 2.416 297 N HA 0.707 5.461 4.740 0.024 0.000 0.276 297 N C -3.412 172.321 175.510 0.372 0.000 1.261 297 N CA -1.695 51.468 53.050 0.188 0.000 0.790 297 N CB 1.446 40.012 38.487 0.131 0.000 1.554 297 N HN 0.312 nan 8.380 nan 0.000 0.481 298 P HA 0.331 nan 4.420 nan 0.000 0.279 298 P C -2.633 174.672 177.300 0.008 0.000 1.252 298 P CA -1.366 61.800 63.100 0.108 0.000 0.811 298 P CB 0.069 31.806 31.700 0.062 0.000 1.035 299 P HA 0.067 nan 4.420 nan 0.000 0.271 299 P C 0.556 177.804 177.300 -0.086 0.000 1.233 299 P CA 0.086 63.150 63.100 -0.060 0.000 0.764 299 P CB 0.590 32.242 31.700 -0.080 0.000 0.825 300 A N 4.101 126.889 122.820 -0.055 0.000 1.858 300 A HA -0.232 4.102 4.320 0.024 0.000 0.216 300 A C 2.227 179.752 177.584 -0.099 0.000 1.190 300 A CA 1.341 53.328 52.037 -0.083 0.000 0.617 300 A CB -1.753 17.220 19.000 -0.044 0.000 0.827 300 A HN 0.717 nan 8.150 nan 0.000 0.443 301 H N -0.484 118.518 119.070 -0.114 0.000 2.314 301 H HA -0.253 4.301 4.556 -0.002 0.000 0.288 301 H C 2.349 177.594 175.328 -0.138 0.000 1.091 301 H CA 2.569 58.553 56.048 -0.105 0.000 1.155 301 H CB -0.739 28.977 29.762 -0.076 0.000 1.362 301 H HN 0.428 nan 8.280 nan 0.000 0.530 302 G N -0.370 108.387 108.800 -0.072 0.000 2.450 302 G HA2 -0.218 3.756 3.960 0.024 0.000 0.220 302 G HA3 -0.218 3.756 3.960 0.024 0.000 0.220 302 G C 1.878 176.582 174.900 -0.326 0.000 1.130 302 G CA 1.289 46.287 45.100 -0.169 0.000 0.760 302 G HN 0.626 nan 8.290 nan 0.000 0.557 303 A N 0.446 123.033 122.820 -0.390 0.000 1.970 303 A HA 0.160 4.494 4.320 0.024 0.000 0.216 303 A C 2.653 179.998 177.584 -0.398 0.000 1.170 303 A CA 1.912 53.589 52.037 -0.600 0.000 0.645 303 A CB -0.323 18.118 19.000 -0.932 0.000 0.816 303 A HN 0.282 nan 8.150 nan 0.000 0.447 304 S N -0.350 115.160 115.700 -0.315 0.000 2.402 304 S HA -0.086 4.398 4.470 0.024 0.000 0.229 304 S C 1.831 176.282 174.600 -0.249 0.000 1.021 304 S CA 1.228 59.292 58.200 -0.227 0.000 0.974 304 S CB -0.263 62.823 63.200 -0.190 0.000 0.800 304 S HN 0.334 nan 8.310 nan 0.000 0.484 305 V N 1.405 121.118 119.914 -0.334 0.000 2.307 305 V HA -0.124 4.010 4.120 0.024 0.000 0.245 305 V C 2.316 178.201 176.094 -0.348 0.000 1.045 305 V CA 1.373 63.490 62.300 -0.305 0.000 1.024 305 V CB -0.669 30.973 31.823 -0.303 0.000 0.651 305 V HN 0.334 nan 8.190 nan 0.000 0.449 306 V N 0.297 119.898 119.914 -0.522 0.000 2.343 306 V HA -0.268 3.866 4.120 0.024 0.000 0.247 306 V C 2.678 178.470 176.094 -0.503 0.000 1.051 306 V CA 2.121 63.919 62.300 -0.838 0.000 1.036 306 V CB -1.093 30.061 31.823 -1.114 0.000 0.654 306 V HN 0.563 nan 8.190 nan 0.000 0.451 307 A N 0.735 123.395 122.820 -0.266 0.000 1.873 307 A HA -0.219 4.115 4.320 0.024 0.000 0.215 307 A C 2.520 179.999 177.584 -0.175 0.000 1.186 307 A CA 2.489 54.427 52.037 -0.164 0.000 0.616 307 A CB -1.090 17.884 19.000 -0.044 0.000 0.823 307 A HN 0.633 nan 8.150 nan 0.000 0.442 308 T N -1.462 112.986 114.554 -0.178 0.000 2.833 308 T HA -0.082 4.282 4.350 0.024 0.000 0.269 308 T C 1.796 176.376 174.700 -0.201 0.000 1.054 308 T CA 1.554 63.538 62.100 -0.193 0.000 1.135 308 T CB -0.540 68.213 68.868 -0.191 0.000 0.869 308 T HN 0.353 nan 8.240 nan 0.000 0.466 309 I N -0.015 120.445 120.570 -0.184 0.000 2.333 309 I HA -0.007 4.177 4.170 0.024 0.000 0.246 309 I C 2.170 178.214 176.117 -0.121 0.000 1.106 309 I CA 0.631 61.854 61.300 -0.128 0.000 1.411 309 I CB -0.233 37.722 38.000 -0.075 0.000 1.082 309 I HN 0.193 nan 8.210 nan 0.000 0.420 310 L N 0.101 121.219 121.223 -0.176 0.000 2.217 310 L HA -0.059 4.295 4.340 0.024 0.000 0.211 310 L C 2.404 179.213 176.870 -0.100 0.000 1.107 310 L CA 1.568 56.322 54.840 -0.143 0.000 0.783 310 L CB -0.786 41.145 42.059 -0.213 0.000 0.919 310 L HN 0.072 nan 8.230 nan 0.000 0.442 311 S N -1.227 114.404 115.700 -0.115 0.000 2.527 311 S HA 0.000 4.484 4.470 0.024 0.000 0.222 311 S C 0.842 175.388 174.600 -0.091 0.000 0.985 311 S CA 0.020 58.163 58.200 -0.095 0.000 0.921 311 S CB -0.428 62.712 63.200 -0.099 0.000 0.772 311 S HN 0.476 nan 8.310 nan 0.000 0.529 312 N N 0.878 119.519 118.700 -0.100 0.000 2.417 312 N HA 0.206 4.960 4.740 0.024 0.000 0.274 312 N C -0.060 175.419 175.510 -0.052 0.000 0.987 312 N CA -0.427 52.566 53.050 -0.095 0.000 0.912 312 N CB 1.224 39.623 38.487 -0.148 0.000 1.177 312 N HN -0.081 nan 8.380 nan 0.000 0.490 313 D N 2.659 123.036 120.400 -0.038 0.000 2.106 313 D HA -0.252 4.402 4.640 0.024 0.000 0.191 313 D C 1.725 178.018 176.300 -0.012 0.000 0.997 313 D CA 1.586 55.575 54.000 -0.019 0.000 0.834 313 D CB -0.121 40.668 40.800 -0.018 0.000 0.956 313 D HN 0.526 nan 8.370 nan 0.000 0.448 314 A N 0.328 123.136 122.820 -0.021 0.000 1.858 314 A HA -0.102 4.232 4.320 0.024 0.000 0.216 314 A C 2.095 179.678 177.584 -0.003 0.000 1.190 314 A CA 0.978 53.007 52.037 -0.014 0.000 0.617 314 A CB -0.878 18.111 19.000 -0.019 0.000 0.827 314 A HN 0.163 nan 8.150 nan 0.000 0.443 315 L N -0.126 121.089 121.223 -0.013 0.000 2.042 315 L HA -0.155 4.200 4.340 0.024 0.000 0.210 315 L C 2.592 179.503 176.870 0.068 0.000 1.076 315 L CA 2.217 57.060 54.840 0.006 0.000 0.749 315 L CB -0.848 41.186 42.059 -0.041 0.000 0.893 315 L HN 0.521 nan 8.230 nan 0.000 0.432 316 R N -0.831 119.710 120.500 0.069 0.000 2.092 316 R HA -0.141 4.213 4.340 0.024 0.000 0.231 316 R C 2.167 178.564 176.300 0.162 0.000 1.119 316 R CA 1.266 57.469 56.100 0.172 0.000 0.970 316 R CB -0.164 30.211 30.300 0.125 0.000 0.864 316 R HN 0.352 nan 8.270 nan 0.000 0.440 317 A N 1.319 124.174 122.820 0.058 0.000 1.883 317 A HA -0.160 4.174 4.320 0.024 0.000 0.217 317 A C 2.154 179.721 177.584 -0.028 0.000 1.186 317 A CA 1.530 53.568 52.037 0.001 0.000 0.624 317 A CB -0.516 18.477 19.000 -0.012 0.000 0.822 317 A HN 0.362 nan 8.150 nan 0.000 0.444 318 I N -2.439 118.132 120.570 0.001 0.000 2.226 318 I HA -0.257 3.927 4.170 0.024 0.000 0.245 318 I C 2.420 178.515 176.117 -0.036 0.000 1.100 318 I CA 1.600 62.890 61.300 -0.017 0.000 1.374 318 I CB -0.389 37.617 38.000 0.010 0.000 1.057 318 I HN 0.734 nan 8.210 nan 0.000 0.413 319 W N 2.261 123.473 121.300 -0.147 0.000 2.333 319 W HA -0.221 4.453 4.660 0.023 0.000 0.316 319 W C 2.391 178.749 176.519 -0.269 0.000 1.215 319 W CA 1.633 58.838 57.345 -0.234 0.000 1.278 319 W CB -0.395 28.896 29.460 -0.280 0.000 1.154 319 W HN 0.059 nan 8.180 nan 0.000 0.486 320 E N -0.308 119.514 120.200 -0.630 0.000 2.118 320 E HA -0.332 4.032 4.350 0.024 0.000 0.195 320 E C 2.036 178.266 176.600 -0.618 0.000 0.992 320 E CA 1.747 57.628 56.400 -0.866 0.000 0.804 320 E CB -0.169 29.272 29.700 -0.431 0.000 0.741 320 E HN 0.261 nan 8.360 nan 0.000 0.458 321 Q N 0.965 120.532 119.800 -0.389 0.000 2.083 321 Q HA -0.142 4.213 4.340 0.024 0.000 0.198 321 Q C 1.592 177.403 176.000 -0.315 0.000 0.969 321 Q CA 1.567 57.199 55.803 -0.286 0.000 0.838 321 Q CB 0.006 28.639 28.738 -0.175 0.000 0.900 321 Q HN 0.273 nan 8.270 nan 0.000 0.436 322 E N -0.234 119.765 120.200 -0.335 0.000 2.085 322 E HA -0.204 4.160 4.350 0.024 0.000 0.194 322 E C 1.903 178.244 176.600 -0.432 0.000 0.994 322 E CA 1.193 57.410 56.400 -0.305 0.000 0.801 322 E CB -0.244 29.314 29.700 -0.237 0.000 0.743 322 E HN 0.276 nan 8.360 nan 0.000 0.453 323 L N 1.195 122.017 121.223 -0.669 0.000 2.017 323 L HA -0.172 4.182 4.340 0.024 0.000 0.208 323 L C 2.687 179.208 176.870 -0.582 0.000 1.073 323 L CA 2.438 56.826 54.840 -0.753 0.000 0.745 323 L CB -0.927 40.484 42.059 -1.079 0.000 0.894 323 L HN 0.193 nan 8.230 nan 0.000 0.432 324 T N -3.619 110.649 114.554 -0.476 0.000 2.915 324 T HA -0.165 4.199 4.350 0.024 0.000 0.269 324 T C 1.687 176.248 174.700 -0.232 0.000 1.071 324 T CA 1.355 63.260 62.100 -0.325 0.000 1.132 324 T CB -0.526 68.189 68.868 -0.256 0.000 0.878 324 T HN 0.353 nan 8.240 nan 0.000 0.479 325 D N 1.110 121.374 120.400 -0.227 0.000 2.097 325 D HA -0.015 4.640 4.640 0.024 0.000 0.195 325 D C 2.199 178.435 176.300 -0.107 0.000 0.989 325 D CA 1.303 55.221 54.000 -0.136 0.000 0.827 325 D CB -0.374 40.356 40.800 -0.117 0.000 0.966 325 D HN 0.472 nan 8.370 nan 0.000 0.456 326 M N 0.073 119.534 119.600 -0.231 0.000 2.065 326 M HA -0.171 4.323 4.480 0.024 0.000 0.259 326 M C 2.378 178.677 176.300 -0.003 0.000 1.069 326 M CA 1.319 56.455 55.300 -0.274 0.000 1.110 326 M CB -0.279 31.905 32.600 -0.694 0.000 1.328 326 M HN -0.076 nan 8.290 nan 0.000 0.405 327 R N 0.602 121.031 120.500 -0.118 0.000 2.083 327 R HA -0.205 4.149 4.340 0.024 0.000 0.237 327 R C 2.095 178.419 176.300 0.041 0.000 1.137 327 R CA 1.983 58.083 56.100 -0.001 0.000 0.951 327 R CB -0.196 30.023 30.300 -0.135 0.000 0.851 327 R HN 0.496 nan 8.270 nan 0.000 0.434 328 Q N -0.472 119.323 119.800 -0.008 0.000 2.167 328 Q HA -0.172 4.182 4.340 0.024 0.000 0.202 328 Q C 2.240 178.268 176.000 0.046 0.000 0.970 328 Q CA 1.359 57.168 55.803 0.010 0.000 0.855 328 Q CB -0.138 28.588 28.738 -0.019 0.000 0.911 328 Q HN 0.324 nan 8.270 nan 0.000 0.438 329 R N 0.894 121.444 120.500 0.083 0.000 2.075 329 R HA -0.113 4.241 4.340 0.024 0.000 0.232 329 R C 2.155 178.515 176.300 0.100 0.000 1.126 329 R CA 1.064 57.228 56.100 0.106 0.000 0.963 329 R CB -0.159 30.250 30.300 0.183 0.000 0.858 329 R HN 0.233 nan 8.270 nan 0.000 0.435 330 I N 0.988 121.647 120.570 0.149 0.000 2.163 330 I HA -0.335 3.849 4.170 0.024 0.000 0.243 330 I C 2.360 178.510 176.117 0.056 0.000 1.085 330 I CA 1.584 62.945 61.300 0.101 0.000 1.347 330 I CB -0.359 37.725 38.000 0.141 0.000 1.044 330 I HN 0.349 nan 8.210 nan 0.000 0.408 331 Q N 0.044 119.881 119.800 0.063 0.000 2.226 331 Q HA -0.160 4.194 4.340 0.024 0.000 0.204 331 Q C 2.313 178.336 176.000 0.040 0.000 0.975 331 Q CA 0.930 56.762 55.803 0.048 0.000 0.866 331 Q CB -0.034 28.730 28.738 0.045 0.000 0.915 331 Q HN 0.383 nan 8.270 nan 0.000 0.440 332 R N -0.016 120.506 120.500 0.037 0.000 2.090 332 R HA 0.038 4.392 4.340 0.024 0.000 0.228 332 R C 2.052 178.370 176.300 0.030 0.000 1.110 332 R CA 0.900 57.017 56.100 0.030 0.000 0.973 332 R CB -0.405 29.910 30.300 0.025 0.000 0.869 332 R HN 0.307 nan 8.270 nan 0.000 0.440 333 M N 0.851 120.466 119.600 0.024 0.000 2.086 333 M HA -0.132 4.362 4.480 0.024 0.000 0.261 333 M C 2.188 178.513 176.300 0.043 0.000 1.067 333 M CA 1.697 57.005 55.300 0.013 0.000 1.116 333 M CB -0.860 31.722 32.600 -0.030 0.000 1.348 333 M HN 0.150 nan 8.290 nan 0.000 0.407 334 R N -0.158 120.367 120.500 0.042 0.000 2.115 334 R HA -0.135 4.219 4.340 0.024 0.000 0.230 334 R C 1.957 178.333 176.300 0.127 0.000 1.111 334 R CA 1.405 57.564 56.100 0.099 0.000 0.976 334 R CB -0.584 29.756 30.300 0.068 0.000 0.870 334 R HN 0.421 nan 8.270 nan 0.000 0.445 335 Q N 0.558 120.401 119.800 0.073 0.000 2.046 335 Q HA -0.088 4.266 4.340 0.024 0.000 0.200 335 Q C 2.092 178.118 176.000 0.043 0.000 0.975 335 Q CA 1.356 57.187 55.803 0.047 0.000 0.836 335 Q CB -0.045 28.712 28.738 0.033 0.000 0.896 335 Q HN 0.305 nan 8.270 nan 0.000 0.428 336 L N 0.042 121.297 121.223 0.054 0.000 2.083 336 L HA -0.166 4.189 4.340 0.024 0.000 0.209 336 L C 1.959 178.870 176.870 0.069 0.000 1.083 336 L CA 1.558 56.425 54.840 0.045 0.000 0.752 336 L CB -0.637 41.447 42.059 0.042 0.000 0.899 336 L HN 0.231 nan 8.230 nan 0.000 0.433 337 F N -0.528 119.377 119.950 -0.074 0.000 2.065 337 F HA -0.241 4.301 4.527 0.025 0.000 0.298 337 F C 2.258 177.975 175.800 -0.139 0.000 1.112 337 F CA 2.119 60.053 58.000 -0.110 0.000 1.212 337 F CB -0.907 38.026 39.000 -0.113 0.000 0.975 337 F HN -0.061 nan 8.300 nan 0.000 0.476 338 V N 1.045 120.836 119.914 -0.206 0.000 2.287 338 V HA -0.366 3.768 4.120 0.024 0.000 0.248 338 V C 2.302 178.262 176.094 -0.224 0.000 1.053 338 V CA 2.237 64.353 62.300 -0.307 0.000 1.027 338 V CB -0.952 30.788 31.823 -0.138 0.000 0.646 338 V HN 0.348 nan 8.190 nan 0.000 0.447 339 N N 0.273 118.902 118.700 -0.119 0.000 2.043 339 N HA -0.151 4.603 4.740 0.024 0.000 0.193 339 N C 1.895 177.343 175.510 -0.103 0.000 1.037 339 N CA 2.105 55.105 53.050 -0.083 0.000 0.851 339 N CB -0.938 37.525 38.487 -0.042 0.000 1.027 339 N HN 0.459 nan 8.380 nan 0.000 0.422 340 T N 1.650 116.138 114.554 -0.110 0.000 2.881 340 T HA 0.018 4.382 4.350 0.024 0.000 0.270 340 T C 2.061 176.657 174.700 -0.174 0.000 1.068 340 T CA 0.472 62.508 62.100 -0.106 0.000 1.131 340 T CB -0.134 68.698 68.868 -0.060 0.000 0.871 340 T HN 0.140 nan 8.240 nan 0.000 0.479 341 L N 0.570 121.609 121.223 -0.307 0.000 2.056 341 L HA -0.073 4.281 4.340 0.024 0.000 0.207 341 L C 3.024 179.767 176.870 -0.212 0.000 1.078 341 L CA 1.215 55.819 54.840 -0.394 0.000 0.749 341 L CB -0.423 41.187 42.059 -0.748 0.000 0.901 341 L HN 0.233 nan 8.230 nan 0.000 0.433 342 Q N 0.211 119.921 119.800 -0.150 0.000 2.079 342 Q HA -0.261 4.093 4.340 0.024 0.000 0.200 342 Q C 2.023 177.991 176.000 -0.054 0.000 0.974 342 Q CA 1.736 57.500 55.803 -0.065 0.000 0.840 342 Q CB 0.066 28.778 28.738 -0.043 0.000 0.898 342 Q HN 0.520 nan 8.270 nan 0.000 0.430 343 E N 0.150 120.312 120.200 -0.064 0.000 2.077 343 E HA -0.197 4.167 4.350 0.024 0.000 0.193 343 E C 1.471 178.044 176.600 -0.045 0.000 0.989 343 E CA 1.068 57.441 56.400 -0.046 0.000 0.800 343 E CB 0.160 29.833 29.700 -0.045 0.000 0.746 343 E HN -0.007 nan 8.360 nan 0.000 0.452 344 K N -0.727 119.635 120.400 -0.064 0.000 2.504 344 K HA 0.041 4.375 4.320 0.024 0.000 0.195 344 K C 0.614 177.186 176.600 -0.047 0.000 1.036 344 K CA 0.806 57.057 56.287 -0.059 0.000 0.984 344 K CB 0.369 32.820 32.500 -0.082 0.000 0.788 344 K HN 0.339 nan 8.250 nan 0.000 0.488 345 G N -0.838 107.938 108.800 -0.040 0.000 2.167 345 G HA2 -0.173 3.801 3.960 0.024 0.000 0.194 345 G HA3 -0.173 3.801 3.960 0.024 0.000 0.194 345 G C -0.042 174.853 174.900 -0.007 0.000 1.027 345 G CA -0.156 44.933 45.100 -0.018 0.000 0.717 345 G HN 0.433 nan 8.290 nan 0.000 0.501 346 A N 0.426 123.239 122.820 -0.011 0.000 2.409 346 A HA 0.590 4.924 4.320 0.024 0.000 0.262 346 A C 1.476 179.117 177.584 0.095 0.000 1.113 346 A CA 0.444 52.510 52.037 0.048 0.000 0.790 346 A CB 0.236 19.255 19.000 0.032 0.000 1.046 346 A HN 0.663 nan 8.150 nan 0.000 0.496 347 N N 2.952 121.715 118.700 0.105 0.000 2.207 347 N HA -0.089 4.665 4.740 0.024 0.000 0.182 347 N C 0.922 176.476 175.510 0.073 0.000 1.020 347 N CA 0.385 53.479 53.050 0.074 0.000 0.858 347 N CB -0.120 38.398 38.487 0.051 0.000 0.991 347 N HN 0.727 nan 8.380 nan 0.000 0.427 348 R N 1.461 122.016 120.500 0.091 0.000 2.679 348 R HA 0.025 4.379 4.340 0.024 0.000 0.269 348 R C -1.120 175.162 176.300 -0.031 0.000 1.076 348 R CA -0.176 55.889 56.100 -0.058 0.000 1.160 348 R CB 0.459 30.580 30.300 -0.298 0.000 1.054 348 R HN 0.051 nan 8.270 nan 0.000 0.507 349 D N 1.883 122.230 120.400 -0.089 0.000 2.317 349 D HA 0.121 4.775 4.640 0.024 0.000 0.234 349 D C -0.749 175.532 176.300 -0.033 0.000 1.112 349 D CA -0.267 53.746 54.000 0.023 0.000 0.840 349 D CB 0.409 41.242 40.800 0.056 0.000 1.078 349 D HN 0.412 nan 8.370 nan 0.000 0.486 350 F N 2.218 122.114 119.950 -0.090 0.000 2.730 350 F HA 0.178 4.720 4.527 0.024 0.000 0.295 350 F C 1.965 177.440 175.800 -0.542 0.000 1.143 350 F CA -0.388 57.354 58.000 -0.430 0.000 1.367 350 F CB 0.372 39.083 39.000 -0.483 0.000 0.970 350 F HN 0.310 nan 8.300 nan 0.000 0.514 351 S N 0.465 116.120 115.700 -0.074 0.000 2.399 351 S HA -0.212 4.272 4.470 0.024 0.000 0.231 351 S C 1.957 176.527 174.600 -0.052 0.000 1.022 351 S CA 1.276 59.453 58.200 -0.039 0.000 0.983 351 S CB -0.535 62.696 63.200 0.053 0.000 0.803 351 S HN 0.661 nan 8.310 nan 0.000 0.480 352 F N 1.249 121.203 119.950 0.006 0.000 2.307 352 F HA -0.055 4.486 4.527 0.024 0.000 0.301 352 F C 1.635 177.477 175.800 0.070 0.000 1.076 352 F CA 0.352 58.357 58.000 0.008 0.000 1.383 352 F CB -0.810 38.097 39.000 -0.156 0.000 1.055 352 F HN 0.086 nan 8.300 nan 0.000 0.526 353 I N 1.740 122.040 120.570 -0.451 0.000 2.208 353 I HA -0.263 3.921 4.170 0.024 0.000 0.245 353 I C 2.443 178.574 176.117 0.023 0.000 1.097 353 I CA 1.427 62.634 61.300 -0.156 0.000 1.363 353 I CB -1.129 36.800 38.000 -0.119 0.000 1.051 353 I HN 0.307 nan 8.210 nan 0.000 0.413 354 I N 0.673 121.250 120.570 0.011 0.000 2.756 354 I HA -0.216 3.969 4.170 0.024 0.000 0.262 354 I C 1.987 178.152 176.117 0.080 0.000 1.225 354 I CA 0.845 62.175 61.300 0.049 0.000 1.472 354 I CB -0.333 37.688 38.000 0.035 0.000 1.094 354 I HN 0.165 nan 8.210 nan 0.000 0.454 355 K N 0.821 121.289 120.400 0.113 0.000 2.400 355 K HA 0.126 4.460 4.320 0.024 0.000 0.194 355 K C 0.544 177.235 176.600 0.152 0.000 1.033 355 K CA 0.281 56.651 56.287 0.138 0.000 1.021 355 K CB 0.023 32.629 32.500 0.177 0.000 0.808 355 K HN 0.471 nan 8.250 nan 0.000 0.505 356 Q N 0.909 120.803 119.800 0.157 0.000 2.256 356 Q HA 0.239 4.593 4.340 0.024 0.000 0.232 356 Q C -0.607 175.465 176.000 0.120 0.000 0.965 356 Q CA -0.274 55.624 55.803 0.159 0.000 0.908 356 Q CB 0.929 29.776 28.738 0.183 0.000 1.209 356 Q HN 0.094 nan 8.270 nan 0.000 0.489 357 N N -0.922 117.849 118.700 0.118 0.000 2.292 357 N HA 0.693 5.448 4.740 0.024 0.000 0.303 357 N C -0.554 174.973 175.510 0.028 0.000 1.140 357 N CA -0.101 53.007 53.050 0.096 0.000 0.788 357 N CB 1.963 40.534 38.487 0.141 0.000 1.361 357 N HN 0.765 nan 8.380 nan 0.000 0.489 358 G N 0.121 108.915 108.800 -0.010 0.000 2.548 358 G HA2 -0.243 3.731 3.960 0.024 0.000 0.208 358 G HA3 -0.243 3.731 3.960 0.024 0.000 0.208 358 G C 0.302 175.004 174.900 -0.330 0.000 1.308 358 G CA -0.355 44.619 45.100 -0.210 0.000 0.924 358 G HN 0.470 nan 8.290 nan 0.000 0.540 359 M N -0.189 118.979 119.600 -0.720 0.000 2.447 359 M HA 0.279 4.773 4.480 0.024 0.000 0.264 359 M C 0.673 176.558 176.300 -0.691 0.000 1.095 359 M CA 1.004 55.844 55.300 -0.766 0.000 1.125 359 M CB -0.038 31.919 32.600 -1.073 0.000 1.389 359 M HN 0.296 nan 8.290 nan 0.000 0.459 360 F N 0.069 119.916 119.950 -0.173 0.000 2.450 360 F HA 0.559 5.100 4.527 0.024 0.000 0.361 360 F C 0.597 176.375 175.800 -0.037 0.000 1.092 360 F CA -1.408 56.530 58.000 -0.103 0.000 1.105 360 F CB 0.630 39.570 39.000 -0.100 0.000 1.458 360 F HN -0.119 nan 8.300 nan 0.000 0.496 361 S N -0.341 115.529 115.700 0.283 0.000 2.570 361 S HA 0.407 4.892 4.470 0.024 0.000 0.286 361 S C -1.627 173.193 174.600 0.366 0.000 1.143 361 S CA -0.729 57.623 58.200 0.254 0.000 0.921 361 S CB 0.625 63.930 63.200 0.175 0.000 1.108 361 S HN 0.372 nan 8.310 nan 0.000 0.456 362 F N 4.375 124.427 119.950 0.168 0.000 2.462 362 F HA 0.357 4.898 4.527 0.023 0.000 0.354 362 F C 1.945 177.939 175.800 0.324 0.000 1.192 362 F CA -0.964 57.129 58.000 0.156 0.000 1.173 362 F CB 0.421 39.430 39.000 0.015 0.000 1.402 362 F HN 0.907 nan 8.300 nan 0.000 0.595 363 S N 2.529 118.419 115.700 0.317 0.000 2.402 363 S HA -0.079 4.405 4.470 0.024 0.000 0.233 363 S C 1.798 176.619 174.600 0.368 0.000 1.030 363 S CA 0.968 59.397 58.200 0.381 0.000 1.003 363 S CB -0.765 62.611 63.200 0.294 0.000 0.813 363 S HN 1.358 nan 8.310 nan 0.000 0.477 364 G N 0.179 109.018 108.800 0.065 0.000 2.137 364 G HA2 -0.181 3.794 3.960 0.024 0.000 0.237 364 G HA3 -0.181 3.794 3.960 0.024 0.000 0.237 364 G C -0.251 174.661 174.900 0.021 0.000 1.002 364 G CA 0.150 45.253 45.100 0.005 0.000 0.702 364 G HN 0.512 nan 8.290 nan 0.000 0.515 365 L N 1.615 122.852 121.223 0.023 0.000 2.418 365 L HA 0.672 5.026 4.340 0.024 0.000 0.265 365 L C 1.552 178.415 176.870 -0.013 0.000 1.143 365 L CA 0.401 55.269 54.840 0.046 0.000 0.809 365 L CB 1.152 43.258 42.059 0.078 0.000 1.124 365 L HN 0.448 nan 8.230 nan 0.000 0.456 366 T N -0.845 113.714 114.554 0.008 0.000 2.882 366 T HA 0.200 4.564 4.350 0.024 0.000 0.287 366 T C 1.126 175.827 174.700 0.001 0.000 1.014 366 T CA -0.320 61.779 62.100 -0.003 0.000 1.049 366 T CB 0.620 69.493 68.868 0.008 0.000 1.001 366 T HN 0.690 nan 8.240 nan 0.000 0.525 367 K N 0.808 121.207 120.400 -0.001 0.000 2.074 367 K HA -0.261 4.073 4.320 0.024 0.000 0.209 367 K C 1.717 178.321 176.600 0.007 0.000 1.048 367 K CA 2.125 58.413 56.287 0.002 0.000 0.926 367 K CB -0.274 32.228 32.500 0.004 0.000 0.713 367 K HN 0.692 nan 8.250 nan 0.000 0.444 368 E N 0.855 121.062 120.200 0.011 0.000 2.077 368 E HA -0.157 4.207 4.350 0.024 0.000 0.193 368 E C 2.226 178.842 176.600 0.027 0.000 0.989 368 E CA 1.530 57.940 56.400 0.016 0.000 0.800 368 E CB -0.066 29.644 29.700 0.017 0.000 0.746 368 E HN 0.424 nan 8.360 nan 0.000 0.452 369 Q N -0.094 119.726 119.800 0.034 0.000 2.061 369 Q HA -0.139 4.215 4.340 0.024 0.000 0.204 369 Q C 2.241 178.269 176.000 0.048 0.000 0.984 369 Q CA 1.494 57.327 55.803 0.050 0.000 0.846 369 Q CB -0.112 28.659 28.738 0.054 0.000 0.902 369 Q HN 0.164 nan 8.270 nan 0.000 0.421 370 V N 0.643 120.575 119.914 0.029 0.000 2.407 370 V HA -0.247 3.887 4.120 0.024 0.000 0.248 370 V C 2.090 178.182 176.094 -0.004 0.000 1.055 370 V CA 1.298 63.607 62.300 0.015 0.000 1.049 370 V CB -0.376 31.451 31.823 0.006 0.000 0.662 370 V HN 0.277 nan 8.190 nan 0.000 0.455 371 L N -0.274 120.947 121.223 -0.002 0.000 2.056 371 L HA -0.088 4.266 4.340 0.024 0.000 0.207 371 L C 2.565 179.432 176.870 -0.006 0.000 1.078 371 L CA 1.942 56.770 54.840 -0.019 0.000 0.749 371 L CB -0.692 41.361 42.059 -0.010 0.000 0.901 371 L HN 0.231 nan 8.230 nan 0.000 0.433 372 R N -0.923 119.597 120.500 0.035 0.000 2.115 372 R HA -0.098 4.256 4.340 0.024 0.000 0.226 372 R C 2.271 178.665 176.300 0.156 0.000 1.100 372 R CA 1.026 57.167 56.100 0.069 0.000 0.980 372 R CB -0.224 30.136 30.300 0.100 0.000 0.875 372 R HN 0.296 nan 8.270 nan 0.000 0.445 373 L N 0.520 121.844 121.223 0.169 0.000 2.042 373 L HA -0.225 4.129 4.340 0.024 0.000 0.210 373 L C 2.916 179.885 176.870 0.165 0.000 1.076 373 L CA 1.748 56.732 54.840 0.240 0.000 0.749 373 L CB -0.452 41.662 42.059 0.091 0.000 0.893 373 L HN 0.307 nan 8.230 nan 0.000 0.432 374 R N -0.033 120.449 120.500 -0.029 0.000 2.055 374 R HA -0.138 4.216 4.340 0.024 0.000 0.228 374 R C 2.118 178.347 176.300 -0.118 0.000 1.143 374 R CA 1.312 57.279 56.100 -0.221 0.000 0.945 374 R CB -0.148 29.880 30.300 -0.453 0.000 0.841 374 R HN 0.303 nan 8.270 nan 0.000 0.429 375 E N 0.637 120.786 120.200 -0.086 0.000 2.085 375 E HA -0.206 4.158 4.350 0.024 0.000 0.194 375 E C 1.880 178.423 176.600 -0.095 0.000 0.994 375 E CA 1.357 57.715 56.400 -0.069 0.000 0.801 375 E CB -0.060 29.605 29.700 -0.058 0.000 0.743 375 E HN 0.526 nan 8.360 nan 0.000 0.453 376 E N -0.974 119.139 120.200 -0.146 0.000 2.140 376 E HA -0.000 4.364 4.350 0.024 0.000 0.191 376 E C 1.126 177.408 176.600 -0.530 0.000 0.973 376 E CA 0.349 56.507 56.400 -0.402 0.000 0.829 376 E CB 0.208 29.520 29.700 -0.647 0.000 0.781 376 E HN 0.180 nan 8.360 nan 0.000 0.466 377 F N -0.984 118.971 119.950 0.010 0.000 2.706 377 F HA 0.312 4.852 4.527 0.023 0.000 0.313 377 F C 1.346 177.188 175.800 0.069 0.000 1.096 377 F CA 0.307 58.326 58.000 0.033 0.000 1.219 377 F CB 1.181 40.200 39.000 0.031 0.000 1.051 377 F HN 0.008 nan 8.300 nan 0.000 0.568 378 G N 1.088 110.016 108.800 0.214 0.000 2.180 378 G HA2 -0.292 3.682 3.960 0.024 0.000 0.263 378 G HA3 -0.292 3.682 3.960 0.024 0.000 0.263 378 G C 0.092 175.261 174.900 0.449 0.000 0.989 378 G CA 0.352 45.637 45.100 0.309 0.000 0.692 378 G HN 0.189 nan 8.290 nan 0.000 0.526 379 V N 0.837 120.931 119.914 0.300 0.000 2.432 379 V HA 0.468 4.603 4.120 0.024 0.000 0.271 379 V C -0.052 176.162 176.094 0.201 0.000 1.046 379 V CA -0.618 61.848 62.300 0.277 0.000 0.945 379 V CB 0.723 32.635 31.823 0.147 0.000 0.992 379 V HN 0.219 nan 8.190 nan 0.000 0.471 380 Y N 3.687 124.057 120.300 0.117 0.000 2.342 380 Y HA 0.721 5.285 4.550 0.025 0.000 0.338 380 Y C 0.440 176.347 175.900 0.012 0.000 0.965 380 Y CA -0.384 57.764 58.100 0.079 0.000 1.159 380 Y CB 1.566 40.082 38.460 0.094 0.000 1.157 380 Y HN 0.740 nan 8.280 nan 0.000 0.486 381 A N 2.177 125.048 122.820 0.086 0.000 2.486 381 A HA 0.847 5.181 4.320 0.024 0.000 0.289 381 A C -1.284 176.327 177.584 0.045 0.000 1.176 381 A CA -0.820 51.251 52.037 0.056 0.000 0.757 381 A CB 0.861 19.885 19.000 0.040 0.000 1.337 381 A HN 0.389 nan 8.150 nan 0.000 0.423 382 V N 1.090 121.025 119.914 0.036 0.000 2.732 382 V HA 0.391 4.525 4.120 0.024 0.000 0.297 382 V C 1.786 177.899 176.094 0.032 0.000 1.060 382 V CA 0.507 62.826 62.300 0.031 0.000 1.038 382 V CB 1.110 32.940 31.823 0.010 0.000 1.003 382 V HN 1.320 nan 8.190 nan 0.000 0.481 383 A N 3.253 126.089 122.820 0.026 0.000 2.042 383 A HA -0.172 4.162 4.320 0.024 0.000 0.222 383 A C 2.195 179.792 177.584 0.023 0.000 1.167 383 A CA 2.235 54.283 52.037 0.019 0.000 0.649 383 A CB -0.619 18.391 19.000 0.016 0.000 0.809 383 A HN 1.079 nan 8.150 nan 0.000 0.457 384 S N -2.175 113.557 115.700 0.054 0.000 2.522 384 S HA 0.338 4.822 4.470 0.024 0.000 0.227 384 S C 1.464 176.033 174.600 -0.052 0.000 0.986 384 S CA 1.044 59.294 58.200 0.082 0.000 0.929 384 S CB -0.322 63.036 63.200 0.263 0.000 0.769 384 S HN 1.946 nan 8.310 nan 0.000 0.529 385 G N 1.266 110.058 108.800 -0.013 0.000 2.141 385 G HA2 -0.262 3.712 3.960 0.024 0.000 0.231 385 G HA3 -0.262 3.712 3.960 0.024 0.000 0.231 385 G C 0.025 174.964 174.900 0.065 0.000 0.984 385 G CA -0.077 44.994 45.100 -0.048 0.000 0.660 385 G HN 0.675 nan 8.290 nan 0.000 0.525 386 R N 0.361 120.961 120.500 0.166 0.000 2.340 386 R HA 0.548 4.903 4.340 0.024 0.000 0.300 386 R C 0.308 176.666 176.300 0.097 0.000 1.069 386 R CA 0.263 56.486 56.100 0.203 0.000 0.984 386 R CB 0.926 31.259 30.300 0.055 0.000 1.003 386 R HN 0.736 nan 8.270 nan 0.000 0.459 387 V N 1.928 121.916 119.914 0.124 0.000 2.656 387 V HA 0.381 4.515 4.120 0.024 0.000 0.307 387 V C -0.693 175.477 176.094 0.128 0.000 1.051 387 V CA -1.259 61.081 62.300 0.065 0.000 0.893 387 V CB 1.867 33.671 31.823 -0.032 0.000 0.999 387 V HN 0.746 nan 8.190 nan 0.000 0.426 388 N N 3.501 122.268 118.700 0.112 0.000 2.402 388 N HA 0.204 4.958 4.740 0.024 0.000 0.259 388 N C 0.792 176.237 175.510 -0.109 0.000 1.167 388 N CA 0.164 53.269 53.050 0.091 0.000 0.949 388 N CB 1.086 39.612 38.487 0.066 0.000 1.212 388 N HN 0.625 nan 8.380 nan 0.000 0.493 389 V N 3.125 122.948 119.914 -0.152 0.000 2.490 389 V HA -0.205 3.929 4.120 0.024 0.000 0.250 389 V C 2.047 178.028 176.094 -0.187 0.000 1.061 389 V CA 2.063 64.232 62.300 -0.219 0.000 1.064 389 V CB -0.870 30.851 31.823 -0.170 0.000 0.670 389 V HN 0.767 nan 8.190 nan 0.000 0.461 390 A N 0.157 122.866 122.820 -0.185 0.000 2.239 390 A HA 0.146 4.480 4.320 0.024 0.000 0.209 390 A C 2.066 179.492 177.584 -0.263 0.000 1.171 390 A CA 1.161 53.083 52.037 -0.192 0.000 0.768 390 A CB -0.502 18.418 19.000 -0.133 0.000 0.790 390 A HN 0.546 nan 8.150 nan 0.000 0.478 391 G N -1.151 107.522 108.800 -0.211 0.000 3.126 391 G HA2 0.377 4.351 3.960 0.024 0.000 0.224 391 G HA3 0.377 4.351 3.960 0.024 0.000 0.224 391 G C 0.426 175.222 174.900 -0.174 0.000 1.142 391 G CA -0.366 44.614 45.100 -0.200 0.000 0.759 391 G HN 0.428 nan 8.290 nan 0.000 0.550 392 M N 2.023 121.517 119.600 -0.176 0.000 2.233 392 M HA 0.404 4.899 4.480 0.024 0.000 0.355 392 M C 0.039 176.273 176.300 -0.111 0.000 1.191 392 M CA -0.252 54.962 55.300 -0.142 0.000 1.101 392 M CB 1.750 34.247 32.600 -0.171 0.000 1.592 392 M HN 0.079 nan 8.290 nan 0.000 0.461 393 T N -0.918 113.590 114.554 -0.076 0.000 2.907 393 T HA 0.484 4.848 4.350 0.024 0.000 0.292 393 T C -2.478 172.205 174.700 -0.029 0.000 1.043 393 T CA -1.987 60.080 62.100 -0.056 0.000 1.003 393 T CB 1.814 70.651 68.868 -0.052 0.000 1.084 393 T HN 0.290 nan 8.240 nan 0.000 0.483 394 P HA -0.059 nan 4.420 nan 0.000 0.220 394 P C 0.889 178.187 177.300 -0.003 0.000 1.144 394 P CA 0.888 63.984 63.100 -0.005 0.000 0.800 394 P CB 0.123 31.821 31.700 -0.003 0.000 0.772 395 D N -1.236 119.160 120.400 -0.006 0.000 2.249 395 D HA -0.048 4.606 4.640 0.024 0.000 0.205 395 D C 1.174 177.476 176.300 0.003 0.000 0.962 395 D CA 0.838 54.838 54.000 -0.000 0.000 0.860 395 D CB -0.057 40.742 40.800 -0.000 0.000 0.955 395 D HN 0.289 nan 8.370 nan 0.000 0.505 396 N N 0.045 118.744 118.700 -0.001 0.000 2.236 396 N HA -0.032 4.722 4.740 0.024 0.000 0.196 396 N C 1.444 176.958 175.510 0.006 0.000 1.114 396 N CA 0.026 53.080 53.050 0.006 0.000 0.859 396 N CB -0.165 38.324 38.487 0.004 0.000 0.982 396 N HN -0.024 nan 8.380 nan 0.000 0.493 397 M N 0.731 120.335 119.600 0.007 0.000 2.159 397 M HA 0.153 4.647 4.480 0.024 0.000 0.263 397 M C 1.815 178.129 176.300 0.023 0.000 1.063 397 M CA 1.277 56.592 55.300 0.025 0.000 1.110 397 M CB -0.326 32.291 32.600 0.030 0.000 1.374 397 M HN 0.297 nan 8.290 nan 0.000 0.411 398 A N 0.852 123.677 122.820 0.009 0.000 1.840 398 A HA -0.008 4.326 4.320 0.024 0.000 0.214 398 A C -0.277 177.303 177.584 -0.007 0.000 1.198 398 A CA 1.386 53.422 52.037 -0.002 0.000 0.608 398 A CB -2.240 16.759 19.000 -0.000 0.000 0.839 398 A HN 0.462 nan 8.150 nan 0.000 0.443 399 P HA -0.170 nan 4.420 nan 0.000 0.216 399 P C 1.856 179.145 177.300 -0.019 0.000 1.150 399 P CA 1.146 64.250 63.100 0.007 0.000 0.837 399 P CB -0.198 31.523 31.700 0.035 0.000 0.786 400 L N 0.036 121.257 121.223 -0.004 0.000 1.989 400 L HA -0.181 4.173 4.340 0.024 0.000 0.211 400 L C 2.390 179.237 176.870 -0.037 0.000 1.071 400 L CA 2.107 56.943 54.840 -0.007 0.000 0.749 400 L CB -0.940 41.131 42.059 0.020 0.000 0.890 400 L HN -0.018 nan 8.230 nan 0.000 0.431 401 C N 0.196 119.484 119.300 -0.020 0.000 2.419 401 C HA -0.104 4.370 4.460 0.024 0.000 0.281 401 C C 2.488 177.398 174.990 -0.133 0.000 1.336 401 C CA 0.742 59.714 59.018 -0.077 0.000 1.770 401 C CB -1.035 26.650 27.740 -0.091 0.000 1.929 401 C HN 0.588 nan 8.230 nan 0.000 0.509 402 E N 1.070 121.197 120.200 -0.122 0.000 2.072 402 E HA -0.096 4.268 4.350 0.024 0.000 0.190 402 E C 2.422 178.851 176.600 -0.286 0.000 0.982 402 E CA 1.161 57.476 56.400 -0.141 0.000 0.803 402 E CB -0.227 29.426 29.700 -0.078 0.000 0.755 402 E HN 0.661 nan 8.360 nan 0.000 0.453 403 A N 1.579 124.147 122.820 -0.419 0.000 1.877 403 A HA -0.193 4.142 4.320 0.024 0.000 0.216 403 A C 2.199 179.386 177.584 -0.662 0.000 1.186 403 A CA 1.152 52.609 52.037 -0.966 0.000 0.620 403 A CB -0.673 17.884 19.000 -0.739 0.000 0.822 403 A HN 0.126 nan 8.150 nan 0.000 0.443 404 I N -0.338 120.037 120.570 -0.325 0.000 2.127 404 I HA -0.240 3.944 4.170 0.024 0.000 0.241 404 I C 2.358 178.389 176.117 -0.145 0.000 1.075 404 I CA 1.421 62.612 61.300 -0.183 0.000 1.334 404 I CB -0.444 37.479 38.000 -0.128 0.000 1.040 404 I HN 0.161 nan 8.210 nan 0.000 0.405 405 V N 1.097 120.918 119.914 -0.154 0.000 2.407 405 V HA -0.192 3.942 4.120 0.024 0.000 0.248 405 V C 1.558 177.620 176.094 -0.055 0.000 1.055 405 V CA 1.346 63.595 62.300 -0.085 0.000 1.049 405 V CB -1.099 30.673 31.823 -0.084 0.000 0.662 405 V HN 0.440 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.258 121.223 0.059 0.000 2.949 409 L HA 0.000 4.354 4.340 0.024 0.000 0.249 409 L CA 0.000 54.889 54.840 0.082 0.000 0.813 409 L CB 0.000 42.127 42.059 0.113 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502