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 3nva_1_A DATA FIRST_RESID 2 DATA SEQUENCE PNKYIVVTGG VLSSVGKGTL VASIGMLLKR RGYNVTAVKI DPYINVDAGT DATA SEQUENCE MNPYMHGEVF VTEDGAETDL DLGHYERFMD VNMTKYNNIT AGKVYFEVIK DATA SEQUENCE KEREGKYLGQ TVQIIPHVTD QIKDMIRYAS KINNAEITLV EIGGTVGDIE DATA SEQUENCE SLPFLEAVRQ LKLEEGEDNV IFVHIALVEY LSVTGELKTK PLQHSVQELR DATA SEQUENCE RIGIQPDFIV GRATLPLDDE TRRKIALFTN VKVDHIVSSY DVETSYEVPI DATA SEQUENCE ILESQKLVSK ILSRLKLEDR QVDLTDWISF VNNIKGINSK KTINIALVGK DATA SEQUENCE YTKLKDSYIS IKEAIYHASA YIGVRPKLIW IESTDLESDT KNLNEILGNV DATA SEQUENCE NGIIVLPGFG SRGAEGKIKA IKYAREHNIP FLGICFGFQL SIVEFARDVL DATA SEQUENCE GLSEANSTEI NPNTKDPVIT LLDEQKNVTQ LGGTMRLGAQ KIILKEGTIA DATA SEQUENCE YQLYGKKVVY ERHRHRYEVN PKYVDILEDA GLVVSGISEN GLVEIIELPS DATA SEQUENCE NKFFVATQAH PEFKSRPTNP SPIYLGFIRA VAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.270 177.300 -0.049 0.000 1.155 2 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 2 P CB 0.000 31.697 31.700 -0.005 0.000 0.726 3 N N 1.576 120.240 118.700 -0.059 0.000 2.479 3 N HA 0.318 5.552 4.740 0.822 0.000 0.285 3 N C -0.335 175.012 175.510 -0.272 0.000 1.075 3 N CA -0.508 52.421 53.050 -0.202 0.000 0.967 3 N CB 1.106 39.452 38.487 -0.234 0.000 1.137 3 N HN 0.012 nan 8.380 nan 0.000 0.472 4 K N 1.991 122.160 120.400 -0.385 0.000 2.110 4 K HA 0.361 5.174 4.320 0.822 0.000 0.263 4 K C -1.112 175.127 176.600 -0.602 0.000 0.975 4 K CA -0.280 55.806 56.287 -0.334 0.000 0.895 4 K CB 1.071 33.419 32.500 -0.252 0.000 1.060 4 K HN 0.517 nan 8.250 nan 0.000 0.448 5 Y N 0.863 121.084 120.300 -0.131 0.000 2.373 5 Y HA 0.352 5.394 4.550 0.820 0.000 0.336 5 Y C -0.448 175.332 175.900 -0.199 0.000 0.979 5 Y CA -0.988 57.019 58.100 -0.154 0.000 1.080 5 Y CB 1.488 39.861 38.460 -0.146 0.000 1.190 5 Y HN 0.303 nan 8.280 nan 0.000 0.446 6 I N 4.226 124.758 120.570 -0.063 0.000 2.354 6 I HA 0.322 4.985 4.170 0.822 0.000 0.286 6 I C -0.668 175.377 176.117 -0.120 0.000 1.007 6 I CA -0.635 60.589 61.300 -0.127 0.000 1.167 6 I CB 1.249 39.162 38.000 -0.144 0.000 1.320 6 I HN 0.257 nan 8.210 nan 0.000 0.458 7 V N 7.254 127.041 119.914 -0.212 0.000 2.432 7 V HA 0.435 5.048 4.120 0.822 0.000 0.275 7 V C -0.012 176.086 176.094 0.008 0.000 1.043 7 V CA -0.614 61.611 62.300 -0.125 0.000 0.925 7 V CB 1.569 33.256 31.823 -0.228 0.000 0.985 7 V HN 0.383 nan 8.190 nan 0.000 0.466 8 V N 4.961 124.894 119.914 0.032 0.000 2.409 8 V HA 0.626 5.239 4.120 0.822 0.000 0.291 8 V C 0.253 176.385 176.094 0.063 0.000 1.020 8 V CA -0.329 61.996 62.300 0.042 0.000 0.848 8 V CB 1.961 33.770 31.823 -0.023 0.000 0.990 8 V HN 1.041 nan 8.190 nan 0.000 0.430 9 T N 1.073 115.688 114.554 0.102 0.000 2.926 9 T HA 0.954 5.797 4.350 0.822 0.000 0.289 9 T C 0.459 175.117 174.700 -0.071 0.000 1.054 9 T CA 0.170 62.339 62.100 0.116 0.000 1.015 9 T CB 2.156 71.204 68.868 0.300 0.000 1.167 9 T HN 1.569 nan 8.240 nan 0.000 0.526 10 G N 0.580 109.349 108.800 -0.050 0.000 2.955 10 G HA2 0.159 4.612 3.960 0.822 0.000 0.230 10 G HA3 0.159 4.612 3.960 0.822 0.000 0.230 10 G C 0.777 175.608 174.900 -0.114 0.000 1.587 10 G CA 0.098 45.069 45.100 -0.216 0.000 1.216 10 G HN 2.105 nan 8.290 nan 0.000 0.527 11 G N 0.830 109.536 108.800 -0.157 0.000 2.256 11 G HA2 0.186 4.639 3.960 0.822 0.000 0.269 11 G HA3 0.186 4.639 3.960 0.822 0.000 0.269 11 G C 1.538 176.406 174.900 -0.053 0.000 0.443 11 G CA 1.751 46.795 45.100 -0.094 0.000 1.051 11 G HN 2.305 nan 8.290 nan 0.000 0.442 12 V N 0.549 120.443 119.914 -0.034 0.000 3.140 12 V HA 0.231 4.844 4.120 0.822 0.000 0.269 12 V C 1.100 177.182 176.094 -0.020 0.000 1.149 12 V CA 1.882 64.173 62.300 -0.014 0.000 1.162 12 V CB -1.299 30.525 31.823 0.001 0.000 0.756 12 V HN 1.159 nan 8.190 nan 0.000 0.523 13 L N -3.796 117.409 121.223 -0.031 0.000 2.786 13 L HA 0.672 5.505 4.340 0.822 0.000 0.259 13 L C 1.129 177.977 176.870 -0.037 0.000 1.099 13 L CA 0.098 54.919 54.840 -0.031 0.000 0.995 13 L CB 0.804 42.844 42.059 -0.031 0.000 1.580 13 L HN -0.218 nan 8.230 nan 0.000 0.373 14 S N -0.247 115.432 115.700 -0.034 0.000 2.377 14 S HA -0.105 4.858 4.470 0.822 0.000 0.223 14 S C 1.848 176.426 174.600 -0.037 0.000 1.030 14 S CA 1.521 59.704 58.200 -0.029 0.000 0.970 14 S CB -0.607 62.581 63.200 -0.019 0.000 0.830 14 S HN 0.921 nan 8.310 nan 0.000 0.473 15 S N 0.862 116.541 115.700 -0.036 0.000 2.419 15 S HA -0.019 4.944 4.470 0.822 0.000 0.233 15 S C 1.731 176.306 174.600 -0.041 0.000 1.016 15 S CA 1.152 59.330 58.200 -0.035 0.000 0.974 15 S CB -0.766 62.417 63.200 -0.029 0.000 0.786 15 S HN 0.353 nan 8.310 nan 0.000 0.492 16 V N 1.528 121.415 119.914 -0.046 0.000 2.759 16 V HA 0.160 4.773 4.120 0.822 0.000 0.256 16 V C 2.116 178.167 176.094 -0.070 0.000 1.080 16 V CA 1.104 63.371 62.300 -0.054 0.000 1.101 16 V CB -1.436 30.352 31.823 -0.057 0.000 0.698 16 V HN 0.855 nan 8.190 nan 0.000 0.477 17 G N -0.454 108.299 108.800 -0.077 0.000 2.141 17 G HA2 -0.301 4.152 3.960 0.822 0.000 0.231 17 G HA3 -0.301 4.152 3.960 0.822 0.000 0.231 17 G C 0.849 175.677 174.900 -0.119 0.000 0.984 17 G CA 0.624 45.660 45.100 -0.107 0.000 0.660 17 G HN 0.385 nan 8.290 nan 0.000 0.525 18 K N 0.024 120.369 120.400 -0.092 0.000 2.001 18 K HA -0.200 4.613 4.320 0.822 0.000 0.223 18 K C 2.844 179.395 176.600 -0.081 0.000 1.055 18 K CA 2.345 58.583 56.287 -0.081 0.000 0.965 18 K CB -0.847 31.617 32.500 -0.059 0.000 0.730 18 K HN 0.538 nan 8.250 nan 0.000 0.449 19 G N 0.140 108.904 108.800 -0.060 0.000 2.547 19 G HA2 -0.358 4.095 3.960 0.822 0.000 0.221 19 G HA3 -0.358 4.095 3.960 0.822 0.000 0.221 19 G C 1.540 176.341 174.900 -0.164 0.000 1.140 19 G CA 2.100 47.185 45.100 -0.026 0.000 0.760 19 G HN 0.563 nan 8.290 nan 0.000 0.583 20 T N -0.734 113.601 114.554 -0.364 0.000 2.937 20 T HA 0.077 4.920 4.350 0.822 0.000 0.260 20 T C 2.319 176.744 174.700 -0.458 0.000 1.051 20 T CA 1.022 62.751 62.100 -0.618 0.000 1.141 20 T CB -0.230 68.280 68.868 -0.596 0.000 0.879 20 T HN 0.124 nan 8.240 nan 0.000 0.459 21 L N 1.834 122.897 121.223 -0.268 0.000 1.970 21 L HA -0.042 4.791 4.340 0.822 0.000 0.212 21 L C 2.598 179.351 176.870 -0.195 0.000 1.071 21 L CA 1.579 56.299 54.840 -0.200 0.000 0.751 21 L CB -0.906 41.065 42.059 -0.146 0.000 0.889 21 L HN 0.138 nan 8.230 nan 0.000 0.432 22 V N 0.344 120.167 119.914 -0.151 0.000 2.278 22 V HA -0.396 4.217 4.120 0.822 0.000 0.251 22 V C 2.809 178.798 176.094 -0.175 0.000 1.062 22 V CA 2.035 64.255 62.300 -0.133 0.000 1.038 22 V CB -1.503 30.299 31.823 -0.034 0.000 0.646 22 V HN 0.677 nan 8.190 nan 0.000 0.447 23 A N -0.860 121.847 122.820 -0.188 0.000 1.933 23 A HA -0.184 4.629 4.320 0.822 0.000 0.218 23 A C 2.453 179.873 177.584 -0.273 0.000 1.175 23 A CA 2.163 54.060 52.037 -0.233 0.000 0.628 23 A CB -0.551 18.152 19.000 -0.494 0.000 0.814 23 A HN 0.532 nan 8.150 nan 0.000 0.444 24 S N -0.078 115.418 115.700 -0.339 0.000 2.357 24 S HA -0.054 4.909 4.470 0.822 0.000 0.221 24 S C 1.817 176.348 174.600 -0.116 0.000 1.031 24 S CA 1.274 59.406 58.200 -0.113 0.000 0.982 24 S CB -0.468 62.687 63.200 -0.075 0.000 0.853 24 S HN 0.547 nan 8.310 nan 0.000 0.458 25 I N 1.776 122.254 120.570 -0.153 0.000 2.194 25 I HA -0.202 4.461 4.170 0.822 0.000 0.246 25 I C 2.665 178.690 176.117 -0.153 0.000 1.093 25 I CA 1.214 62.417 61.300 -0.161 0.000 1.355 25 I CB -1.218 36.670 38.000 -0.187 0.000 1.046 25 I HN 0.368 nan 8.210 nan 0.000 0.413 26 G N 1.229 109.935 108.800 -0.156 0.000 2.587 26 G HA2 -0.344 4.109 3.960 0.822 0.000 0.217 26 G HA3 -0.344 4.109 3.960 0.822 0.000 0.217 26 G C 1.642 176.481 174.900 -0.102 0.000 1.240 26 G CA 0.945 45.959 45.100 -0.143 0.000 0.794 26 G HN 0.281 nan 8.290 nan 0.000 0.580 27 M N 0.396 119.952 119.600 -0.073 0.000 2.192 27 M HA -0.048 4.925 4.480 0.822 0.000 0.259 27 M C 2.449 178.670 176.300 -0.132 0.000 1.071 27 M CA 1.500 56.744 55.300 -0.092 0.000 1.082 27 M CB -0.481 32.055 32.600 -0.107 0.000 1.373 27 M HN 0.281 nan 8.290 nan 0.000 0.408 28 L N -0.239 120.903 121.223 -0.134 0.000 2.156 28 L HA -0.185 4.648 4.340 0.822 0.000 0.208 28 L C 2.421 179.247 176.870 -0.072 0.000 1.095 28 L CA 0.668 55.435 54.840 -0.121 0.000 0.770 28 L CB -0.632 41.355 42.059 -0.120 0.000 0.914 28 L HN 0.332 nan 8.230 nan 0.000 0.439 29 L N 0.022 121.202 121.223 -0.071 0.000 2.005 29 L HA -0.223 4.610 4.340 0.822 0.000 0.207 29 L C 2.713 179.605 176.870 0.038 0.000 1.072 29 L CA 1.388 56.215 54.840 -0.022 0.000 0.744 29 L CB -0.578 41.431 42.059 -0.084 0.000 0.895 29 L HN 0.214 nan 8.230 nan 0.000 0.433 30 K N 0.379 120.772 120.400 -0.012 0.000 2.152 30 K HA -0.192 4.621 4.320 0.822 0.000 0.206 30 K C 2.258 178.848 176.600 -0.015 0.000 1.048 30 K CA 1.349 57.632 56.287 -0.006 0.000 0.933 30 K CB 0.033 32.515 32.500 -0.030 0.000 0.721 30 K HN 0.251 nan 8.250 nan 0.000 0.447 31 R N 0.381 120.861 120.500 -0.033 0.000 2.148 31 R HA -0.026 4.807 4.340 0.822 0.000 0.223 31 R C 1.166 177.448 176.300 -0.030 0.000 1.088 31 R CA 0.622 56.697 56.100 -0.040 0.000 0.985 31 R CB -0.034 30.230 30.300 -0.061 0.000 0.880 31 R HN 0.155 nan 8.270 nan 0.000 0.451 32 R N -0.805 119.694 120.500 -0.001 0.000 2.896 32 R HA 0.081 4.914 4.340 0.822 0.000 0.258 32 R C 1.798 178.024 176.300 -0.123 0.000 1.240 32 R CA 0.135 56.226 56.100 -0.015 0.000 1.109 32 R CB -0.177 30.186 30.300 0.104 0.000 1.081 32 R HN 0.089 nan 8.270 nan 0.000 0.562 33 G N -0.330 108.251 108.800 -0.365 0.000 2.501 33 G HA2 -0.183 4.270 3.960 0.822 0.000 0.220 33 G HA3 -0.183 4.270 3.960 0.822 0.000 0.220 33 G C -0.200 174.466 174.900 -0.389 0.000 1.114 33 G CA 0.760 45.579 45.100 -0.469 0.000 0.757 33 G HN 0.305 nan 8.290 nan 0.000 0.559 34 Y N 0.748 121.013 120.300 -0.059 0.000 2.304 34 Y HA 0.286 5.329 4.550 0.820 0.000 0.328 34 Y C 0.416 176.272 175.900 -0.073 0.000 1.123 34 Y CA -1.292 56.767 58.100 -0.069 0.000 1.218 34 Y CB 0.574 38.986 38.460 -0.080 0.000 1.207 34 Y HN -0.106 nan 8.280 nan 0.000 0.495 35 N N 2.609 121.362 118.700 0.090 0.000 2.442 35 N HA 0.327 5.560 4.740 0.822 0.000 0.265 35 N C -1.024 174.480 175.510 -0.010 0.000 1.138 35 N CA 0.074 53.134 53.050 0.016 0.000 0.956 35 N CB 1.137 39.618 38.487 -0.010 0.000 1.067 35 N HN 0.330 nan 8.380 nan 0.000 0.474 36 V N 0.316 120.207 119.914 -0.038 0.000 3.007 36 V HA 0.616 5.229 4.120 0.822 0.000 0.311 36 V C 0.265 176.303 176.094 -0.094 0.000 1.120 36 V CA -0.819 61.432 62.300 -0.082 0.000 0.980 36 V CB 2.129 33.901 31.823 -0.086 0.000 1.033 36 V HN 0.585 nan 8.190 nan 0.000 0.429 37 T N 0.882 115.359 114.554 -0.129 0.000 2.841 37 T HA 0.864 5.707 4.350 0.822 0.000 0.296 37 T C -1.258 173.315 174.700 -0.212 0.000 1.166 37 T CA 0.161 62.182 62.100 -0.132 0.000 1.007 37 T CB 1.938 70.753 68.868 -0.089 0.000 1.253 37 T HN 1.418 nan 8.240 nan 0.000 0.511 38 A N 1.490 124.136 122.820 -0.291 0.000 2.414 38 A HA 0.821 5.634 4.320 0.822 0.000 0.306 38 A C -1.446 175.939 177.584 -0.332 0.000 1.054 38 A CA -0.530 51.205 52.037 -0.504 0.000 0.724 38 A CB 1.721 20.034 19.000 -1.146 0.000 1.267 38 A HN 0.723 nan 8.150 nan 0.000 0.418 39 V N 1.761 121.560 119.914 -0.191 0.000 2.638 39 V HA 0.505 5.118 4.120 0.822 0.000 0.306 39 V C -0.416 175.721 176.094 0.072 0.000 1.052 39 V CA -0.739 61.569 62.300 0.013 0.000 0.885 39 V CB 1.867 33.716 31.823 0.044 0.000 0.999 39 V HN 0.933 nan 8.190 nan 0.000 0.424 40 K N 4.822 125.319 120.400 0.160 0.000 2.213 40 K HA 0.624 5.438 4.320 0.822 0.000 0.270 40 K C -1.043 175.528 176.600 -0.049 0.000 1.002 40 K CA -0.229 56.113 56.287 0.091 0.000 0.868 40 K CB 0.941 33.491 32.500 0.083 0.000 1.093 40 K HN 0.621 nan 8.250 nan 0.000 0.454 41 I N 3.774 124.262 120.570 -0.135 0.000 2.354 41 I HA 0.241 4.904 4.170 0.822 0.000 0.292 41 I C -0.537 175.322 176.117 -0.429 0.000 0.989 41 I CA -0.646 60.467 61.300 -0.311 0.000 1.188 41 I CB 1.619 39.377 38.000 -0.402 0.000 1.342 41 I HN 0.518 nan 8.210 nan 0.000 0.457 42 D N 8.892 128.961 120.400 -0.552 0.000 2.460 42 D HA 0.243 5.376 4.640 0.822 0.000 0.232 42 D C -2.063 173.767 176.300 -0.783 0.000 1.079 42 D CA -1.185 52.377 54.000 -0.730 0.000 0.864 42 D CB 2.117 42.252 40.800 -1.110 0.000 1.048 42 D HN 0.214 nan 8.370 nan 0.000 0.523 43 P HA -0.017 nan 4.420 nan 0.000 0.269 43 P C -0.444 176.855 177.300 -0.003 0.000 1.376 43 P CA 0.345 63.285 63.100 -0.265 0.000 0.775 43 P CB -0.531 31.102 31.700 -0.110 0.000 1.345 44 Y N -2.684 117.618 120.300 0.003 0.000 2.458 44 Y HA 0.396 5.433 4.550 0.813 0.000 0.322 44 Y C 1.144 177.085 175.900 0.068 0.000 1.259 44 Y CA -1.533 56.580 58.100 0.022 0.000 1.302 44 Y CB 0.037 38.471 38.460 -0.044 0.000 1.314 44 Y HN -0.333 nan 8.280 nan 0.000 0.509 45 I N 0.832 121.617 120.570 0.357 0.000 3.427 45 I HA 0.024 4.687 4.170 0.822 0.000 0.288 45 I C -0.239 176.004 176.117 0.210 0.000 1.249 45 I CA -0.584 60.860 61.300 0.241 0.000 1.421 45 I CB -1.951 36.122 38.000 0.121 0.000 1.086 45 I HN 0.623 nan 8.210 nan 0.000 0.448 46 N N 0.590 119.412 118.700 0.203 0.000 2.407 46 N HA 0.017 5.251 4.740 0.822 0.000 0.250 46 N C 1.407 177.032 175.510 0.191 0.000 1.236 46 N CA 0.034 53.139 53.050 0.092 0.000 0.879 46 N CB 1.183 39.592 38.487 -0.129 0.000 1.088 46 N HN -0.163 nan 8.380 nan 0.000 0.450 47 V N 0.246 120.212 119.914 0.086 0.000 2.453 47 V HA -0.116 4.497 4.120 0.822 0.000 0.247 47 V C 0.574 176.708 176.094 0.068 0.000 1.048 47 V CA 1.761 64.095 62.300 0.058 0.000 1.049 47 V CB -0.870 30.915 31.823 -0.064 0.000 0.672 47 V HN 0.929 nan 8.190 nan 0.000 0.457 48 D N -2.347 118.087 120.400 0.057 0.000 2.812 48 D HA 0.467 5.600 4.640 0.822 0.000 0.318 48 D C 0.265 176.599 176.300 0.056 0.000 1.234 48 D CA 0.071 54.108 54.000 0.063 0.000 0.989 48 D CB 1.156 41.956 40.800 -0.001 0.000 1.442 48 D HN -0.059 nan 8.370 nan 0.000 0.537 49 A N -0.827 122.015 122.820 0.036 0.000 2.275 49 A HA 0.440 5.253 4.320 0.822 0.000 0.212 49 A C 1.684 179.250 177.584 -0.030 0.000 1.201 49 A CA 0.699 52.734 52.037 -0.004 0.000 0.843 49 A CB -0.968 18.043 19.000 0.018 0.000 0.873 49 A HN 0.595 nan 8.150 nan 0.000 0.492 50 G N -0.113 108.672 108.800 -0.025 0.000 2.598 50 G HA2 -0.059 4.394 3.960 0.822 0.000 0.215 50 G HA3 -0.059 4.394 3.960 0.822 0.000 0.215 50 G C 1.343 176.233 174.900 -0.018 0.000 1.131 50 G CA 1.580 46.668 45.100 -0.021 0.000 0.785 50 G HN 0.639 nan 8.290 nan 0.000 0.539 51 T N -2.671 111.865 114.554 -0.030 0.000 3.086 51 T HA 0.438 5.281 4.350 0.822 0.000 0.250 51 T C 0.864 175.552 174.700 -0.020 0.000 1.074 51 T CA -0.287 61.799 62.100 -0.023 0.000 0.988 51 T CB 0.062 68.912 68.868 -0.030 0.000 0.988 51 T HN 0.059 nan 8.240 nan 0.000 0.530 52 M N 2.968 122.555 119.600 -0.022 0.000 2.233 52 M HA 0.364 5.337 4.480 0.822 0.000 0.355 52 M C -0.067 176.261 176.300 0.046 0.000 1.191 52 M CA -0.762 54.556 55.300 0.030 0.000 1.101 52 M CB 1.103 33.704 32.600 0.002 0.000 1.592 52 M HN 0.023 nan 8.290 nan 0.000 0.461 53 N N 4.660 123.392 118.700 0.053 0.000 2.438 53 N HA 0.110 5.343 4.740 0.822 0.000 0.267 53 N C -2.145 173.216 175.510 -0.250 0.000 1.222 53 N CA -1.553 51.439 53.050 -0.097 0.000 0.930 53 N CB 0.863 39.272 38.487 -0.129 0.000 1.083 53 N HN 0.261 nan 8.380 nan 0.000 0.476 54 P HA -0.073 nan 4.420 nan 0.000 0.226 54 P C -0.235 176.761 177.300 -0.507 0.000 1.153 54 P CA 0.681 63.608 63.100 -0.289 0.000 0.777 54 P CB -0.160 31.412 31.700 -0.215 0.000 0.794 55 Y N -0.257 119.450 120.300 -0.988 0.000 2.457 55 Y HA 0.125 5.168 4.550 0.822 0.000 0.341 55 Y C 1.830 177.271 175.900 -0.765 0.000 1.240 55 Y CA 0.099 57.607 58.100 -0.986 0.000 1.437 55 Y CB 0.266 37.968 38.460 -1.263 0.000 1.328 55 Y HN -0.214 nan 8.280 nan 0.000 0.588 56 M N 1.248 120.046 119.600 -1.337 0.000 2.848 56 M HA -0.462 4.511 4.480 0.822 0.000 0.162 56 M C 0.539 176.611 176.300 -0.381 0.000 0.676 56 M CA 2.710 57.487 55.300 -0.873 0.000 0.620 56 M CB -1.135 31.104 32.600 -0.601 0.000 2.258 56 M HN 0.991 nan 8.290 nan 0.000 0.266 57 H N -1.344 117.551 119.070 -0.292 0.000 2.800 57 H HA 0.544 5.589 4.556 0.815 0.000 0.257 57 H C 1.014 176.232 175.328 -0.184 0.000 0.967 57 H CA -0.017 55.910 56.048 -0.201 0.000 1.192 57 H CB 0.765 30.422 29.762 -0.175 0.000 1.441 57 H HN 0.636 nan 8.280 nan 0.000 0.461 58 G N 1.386 110.096 108.800 -0.151 0.000 2.603 58 G HA2 -0.220 4.233 3.960 0.822 0.000 0.686 58 G HA3 -0.220 4.233 3.960 0.822 0.000 0.686 58 G C -0.816 174.012 174.900 -0.120 0.000 1.286 58 G CA -0.483 44.529 45.100 -0.147 0.000 0.871 58 G HN 0.363 nan 8.290 nan 0.000 0.568 59 E N -0.431 119.705 120.200 -0.107 0.000 2.414 59 E HA 0.278 5.121 4.350 0.822 0.000 0.263 59 E C 0.427 177.030 176.600 0.005 0.000 1.000 59 E CA -0.285 56.085 56.400 -0.051 0.000 0.914 59 E CB 0.729 30.447 29.700 0.030 0.000 0.948 59 E HN 0.567 nan 8.360 nan 0.000 0.444 60 V N 6.298 126.218 119.914 0.010 0.000 2.508 60 V HA 0.075 4.688 4.120 0.822 0.000 0.281 60 V C 0.232 176.302 176.094 -0.040 0.000 1.041 60 V CA -0.113 62.183 62.300 -0.007 0.000 1.016 60 V CB -0.082 31.724 31.823 -0.028 0.000 0.984 60 V HN 0.525 nan 8.190 nan 0.000 0.478 61 F N 5.521 125.299 119.950 -0.287 0.000 2.371 61 F HA 0.585 5.153 4.527 0.069 0.000 0.329 61 F C 0.079 175.497 175.800 -0.637 0.000 1.107 61 F CA -0.187 57.458 58.000 -0.592 0.000 1.137 61 F CB 1.370 40.111 39.000 -0.431 0.000 1.214 61 F HN 0.228 nan 8.300 nan 0.000 0.536 62 V N 3.814 122.690 119.914 -1.730 0.000 2.487 62 V HA 0.325 4.938 4.120 0.822 0.000 0.298 62 V C -0.211 175.402 176.094 -0.802 0.000 1.028 62 V CA -0.752 60.978 62.300 -0.950 0.000 0.860 62 V CB 1.696 33.143 31.823 -0.626 0.000 0.991 62 V HN 0.917 nan 8.190 nan 0.000 0.427 63 T N 0.878 115.263 114.554 -0.281 0.000 2.849 63 T HA 0.292 5.135 4.350 0.822 0.000 0.284 63 T C 1.051 175.718 174.700 -0.055 0.000 1.004 63 T CA -0.568 61.485 62.100 -0.078 0.000 1.021 63 T CB 1.268 70.154 68.868 0.030 0.000 1.013 63 T HN 0.576 nan 8.240 nan 0.000 0.527 64 E N 1.332 121.541 120.200 0.015 0.000 2.114 64 E HA -0.198 4.646 4.350 0.822 0.000 0.199 64 E C 1.653 178.266 176.600 0.022 0.000 1.008 64 E CA 1.929 58.348 56.400 0.032 0.000 0.810 64 E CB -0.368 29.356 29.700 0.040 0.000 0.739 64 E HN 0.916 nan 8.360 nan 0.000 0.456 65 D N -1.189 119.218 120.400 0.011 0.000 2.363 65 D HA 0.019 5.153 4.640 0.822 0.000 0.226 65 D C 1.210 177.502 176.300 -0.015 0.000 1.020 65 D CA 0.916 54.917 54.000 0.001 0.000 0.892 65 D CB -0.038 40.761 40.800 -0.002 0.000 0.900 65 D HN 0.223 nan 8.370 nan 0.000 0.531 66 G N -0.858 107.929 108.800 -0.022 0.000 2.157 66 G HA2 -0.114 4.339 3.960 0.822 0.000 0.239 66 G HA3 -0.114 4.339 3.960 0.822 0.000 0.239 66 G C 0.414 175.284 174.900 -0.051 0.000 0.982 66 G CA 0.022 45.106 45.100 -0.026 0.000 0.650 66 G HN 0.812 nan 8.290 nan 0.000 0.527 67 A N 0.066 122.847 122.820 -0.066 0.000 2.440 67 A HA 0.621 5.434 4.320 0.822 0.000 0.251 67 A C 0.321 177.856 177.584 -0.081 0.000 1.089 67 A CA 0.225 52.218 52.037 -0.072 0.000 0.779 67 A CB 0.309 19.264 19.000 -0.075 0.000 1.022 67 A HN 0.463 nan 8.150 nan 0.000 0.492 68 E N 1.349 121.510 120.200 -0.065 0.000 2.081 68 E HA 0.458 5.301 4.350 0.822 0.000 0.276 68 E C 0.132 176.713 176.600 -0.032 0.000 0.950 68 E CA -0.231 56.129 56.400 -0.067 0.000 0.776 68 E CB 1.329 31.000 29.700 -0.049 0.000 1.094 68 E HN 0.802 nan 8.360 nan 0.000 0.402 69 T N -0.522 114.020 114.554 -0.020 0.000 2.804 69 T HA 0.299 5.142 4.350 0.822 0.000 0.290 69 T C -0.384 174.325 174.700 0.015 0.000 1.099 69 T CA -1.088 61.020 62.100 0.014 0.000 1.011 69 T CB 1.341 70.226 68.868 0.029 0.000 1.291 69 T HN 0.251 nan 8.240 nan 0.000 0.523 70 D N 0.032 120.429 120.400 -0.004 0.000 2.443 70 D HA 0.200 5.333 4.640 0.822 0.000 0.239 70 D C 1.637 177.844 176.300 -0.155 0.000 1.136 70 D CA -0.308 53.663 54.000 -0.048 0.000 0.879 70 D CB 0.632 41.394 40.800 -0.064 0.000 1.195 70 D HN 0.574 nan 8.370 nan 0.000 0.443 71 L N 1.173 122.292 121.223 -0.172 0.000 2.265 71 L HA -0.005 4.828 4.340 0.822 0.000 0.215 71 L C 1.313 177.834 176.870 -0.582 0.000 1.117 71 L CA 1.305 55.965 54.840 -0.299 0.000 0.782 71 L CB -0.583 41.348 42.059 -0.214 0.000 0.914 71 L HN 0.310 nan 8.230 nan 0.000 0.441 72 D N 0.746 120.845 120.400 -0.502 0.000 2.221 72 D HA -0.145 4.988 4.640 0.822 0.000 0.204 72 D C 2.247 177.857 176.300 -1.149 0.000 0.982 72 D CA 1.211 54.810 54.000 -0.669 0.000 0.857 72 D CB -0.080 40.424 40.800 -0.493 0.000 0.934 72 D HN 0.417 nan 8.370 nan 0.000 0.475 73 L N 0.148 120.803 121.223 -0.947 0.000 2.201 73 L HA -0.046 4.787 4.340 0.822 0.000 0.212 73 L C 2.472 178.755 176.870 -0.980 0.000 1.105 73 L CA 1.207 55.548 54.840 -0.832 0.000 0.775 73 L CB -1.021 40.805 42.059 -0.388 0.000 0.913 73 L HN 0.079 nan 8.230 nan 0.000 0.440 74 G N -0.900 107.021 108.800 -1.465 0.000 2.421 74 G HA2 -0.258 4.195 3.960 0.822 0.000 0.216 74 G HA3 -0.258 4.195 3.960 0.822 0.000 0.216 74 G C 1.338 176.016 174.900 -0.370 0.000 1.171 74 G CA 0.364 44.680 45.100 -1.307 0.000 0.775 74 G HN 0.354 nan 8.290 nan 0.000 0.543 75 H N -0.192 118.716 119.070 -0.270 0.000 2.352 75 H HA -0.079 5.028 4.556 0.918 0.000 0.299 75 H C 2.419 177.839 175.328 0.153 0.000 1.097 75 H CA 1.297 57.351 56.048 0.009 0.000 1.311 75 H CB -0.534 29.114 29.762 -0.191 0.000 1.377 75 H HN 0.416 nan 8.280 nan 0.000 0.504 76 Y N 1.211 121.537 120.300 0.044 0.000 2.200 76 Y HA -0.101 4.967 4.550 0.864 0.000 0.290 76 Y C 2.548 178.512 175.900 0.106 0.000 1.137 76 Y CA 0.476 58.599 58.100 0.038 0.000 1.163 76 Y CB -0.623 37.815 38.460 -0.037 0.000 0.988 76 Y HN 0.289 nan 8.280 nan 0.000 0.518 77 E N 0.042 120.359 120.200 0.195 0.000 2.028 77 E HA -0.187 4.656 4.350 0.822 0.000 0.191 77 E C 2.328 179.067 176.600 0.231 0.000 0.988 77 E CA 0.989 57.505 56.400 0.193 0.000 0.799 77 E CB -0.183 29.636 29.700 0.199 0.000 0.755 77 E HN 0.423 nan 8.360 nan 0.000 0.447 78 R N -0.102 120.580 120.500 0.304 0.000 2.083 78 R HA -0.147 4.686 4.340 0.822 0.000 0.237 78 R C 2.238 178.697 176.300 0.265 0.000 1.137 78 R CA 1.481 57.769 56.100 0.312 0.000 0.951 78 R CB -0.303 30.294 30.300 0.495 0.000 0.851 78 R HN 0.138 nan 8.270 nan 0.000 0.434 79 F N -0.012 120.088 119.950 0.249 0.000 2.128 79 F HA -0.039 4.965 4.527 0.795 0.000 0.295 79 F C 2.196 178.006 175.800 0.017 0.000 1.100 79 F CA 1.256 59.359 58.000 0.171 0.000 1.260 79 F CB -0.093 38.996 39.000 0.149 0.000 1.009 79 F HN -0.088 nan 8.300 nan 0.000 0.476 80 M N -1.207 118.525 119.600 0.219 0.000 2.465 80 M HA 0.088 5.061 4.480 0.822 0.000 0.249 80 M C -0.216 176.117 176.300 0.054 0.000 1.130 80 M CA 0.318 55.668 55.300 0.083 0.000 1.067 80 M CB 0.103 32.739 32.600 0.060 0.000 1.394 80 M HN -0.058 nan 8.290 nan 0.000 0.483 81 D N 1.686 122.135 120.400 0.081 0.000 2.760 81 D HA -0.108 5.025 4.640 0.822 0.000 0.244 81 D C -0.958 175.374 176.300 0.054 0.000 1.123 81 D CA 0.402 54.433 54.000 0.052 0.000 0.719 81 D CB -0.536 40.269 40.800 0.009 0.000 1.045 81 D HN 0.278 nan 8.370 nan 0.000 0.426 82 V N -1.763 118.199 119.914 0.080 0.000 3.040 82 V HA 0.724 5.337 4.120 0.822 0.000 0.312 82 V C 0.238 176.394 176.094 0.104 0.000 1.115 82 V CA -1.228 61.116 62.300 0.073 0.000 0.998 82 V CB 2.181 34.037 31.823 0.055 0.000 1.042 82 V HN 0.138 nan 8.190 nan 0.000 0.433 83 N N 2.984 121.740 118.700 0.093 0.000 2.444 83 N HA 0.439 5.672 4.740 0.822 0.000 0.271 83 N C -0.270 175.311 175.510 0.118 0.000 1.069 83 N CA -0.319 52.801 53.050 0.116 0.000 0.965 83 N CB 1.167 39.707 38.487 0.088 0.000 1.092 83 N HN 0.669 nan 8.380 nan 0.000 0.476 84 M N 0.582 120.275 119.600 0.155 0.000 2.197 84 M HA 0.254 5.227 4.480 0.822 0.000 0.305 84 M C 1.048 177.423 176.300 0.124 0.000 1.162 84 M CA -0.227 55.162 55.300 0.147 0.000 1.099 84 M CB 0.782 33.486 32.600 0.174 0.000 1.430 84 M HN 0.571 nan 8.290 nan 0.000 0.481 85 T N -2.454 112.171 114.554 0.117 0.000 2.888 85 T HA 0.422 5.265 4.350 0.822 0.000 0.288 85 T C 0.788 175.494 174.700 0.009 0.000 1.063 85 T CA -0.912 61.240 62.100 0.086 0.000 1.010 85 T CB 1.590 70.571 68.868 0.189 0.000 1.214 85 T HN 0.781 nan 8.240 nan 0.000 0.533 86 K N -0.085 120.223 120.400 -0.154 0.000 2.211 86 K HA -0.175 4.638 4.320 0.822 0.000 0.204 86 K C 1.247 177.681 176.600 -0.276 0.000 1.047 86 K CA 1.585 57.707 56.287 -0.275 0.000 0.935 86 K CB -0.757 31.476 32.500 -0.446 0.000 0.728 86 K HN 0.725 nan 8.250 nan 0.000 0.452 87 Y N 1.334 121.704 120.300 0.118 0.000 2.509 87 Y HA -0.003 5.042 4.550 0.825 0.000 0.293 87 Y C 1.167 177.134 175.900 0.113 0.000 1.133 87 Y CA 0.731 58.919 58.100 0.147 0.000 1.283 87 Y CB -0.196 38.413 38.460 0.248 0.000 1.001 87 Y HN 0.226 nan 8.280 nan 0.000 0.555 88 N N -0.144 118.665 118.700 0.182 0.000 2.412 88 N HA -0.059 5.174 4.740 0.822 0.000 0.184 88 N C -0.125 175.458 175.510 0.122 0.000 1.101 88 N CA 0.167 53.309 53.050 0.153 0.000 0.881 88 N CB 0.133 38.713 38.487 0.156 0.000 0.969 88 N HN 0.242 nan 8.380 nan 0.000 0.459 89 N N 0.873 119.618 118.700 0.076 0.000 2.564 89 N HA 0.282 5.515 4.740 0.822 0.000 0.248 89 N C -1.298 174.220 175.510 0.014 0.000 0.986 89 N CA -0.292 52.774 53.050 0.027 0.000 0.921 89 N CB 0.714 39.202 38.487 0.002 0.000 1.136 89 N HN -0.045 nan 8.380 nan 0.000 0.509 90 I N 2.929 123.498 120.570 -0.002 0.000 2.304 90 I HA 0.139 4.802 4.170 0.822 0.000 0.291 90 I C 0.648 176.714 176.117 -0.084 0.000 1.018 90 I CA -0.438 60.869 61.300 0.012 0.000 1.260 90 I CB 1.393 39.432 38.000 0.065 0.000 1.390 90 I HN 0.415 nan 8.210 nan 0.000 0.475 91 T N 2.522 117.056 114.554 -0.033 0.000 2.859 91 T HA 0.516 5.359 4.350 0.822 0.000 0.281 91 T C 1.057 175.824 174.700 0.112 0.000 1.005 91 T CA -0.445 61.603 62.100 -0.087 0.000 1.025 91 T CB 2.021 70.866 68.868 -0.039 0.000 0.977 91 T HN 0.609 nan 8.240 nan 0.000 0.458 92 A N 3.024 125.946 122.820 0.172 0.000 1.986 92 A HA 0.064 4.877 4.320 0.822 0.000 0.220 92 A C 2.389 180.204 177.584 0.386 0.000 1.171 92 A CA 2.160 54.445 52.037 0.413 0.000 0.640 92 A CB -1.618 17.669 19.000 0.479 0.000 0.811 92 A HN 1.187 nan 8.150 nan 0.000 0.451 93 G N -0.407 108.571 108.800 0.297 0.000 2.440 93 G HA2 -0.281 4.172 3.960 0.822 0.000 0.218 93 G HA3 -0.281 4.172 3.960 0.822 0.000 0.218 93 G C 1.639 176.702 174.900 0.272 0.000 1.154 93 G CA 1.539 46.808 45.100 0.282 0.000 0.767 93 G HN 0.562 nan 8.290 nan 0.000 0.552 94 K N 0.298 120.823 120.400 0.208 0.000 2.076 94 K HA 0.094 4.907 4.320 0.822 0.000 0.204 94 K C 2.525 179.263 176.600 0.229 0.000 1.051 94 K CA 0.902 57.308 56.287 0.198 0.000 0.949 94 K CB -0.604 31.969 32.500 0.122 0.000 0.726 94 K HN 0.146 nan 8.250 nan 0.000 0.443 95 V N 0.564 120.577 119.914 0.165 0.000 2.255 95 V HA -0.277 4.336 4.120 0.822 0.000 0.247 95 V C 2.017 178.137 176.094 0.044 0.000 1.051 95 V CA 1.991 64.326 62.300 0.058 0.000 1.018 95 V CB -0.698 31.086 31.823 -0.066 0.000 0.641 95 V HN 0.239 nan 8.190 nan 0.000 0.445 96 Y N -0.966 119.412 120.300 0.131 0.000 2.200 96 Y HA -0.174 4.868 4.550 0.820 0.000 0.290 96 Y C 2.244 178.216 175.900 0.120 0.000 1.137 96 Y CA 1.622 59.782 58.100 0.099 0.000 1.163 96 Y CB -0.739 37.778 38.460 0.095 0.000 0.988 96 Y HN 0.252 nan 8.280 nan 0.000 0.518 97 F N 1.128 121.198 119.950 0.201 0.000 2.095 97 F HA -0.245 4.777 4.527 0.825 0.000 0.298 97 F C 2.232 178.094 175.800 0.104 0.000 1.104 97 F CA 1.851 59.928 58.000 0.128 0.000 1.232 97 F CB -0.185 38.874 39.000 0.100 0.000 0.987 97 F HN -0.041 nan 8.300 nan 0.000 0.475 98 E N 0.155 120.446 120.200 0.151 0.000 2.047 98 E HA -0.142 4.702 4.350 0.822 0.000 0.191 98 E C 2.539 179.144 176.600 0.008 0.000 0.987 98 E CA 1.450 57.878 56.400 0.046 0.000 0.799 98 E CB -0.801 28.978 29.700 0.132 0.000 0.752 98 E HN 0.358 nan 8.360 nan 0.000 0.449 99 V N 1.673 121.627 119.914 0.067 0.000 2.343 99 V HA -0.234 4.379 4.120 0.822 0.000 0.247 99 V C 2.457 178.611 176.094 0.101 0.000 1.051 99 V CA 1.368 63.742 62.300 0.124 0.000 1.036 99 V CB -0.399 31.454 31.823 0.050 0.000 0.654 99 V HN 0.205 nan 8.190 nan 0.000 0.451 100 I N -0.303 120.280 120.570 0.020 0.000 2.226 100 I HA -0.261 4.402 4.170 0.822 0.000 0.245 100 I C 2.597 178.666 176.117 -0.079 0.000 1.100 100 I CA 1.753 63.039 61.300 -0.023 0.000 1.374 100 I CB -0.323 37.658 38.000 -0.031 0.000 1.057 100 I HN 0.287 nan 8.210 nan 0.000 0.413 101 K N 1.344 121.621 120.400 -0.204 0.000 2.057 101 K HA -0.205 4.608 4.320 0.822 0.000 0.206 101 K C 2.103 178.644 176.600 -0.099 0.000 1.050 101 K CA 1.459 57.602 56.287 -0.240 0.000 0.935 101 K CB 0.069 32.300 32.500 -0.448 0.000 0.715 101 K HN 0.109 nan 8.250 nan 0.000 0.439 102 K N 0.692 121.069 120.400 -0.039 0.000 2.147 102 K HA -0.152 4.661 4.320 0.822 0.000 0.205 102 K C 2.136 178.768 176.600 0.053 0.000 1.049 102 K CA 1.353 57.619 56.287 -0.036 0.000 0.936 102 K CB 0.011 32.462 32.500 -0.082 0.000 0.722 102 K HN 0.213 nan 8.250 nan 0.000 0.446 103 E N 0.901 121.241 120.200 0.232 0.000 2.028 103 E HA -0.180 4.663 4.350 0.822 0.000 0.191 103 E C 1.665 178.306 176.600 0.068 0.000 0.988 103 E CA 1.065 57.605 56.400 0.232 0.000 0.799 103 E CB 0.171 29.922 29.700 0.084 0.000 0.755 103 E HN 0.039 nan 8.360 nan 0.000 0.447 104 R N 0.821 121.329 120.500 0.012 0.000 2.303 104 R HA -0.055 4.778 4.340 0.822 0.000 0.225 104 R C 1.456 177.745 176.300 -0.017 0.000 1.114 104 R CA 0.624 56.715 56.100 -0.014 0.000 1.007 104 R CB -0.409 29.870 30.300 -0.035 0.000 0.861 104 R HN 0.398 nan 8.270 nan 0.000 0.471 105 E N -0.748 119.439 120.200 -0.020 0.000 2.476 105 E HA 0.134 4.977 4.350 0.822 0.000 0.196 105 E C 0.479 177.059 176.600 -0.033 0.000 1.029 105 E CA 0.218 56.597 56.400 -0.034 0.000 0.896 105 E CB 0.423 30.090 29.700 -0.056 0.000 1.012 105 E HN 0.359 nan 8.360 nan 0.000 0.475 106 G N 2.543 111.336 108.800 -0.011 0.000 2.296 106 G HA2 -0.341 4.112 3.960 0.822 0.000 0.282 106 G HA3 -0.341 4.112 3.960 0.822 0.000 0.282 106 G C 1.010 175.884 174.900 -0.044 0.000 1.014 106 G CA 0.634 45.731 45.100 -0.006 0.000 0.812 106 G HN 0.147 nan 8.290 nan 0.000 0.508 107 K N -0.996 119.336 120.400 -0.113 0.000 2.283 107 K HA -0.034 4.779 4.320 0.822 0.000 0.202 107 K C 1.251 177.659 176.600 -0.320 0.000 1.048 107 K CA 1.018 57.156 56.287 -0.248 0.000 0.948 107 K CB -0.048 32.221 32.500 -0.385 0.000 0.742 107 K HN 0.650 nan 8.250 nan 0.000 0.458 108 Y N 0.958 121.227 120.300 -0.052 0.000 2.537 108 Y HA 0.112 5.154 4.550 0.821 0.000 0.303 108 Y C 0.195 176.067 175.900 -0.045 0.000 1.176 108 Y CA -0.580 57.484 58.100 -0.059 0.000 1.273 108 Y CB -0.052 38.323 38.460 -0.141 0.000 1.110 108 Y HN -0.196 nan 8.280 nan 0.000 0.518 109 L N 1.010 122.263 121.223 0.050 0.000 3.965 109 L HA -0.308 4.525 4.340 0.822 0.000 0.476 109 L C 1.395 178.287 176.870 0.037 0.000 1.201 109 L CA 1.428 56.287 54.840 0.031 0.000 0.710 109 L CB -2.042 40.032 42.059 0.024 0.000 1.509 109 L HN 0.736 nan 8.230 nan 0.000 0.815 110 G N -0.599 108.220 108.800 0.031 0.000 2.189 110 G HA2 -0.350 4.103 3.960 0.822 0.000 0.267 110 G HA3 -0.350 4.103 3.960 0.822 0.000 0.267 110 G C 0.558 175.464 174.900 0.010 0.000 0.975 110 G CA 0.761 45.870 45.100 0.016 0.000 0.644 110 G HN 0.612 nan 8.290 nan 0.000 0.537 111 Q N 0.353 120.165 119.800 0.020 0.000 2.392 111 Q HA 0.459 5.292 4.340 0.822 0.000 0.262 111 Q C 0.614 176.567 176.000 -0.079 0.000 1.003 111 Q CA 0.631 56.431 55.803 -0.005 0.000 0.888 111 Q CB 0.726 29.482 28.738 0.030 0.000 1.260 111 Q HN 0.214 nan 8.270 nan 0.000 0.435 112 T N 1.539 116.055 114.554 -0.064 0.000 2.738 112 T HA 0.248 5.092 4.350 0.822 0.000 0.294 112 T C -0.396 174.193 174.700 -0.185 0.000 0.914 112 T CA -0.693 61.349 62.100 -0.096 0.000 1.052 112 T CB -0.203 68.641 68.868 -0.040 0.000 0.897 112 T HN 0.328 nan 8.240 nan 0.000 0.522 113 V N 7.125 126.823 119.914 -0.360 0.000 2.508 113 V HA 0.312 4.925 4.120 0.822 0.000 0.281 113 V C 0.418 176.382 176.094 -0.217 0.000 1.041 113 V CA -0.186 61.705 62.300 -0.682 0.000 1.016 113 V CB 0.806 32.132 31.823 -0.828 0.000 0.984 113 V HN 0.869 nan 8.190 nan 0.000 0.478 114 Q N 2.771 122.653 119.800 0.136 0.000 2.484 114 Q HA 0.483 5.316 4.340 0.822 0.000 0.285 114 Q C 0.540 176.582 176.000 0.069 0.000 1.097 114 Q CA -1.076 54.787 55.803 0.100 0.000 0.802 114 Q CB 2.065 30.851 28.738 0.080 0.000 1.444 114 Q HN 0.380 nan 8.270 nan 0.000 0.429 115 I N 0.410 120.992 120.570 0.021 0.000 2.074 115 I HA -0.233 4.430 4.170 0.822 0.000 0.238 115 I C 1.006 177.083 176.117 -0.068 0.000 1.037 115 I CA 1.927 63.212 61.300 -0.026 0.000 1.301 115 I CB -0.532 37.462 38.000 -0.010 0.000 1.016 115 I HN 0.556 nan 8.210 nan 0.000 0.400 116 I N 2.355 122.889 120.570 -0.060 0.000 2.336 116 I HA 0.137 4.800 4.170 0.822 0.000 0.292 116 I C -1.650 174.385 176.117 -0.136 0.000 0.991 116 I CA -1.190 60.049 61.300 -0.102 0.000 1.227 116 I CB 1.857 39.807 38.000 -0.082 0.000 1.366 116 I HN 0.030 nan 8.210 nan 0.000 0.466 117 P HA 0.185 nan 4.420 nan 0.000 0.274 117 P C 0.606 177.704 177.300 -0.337 0.000 1.352 117 P CA 0.319 63.238 63.100 -0.301 0.000 0.947 117 P CB 0.190 31.705 31.700 -0.307 0.000 1.437 118 H N -0.517 118.485 119.070 -0.114 0.000 2.363 118 H HA -0.044 5.005 4.556 0.821 0.000 0.301 118 H C 2.004 177.256 175.328 -0.125 0.000 1.074 118 H CA 1.281 57.253 56.048 -0.127 0.000 1.354 118 H CB -0.895 28.684 29.762 -0.305 0.000 1.397 118 H HN -0.148 nan 8.280 nan 0.000 0.516 119 V N 0.718 120.586 119.914 -0.077 0.000 2.270 119 V HA -0.264 4.349 4.120 0.822 0.000 0.245 119 V C 2.603 178.564 176.094 -0.221 0.000 1.043 119 V CA 2.225 64.404 62.300 -0.201 0.000 1.014 119 V CB -0.959 30.685 31.823 -0.299 0.000 0.645 119 V HN 0.702 nan 8.190 nan 0.000 0.447 120 T N -2.172 112.262 114.554 -0.199 0.000 2.881 120 T HA -0.217 4.626 4.350 0.822 0.000 0.270 120 T C 1.456 176.081 174.700 -0.125 0.000 1.068 120 T CA 1.654 63.644 62.100 -0.183 0.000 1.131 120 T CB -0.432 68.347 68.868 -0.148 0.000 0.871 120 T HN 0.418 nan 8.240 nan 0.000 0.479 121 D N 1.021 121.362 120.400 -0.098 0.000 2.123 121 D HA -0.038 5.095 4.640 0.822 0.000 0.200 121 D C 2.252 178.536 176.300 -0.027 0.000 0.976 121 D CA 1.104 55.072 54.000 -0.053 0.000 0.831 121 D CB -0.546 40.237 40.800 -0.029 0.000 0.974 121 D HN 0.437 nan 8.370 nan 0.000 0.469 122 Q N 0.745 120.531 119.800 -0.024 0.000 2.061 122 Q HA -0.111 4.722 4.340 0.822 0.000 0.204 122 Q C 2.045 178.036 176.000 -0.015 0.000 0.984 122 Q CA 1.283 57.082 55.803 -0.007 0.000 0.846 122 Q CB -0.455 28.275 28.738 -0.014 0.000 0.902 122 Q HN 0.319 nan 8.270 nan 0.000 0.421 123 I N 0.057 120.589 120.570 -0.064 0.000 2.226 123 I HA -0.297 4.366 4.170 0.822 0.000 0.245 123 I C 2.277 178.399 176.117 0.008 0.000 1.100 123 I CA 1.424 62.712 61.300 -0.020 0.000 1.374 123 I CB -0.276 37.657 38.000 -0.110 0.000 1.057 123 I HN 0.174 nan 8.210 nan 0.000 0.413 124 K N 0.510 120.893 120.400 -0.028 0.000 2.026 124 K HA -0.194 4.619 4.320 0.822 0.000 0.208 124 K C 1.771 178.369 176.600 -0.003 0.000 1.048 124 K CA 1.752 58.017 56.287 -0.036 0.000 0.929 124 K CB -0.267 32.200 32.500 -0.055 0.000 0.713 124 K HN 0.222 nan 8.250 nan 0.000 0.439 125 D N 0.778 121.186 120.400 0.014 0.000 2.116 125 D HA -0.193 4.940 4.640 0.822 0.000 0.193 125 D C 1.870 178.224 176.300 0.089 0.000 0.998 125 D CA 1.508 55.534 54.000 0.043 0.000 0.836 125 D CB -0.116 40.700 40.800 0.027 0.000 0.951 125 D HN 0.171 nan 8.370 nan 0.000 0.449 126 M N -0.255 119.399 119.600 0.091 0.000 2.099 126 M HA -0.085 4.888 4.480 0.822 0.000 0.262 126 M C 2.281 178.681 176.300 0.166 0.000 1.067 126 M CA 1.043 56.431 55.300 0.148 0.000 1.124 126 M CB -0.164 32.522 32.600 0.142 0.000 1.353 126 M HN 0.005 nan 8.290 nan 0.000 0.410 127 I N -0.303 120.332 120.570 0.108 0.000 2.127 127 I HA -0.340 4.323 4.170 0.822 0.000 0.241 127 I C 2.546 178.735 176.117 0.120 0.000 1.075 127 I CA 1.569 62.924 61.300 0.091 0.000 1.334 127 I CB -0.587 37.407 38.000 -0.010 0.000 1.040 127 I HN 0.293 nan 8.210 nan 0.000 0.405 128 R N -0.375 120.178 120.500 0.089 0.000 2.096 128 R HA -0.221 4.612 4.340 0.822 0.000 0.235 128 R C 2.401 178.763 176.300 0.105 0.000 1.127 128 R CA 1.673 57.844 56.100 0.118 0.000 0.968 128 R CB -0.506 29.843 30.300 0.080 0.000 0.861 128 R HN 0.358 nan 8.270 nan 0.000 0.440 129 Y N 1.086 121.386 120.300 -0.001 0.000 2.224 129 Y HA -0.194 4.848 4.550 0.819 0.000 0.289 129 Y C 2.250 178.109 175.900 -0.068 0.000 1.146 129 Y CA 1.194 59.253 58.100 -0.068 0.000 1.182 129 Y CB -0.279 38.104 38.460 -0.129 0.000 0.983 129 Y HN 0.053 nan 8.280 nan 0.000 0.524 130 A N -0.699 122.151 122.820 0.050 0.000 1.883 130 A HA -0.213 4.600 4.320 0.822 0.000 0.217 130 A C 2.428 179.969 177.584 -0.072 0.000 1.186 130 A CA 2.061 54.115 52.037 0.029 0.000 0.624 130 A CB -1.254 17.827 19.000 0.136 0.000 0.822 130 A HN 0.489 nan 8.150 nan 0.000 0.444 131 S N 0.309 115.993 115.700 -0.026 0.000 2.368 131 S HA -0.273 4.690 4.470 0.822 0.000 0.226 131 S C 2.028 176.546 174.600 -0.136 0.000 1.044 131 S CA 2.125 60.289 58.200 -0.059 0.000 1.062 131 S CB -0.384 62.825 63.200 0.015 0.000 0.931 131 S HN 0.861 nan 8.310 nan 0.000 0.440 132 K N 0.768 121.047 120.400 -0.202 0.000 2.098 132 K HA 0.187 5.000 4.320 0.822 0.000 0.203 132 K C 2.122 178.546 176.600 -0.292 0.000 1.051 132 K CA 0.902 57.056 56.287 -0.222 0.000 0.957 132 K CB -0.468 31.915 32.500 -0.195 0.000 0.738 132 K HN 0.307 nan 8.250 nan 0.000 0.447 133 I N 2.003 122.268 120.570 -0.510 0.000 2.361 133 I HA -0.220 4.443 4.170 0.822 0.000 0.251 133 I C 1.246 177.248 176.117 -0.191 0.000 1.133 133 I CA 1.120 62.163 61.300 -0.429 0.000 1.413 133 I CB -0.044 37.554 38.000 -0.669 0.000 1.073 133 I HN 0.278 nan 8.210 nan 0.000 0.424 134 N N 1.018 119.625 118.700 -0.154 0.000 2.416 134 N HA -0.094 5.139 4.740 0.822 0.000 0.177 134 N C 0.255 175.719 175.510 -0.077 0.000 1.036 134 N CA 0.459 53.463 53.050 -0.076 0.000 0.901 134 N CB -0.082 38.376 38.487 -0.047 0.000 0.976 134 N HN 0.296 nan 8.380 nan 0.000 0.444 135 N N -0.195 118.445 118.700 -0.100 0.000 2.924 135 N HA -0.120 5.113 4.740 0.822 0.000 0.246 135 N C -0.983 174.481 175.510 -0.075 0.000 1.120 135 N CA 0.575 53.576 53.050 -0.083 0.000 0.691 135 N CB -1.248 37.202 38.487 -0.062 0.000 1.036 135 N HN 0.265 nan 8.380 nan 0.000 0.557 136 A N 0.108 122.871 122.820 -0.095 0.000 2.303 136 A HA 0.453 5.266 4.320 0.822 0.000 0.317 136 A C 1.141 178.651 177.584 -0.124 0.000 1.149 136 A CA -0.092 51.882 52.037 -0.105 0.000 0.822 136 A CB 0.975 19.895 19.000 -0.132 0.000 1.131 136 A HN 0.384 nan 8.150 nan 0.000 0.493 137 E N 1.086 121.223 120.200 -0.106 0.000 2.340 137 E HA 0.180 5.024 4.350 0.822 0.000 0.194 137 E C -0.331 176.140 176.600 -0.215 0.000 0.996 137 E CA 0.417 56.746 56.400 -0.117 0.000 0.869 137 E CB 0.073 29.762 29.700 -0.019 0.000 0.835 137 E HN 0.706 nan 8.360 nan 0.000 0.493 138 I N 0.234 120.664 120.570 -0.232 0.000 2.647 138 I HA 0.293 4.957 4.170 0.822 0.000 0.295 138 I C -1.003 174.930 176.117 -0.306 0.000 1.078 138 I CA -0.841 60.272 61.300 -0.312 0.000 1.048 138 I CB 2.642 40.473 38.000 -0.281 0.000 1.239 138 I HN -0.239 nan 8.210 nan 0.000 0.421 139 T N 5.948 120.275 114.554 -0.378 0.000 2.937 139 T HA 0.504 5.347 4.350 0.822 0.000 0.297 139 T C -0.477 174.135 174.700 -0.147 0.000 0.991 139 T CA -0.484 61.466 62.100 -0.251 0.000 0.990 139 T CB 1.202 69.945 68.868 -0.208 0.000 0.991 139 T HN 0.252 nan 8.240 nan 0.000 0.440 140 L N 3.155 124.283 121.223 -0.159 0.000 2.319 140 L HA 0.523 5.356 4.340 0.822 0.000 0.280 140 L C -0.248 176.564 176.870 -0.096 0.000 1.099 140 L CA -0.634 54.116 54.840 -0.150 0.000 0.828 140 L CB 0.888 42.805 42.059 -0.236 0.000 1.150 140 L HN 0.355 nan 8.230 nan 0.000 0.442 141 V N 3.588 123.479 119.914 -0.039 0.000 2.326 141 V HA 0.209 4.823 4.120 0.822 0.000 0.281 141 V C 0.045 176.128 176.094 -0.019 0.000 1.015 141 V CA -0.606 61.689 62.300 -0.008 0.000 0.823 141 V CB 1.389 33.228 31.823 0.027 0.000 1.009 141 V HN 0.712 nan 8.190 nan 0.000 0.436 142 E N 5.542 125.733 120.200 -0.014 0.000 2.130 142 E HA 0.432 5.275 4.350 0.822 0.000 0.284 142 E C -0.923 175.663 176.600 -0.023 0.000 1.018 142 E CA -0.496 55.905 56.400 0.001 0.000 0.817 142 E CB 0.943 30.680 29.700 0.061 0.000 1.078 142 E HN 0.645 nan 8.360 nan 0.000 0.396 143 I N 5.110 125.668 120.570 -0.021 0.000 2.330 143 I HA 0.263 4.927 4.170 0.822 0.000 0.286 143 I C 0.948 177.026 176.117 -0.065 0.000 1.025 143 I CA -0.651 60.615 61.300 -0.058 0.000 1.197 143 I CB 1.157 39.160 38.000 0.006 0.000 1.358 143 I HN 0.608 nan 8.210 nan 0.000 0.467 144 G N 3.898 112.626 108.800 -0.121 0.000 2.631 144 G HA2 0.490 4.943 3.960 0.822 0.000 0.271 144 G HA3 0.490 4.943 3.960 0.822 0.000 0.271 144 G C 0.394 175.251 174.900 -0.071 0.000 1.302 144 G CA 0.478 45.520 45.100 -0.097 0.000 1.002 144 G HN 0.962 nan 8.290 nan 0.000 0.519 145 G N -1.973 106.803 108.800 -0.039 0.000 2.741 145 G HA2 0.086 4.539 3.960 0.822 0.000 0.222 145 G HA3 0.086 4.539 3.960 0.822 0.000 0.222 145 G C -0.120 174.793 174.900 0.022 0.000 1.364 145 G CA 0.041 45.139 45.100 -0.004 0.000 0.866 145 G HN 1.295 nan 8.290 nan 0.000 0.555 146 T N 0.702 115.281 114.554 0.042 0.000 2.758 146 T HA 0.516 5.359 4.350 0.822 0.000 0.285 146 T C 0.702 175.446 174.700 0.074 0.000 0.981 146 T CA -0.211 61.926 62.100 0.063 0.000 0.965 146 T CB 1.617 70.523 68.868 0.064 0.000 0.927 146 T HN 0.958 nan 8.240 nan 0.000 0.448 147 V N 3.533 123.501 119.914 0.090 0.000 2.644 147 V HA 0.300 4.913 4.120 0.822 0.000 0.305 147 V C 1.610 177.723 176.094 0.032 0.000 1.053 147 V CA 1.774 64.113 62.300 0.066 0.000 1.186 147 V CB 0.159 32.023 31.823 0.067 0.000 0.895 147 V HN 1.279 nan 8.190 nan 0.000 0.490 148 G N 3.698 112.509 108.800 0.018 0.000 2.195 148 G HA2 -0.180 4.273 3.960 0.822 0.000 0.246 148 G HA3 -0.180 4.273 3.960 0.822 0.000 0.246 148 G C -0.075 174.850 174.900 0.042 0.000 0.984 148 G CA 0.064 45.167 45.100 0.006 0.000 0.633 148 G HN 0.673 nan 8.290 nan 0.000 0.525 149 D N -0.243 120.193 120.400 0.059 0.000 2.329 149 D HA 0.533 5.667 4.640 0.822 0.000 0.246 149 D C 2.054 178.395 176.300 0.068 0.000 1.111 149 D CA -0.474 53.565 54.000 0.065 0.000 0.941 149 D CB 0.694 41.534 40.800 0.067 0.000 1.169 149 D HN 0.139 nan 8.370 nan 0.000 0.441 150 I N 0.454 121.064 120.570 0.067 0.000 2.142 150 I HA -0.282 4.381 4.170 0.822 0.000 0.240 150 I C 2.195 178.375 176.117 0.104 0.000 1.078 150 I CA 1.246 62.588 61.300 0.071 0.000 1.343 150 I CB -0.506 37.530 38.000 0.060 0.000 1.046 150 I HN 0.528 nan 8.210 nan 0.000 0.405 151 E N 1.625 121.898 120.200 0.120 0.000 2.267 151 E HA -0.224 4.619 4.350 0.822 0.000 0.197 151 E C 1.972 178.722 176.600 0.251 0.000 0.998 151 E CA 1.658 58.165 56.400 0.178 0.000 0.830 151 E CB -0.313 29.477 29.700 0.150 0.000 0.751 151 E HN 0.609 nan 8.360 nan 0.000 0.491 152 S N 0.170 115.985 115.700 0.193 0.000 2.456 152 S HA 0.013 4.976 4.470 0.822 0.000 0.224 152 S C 1.900 176.637 174.600 0.229 0.000 1.035 152 S CA -0.058 58.279 58.200 0.229 0.000 0.940 152 S CB -0.092 63.183 63.200 0.125 0.000 0.799 152 S HN 0.088 nan 8.310 nan 0.000 0.508 153 L N 2.871 124.171 121.223 0.129 0.000 2.010 153 L HA -0.013 4.820 4.340 0.822 0.000 0.219 153 L C -0.642 176.241 176.870 0.021 0.000 1.077 153 L CA 1.878 56.756 54.840 0.062 0.000 0.773 153 L CB -2.408 39.671 42.059 0.034 0.000 0.892 153 L HN 0.249 nan 8.230 nan 0.000 0.436 154 P HA -0.162 nan 4.420 nan 0.000 0.218 154 P C 1.759 178.882 177.300 -0.295 0.000 1.148 154 P CA 1.396 64.356 63.100 -0.233 0.000 0.822 154 P CB -0.075 31.378 31.700 -0.412 0.000 0.784 155 F N -1.378 118.563 119.950 -0.014 0.000 2.187 155 F HA -0.019 5.005 4.527 0.828 0.000 0.295 155 F C 2.304 178.108 175.800 0.007 0.000 1.091 155 F CA 0.861 58.853 58.000 -0.012 0.000 1.308 155 F CB -1.273 37.721 39.000 -0.010 0.000 1.030 155 F HN -0.225 nan 8.300 nan 0.000 0.487 156 L N -0.322 121.008 121.223 0.178 0.000 2.017 156 L HA -0.183 4.650 4.340 0.822 0.000 0.208 156 L C 2.617 179.516 176.870 0.050 0.000 1.073 156 L CA 1.233 56.137 54.840 0.107 0.000 0.745 156 L CB -0.615 41.482 42.059 0.064 0.000 0.894 156 L HN 0.068 nan 8.230 nan 0.000 0.432 157 E N 0.432 120.636 120.200 0.007 0.000 2.118 157 E HA -0.215 4.628 4.350 0.822 0.000 0.195 157 E C 2.171 178.756 176.600 -0.024 0.000 0.992 157 E CA 1.502 57.886 56.400 -0.026 0.000 0.804 157 E CB -0.037 29.631 29.700 -0.054 0.000 0.741 157 E HN 0.443 nan 8.360 nan 0.000 0.458 158 A N 0.066 122.868 122.820 -0.030 0.000 1.968 158 A HA -0.071 4.742 4.320 0.822 0.000 0.217 158 A C 2.488 180.074 177.584 0.004 0.000 1.169 158 A CA 1.100 53.115 52.037 -0.037 0.000 0.638 158 A CB -0.220 18.739 19.000 -0.068 0.000 0.812 158 A HN 0.161 nan 8.150 nan 0.000 0.446 159 V N -0.425 119.529 119.914 0.068 0.000 2.788 159 V HA -0.105 4.508 4.120 0.822 0.000 0.251 159 V C 2.512 178.729 176.094 0.205 0.000 1.068 159 V CA 1.648 64.023 62.300 0.126 0.000 1.090 159 V CB -0.603 31.357 31.823 0.228 0.000 0.710 159 V HN 0.652 nan 8.190 nan 0.000 0.467 160 R N 0.059 120.639 120.500 0.134 0.000 2.073 160 R HA -0.214 4.620 4.340 0.822 0.000 0.234 160 R C 2.309 178.645 176.300 0.059 0.000 1.134 160 R CA 2.002 58.153 56.100 0.086 0.000 0.952 160 R CB -0.170 30.126 30.300 -0.007 0.000 0.850 160 R HN 0.561 nan 8.270 nan 0.000 0.433 161 Q N 0.185 119.996 119.800 0.018 0.000 2.124 161 Q HA -0.170 4.663 4.340 0.822 0.000 0.202 161 Q C 2.135 178.130 176.000 -0.009 0.000 0.977 161 Q CA 1.261 57.060 55.803 -0.007 0.000 0.850 161 Q CB -0.139 28.580 28.738 -0.032 0.000 0.901 161 Q HN 0.245 nan 8.270 nan 0.000 0.429 162 L N 1.397 122.609 121.223 -0.018 0.000 2.079 162 L HA -0.224 4.609 4.340 0.822 0.000 0.210 162 L C 2.156 179.008 176.870 -0.030 0.000 1.081 162 L CA 1.877 56.674 54.840 -0.072 0.000 0.752 162 L CB -0.375 41.591 42.059 -0.155 0.000 0.896 162 L HN 0.059 nan 8.230 nan 0.000 0.433 163 K N -0.455 119.973 120.400 0.048 0.000 1.980 163 K HA -0.151 4.662 4.320 0.822 0.000 0.208 163 K C 2.096 178.732 176.600 0.060 0.000 1.043 163 K CA 1.652 57.992 56.287 0.088 0.000 0.938 163 K CB -0.353 32.287 32.500 0.233 0.000 0.724 163 K HN 0.361 nan 8.250 nan 0.000 0.438 164 L N 0.745 121.999 121.223 0.052 0.000 2.263 164 L HA -0.113 4.720 4.340 0.822 0.000 0.216 164 L C 1.640 178.520 176.870 0.017 0.000 1.111 164 L CA 1.567 56.424 54.840 0.029 0.000 0.773 164 L CB -0.912 41.155 42.059 0.015 0.000 0.906 164 L HN 0.229 nan 8.230 nan 0.000 0.439 165 E N 0.714 120.920 120.200 0.011 0.000 2.004 165 E HA -0.147 4.696 4.350 0.822 0.000 0.192 165 E C 2.067 178.675 176.600 0.015 0.000 0.987 165 E CA 1.527 57.930 56.400 0.005 0.000 0.822 165 E CB -0.176 29.519 29.700 -0.008 0.000 0.779 165 E HN 0.672 nan 8.360 nan 0.000 0.458 166 E N -0.121 120.092 120.200 0.022 0.000 2.371 166 E HA 0.127 4.970 4.350 0.822 0.000 0.194 166 E C 0.369 176.992 176.600 0.037 0.000 1.012 166 E CA 0.306 56.728 56.400 0.036 0.000 0.860 166 E CB 0.689 30.427 29.700 0.063 0.000 0.811 166 E HN 0.265 nan 8.360 nan 0.000 0.502 167 G N 1.233 110.056 108.800 0.039 0.000 2.592 167 G HA2 -0.175 4.278 3.960 0.822 0.000 0.685 167 G HA3 -0.175 4.278 3.960 0.822 0.000 0.685 167 G C -0.211 174.717 174.900 0.047 0.000 1.278 167 G CA -0.603 44.520 45.100 0.038 0.000 0.822 167 G HN 0.062 nan 8.290 nan 0.000 0.652 168 E N -0.521 119.708 120.200 0.049 0.000 2.455 168 E HA -0.102 4.741 4.350 0.822 0.000 0.202 168 E C 1.010 177.638 176.600 0.047 0.000 1.045 168 E CA 1.242 57.677 56.400 0.060 0.000 0.872 168 E CB 0.156 29.888 29.700 0.054 0.000 0.792 168 E HN 0.443 nan 8.360 nan 0.000 0.542 169 D N -0.954 119.466 120.400 0.034 0.000 2.369 169 D HA 0.054 5.187 4.640 0.822 0.000 0.211 169 D C 0.680 176.987 176.300 0.012 0.000 1.077 169 D CA 0.205 54.219 54.000 0.024 0.000 0.842 169 D CB 0.282 41.093 40.800 0.018 0.000 0.947 169 D HN 0.107 nan 8.370 nan 0.000 0.509 170 N N -0.348 118.364 118.700 0.021 0.000 2.166 170 N HA 0.093 5.326 4.740 0.822 0.000 0.213 170 N C -0.679 174.856 175.510 0.042 0.000 1.222 170 N CA 0.203 53.265 53.050 0.020 0.000 0.900 170 N CB 2.579 41.095 38.487 0.048 0.000 1.055 170 N HN -0.100 nan 8.380 nan 0.000 0.515 171 V N 3.336 123.261 119.914 0.017 0.000 2.567 171 V HA 0.483 5.097 4.120 0.822 0.000 0.298 171 V C -0.235 175.773 176.094 -0.144 0.000 1.047 171 V CA -0.847 61.419 62.300 -0.055 0.000 0.880 171 V CB 2.043 33.836 31.823 -0.050 0.000 1.009 171 V HN 0.059 nan 8.190 nan 0.000 0.429 172 I N 0.042 120.459 120.570 -0.255 0.000 3.067 172 I HA 0.783 5.446 4.170 0.822 0.000 0.312 172 I C -1.577 174.257 176.117 -0.472 0.000 1.073 172 I CA -0.993 60.203 61.300 -0.173 0.000 1.016 172 I CB 2.705 40.750 38.000 0.075 0.000 1.227 172 I HN 0.378 nan 8.210 nan 0.000 0.456 173 F N 2.310 122.339 119.950 0.131 0.000 2.496 173 F HA 0.505 5.525 4.527 0.822 0.000 0.341 173 F C -0.382 175.526 175.800 0.181 0.000 1.134 173 F CA -0.821 57.254 58.000 0.124 0.000 0.968 173 F CB 2.035 41.088 39.000 0.089 0.000 1.205 173 F HN 0.083 nan 8.300 nan 0.000 0.436 174 V N 3.038 123.113 119.914 0.268 0.000 2.364 174 V HA 0.223 4.836 4.120 0.822 0.000 0.272 174 V C -0.527 175.700 176.094 0.220 0.000 1.036 174 V CA -0.633 61.805 62.300 0.229 0.000 0.880 174 V CB 0.797 32.662 31.823 0.070 0.000 0.991 174 V HN 0.661 nan 8.190 nan 0.000 0.460 175 H N 5.004 124.158 119.070 0.140 0.000 2.476 175 H HA 0.598 5.648 4.556 0.824 0.000 0.328 175 H C -0.476 174.888 175.328 0.059 0.000 1.073 175 H CA -0.612 55.491 56.048 0.092 0.000 1.229 175 H CB 1.156 30.967 29.762 0.081 0.000 1.432 175 H HN 0.608 nan 8.280 nan 0.000 0.477 176 I N 4.830 125.087 120.570 -0.521 0.000 2.297 176 I HA 0.386 5.049 4.170 0.822 0.000 0.291 176 I C -0.039 175.849 176.117 -0.381 0.000 1.033 176 I CA -0.493 60.609 61.300 -0.329 0.000 1.253 176 I CB 0.986 38.852 38.000 -0.223 0.000 1.396 176 I HN 0.613 nan 8.210 nan 0.000 0.476 177 A N 6.734 129.481 122.820 -0.122 0.000 2.304 177 A HA 0.595 5.408 4.320 0.822 0.000 0.323 177 A C -0.612 176.946 177.584 -0.043 0.000 1.195 177 A CA -0.631 51.392 52.037 -0.024 0.000 0.826 177 A CB 1.123 20.176 19.000 0.089 0.000 1.184 177 A HN 0.658 nan 8.150 nan 0.000 0.496 178 L N 4.342 125.539 121.223 -0.044 0.000 2.536 178 L HA 0.305 5.138 4.340 0.822 0.000 0.282 178 L C -0.324 176.494 176.870 -0.088 0.000 1.147 178 L CA 0.375 55.182 54.840 -0.055 0.000 0.936 178 L CB -0.096 41.937 42.059 -0.043 0.000 1.279 178 L HN 0.390 nan 8.230 nan 0.000 0.461 179 V N 5.746 125.592 119.914 -0.113 0.000 2.508 179 V HA 0.259 4.872 4.120 0.822 0.000 0.281 179 V C 0.317 176.250 176.094 -0.267 0.000 1.041 179 V CA -0.203 61.965 62.300 -0.221 0.000 1.016 179 V CB 0.923 32.607 31.823 -0.232 0.000 0.984 179 V HN 0.845 nan 8.190 nan 0.000 0.478 180 E N 4.771 124.764 120.200 -0.344 0.000 2.542 180 E HA 0.299 5.142 4.350 0.822 0.000 0.298 180 E C -1.477 175.000 176.600 -0.206 0.000 0.980 180 E CA -0.613 55.658 56.400 -0.216 0.000 0.792 180 E CB 0.739 30.384 29.700 -0.091 0.000 1.463 180 E HN 0.629 nan 8.360 nan 0.000 0.389 181 Y N 2.797 123.089 120.300 -0.014 0.000 2.511 181 Y HA 0.102 5.145 4.550 0.822 0.000 0.332 181 Y C 1.066 176.960 175.900 -0.009 0.000 1.177 181 Y CA -0.354 57.738 58.100 -0.013 0.000 1.422 181 Y CB 0.325 38.781 38.460 -0.007 0.000 1.271 181 Y HN 0.410 nan 8.280 nan 0.000 0.550 182 L N 1.429 122.730 121.223 0.130 0.000 2.498 182 L HA -0.173 4.660 4.340 0.822 0.000 0.293 182 L C 1.780 178.694 176.870 0.072 0.000 1.271 182 L CA 0.686 55.570 54.840 0.073 0.000 0.831 182 L CB 0.116 42.207 42.059 0.054 0.000 1.091 182 L HN 0.890 nan 8.230 nan 0.000 0.535 183 S N 0.564 116.291 115.700 0.045 0.000 2.348 183 S HA -0.061 4.902 4.470 0.822 0.000 0.221 183 S C 0.641 175.260 174.600 0.031 0.000 1.033 183 S CA 1.126 59.348 58.200 0.036 0.000 1.010 183 S CB 0.111 63.326 63.200 0.024 0.000 0.891 183 S HN 0.370 nan 8.310 nan 0.000 0.442 184 V N 1.648 121.578 119.914 0.027 0.000 2.462 184 V HA 0.463 5.076 4.120 0.822 0.000 0.257 184 V C -0.313 175.793 176.094 0.019 0.000 0.944 184 V CA 0.020 62.332 62.300 0.019 0.000 0.903 184 V CB 0.565 32.396 31.823 0.014 0.000 1.128 184 V HN 0.504 nan 8.190 nan 0.000 0.486 185 T N -1.813 112.754 114.554 0.022 0.000 3.415 185 T HA 0.253 5.096 4.350 0.822 0.000 0.275 185 T C 1.407 176.117 174.700 0.017 0.000 0.864 185 T CA 0.602 62.714 62.100 0.021 0.000 0.796 185 T CB 0.496 69.382 68.868 0.030 0.000 1.240 185 T HN 1.118 nan 8.240 nan 0.000 0.789 186 G N 1.691 110.503 108.800 0.020 0.000 2.320 186 G HA2 -0.258 4.195 3.960 0.822 0.000 0.242 186 G HA3 -0.258 4.195 3.960 0.822 0.000 0.242 186 G C -0.095 174.837 174.900 0.053 0.000 1.033 186 G CA 0.335 45.425 45.100 -0.016 0.000 0.620 186 G HN 0.595 nan 8.290 nan 0.000 0.517 187 E N 0.564 120.823 120.200 0.098 0.000 2.366 187 E HA 0.558 5.401 4.350 0.822 0.000 0.266 187 E C 0.568 177.291 176.600 0.204 0.000 1.051 187 E CA -0.356 56.137 56.400 0.156 0.000 0.884 187 E CB 1.067 30.825 29.700 0.098 0.000 1.006 187 E HN 0.826 nan 8.360 nan 0.000 0.417 188 L N 0.124 121.464 121.223 0.196 0.000 2.350 188 L HA 0.314 5.147 4.340 0.822 0.000 0.275 188 L C -0.257 176.585 176.870 -0.048 0.000 1.099 188 L CA -0.516 54.335 54.840 0.019 0.000 0.808 188 L CB 0.711 42.624 42.059 -0.242 0.000 1.149 188 L HN 0.400 nan 8.230 nan 0.000 0.442 189 K N 1.101 121.458 120.400 -0.071 0.000 2.228 189 K HA 0.157 4.970 4.320 0.822 0.000 0.284 189 K C 0.396 176.920 176.600 -0.126 0.000 1.088 189 K CA 0.362 56.610 56.287 -0.066 0.000 0.941 189 K CB -0.034 32.443 32.500 -0.039 0.000 1.158 189 K HN 0.838 nan 8.250 nan 0.000 0.438 190 T N -0.386 114.073 114.554 -0.159 0.000 3.118 190 T HA -0.101 4.743 4.350 0.822 0.000 0.260 190 T C 1.542 176.165 174.700 -0.127 0.000 1.139 190 T CA 0.307 62.245 62.100 -0.270 0.000 1.085 190 T CB 0.032 68.559 68.868 -0.568 0.000 0.934 190 T HN 0.676 nan 8.240 nan 0.000 0.518 191 K N 2.002 122.373 120.400 -0.049 0.000 2.032 191 K HA -0.157 4.656 4.320 0.822 0.000 0.218 191 K C -0.816 175.798 176.600 0.023 0.000 1.054 191 K CA 2.024 58.312 56.287 0.001 0.000 0.941 191 K CB -1.018 31.476 32.500 -0.010 0.000 0.720 191 K HN 0.310 nan 8.250 nan 0.000 0.449 192 P HA -0.127 nan 4.420 nan 0.000 0.219 192 P C 1.318 178.665 177.300 0.077 0.000 1.150 192 P CA 0.785 63.913 63.100 0.047 0.000 0.814 192 P CB -0.029 31.678 31.700 0.012 0.000 0.787 193 L N 0.305 121.528 121.223 -0.001 0.000 2.005 193 L HA -0.166 4.667 4.340 0.822 0.000 0.207 193 L C 2.356 179.233 176.870 0.010 0.000 1.072 193 L CA 2.098 56.924 54.840 -0.023 0.000 0.744 193 L CB -1.705 40.265 42.059 -0.149 0.000 0.895 193 L HN -0.168 nan 8.230 nan 0.000 0.433 194 Q N -1.010 118.809 119.800 0.032 0.000 2.124 194 Q HA -0.278 4.555 4.340 0.822 0.000 0.202 194 Q C 2.365 178.429 176.000 0.106 0.000 0.977 194 Q CA 1.971 57.861 55.803 0.144 0.000 0.850 194 Q CB -0.643 28.251 28.738 0.259 0.000 0.901 194 Q HN 0.763 nan 8.270 nan 0.000 0.429 195 H N -1.067 118.015 119.070 0.021 0.000 2.491 195 H HA 0.017 5.066 4.556 0.821 0.000 0.290 195 H C 1.248 176.571 175.328 -0.007 0.000 1.050 195 H CA 1.476 57.530 56.048 0.009 0.000 1.309 195 H CB 0.478 30.244 29.762 0.007 0.000 1.392 195 H HN 0.296 nan 8.280 nan 0.000 0.554 196 S N -0.336 115.328 115.700 -0.061 0.000 2.387 196 S HA -0.056 4.908 4.470 0.822 0.000 0.221 196 S C 2.104 176.580 174.600 -0.207 0.000 1.041 196 S CA 0.604 58.722 58.200 -0.136 0.000 0.959 196 S CB -0.118 63.064 63.200 -0.029 0.000 0.843 196 S HN 0.247 nan 8.310 nan 0.000 0.488 197 V N 2.724 122.546 119.914 -0.154 0.000 2.913 197 V HA -0.152 4.461 4.120 0.822 0.000 0.260 197 V C 2.372 178.387 176.094 -0.130 0.000 1.098 197 V CA 1.859 64.067 62.300 -0.153 0.000 1.121 197 V CB -0.481 31.305 31.823 -0.063 0.000 0.714 197 V HN 0.586 nan 8.190 nan 0.000 0.487 198 Q N -0.891 118.830 119.800 -0.133 0.000 2.137 198 Q HA -0.157 4.676 4.340 0.822 0.000 0.198 198 Q C 1.888 177.781 176.000 -0.177 0.000 0.960 198 Q CA 1.380 57.102 55.803 -0.135 0.000 0.847 198 Q CB -0.251 28.415 28.738 -0.121 0.000 0.915 198 Q HN 0.605 nan 8.270 nan 0.000 0.448 199 E N 0.726 120.775 120.200 -0.251 0.000 2.268 199 E HA -0.074 4.769 4.350 0.822 0.000 0.195 199 E C 2.091 178.597 176.600 -0.156 0.000 0.995 199 E CA 0.610 56.879 56.400 -0.219 0.000 0.836 199 E CB 0.126 29.673 29.700 -0.255 0.000 0.763 199 E HN 0.472 nan 8.360 nan 0.000 0.491 200 L N 0.586 121.706 121.223 -0.173 0.000 2.127 200 L HA -0.072 4.761 4.340 0.822 0.000 0.203 200 L C 2.604 179.380 176.870 -0.157 0.000 1.080 200 L CA 0.742 55.478 54.840 -0.174 0.000 0.768 200 L CB -0.274 41.652 42.059 -0.222 0.000 0.924 200 L HN 0.052 nan 8.230 nan 0.000 0.444 201 R N -0.195 120.223 120.500 -0.137 0.000 2.075 201 R HA -0.155 4.678 4.340 0.822 0.000 0.232 201 R C 2.246 178.489 176.300 -0.095 0.000 1.126 201 R CA 0.781 56.814 56.100 -0.112 0.000 0.963 201 R CB -0.706 29.539 30.300 -0.091 0.000 0.858 201 R HN 0.233 nan 8.270 nan 0.000 0.435 202 R N 1.285 121.730 120.500 -0.091 0.000 2.139 202 R HA -0.131 4.702 4.340 0.822 0.000 0.243 202 R C 1.603 177.861 176.300 -0.071 0.000 1.145 202 R CA 1.381 57.438 56.100 -0.073 0.000 0.976 202 R CB -0.125 30.133 30.300 -0.071 0.000 0.866 202 R HN 0.198 nan 8.270 nan 0.000 0.449 203 I N -0.172 120.346 120.570 -0.086 0.000 3.419 203 I HA 0.110 4.773 4.170 0.822 0.000 0.286 203 I C 0.974 177.033 176.117 -0.097 0.000 1.268 203 I CA 0.869 62.120 61.300 -0.081 0.000 1.414 203 I CB -0.121 37.831 38.000 -0.080 0.000 1.074 203 I HN 0.411 nan 8.210 nan 0.000 0.457 204 G N 1.696 110.429 108.800 -0.111 0.000 2.289 204 G HA2 -0.246 4.207 3.960 0.822 0.000 0.280 204 G HA3 -0.246 4.207 3.960 0.822 0.000 0.280 204 G C 0.075 174.863 174.900 -0.186 0.000 1.089 204 G CA -0.104 44.923 45.100 -0.120 0.000 0.939 204 G HN 0.301 nan 8.290 nan 0.000 0.499 205 I N -0.044 120.373 120.570 -0.254 0.000 2.439 205 I HA 0.320 4.983 4.170 0.822 0.000 0.285 205 I C -0.004 175.889 176.117 -0.374 0.000 1.021 205 I CA -0.961 60.066 61.300 -0.456 0.000 1.091 205 I CB 1.964 39.600 38.000 -0.608 0.000 1.242 205 I HN 0.183 nan 8.210 nan 0.000 0.439 206 Q N 9.407 129.005 119.800 -0.337 0.000 2.360 206 Q HA 0.440 5.273 4.340 0.822 0.000 0.254 206 Q C -2.541 173.399 176.000 -0.099 0.000 0.975 206 Q CA -1.811 53.890 55.803 -0.170 0.000 0.912 206 Q CB 1.223 29.911 28.738 -0.084 0.000 1.212 206 Q HN 0.200 nan 8.270 nan 0.000 0.452 207 P HA 0.034 nan 4.420 nan 0.000 0.266 207 P C -0.554 176.817 177.300 0.119 0.000 1.195 207 P CA 0.092 63.258 63.100 0.109 0.000 0.768 207 P CB 0.853 32.605 31.700 0.086 0.000 0.838 208 D N 1.125 121.635 120.400 0.183 0.000 2.338 208 D HA 0.097 5.230 4.640 0.822 0.000 0.224 208 D C 0.233 176.426 176.300 -0.178 0.000 0.967 208 D CA 1.202 55.206 54.000 0.006 0.000 0.896 208 D CB 0.048 40.865 40.800 0.029 0.000 1.028 208 D HN 0.297 nan 8.370 nan 0.000 0.493 209 F N 0.634 120.657 119.950 0.120 0.000 2.563 209 F HA 0.406 5.427 4.527 0.824 0.000 0.316 209 F C 0.187 176.045 175.800 0.097 0.000 1.076 209 F CA -1.136 56.910 58.000 0.077 0.000 0.921 209 F CB 1.935 40.911 39.000 -0.041 0.000 1.209 209 F HN -0.327 nan 8.300 nan 0.000 0.462 210 I N 2.451 123.190 120.570 0.282 0.000 2.607 210 I HA 0.542 5.205 4.170 0.822 0.000 0.305 210 I C -0.534 175.672 176.117 0.148 0.000 0.995 210 I CA -1.052 60.369 61.300 0.202 0.000 1.148 210 I CB 1.742 39.841 38.000 0.165 0.000 1.323 210 I HN 0.216 nan 8.210 nan 0.000 0.461 211 V N 3.026 122.992 119.914 0.086 0.000 2.443 211 V HA 0.517 5.130 4.120 0.822 0.000 0.293 211 V C 0.384 176.492 176.094 0.023 0.000 1.021 211 V CA -0.658 61.667 62.300 0.041 0.000 0.848 211 V CB 1.687 33.506 31.823 -0.007 0.000 0.998 211 V HN 0.938 nan 8.190 nan 0.000 0.424 212 G N 3.420 112.243 108.800 0.037 0.000 2.350 212 G HA2 0.487 4.940 3.960 0.822 0.000 0.306 212 G HA3 0.487 4.940 3.960 0.822 0.000 0.306 212 G C -0.233 174.677 174.900 0.018 0.000 1.094 212 G CA -0.521 44.589 45.100 0.016 0.000 0.953 212 G HN 0.588 nan 8.290 nan 0.000 0.420 213 R N 1.948 122.442 120.500 -0.010 0.000 2.267 213 R HA 0.624 5.457 4.340 0.822 0.000 0.319 213 R C -0.060 176.246 176.300 0.010 0.000 1.067 213 R CA 0.313 56.412 56.100 -0.001 0.000 0.936 213 R CB 0.391 30.673 30.300 -0.030 0.000 1.006 213 R HN 0.681 nan 8.270 nan 0.000 0.452 214 A N 2.567 125.423 122.820 0.060 0.000 2.602 214 A HA 0.422 5.235 4.320 0.822 0.000 0.290 214 A C 0.463 178.123 177.584 0.128 0.000 1.114 214 A CA -0.544 51.540 52.037 0.078 0.000 0.683 214 A CB 1.112 20.168 19.000 0.093 0.000 1.281 214 A HN 0.665 nan 8.150 nan 0.000 0.416 215 T N 0.560 115.190 114.554 0.128 0.000 2.614 215 T HA 0.050 4.893 4.350 0.822 0.000 0.263 215 T C 0.929 175.724 174.700 0.158 0.000 1.055 215 T CA 1.334 63.510 62.100 0.127 0.000 1.162 215 T CB -0.488 68.440 68.868 0.099 0.000 0.863 215 T HN 0.415 nan 8.240 nan 0.000 0.414 216 L N 1.344 122.639 121.223 0.121 0.000 2.387 216 L HA 0.408 5.241 4.340 0.822 0.000 0.266 216 L C -2.316 174.548 176.870 -0.010 0.000 1.059 216 L CA -2.677 52.180 54.840 0.029 0.000 0.801 216 L CB 0.239 42.293 42.059 -0.008 0.000 1.223 216 L HN -0.030 nan 8.230 nan 0.000 0.456 217 P HA 0.076 nan 4.420 nan 0.000 0.270 217 P C -0.858 176.426 177.300 -0.027 0.000 1.227 217 P CA -0.172 62.779 63.100 -0.249 0.000 0.788 217 P CB 0.393 31.813 31.700 -0.467 0.000 0.926 218 L N 1.636 122.882 121.223 0.039 0.000 2.305 218 L HA 0.221 5.054 4.340 0.822 0.000 0.281 218 L C 0.888 177.794 176.870 0.060 0.000 1.085 218 L CA -0.658 54.237 54.840 0.091 0.000 0.813 218 L CB 0.214 42.331 42.059 0.096 0.000 1.157 218 L HN 0.452 nan 8.230 nan 0.000 0.436 219 D N 0.584 121.029 120.400 0.075 0.000 2.384 219 D HA -0.008 5.125 4.640 0.822 0.000 0.244 219 D C 0.439 176.771 176.300 0.054 0.000 1.251 219 D CA -0.489 53.536 54.000 0.042 0.000 0.961 219 D CB 0.696 41.511 40.800 0.025 0.000 1.116 219 D HN 0.350 nan 8.370 nan 0.000 0.484 220 D N -0.835 119.589 120.400 0.039 0.000 2.123 220 D HA -0.183 4.950 4.640 0.822 0.000 0.196 220 D C 1.866 178.199 176.300 0.055 0.000 0.992 220 D CA 1.455 55.481 54.000 0.043 0.000 0.833 220 D CB -0.160 40.659 40.800 0.031 0.000 0.954 220 D HN 0.759 nan 8.370 nan 0.000 0.455 221 E N 0.572 120.806 120.200 0.057 0.000 2.015 221 E HA -0.176 4.667 4.350 0.822 0.000 0.191 221 E C 1.954 178.612 176.600 0.097 0.000 0.991 221 E CA 1.985 58.427 56.400 0.070 0.000 0.802 221 E CB -0.827 28.911 29.700 0.063 0.000 0.759 221 E HN 0.320 nan 8.360 nan 0.000 0.447 222 T N -0.079 114.548 114.554 0.121 0.000 2.951 222 T HA -0.120 4.723 4.350 0.822 0.000 0.268 222 T C 2.180 176.937 174.700 0.095 0.000 1.073 222 T CA 1.213 63.397 62.100 0.140 0.000 1.134 222 T CB -0.352 68.662 68.868 0.244 0.000 0.884 222 T HN 0.402 nan 8.240 nan 0.000 0.479 223 R N 2.186 122.742 120.500 0.092 0.000 2.062 223 R HA 0.073 4.907 4.340 0.822 0.000 0.226 223 R C 2.720 179.075 176.300 0.092 0.000 1.125 223 R CA 1.068 57.217 56.100 0.082 0.000 0.966 223 R CB -0.679 29.670 30.300 0.082 0.000 0.861 223 R HN 0.522 nan 8.270 nan 0.000 0.433 224 R N 1.556 122.109 120.500 0.089 0.000 2.133 224 R HA -0.153 4.680 4.340 0.822 0.000 0.247 224 R C 1.561 177.931 176.300 0.117 0.000 1.151 224 R CA 1.945 58.096 56.100 0.086 0.000 0.971 224 R CB -0.424 29.918 30.300 0.070 0.000 0.866 224 R HN 0.299 nan 8.270 nan 0.000 0.447 225 K N 0.767 121.258 120.400 0.152 0.000 2.001 225 K HA -0.099 4.714 4.320 0.822 0.000 0.208 225 K C 2.310 179.158 176.600 0.412 0.000 1.048 225 K CA 1.705 58.151 56.287 0.264 0.000 0.932 225 K CB -0.438 32.232 32.500 0.284 0.000 0.715 225 K HN 0.368 nan 8.250 nan 0.000 0.437 226 I N -0.413 120.291 120.570 0.223 0.000 2.567 226 I HA -0.104 4.559 4.170 0.822 0.000 0.257 226 I C 2.142 178.389 176.117 0.217 0.000 1.184 226 I CA 1.212 62.620 61.300 0.179 0.000 1.451 226 I CB -0.407 37.587 38.000 -0.009 0.000 1.089 226 I HN -0.026 nan 8.210 nan 0.000 0.441 227 A N 0.853 123.772 122.820 0.166 0.000 1.940 227 A HA -0.112 4.701 4.320 0.822 0.000 0.219 227 A C 2.151 179.797 177.584 0.103 0.000 1.176 227 A CA 1.968 54.074 52.037 0.115 0.000 0.631 227 A CB -0.930 18.119 19.000 0.082 0.000 0.814 227 A HN 0.496 nan 8.150 nan 0.000 0.446 228 L N -1.555 119.742 121.223 0.122 0.000 1.993 228 L HA 0.051 4.884 4.340 0.822 0.000 0.206 228 L C 2.241 179.130 176.870 0.032 0.000 1.074 228 L CA 1.767 56.622 54.840 0.025 0.000 0.746 228 L CB -1.090 40.929 42.059 -0.068 0.000 0.896 228 L HN 0.428 nan 8.230 nan 0.000 0.435 229 F N -0.293 119.655 119.950 -0.003 0.000 2.167 229 F HA -0.342 4.679 4.527 0.823 0.000 0.301 229 F C 2.268 178.056 175.800 -0.020 0.000 1.066 229 F CA 1.919 59.914 58.000 -0.009 0.000 1.285 229 F CB -1.026 37.974 39.000 -0.002 0.000 1.032 229 F HN 0.357 nan 8.300 nan 0.000 0.495 230 T N -4.489 110.169 114.554 0.173 0.000 3.044 230 T HA 0.178 5.021 4.350 0.822 0.000 0.260 230 T C 0.559 175.278 174.700 0.032 0.000 1.019 230 T CA 0.252 62.399 62.100 0.079 0.000 0.921 230 T CB -0.266 68.649 68.868 0.079 0.000 1.053 230 T HN 0.215 nan 8.240 nan 0.000 0.533 231 N N 0.365 119.081 118.700 0.027 0.000 2.746 231 N HA -0.149 5.084 4.740 0.822 0.000 0.250 231 N C -1.074 174.432 175.510 -0.006 0.000 1.055 231 N CA 0.649 53.697 53.050 -0.004 0.000 0.699 231 N CB -1.736 36.738 38.487 -0.022 0.000 0.919 231 N HN 0.477 nan 8.380 nan 0.000 0.548 232 V N 0.355 120.275 119.914 0.010 0.000 2.789 232 V HA 0.437 5.050 4.120 0.822 0.000 0.311 232 V C 0.496 176.581 176.094 -0.014 0.000 1.073 232 V CA -1.083 61.217 62.300 -0.002 0.000 0.921 232 V CB 1.918 33.765 31.823 0.041 0.000 1.009 232 V HN 0.153 nan 8.190 nan 0.000 0.426 233 K N 1.701 122.056 120.400 -0.076 0.000 2.447 233 K HA 0.201 5.015 4.320 0.822 0.000 0.281 233 K C 0.846 177.435 176.600 -0.018 0.000 1.031 233 K CA 0.275 56.505 56.287 -0.096 0.000 1.019 233 K CB 0.921 33.276 32.500 -0.242 0.000 0.918 233 K HN 0.478 nan 8.250 nan 0.000 0.476 234 V N 2.680 122.601 119.914 0.012 0.000 2.317 234 V HA -0.326 4.287 4.120 0.822 0.000 0.251 234 V C 1.645 177.793 176.094 0.090 0.000 1.065 234 V CA 2.525 64.859 62.300 0.056 0.000 1.049 234 V CB -0.521 31.329 31.823 0.046 0.000 0.651 234 V HN 0.974 nan 8.190 nan 0.000 0.450 235 D N -1.425 119.016 120.400 0.068 0.000 2.357 235 D HA -0.216 4.917 4.640 0.822 0.000 0.216 235 D C 1.704 178.188 176.300 0.308 0.000 0.973 235 D CA 1.480 55.560 54.000 0.132 0.000 0.912 235 D CB -0.229 40.614 40.800 0.072 0.000 0.900 235 D HN 0.734 nan 8.370 nan 0.000 0.501 236 H N -1.265 117.846 119.070 0.069 0.000 2.672 236 H HA 0.274 5.324 4.556 0.823 0.000 0.277 236 H C 0.040 175.487 175.328 0.198 0.000 1.074 236 H CA -0.507 55.618 56.048 0.127 0.000 1.173 236 H CB 0.984 30.636 29.762 -0.183 0.000 1.558 236 H HN 0.145 nan 8.280 nan 0.000 0.539 237 I N 1.746 122.461 120.570 0.242 0.000 2.385 237 I HA 0.225 4.888 4.170 0.822 0.000 0.294 237 I C -0.572 175.640 176.117 0.159 0.000 0.988 237 I CA -0.432 60.978 61.300 0.184 0.000 1.265 237 I CB 2.265 40.347 38.000 0.135 0.000 1.388 237 I HN -0.132 nan 8.210 nan 0.000 0.480 238 V N 4.894 124.890 119.914 0.136 0.000 2.971 238 V HA 0.379 4.992 4.120 0.822 0.000 0.309 238 V C -0.486 175.669 176.094 0.103 0.000 1.130 238 V CA -0.303 62.064 62.300 0.112 0.000 0.964 238 V CB 2.755 34.629 31.823 0.086 0.000 1.029 238 V HN 0.760 nan 8.190 nan 0.000 0.427 239 S N 3.056 118.835 115.700 0.132 0.000 2.475 239 S HA 0.432 5.395 4.470 0.822 0.000 0.281 239 S C -0.175 174.537 174.600 0.186 0.000 1.198 239 S CA -0.114 58.195 58.200 0.183 0.000 1.063 239 S CB 1.312 64.661 63.200 0.247 0.000 0.972 239 S HN 0.829 nan 8.310 nan 0.000 0.486 240 S N 3.859 119.635 115.700 0.126 0.000 2.532 240 S HA 0.568 5.531 4.470 0.822 0.000 0.318 240 S C -0.811 173.832 174.600 0.073 0.000 1.083 240 S CA -0.800 57.408 58.200 0.014 0.000 1.131 240 S CB -0.265 62.913 63.200 -0.036 0.000 0.973 240 S HN 0.603 nan 8.310 nan 0.000 0.468 241 Y N 0.719 121.029 120.300 0.017 0.000 2.549 241 Y HA 0.691 5.737 4.550 0.826 0.000 0.339 241 Y C -0.203 175.708 175.900 0.018 0.000 1.053 241 Y CA -1.614 56.499 58.100 0.022 0.000 1.105 241 Y CB 0.120 38.599 38.460 0.032 0.000 1.258 241 Y HN 0.272 nan 8.280 nan 0.000 0.478 242 D N 1.671 122.163 120.400 0.152 0.000 2.533 242 D HA 0.297 5.431 4.640 0.822 0.000 0.236 242 D C -0.174 176.163 176.300 0.062 0.000 1.137 242 D CA 0.467 54.508 54.000 0.068 0.000 0.867 242 D CB 0.995 41.844 40.800 0.082 0.000 1.170 242 D HN 0.651 nan 8.370 nan 0.000 0.474 243 V N -0.568 119.340 119.914 -0.011 0.000 3.102 243 V HA 0.355 4.968 4.120 0.822 0.000 0.312 243 V C 1.211 177.300 176.094 -0.007 0.000 1.135 243 V CA -0.965 61.330 62.300 -0.008 0.000 1.022 243 V CB 2.003 33.791 31.823 -0.059 0.000 1.056 243 V HN 0.531 nan 8.190 nan 0.000 0.436 244 E N 0.727 120.923 120.200 -0.006 0.000 2.077 244 E HA -0.089 4.754 4.350 0.822 0.000 0.193 244 E C 0.754 177.324 176.600 -0.050 0.000 0.989 244 E CA 1.643 58.029 56.400 -0.025 0.000 0.800 244 E CB 0.196 29.876 29.700 -0.033 0.000 0.746 244 E HN 0.877 nan 8.360 nan 0.000 0.452 245 T N -1.103 113.423 114.554 -0.047 0.000 2.886 245 T HA 0.162 5.005 4.350 0.822 0.000 0.292 245 T C 0.795 175.478 174.700 -0.028 0.000 1.012 245 T CA -0.063 61.998 62.100 -0.065 0.000 0.982 245 T CB 1.586 70.413 68.868 -0.067 0.000 1.018 245 T HN 0.176 nan 8.240 nan 0.000 0.451 246 S N 3.645 119.295 115.700 -0.084 0.000 2.420 246 S HA -0.164 4.799 4.470 0.822 0.000 0.237 246 S C 1.516 176.245 174.600 0.215 0.000 1.023 246 S CA 1.124 59.320 58.200 -0.006 0.000 0.991 246 S CB -1.031 62.129 63.200 -0.067 0.000 0.792 246 S HN 0.866 nan 8.310 nan 0.000 0.488 247 Y N 2.014 122.492 120.300 0.297 0.000 2.556 247 Y HA -0.045 4.990 4.550 0.808 0.000 0.290 247 Y C 2.585 178.723 175.900 0.396 0.000 1.149 247 Y CA 0.937 59.248 58.100 0.351 0.000 1.329 247 Y CB -0.390 38.102 38.460 0.052 0.000 0.975 247 Y HN 0.433 nan 8.280 nan 0.000 0.561 248 E N -0.456 119.941 120.200 0.328 0.000 2.285 248 E HA -0.117 4.727 4.350 0.822 0.000 0.194 248 E C 2.160 178.894 176.600 0.224 0.000 0.997 248 E CA 0.637 57.181 56.400 0.240 0.000 0.845 248 E CB 0.006 29.761 29.700 0.091 0.000 0.782 248 E HN 0.269 nan 8.360 nan 0.000 0.491 249 V N 1.772 121.812 119.914 0.210 0.000 2.324 249 V HA -0.228 4.385 4.120 0.822 0.000 0.250 249 V C -0.855 175.305 176.094 0.109 0.000 1.060 249 V CA 2.061 64.417 62.300 0.094 0.000 1.042 249 V CB -1.382 30.475 31.823 0.058 0.000 0.650 249 V HN 0.209 nan 8.190 nan 0.000 0.450 250 P HA -0.155 nan 4.420 nan 0.000 0.214 250 P C 1.853 179.194 177.300 0.069 0.000 1.163 250 P CA 1.596 64.739 63.100 0.072 0.000 0.883 250 P CB -0.055 31.610 31.700 -0.058 0.000 0.788 251 I N -0.213 120.461 120.570 0.173 0.000 2.113 251 I HA -0.268 4.395 4.170 0.822 0.000 0.242 251 I C 2.393 178.566 176.117 0.093 0.000 1.064 251 I CA 1.693 63.085 61.300 0.154 0.000 1.320 251 I CB -0.792 37.337 38.000 0.216 0.000 1.028 251 I HN -0.072 nan 8.210 nan 0.000 0.406 252 I N -0.500 120.111 120.570 0.069 0.000 2.567 252 I HA -0.227 4.436 4.170 0.822 0.000 0.257 252 I C 2.107 178.249 176.117 0.043 0.000 1.184 252 I CA 1.543 62.873 61.300 0.052 0.000 1.451 252 I CB -0.234 37.731 38.000 -0.058 0.000 1.089 252 I HN 0.185 nan 8.210 nan 0.000 0.441 253 L N 0.580 121.811 121.223 0.012 0.000 2.179 253 L HA -0.011 4.823 4.340 0.822 0.000 0.208 253 L C 2.608 179.476 176.870 -0.004 0.000 1.096 253 L CA 0.690 55.524 54.840 -0.010 0.000 0.779 253 L CB -0.640 41.391 42.059 -0.048 0.000 0.922 253 L HN 0.214 nan 8.230 nan 0.000 0.443 254 E N -0.037 120.168 120.200 0.007 0.000 2.208 254 E HA -0.104 4.739 4.350 0.822 0.000 0.193 254 E C 2.354 178.974 176.600 0.032 0.000 0.988 254 E CA 0.769 57.175 56.400 0.011 0.000 0.828 254 E CB 0.081 29.790 29.700 0.015 0.000 0.763 254 E HN 0.299 nan 8.360 nan 0.000 0.478 255 S N 0.969 116.700 115.700 0.052 0.000 2.368 255 S HA -0.119 4.844 4.470 0.822 0.000 0.224 255 S C 1.807 176.444 174.600 0.060 0.000 1.029 255 S CA 0.891 59.129 58.200 0.064 0.000 0.988 255 S CB -0.041 63.212 63.200 0.088 0.000 0.838 255 S HN 0.307 nan 8.310 nan 0.000 0.462 256 Q N 0.259 120.096 119.800 0.062 0.000 2.451 256 Q HA 0.164 4.997 4.340 0.822 0.000 0.206 256 Q C -0.107 175.918 176.000 0.041 0.000 0.947 256 Q CA 0.173 56.013 55.803 0.062 0.000 0.937 256 Q CB 0.066 28.849 28.738 0.075 0.000 1.025 256 Q HN 0.350 nan 8.270 nan 0.000 0.511 257 K N -0.519 119.894 120.400 0.021 0.000 3.160 257 K HA -0.238 4.575 4.320 0.822 0.000 0.280 257 K C 0.767 177.353 176.600 -0.024 0.000 1.154 257 K CA 0.378 56.669 56.287 0.006 0.000 0.822 257 K CB -1.595 30.922 32.500 0.028 0.000 1.239 257 K HN 0.206 nan 8.250 nan 0.000 0.489 258 L N -0.009 121.180 121.223 -0.056 0.000 1.997 258 L HA -0.225 4.608 4.340 0.822 0.000 0.216 258 L C 1.855 178.586 176.870 -0.231 0.000 1.074 258 L CA 2.094 56.843 54.840 -0.150 0.000 0.763 258 L CB -0.308 41.646 42.059 -0.175 0.000 0.890 258 L HN 0.212 nan 8.230 nan 0.000 0.434 259 V N -0.890 118.916 119.914 -0.180 0.000 2.594 259 V HA -0.253 4.360 4.120 0.822 0.000 0.253 259 V C 2.643 178.657 176.094 -0.133 0.000 1.069 259 V CA 1.796 63.984 62.300 -0.187 0.000 1.082 259 V CB -0.380 31.358 31.823 -0.142 0.000 0.680 259 V HN 0.546 nan 8.190 nan 0.000 0.469 260 S N -0.861 114.794 115.700 -0.074 0.000 2.383 260 S HA -0.143 4.820 4.470 0.822 0.000 0.227 260 S C 2.002 176.602 174.600 0.000 0.000 1.026 260 S CA 1.173 59.359 58.200 -0.024 0.000 0.981 260 S CB -0.125 63.079 63.200 0.006 0.000 0.818 260 S HN 0.591 nan 8.310 nan 0.000 0.472 261 K N 0.692 121.092 120.400 -0.000 0.000 2.097 261 K HA 0.054 4.867 4.320 0.822 0.000 0.205 261 K C 1.886 178.555 176.600 0.116 0.000 1.050 261 K CA 0.974 57.322 56.287 0.103 0.000 0.938 261 K CB -0.226 32.370 32.500 0.160 0.000 0.718 261 K HN 0.367 nan 8.250 nan 0.000 0.442 262 I N 0.732 121.219 120.570 -0.138 0.000 2.202 262 I HA -0.260 4.403 4.170 0.822 0.000 0.242 262 I C 2.128 178.222 176.117 -0.039 0.000 1.091 262 I CA 0.694 61.889 61.300 -0.174 0.000 1.368 262 I CB -0.178 37.555 38.000 -0.446 0.000 1.058 262 I HN 0.076 nan 8.210 nan 0.000 0.410 263 L N 0.536 121.712 121.223 -0.078 0.000 2.079 263 L HA -0.224 4.609 4.340 0.822 0.000 0.210 263 L C 2.779 179.636 176.870 -0.022 0.000 1.081 263 L CA 1.877 56.665 54.840 -0.086 0.000 0.752 263 L CB -1.063 40.954 42.059 -0.070 0.000 0.896 263 L HN 0.260 nan 8.230 nan 0.000 0.433 264 S N -0.424 115.297 115.700 0.034 0.000 2.344 264 S HA -0.273 4.690 4.470 0.822 0.000 0.217 264 S C 2.231 176.877 174.600 0.076 0.000 1.033 264 S CA 1.302 59.539 58.200 0.062 0.000 1.017 264 S CB -0.323 62.934 63.200 0.095 0.000 0.941 264 S HN 0.398 nan 8.310 nan 0.000 0.430 265 R N 0.685 121.266 120.500 0.135 0.000 2.276 265 R HA 0.041 4.874 4.340 0.822 0.000 0.243 265 R C 1.498 177.847 176.300 0.082 0.000 1.161 265 R CA 1.441 57.627 56.100 0.142 0.000 1.007 265 R CB -0.604 29.842 30.300 0.243 0.000 0.867 265 R HN 0.577 nan 8.270 nan 0.000 0.472 266 L N -0.531 120.717 121.223 0.042 0.000 2.693 266 L HA 0.244 5.077 4.340 0.822 0.000 0.235 266 L C -0.121 176.739 176.870 -0.016 0.000 1.127 266 L CA -0.409 54.428 54.840 -0.006 0.000 0.914 266 L CB 0.275 42.295 42.059 -0.064 0.000 1.193 266 L HN 0.027 nan 8.230 nan 0.000 0.502 267 K N 1.299 121.702 120.400 0.006 0.000 3.419 267 K HA -0.140 4.673 4.320 0.822 0.000 0.272 267 K C -1.029 175.572 176.600 0.002 0.000 0.973 267 K CA 0.742 57.034 56.287 0.010 0.000 0.749 267 K CB -1.495 31.012 32.500 0.012 0.000 1.403 267 K HN 0.232 nan 8.250 nan 0.000 0.456 268 L N 0.186 121.406 121.223 -0.005 0.000 2.350 268 L HA 0.589 5.422 4.340 0.822 0.000 0.260 268 L C -0.144 176.774 176.870 0.079 0.000 1.015 268 L CA -0.891 53.963 54.840 0.023 0.000 0.821 268 L CB 2.244 44.244 42.059 -0.099 0.000 1.370 268 L HN 0.346 nan 8.230 nan 0.000 0.416 269 E N 0.458 120.755 120.200 0.163 0.000 2.274 269 E HA 0.642 5.485 4.350 0.822 0.000 0.269 269 E C -1.900 174.787 176.600 0.145 0.000 0.891 269 E CA -0.698 55.781 56.400 0.130 0.000 0.784 269 E CB 2.697 32.439 29.700 0.070 0.000 1.225 269 E HN 0.440 nan 8.360 nan 0.000 0.412 270 D N 1.067 121.547 120.400 0.134 0.000 2.738 270 D HA 0.544 5.677 4.640 0.822 0.000 0.308 270 D C -1.041 175.294 176.300 0.058 0.000 1.311 270 D CA -0.358 53.676 54.000 0.057 0.000 0.799 270 D CB 2.160 42.945 40.800 -0.025 0.000 1.332 270 D HN 0.446 nan 8.370 nan 0.000 0.441 271 R N -0.225 120.286 120.500 0.019 0.000 4.515 271 R HA 0.277 5.110 4.340 0.822 0.000 0.248 271 R C -1.498 174.802 176.300 0.000 0.000 0.909 271 R CA 0.087 56.198 56.100 0.019 0.000 0.654 271 R CB -0.506 29.807 30.300 0.021 0.000 2.007 271 R HN 0.418 nan 8.270 nan 0.000 0.372 272 Q N 0.177 119.979 119.800 0.003 0.000 2.382 272 Q HA -0.126 4.707 4.340 0.822 0.000 0.345 272 Q C -1.512 174.485 176.000 -0.005 0.000 1.281 272 Q CA 0.983 56.786 55.803 -0.001 0.000 1.011 272 Q CB -0.654 28.081 28.738 -0.005 0.000 1.113 272 Q HN 0.360 nan 8.270 nan 0.000 0.299 273 V N 2.885 122.798 119.914 -0.001 0.000 2.459 273 V HA 0.499 5.112 4.120 0.822 0.000 0.295 273 V C -0.823 175.273 176.094 0.004 0.000 1.029 273 V CA -0.428 61.868 62.300 -0.006 0.000 0.874 273 V CB 2.112 33.927 31.823 -0.013 0.000 0.985 273 V HN 0.621 nan 8.190 nan 0.000 0.438 274 D N 4.542 124.947 120.400 0.007 0.000 2.349 274 D HA 0.393 5.526 4.640 0.822 0.000 0.232 274 D C 0.554 176.880 176.300 0.044 0.000 1.071 274 D CA -0.194 53.822 54.000 0.026 0.000 0.832 274 D CB 1.459 42.275 40.800 0.026 0.000 1.086 274 D HN 0.511 nan 8.370 nan 0.000 0.504 275 L N 2.834 124.098 121.223 0.069 0.000 2.640 275 L HA 0.085 4.918 4.340 0.822 0.000 0.230 275 L C 1.878 178.859 176.870 0.185 0.000 1.123 275 L CA -0.006 54.914 54.840 0.134 0.000 0.900 275 L CB 0.064 42.202 42.059 0.131 0.000 1.146 275 L HN 0.444 nan 8.230 nan 0.000 0.484 276 T N -0.212 114.412 114.554 0.118 0.000 2.721 276 T HA -0.273 4.570 4.350 0.822 0.000 0.268 276 T C 1.372 176.139 174.700 0.111 0.000 1.038 276 T CA 2.099 64.258 62.100 0.099 0.000 1.145 276 T CB -0.137 68.768 68.868 0.062 0.000 0.858 276 T HN 0.324 nan 8.240 nan 0.000 0.459 277 D N -0.628 119.846 120.400 0.124 0.000 2.219 277 D HA -0.053 5.080 4.640 0.822 0.000 0.205 277 D C 1.580 177.995 176.300 0.191 0.000 0.970 277 D CA 0.583 54.657 54.000 0.123 0.000 0.851 277 D CB 0.028 40.891 40.800 0.104 0.000 0.943 277 D HN 0.513 nan 8.370 nan 0.000 0.488 278 W N 0.457 121.784 121.300 0.045 0.000 2.630 278 W HA 0.056 5.201 4.660 0.809 0.000 0.271 278 W C 1.492 178.088 176.519 0.128 0.000 1.244 278 W CA 0.229 57.625 57.345 0.085 0.000 1.353 278 W CB -0.103 29.386 29.460 0.047 0.000 1.080 278 W HN -0.073 nan 8.180 nan 0.000 0.594 279 I N 1.104 121.804 120.570 0.216 0.000 2.163 279 I HA -0.347 4.316 4.170 0.822 0.000 0.243 279 I C 2.432 178.532 176.117 -0.029 0.000 1.085 279 I CA 1.717 63.069 61.300 0.088 0.000 1.347 279 I CB -0.960 37.106 38.000 0.111 0.000 1.044 279 I HN -0.162 nan 8.210 nan 0.000 0.408 280 S N 1.058 116.761 115.700 0.004 0.000 2.359 280 S HA -0.237 4.726 4.470 0.822 0.000 0.224 280 S C 1.881 176.428 174.600 -0.088 0.000 1.035 280 S CA 1.661 59.842 58.200 -0.032 0.000 1.018 280 S CB -0.616 62.586 63.200 0.002 0.000 0.876 280 S HN 0.489 nan 8.310 nan 0.000 0.448 281 F N 2.614 122.428 119.950 -0.227 0.000 2.161 281 F HA -0.118 4.900 4.527 0.817 0.000 0.300 281 F C 2.013 177.578 175.800 -0.392 0.000 1.089 281 F CA 0.921 58.725 58.000 -0.327 0.000 1.282 281 F CB -0.525 38.194 39.000 -0.468 0.000 1.010 281 F HN -0.028 nan 8.300 nan 0.000 0.485 282 V N 1.164 120.662 119.914 -0.693 0.000 2.358 282 V HA -0.303 4.310 4.120 0.822 0.000 0.246 282 V C 2.286 178.119 176.094 -0.435 0.000 1.047 282 V CA 2.102 64.002 62.300 -0.668 0.000 1.035 282 V CB -0.871 30.732 31.823 -0.366 0.000 0.658 282 V HN 0.378 nan 8.190 nan 0.000 0.452 283 N N 0.930 119.461 118.700 -0.281 0.000 2.104 283 N HA -0.152 5.081 4.740 0.822 0.000 0.190 283 N C 1.644 177.026 175.510 -0.212 0.000 1.024 283 N CA 1.504 54.440 53.050 -0.190 0.000 0.853 283 N CB -0.561 37.855 38.487 -0.119 0.000 1.008 283 N HN 0.506 nan 8.380 nan 0.000 0.424 284 N N 1.366 119.911 118.700 -0.257 0.000 2.104 284 N HA -0.092 5.141 4.740 0.822 0.000 0.190 284 N C 1.774 177.128 175.510 -0.259 0.000 1.024 284 N CA 0.549 53.466 53.050 -0.222 0.000 0.853 284 N CB -0.385 37.988 38.487 -0.190 0.000 1.008 284 N HN 0.225 nan 8.380 nan 0.000 0.424 285 I N 1.555 121.867 120.570 -0.430 0.000 2.264 285 I HA -0.218 4.445 4.170 0.822 0.000 0.248 285 I C 1.545 177.502 176.117 -0.267 0.000 1.111 285 I CA 1.309 62.373 61.300 -0.394 0.000 1.382 285 I CB -0.594 37.068 38.000 -0.563 0.000 1.060 285 I HN 0.193 nan 8.210 nan 0.000 0.418 286 K N 0.217 120.478 120.400 -0.231 0.000 2.487 286 K HA 0.123 4.936 4.320 0.822 0.000 0.192 286 K C 1.275 177.806 176.600 -0.115 0.000 1.027 286 K CA 0.646 56.840 56.287 -0.154 0.000 1.054 286 K CB 0.053 32.480 32.500 -0.123 0.000 0.824 286 K HN 0.474 nan 8.250 nan 0.000 0.510 287 G N 1.760 110.489 108.800 -0.119 0.000 2.157 287 G HA2 -0.258 4.195 3.960 0.822 0.000 0.248 287 G HA3 -0.258 4.195 3.960 0.822 0.000 0.248 287 G C 0.169 175.028 174.900 -0.069 0.000 0.979 287 G CA -0.380 44.670 45.100 -0.083 0.000 0.650 287 G HN 0.250 nan 8.290 nan 0.000 0.529 288 I N 1.080 121.603 120.570 -0.077 0.000 2.662 288 I HA 0.041 4.704 4.170 0.822 0.000 0.285 288 I C 0.949 177.031 176.117 -0.059 0.000 1.161 288 I CA 0.402 61.665 61.300 -0.062 0.000 1.415 288 I CB 0.200 38.162 38.000 -0.063 0.000 1.385 288 I HN 0.248 nan 8.210 nan 0.000 0.552 289 N N 2.613 121.285 118.700 -0.046 0.000 2.829 289 N HA -0.173 5.060 4.740 0.822 0.000 0.250 289 N C 0.270 175.754 175.510 -0.044 0.000 1.090 289 N CA 0.904 53.929 53.050 -0.043 0.000 0.781 289 N CB -1.077 37.382 38.487 -0.046 0.000 1.124 289 N HN 0.684 nan 8.380 nan 0.000 0.559 290 S N 0.054 115.728 115.700 -0.043 0.000 2.546 290 S HA 0.082 5.045 4.470 0.822 0.000 0.290 290 S C 1.412 175.993 174.600 -0.032 0.000 1.290 290 S CA 0.245 58.421 58.200 -0.039 0.000 1.069 290 S CB 0.735 63.913 63.200 -0.037 0.000 0.846 290 S HN 0.226 nan 8.310 nan 0.000 0.495 291 K N 3.032 123.413 120.400 -0.032 0.000 2.228 291 K HA 0.070 4.883 4.320 0.822 0.000 0.202 291 K C 0.376 176.961 176.600 -0.025 0.000 1.051 291 K CA 0.747 57.017 56.287 -0.028 0.000 0.960 291 K CB -0.010 32.472 32.500 -0.029 0.000 0.743 291 K HN 0.798 nan 8.250 nan 0.000 0.458 292 K N -1.190 119.196 120.400 -0.024 0.000 2.772 292 K HA 0.172 4.985 4.320 0.822 0.000 0.292 292 K C -1.516 175.072 176.600 -0.020 0.000 1.049 292 K CA -0.800 55.474 56.287 -0.022 0.000 0.846 292 K CB 1.079 33.565 32.500 -0.023 0.000 1.514 292 K HN -0.298 nan 8.250 nan 0.000 0.373 293 T N 1.986 116.529 114.554 -0.018 0.000 2.829 293 T HA 0.578 5.421 4.350 0.822 0.000 0.282 293 T C -0.040 174.648 174.700 -0.020 0.000 0.990 293 T CA -0.773 61.318 62.100 -0.014 0.000 1.028 293 T CB 0.348 69.211 68.868 -0.008 0.000 0.951 293 T HN 0.506 nan 8.240 nan 0.000 0.460 294 I N 0.268 120.825 120.570 -0.021 0.000 2.545 294 I HA 0.666 5.329 4.170 0.822 0.000 0.292 294 I C -1.106 174.993 176.117 -0.029 0.000 1.040 294 I CA -1.144 60.134 61.300 -0.037 0.000 1.068 294 I CB 2.039 40.001 38.000 -0.063 0.000 1.251 294 I HN 0.250 nan 8.210 nan 0.000 0.424 295 N N 6.169 124.849 118.700 -0.034 0.000 2.419 295 N HA 0.639 5.872 4.740 0.822 0.000 0.277 295 N C -1.044 174.441 175.510 -0.041 0.000 1.006 295 N CA -0.224 52.808 53.050 -0.031 0.000 0.923 295 N CB 1.901 40.375 38.487 -0.022 0.000 1.140 295 N HN 0.581 nan 8.380 nan 0.000 0.488 296 I N 1.179 121.715 120.570 -0.056 0.000 2.406 296 I HA 0.494 5.157 4.170 0.822 0.000 0.290 296 I C 0.099 176.143 176.117 -0.123 0.000 0.999 296 I CA -0.847 60.423 61.300 -0.050 0.000 1.124 296 I CB 1.795 39.782 38.000 -0.021 0.000 1.289 296 I HN 0.434 nan 8.210 nan 0.000 0.441 297 A N 7.082 129.853 122.820 -0.082 0.000 2.331 297 A HA 0.809 5.622 4.320 0.822 0.000 0.283 297 A C -0.833 176.634 177.584 -0.196 0.000 1.142 297 A CA -0.274 51.685 52.037 -0.131 0.000 0.812 297 A CB 0.226 19.190 19.000 -0.060 0.000 1.074 297 A HN 0.589 nan 8.150 nan 0.000 0.497 298 L N 3.091 124.126 121.223 -0.314 0.000 2.316 298 L HA 0.446 5.279 4.340 0.822 0.000 0.280 298 L C -0.540 176.249 176.870 -0.135 0.000 1.006 298 L CA -0.197 54.446 54.840 -0.328 0.000 0.836 298 L CB 1.777 43.422 42.059 -0.689 0.000 1.221 298 L HN 0.395 nan 8.230 nan 0.000 0.418 299 V N 2.704 122.565 119.914 -0.088 0.000 2.370 299 V HA 0.990 5.603 4.120 0.822 0.000 0.283 299 V C 0.533 176.620 176.094 -0.010 0.000 1.023 299 V CA -0.057 62.233 62.300 -0.017 0.000 0.857 299 V CB 0.789 32.612 31.823 0.000 0.000 0.985 299 V HN 0.924 nan 8.190 nan 0.000 0.443 300 G N 4.707 113.527 108.800 0.034 0.000 2.356 300 G HA2 0.385 4.838 3.960 0.822 0.000 0.281 300 G HA3 0.385 4.838 3.960 0.822 0.000 0.281 300 G C -1.410 173.533 174.900 0.071 0.000 1.246 300 G CA -0.614 44.518 45.100 0.052 0.000 0.889 300 G HN 0.705 nan 8.290 nan 0.000 0.486 301 K N -1.411 119.022 120.400 0.054 0.000 2.258 301 K HA 0.680 5.493 4.320 0.822 0.000 0.236 301 K C -0.198 176.460 176.600 0.097 0.000 1.008 301 K CA -0.898 55.332 56.287 -0.095 0.000 0.869 301 K CB 1.631 33.853 32.500 -0.463 0.000 1.171 301 K HN 1.014 nan 8.250 nan 0.000 0.447 302 Y N -1.291 119.124 120.300 0.192 0.000 4.668 302 Y HA -0.292 4.749 4.550 0.818 0.000 0.234 302 Y C 1.344 177.328 175.900 0.141 0.000 1.056 302 Y CA 0.499 58.700 58.100 0.169 0.000 2.025 302 Y CB -2.299 36.236 38.460 0.124 0.000 1.613 302 Y HN 0.918 nan 8.280 nan 0.000 0.653 303 T N -2.972 111.739 114.554 0.261 0.000 3.051 303 T HA -0.113 4.730 4.350 0.822 0.000 0.269 303 T C 1.273 175.855 174.700 -0.197 0.000 1.127 303 T CA 1.414 63.571 62.100 0.095 0.000 1.107 303 T CB -0.034 69.010 68.868 0.295 0.000 0.898 303 T HN 0.456 nan 8.240 nan 0.000 0.517 304 K N 0.046 120.417 120.400 -0.048 0.000 2.305 304 K HA 0.349 5.162 4.320 0.822 0.000 0.199 304 K C 0.616 177.136 176.600 -0.133 0.000 1.047 304 K CA -0.095 56.137 56.287 -0.091 0.000 0.976 304 K CB -0.024 32.480 32.500 0.007 0.000 0.765 304 K HN 0.322 nan 8.250 nan 0.000 0.474 305 L N 1.446 122.601 121.223 -0.113 0.000 2.349 305 L HA 0.040 4.873 4.340 0.822 0.000 0.275 305 L C 1.071 177.821 176.870 -0.200 0.000 1.115 305 L CA -0.116 54.629 54.840 -0.158 0.000 0.820 305 L CB 0.740 42.684 42.059 -0.192 0.000 1.135 305 L HN -0.091 nan 8.230 nan 0.000 0.445 306 K N 1.965 122.266 120.400 -0.165 0.000 2.009 306 K HA -0.129 4.684 4.320 0.822 0.000 0.210 306 K C 0.622 177.167 176.600 -0.090 0.000 1.049 306 K CA 1.770 57.978 56.287 -0.133 0.000 0.929 306 K CB -0.011 32.448 32.500 -0.067 0.000 0.714 306 K HN 0.718 nan 8.250 nan 0.000 0.440 307 D N -0.305 120.047 120.400 -0.081 0.000 2.342 307 D HA 0.075 5.208 4.640 0.822 0.000 0.221 307 D C 1.177 177.428 176.300 -0.083 0.000 1.101 307 D CA 0.148 54.122 54.000 -0.043 0.000 0.837 307 D CB 0.410 41.191 40.800 -0.032 0.000 0.938 307 D HN -0.079 nan 8.370 nan 0.000 0.508 308 S N -0.368 115.243 115.700 -0.149 0.000 2.442 308 S HA -0.109 4.854 4.470 0.822 0.000 0.236 308 S C 0.412 174.728 174.600 -0.474 0.000 1.007 308 S CA 0.759 58.768 58.200 -0.320 0.000 0.965 308 S CB 0.013 63.004 63.200 -0.347 0.000 0.773 308 S HN 0.417 nan 8.310 nan 0.000 0.504 309 Y N -0.923 119.433 120.300 0.094 0.000 2.734 309 Y HA 0.410 5.449 4.550 0.815 0.000 0.251 309 Y C 0.937 176.925 175.900 0.146 0.000 1.049 309 Y CA -0.618 57.578 58.100 0.160 0.000 1.103 309 Y CB -0.157 38.452 38.460 0.249 0.000 1.201 309 Y HN 0.078 nan 8.280 nan 0.000 0.618 310 I N -0.522 120.168 120.570 0.200 0.000 2.248 310 I HA -0.356 4.307 4.170 0.822 0.000 0.248 310 I C 1.932 178.144 176.117 0.158 0.000 1.107 310 I CA 1.816 63.216 61.300 0.167 0.000 1.373 310 I CB 0.234 38.303 38.000 0.115 0.000 1.055 310 I HN 0.232 nan 8.210 nan 0.000 0.418 311 S N 0.490 116.309 115.700 0.198 0.000 2.395 311 S HA -0.002 4.961 4.470 0.822 0.000 0.225 311 S C 1.848 176.431 174.600 -0.029 0.000 1.027 311 S CA 1.173 59.478 58.200 0.175 0.000 0.965 311 S CB -0.262 63.166 63.200 0.380 0.000 0.812 311 S HN 0.435 nan 8.310 nan 0.000 0.482 312 I N 1.594 122.164 120.570 0.000 0.000 2.208 312 I HA -0.252 4.411 4.170 0.822 0.000 0.245 312 I C 2.386 178.386 176.117 -0.195 0.000 1.097 312 I CA 1.249 62.486 61.300 -0.106 0.000 1.363 312 I CB -0.293 37.755 38.000 0.080 0.000 1.051 312 I HN 0.222 nan 8.210 nan 0.000 0.413 313 K N 0.416 120.748 120.400 -0.113 0.000 2.026 313 K HA -0.172 4.641 4.320 0.822 0.000 0.208 313 K C 2.074 178.243 176.600 -0.718 0.000 1.048 313 K CA 1.204 57.262 56.287 -0.382 0.000 0.929 313 K CB -0.189 32.171 32.500 -0.232 0.000 0.713 313 K HN 0.248 nan 8.250 nan 0.000 0.439 314 E N 0.807 120.775 120.200 -0.386 0.000 2.085 314 E HA -0.181 4.662 4.350 0.822 0.000 0.194 314 E C 2.048 178.199 176.600 -0.748 0.000 0.994 314 E CA 1.234 57.409 56.400 -0.376 0.000 0.801 314 E CB -0.354 29.326 29.700 -0.033 0.000 0.743 314 E HN 0.309 nan 8.360 nan 0.000 0.453 315 A N 1.502 124.014 122.820 -0.514 0.000 1.865 315 A HA -0.195 4.618 4.320 0.822 0.000 0.217 315 A C 2.412 179.810 177.584 -0.310 0.000 1.191 315 A CA 1.558 53.297 52.037 -0.496 0.000 0.623 315 A CB -0.870 17.488 19.000 -1.069 0.000 0.826 315 A HN 0.195 nan 8.150 nan 0.000 0.444 316 I N -1.453 118.944 120.570 -0.287 0.000 2.113 316 I HA -0.363 4.300 4.170 0.822 0.000 0.242 316 I C 2.487 178.614 176.117 0.016 0.000 1.064 316 I CA 1.917 63.179 61.300 -0.064 0.000 1.320 316 I CB -0.654 37.266 38.000 -0.134 0.000 1.028 316 I HN 0.429 nan 8.210 nan 0.000 0.406 317 Y N 0.476 120.752 120.300 -0.041 0.000 2.165 317 Y HA -0.270 4.775 4.550 0.825 0.000 0.286 317 Y C 2.658 178.616 175.900 0.097 0.000 1.155 317 Y CA 1.433 59.537 58.100 0.007 0.000 1.164 317 Y CB -1.632 36.848 38.460 0.033 0.000 0.978 317 Y HN 0.351 nan 8.280 nan 0.000 0.513 318 H N -1.038 118.201 119.070 0.282 0.000 2.326 318 H HA -0.045 4.994 4.556 0.805 0.000 0.301 318 H C 2.341 177.786 175.328 0.196 0.000 1.081 318 H CA 0.766 56.956 56.048 0.236 0.000 1.334 318 H CB -0.114 29.714 29.762 0.111 0.000 1.385 318 H HN 0.330 nan 8.280 nan 0.000 0.504 319 A N 0.578 123.552 122.820 0.257 0.000 1.898 319 A HA -0.175 4.638 4.320 0.822 0.000 0.216 319 A C 2.455 180.164 177.584 0.209 0.000 1.181 319 A CA 1.696 53.851 52.037 0.197 0.000 0.620 319 A CB -0.602 18.497 19.000 0.165 0.000 0.819 319 A HN 0.307 nan 8.150 nan 0.000 0.442 320 S N 0.023 115.831 115.700 0.180 0.000 2.368 320 S HA -0.077 4.886 4.470 0.822 0.000 0.225 320 S C 2.300 176.971 174.600 0.119 0.000 1.030 320 S CA 1.277 59.556 58.200 0.132 0.000 0.999 320 S CB -0.484 62.794 63.200 0.130 0.000 0.844 320 S HN 0.800 nan 8.310 nan 0.000 0.459 321 A N 0.333 123.239 122.820 0.143 0.000 1.930 321 A HA -0.093 4.720 4.320 0.822 0.000 0.217 321 A C 1.930 179.578 177.584 0.107 0.000 1.175 321 A CA 1.415 53.493 52.037 0.069 0.000 0.627 321 A CB -0.910 18.097 19.000 0.012 0.000 0.815 321 A HN 0.571 nan 8.150 nan 0.000 0.443 322 Y N 1.174 121.520 120.300 0.076 0.000 2.128 322 Y HA -0.185 4.859 4.550 0.824 0.000 0.284 322 Y C 1.903 177.817 175.900 0.024 0.000 1.154 322 Y CA 2.121 60.255 58.100 0.057 0.000 1.149 322 Y CB -0.144 38.355 38.460 0.065 0.000 0.976 322 Y HN 0.414 nan 8.280 nan 0.000 0.505 323 I N -2.319 118.339 120.570 0.146 0.000 3.812 323 I HA 0.383 5.046 4.170 0.822 0.000 0.320 323 I C 1.189 177.295 176.117 -0.018 0.000 1.276 323 I CA 0.656 61.981 61.300 0.041 0.000 1.164 323 I CB -0.460 37.604 38.000 0.108 0.000 1.009 323 I HN 0.301 nan 8.210 nan 0.000 0.431 324 G N 1.597 110.383 108.800 -0.022 0.000 2.248 324 G HA2 -0.194 4.259 3.960 0.822 0.000 0.263 324 G HA3 -0.194 4.259 3.960 0.822 0.000 0.263 324 G C -0.291 174.592 174.900 -0.029 0.000 1.082 324 G CA 0.270 45.344 45.100 -0.042 0.000 0.863 324 G HN 0.453 nan 8.290 nan 0.000 0.495 325 V N -0.559 119.350 119.914 -0.010 0.000 3.001 325 V HA 0.853 5.466 4.120 0.822 0.000 0.314 325 V C 0.410 176.502 176.094 -0.003 0.000 1.099 325 V CA -1.171 61.122 62.300 -0.010 0.000 0.989 325 V CB 1.929 33.746 31.823 -0.010 0.000 1.040 325 V HN 0.527 nan 8.190 nan 0.000 0.434 326 R N 5.718 126.214 120.500 -0.007 0.000 2.239 326 R HA 0.509 5.343 4.340 0.822 0.000 0.332 326 R C -2.686 173.626 176.300 0.019 0.000 0.988 326 R CA -1.730 54.370 56.100 -0.000 0.000 0.859 326 R CB 1.621 31.912 30.300 -0.014 0.000 1.148 326 R HN 0.516 nan 8.270 nan 0.000 0.482 327 P HA 0.177 nan 4.420 nan 0.000 0.284 327 P C -1.579 175.769 177.300 0.080 0.000 1.253 327 P CA -0.408 62.737 63.100 0.074 0.000 0.800 327 P CB 1.465 33.253 31.700 0.145 0.000 0.961 328 K N 3.774 124.200 120.400 0.043 0.000 2.376 328 K HA 0.432 5.245 4.320 0.822 0.000 0.257 328 K C -0.857 175.739 176.600 -0.007 0.000 0.939 328 K CA -0.741 55.572 56.287 0.043 0.000 0.809 328 K CB 0.987 33.504 32.500 0.027 0.000 1.121 328 K HN 0.456 nan 8.250 nan 0.000 0.425 329 L N 5.365 126.580 121.223 -0.013 0.000 2.292 329 L HA 0.410 5.243 4.340 0.822 0.000 0.284 329 L C -0.222 176.488 176.870 -0.266 0.000 1.065 329 L CA -1.042 53.655 54.840 -0.239 0.000 0.806 329 L CB 1.069 42.919 42.059 -0.349 0.000 1.175 329 L HN 0.487 nan 8.230 nan 0.000 0.431 330 I N 2.313 122.682 120.570 -0.334 0.000 2.330 330 I HA 0.199 4.862 4.170 0.822 0.000 0.286 330 I C -0.480 175.474 176.117 -0.272 0.000 1.025 330 I CA -0.680 60.512 61.300 -0.181 0.000 1.197 330 I CB 0.550 38.494 38.000 -0.095 0.000 1.358 330 I HN 0.539 nan 8.210 nan 0.000 0.467 331 W N 7.303 128.616 121.300 0.022 0.000 2.287 331 W HA 0.524 5.668 4.660 0.806 0.000 0.313 331 W C 0.124 176.649 176.519 0.011 0.000 1.267 331 W CA -0.266 57.089 57.345 0.017 0.000 1.201 331 W CB 0.815 30.300 29.460 0.041 0.000 1.196 331 W HN 0.263 nan 8.180 nan 0.000 0.536 332 I N 3.815 124.504 120.570 0.197 0.000 2.503 332 I HA 0.072 4.735 4.170 0.822 0.000 0.282 332 I C -0.122 176.059 176.117 0.107 0.000 1.059 332 I CA -1.084 60.279 61.300 0.106 0.000 1.081 332 I CB 1.099 39.116 38.000 0.028 0.000 1.210 332 I HN 0.251 nan 8.210 nan 0.000 0.450 333 E N 3.530 123.791 120.200 0.103 0.000 2.465 333 E HA -0.006 4.837 4.350 0.822 0.000 0.260 333 E C 1.154 177.781 176.600 0.044 0.000 0.980 333 E CA 0.159 56.605 56.400 0.075 0.000 0.927 333 E CB 1.019 30.756 29.700 0.061 0.000 0.934 333 E HN 0.714 nan 8.360 nan 0.000 0.459 334 S N 1.150 116.871 115.700 0.036 0.000 2.481 334 S HA -0.158 4.805 4.470 0.822 0.000 0.231 334 S C 1.750 176.360 174.600 0.016 0.000 0.996 334 S CA 1.254 59.469 58.200 0.025 0.000 0.942 334 S CB -0.362 62.859 63.200 0.035 0.000 0.768 334 S HN 0.623 nan 8.310 nan 0.000 0.520 335 T N -0.173 114.390 114.554 0.014 0.000 2.904 335 T HA -0.062 4.781 4.350 0.822 0.000 0.267 335 T C 1.071 175.775 174.700 0.007 0.000 1.059 335 T CA 1.209 63.314 62.100 0.009 0.000 1.137 335 T CB -0.731 68.141 68.868 0.006 0.000 0.879 335 T HN 0.234 nan 8.240 nan 0.000 0.467 336 D N 0.752 121.157 120.400 0.009 0.000 2.403 336 D HA 0.058 5.192 4.640 0.822 0.000 0.227 336 D C 0.978 177.273 176.300 -0.009 0.000 0.995 336 D CA 0.360 54.363 54.000 0.004 0.000 0.928 336 D CB 0.025 40.831 40.800 0.010 0.000 0.887 336 D HN 0.338 nan 8.370 nan 0.000 0.529 337 L N -0.183 121.034 121.223 -0.010 0.000 2.920 337 L HA 0.183 5.016 4.340 0.822 0.000 0.257 337 L C 0.217 177.079 176.870 -0.013 0.000 1.150 337 L CA 0.035 54.861 54.840 -0.023 0.000 0.959 337 L CB 0.153 42.193 42.059 -0.032 0.000 1.321 337 L HN -0.146 nan 8.230 nan 0.000 0.555 338 E N 0.228 120.426 120.200 -0.004 0.000 1.944 338 E HA 0.320 5.163 4.350 0.822 0.000 0.272 338 E C -0.094 176.505 176.600 -0.001 0.000 1.195 338 E CA 0.034 56.434 56.400 -0.000 0.000 0.926 338 E CB 0.281 29.984 29.700 0.005 0.000 1.051 338 E HN -0.035 nan 8.360 nan 0.000 0.404 339 S N 2.612 118.311 115.700 -0.002 0.000 2.333 339 S HA -0.010 4.953 4.470 0.822 0.000 0.250 339 S C -0.314 174.286 174.600 -0.001 0.000 0.959 339 S CA -0.754 57.444 58.200 -0.002 0.000 1.037 339 S CB 0.657 63.854 63.200 -0.005 0.000 1.215 339 S HN 0.546 nan 8.310 nan 0.000 0.410 340 D N 2.953 123.354 120.400 0.002 0.000 2.392 340 D HA 0.026 5.159 4.640 0.822 0.000 0.228 340 D C 1.153 177.455 176.300 0.004 0.000 1.003 340 D CA 1.502 55.504 54.000 0.003 0.000 0.917 340 D CB 0.342 41.144 40.800 0.003 0.000 0.890 340 D HN 0.682 nan 8.370 nan 0.000 0.532 341 T N -3.702 110.853 114.554 0.002 0.000 2.586 341 T HA 0.257 5.100 4.350 0.822 0.000 0.224 341 T C 0.125 174.824 174.700 -0.001 0.000 0.878 341 T CA -0.656 61.445 62.100 0.002 0.000 1.153 341 T CB 0.328 69.197 68.868 0.001 0.000 1.777 341 T HN -0.089 nan 8.240 nan 0.000 0.522 342 K N 1.787 122.186 120.400 -0.002 0.000 3.777 342 K HA -0.188 4.625 4.320 0.822 0.000 0.276 342 K C -0.430 176.161 176.600 -0.014 0.000 0.877 342 K CA 0.057 56.339 56.287 -0.008 0.000 0.724 342 K CB -1.668 30.827 32.500 -0.009 0.000 1.589 342 K HN 0.583 nan 8.250 nan 0.000 0.444 343 N N -0.056 118.638 118.700 -0.009 0.000 2.204 343 N HA 0.125 5.358 4.740 0.822 0.000 0.232 343 N C 1.145 176.630 175.510 -0.042 0.000 1.340 343 N CA 0.755 53.798 53.050 -0.012 0.000 0.883 343 N CB 0.219 38.711 38.487 0.009 0.000 1.109 343 N HN 0.376 nan 8.380 nan 0.000 0.470 344 L N -3.740 117.444 121.223 -0.065 0.000 3.699 344 L HA 0.502 5.335 4.340 0.822 0.000 0.344 344 L C -0.011 176.724 176.870 -0.226 0.000 1.196 344 L CA 0.008 54.752 54.840 -0.161 0.000 1.202 344 L CB -0.360 41.556 42.059 -0.239 0.000 1.592 344 L HN 0.164 nan 8.230 nan 0.000 0.631 345 N N 1.635 120.289 118.700 -0.076 0.000 2.724 345 N HA -0.094 5.139 4.740 0.822 0.000 0.198 345 N C 0.644 176.146 175.510 -0.014 0.000 1.301 345 N CA 1.368 54.432 53.050 0.023 0.000 0.942 345 N CB -0.095 38.477 38.487 0.141 0.000 1.033 345 N HN 0.702 nan 8.380 nan 0.000 0.447 346 E N -0.900 119.256 120.200 -0.074 0.000 2.475 346 E HA 0.226 5.069 4.350 0.822 0.000 0.205 346 E C 1.498 178.052 176.600 -0.075 0.000 0.822 346 E CA -0.038 56.334 56.400 -0.047 0.000 1.240 346 E CB -0.178 29.507 29.700 -0.026 0.000 1.222 346 E HN 0.168 nan 8.360 nan 0.000 0.581 347 I N 0.933 121.434 120.570 -0.114 0.000 2.361 347 I HA -0.164 4.499 4.170 0.822 0.000 0.251 347 I C 1.531 177.562 176.117 -0.144 0.000 1.133 347 I CA 1.319 62.551 61.300 -0.114 0.000 1.413 347 I CB -0.211 37.715 38.000 -0.123 0.000 1.073 347 I HN 0.037 nan 8.210 nan 0.000 0.424 348 L N 0.055 121.130 121.223 -0.247 0.000 2.858 348 L HA 0.311 5.144 4.340 0.822 0.000 0.251 348 L C 2.265 179.083 176.870 -0.087 0.000 1.149 348 L CA 0.049 54.745 54.840 -0.241 0.000 0.955 348 L CB 0.096 41.838 42.059 -0.529 0.000 1.289 348 L HN 0.131 nan 8.230 nan 0.000 0.542 349 G N 1.318 110.085 108.800 -0.055 0.000 2.443 349 G HA2 -0.235 4.218 3.960 0.822 0.000 0.219 349 G HA3 -0.235 4.218 3.960 0.822 0.000 0.219 349 G C 1.334 176.258 174.900 0.041 0.000 1.131 349 G CA 0.883 46.010 45.100 0.046 0.000 0.775 349 G HN 0.536 nan 8.290 nan 0.000 0.547 350 N N 0.808 119.515 118.700 0.011 0.000 2.333 350 N HA -0.045 5.188 4.740 0.822 0.000 0.178 350 N C 1.377 176.894 175.510 0.011 0.000 1.018 350 N CA 0.833 53.889 53.050 0.010 0.000 0.882 350 N CB -0.794 37.692 38.487 -0.001 0.000 0.984 350 N HN 0.357 nan 8.380 nan 0.000 0.434 351 V N 1.331 121.252 119.914 0.012 0.000 2.811 351 V HA 0.175 4.789 4.120 0.822 0.000 0.302 351 V C 0.529 176.639 176.094 0.028 0.000 1.063 351 V CA -0.466 61.841 62.300 0.011 0.000 1.088 351 V CB 0.782 32.611 31.823 0.009 0.000 0.982 351 V HN 0.198 nan 8.190 nan 0.000 0.485 352 N N 2.964 121.663 118.700 -0.002 0.000 2.205 352 N HA 0.310 5.543 4.740 0.822 0.000 0.201 352 N C 0.368 175.847 175.510 -0.052 0.000 1.128 352 N CA 0.670 53.708 53.050 -0.021 0.000 0.867 352 N CB 0.997 39.451 38.487 -0.055 0.000 0.996 352 N HN 1.046 nan 8.380 nan 0.000 0.503 353 G N 0.331 109.125 108.800 -0.011 0.000 2.731 353 G HA2 0.669 5.122 3.960 0.822 0.000 0.298 353 G HA3 0.669 5.122 3.960 0.822 0.000 0.298 353 G C -1.482 173.538 174.900 0.200 0.000 1.424 353 G CA -0.577 44.548 45.100 0.042 0.000 1.029 353 G HN 0.060 nan 8.290 nan 0.000 0.518 354 I N 1.604 122.376 120.570 0.336 0.000 2.533 354 I HA 0.465 5.128 4.170 0.822 0.000 0.290 354 I C -0.845 175.319 176.117 0.078 0.000 1.056 354 I CA -0.747 60.690 61.300 0.229 0.000 1.057 354 I CB 2.452 40.626 38.000 0.291 0.000 1.240 354 I HN 0.223 nan 8.210 nan 0.000 0.423 355 I N 6.210 126.709 120.570 -0.118 0.000 2.436 355 I HA 0.347 5.010 4.170 0.822 0.000 0.289 355 I C -0.489 175.508 176.117 -0.201 0.000 1.010 355 I CA -0.793 60.281 61.300 -0.376 0.000 1.098 355 I CB 2.202 39.921 38.000 -0.469 0.000 1.266 355 I HN 0.172 nan 8.210 nan 0.000 0.434 356 V N 7.197 127.018 119.914 -0.155 0.000 2.432 356 V HA 0.329 4.942 4.120 0.822 0.000 0.275 356 V C 0.349 176.386 176.094 -0.096 0.000 1.043 356 V CA -0.523 61.755 62.300 -0.036 0.000 0.925 356 V CB 1.356 33.249 31.823 0.116 0.000 0.985 356 V HN 0.472 nan 8.190 nan 0.000 0.466 357 L N 7.382 128.559 121.223 -0.077 0.000 2.436 357 L HA 0.328 5.161 4.340 0.822 0.000 0.265 357 L C -1.953 175.002 176.870 0.141 0.000 1.168 357 L CA -1.539 53.253 54.840 -0.080 0.000 0.815 357 L CB 0.552 42.430 42.059 -0.301 0.000 1.109 357 L HN 0.428 nan 8.230 nan 0.000 0.462 358 P HA 0.115 nan 4.420 nan 0.000 0.273 358 P C -0.407 177.168 177.300 0.458 0.000 1.258 358 P CA 0.058 63.411 63.100 0.422 0.000 0.802 358 P CB 0.368 32.346 31.700 0.463 0.000 1.040 359 G N -0.883 108.124 108.800 0.346 0.000 3.439 359 G HA2 -0.066 4.387 3.960 0.822 0.000 0.686 359 G HA3 -0.066 4.387 3.960 0.822 0.000 0.686 359 G C -0.409 174.528 174.900 0.062 0.000 1.075 359 G CA -0.843 44.246 45.100 -0.018 0.000 0.926 359 G HN 0.152 nan 8.290 nan 0.000 0.485 360 F N 1.978 121.766 119.950 -0.271 0.000 2.451 360 F HA 0.811 5.832 4.527 0.823 0.000 0.174 360 F C 2.152 177.542 175.800 -0.684 0.000 0.806 360 F CA 0.490 57.883 58.000 -1.011 0.000 0.999 360 F CB -1.275 37.303 39.000 -0.703 0.000 2.275 360 F HN 1.883 nan 8.300 nan 0.000 0.714 361 G N -0.055 108.575 108.800 -0.284 0.000 2.509 361 G HA2 -0.133 4.320 3.960 0.822 0.000 0.259 361 G HA3 -0.133 4.320 3.960 0.822 0.000 0.259 361 G C 0.480 175.283 174.900 -0.161 0.000 1.169 361 G CA 1.693 46.694 45.100 -0.164 0.000 0.953 361 G HN 1.565 nan 8.290 nan 0.000 0.563 362 S N -1.583 114.088 115.700 -0.048 0.000 2.551 362 S HA 0.180 5.143 4.470 0.822 0.000 0.236 362 S C 1.514 176.138 174.600 0.040 0.000 0.915 362 S CA 1.029 59.252 58.200 0.038 0.000 1.525 362 S CB -0.128 63.087 63.200 0.026 0.000 1.256 362 S HN 0.884 nan 8.310 nan 0.000 0.641 363 R N 1.271 121.773 120.500 0.003 0.000 2.171 363 R HA -0.083 4.751 4.340 0.822 0.000 0.232 363 R C 1.678 177.986 176.300 0.014 0.000 1.116 363 R CA 2.121 58.215 56.100 -0.009 0.000 0.901 363 R CB -0.708 29.560 30.300 -0.054 0.000 0.850 363 R HN 0.474 nan 8.270 nan 0.000 0.431 364 G N -1.386 107.432 108.800 0.029 0.000 4.291 364 G HA2 0.375 4.828 3.960 0.822 0.000 0.304 364 G HA3 0.375 4.828 3.960 0.822 0.000 0.304 364 G C 0.699 175.644 174.900 0.076 0.000 1.264 364 G CA 0.295 45.418 45.100 0.040 0.000 1.039 364 G HN 0.385 nan 8.290 nan 0.000 0.578 365 A N 0.618 123.504 122.820 0.111 0.000 1.940 365 A HA -0.066 4.747 4.320 0.822 0.000 0.219 365 A C 2.195 179.810 177.584 0.051 0.000 1.176 365 A CA 1.490 53.610 52.037 0.138 0.000 0.631 365 A CB -0.067 19.043 19.000 0.182 0.000 0.814 365 A HN 0.329 nan 8.150 nan 0.000 0.446 366 E N -0.500 119.721 120.200 0.036 0.000 2.072 366 E HA -0.105 4.738 4.350 0.822 0.000 0.191 366 E C 2.242 178.846 176.600 0.008 0.000 0.985 366 E CA 1.076 57.484 56.400 0.013 0.000 0.801 366 E CB -0.818 28.889 29.700 0.012 0.000 0.750 366 E HN 0.573 nan 8.360 nan 0.000 0.452 367 G N 1.918 110.726 108.800 0.014 0.000 2.440 367 G HA2 -0.295 4.158 3.960 0.822 0.000 0.218 367 G HA3 -0.295 4.158 3.960 0.822 0.000 0.218 367 G C 1.617 176.521 174.900 0.007 0.000 1.154 367 G CA 0.940 46.045 45.100 0.008 0.000 0.767 367 G HN 0.239 nan 8.290 nan 0.000 0.552 368 K N -0.454 119.955 120.400 0.015 0.000 2.057 368 K HA 0.019 4.832 4.320 0.822 0.000 0.207 368 K C 2.381 178.972 176.600 -0.015 0.000 1.049 368 K CA 0.796 57.087 56.287 0.007 0.000 0.931 368 K CB -0.194 32.311 32.500 0.007 0.000 0.714 368 K HN 0.272 nan 8.250 nan 0.000 0.440 369 I N 1.569 122.122 120.570 -0.029 0.000 2.179 369 I HA -0.287 4.376 4.170 0.822 0.000 0.242 369 I C 2.346 178.455 176.117 -0.014 0.000 1.088 369 I CA 1.423 62.700 61.300 -0.038 0.000 1.357 369 I CB -0.038 37.938 38.000 -0.039 0.000 1.051 369 I HN 0.021 nan 8.210 nan 0.000 0.409 370 K N 0.573 120.973 120.400 0.001 0.000 2.044 370 K HA -0.203 4.610 4.320 0.822 0.000 0.210 370 K C 2.148 178.776 176.600 0.046 0.000 1.049 370 K CA 1.794 58.094 56.287 0.021 0.000 0.927 370 K CB -0.731 31.774 32.500 0.008 0.000 0.713 370 K HN 0.402 nan 8.250 nan 0.000 0.443 371 A N 1.141 123.976 122.820 0.025 0.000 1.948 371 A HA -0.185 4.628 4.320 0.822 0.000 0.220 371 A C 2.285 179.908 177.584 0.065 0.000 1.177 371 A CA 1.799 53.864 52.037 0.048 0.000 0.636 371 A CB -0.587 18.435 19.000 0.036 0.000 0.815 371 A HN 0.342 nan 8.150 nan 0.000 0.449 372 I N -0.991 119.569 120.570 -0.016 0.000 2.353 372 I HA -0.189 4.474 4.170 0.822 0.000 0.248 372 I C 2.451 178.544 176.117 -0.041 0.000 1.119 372 I CA 1.520 62.728 61.300 -0.154 0.000 1.417 372 I CB -0.307 37.573 38.000 -0.199 0.000 1.078 372 I HN 0.371 nan 8.210 nan 0.000 0.421 373 K N 0.959 121.367 120.400 0.013 0.000 2.063 373 K HA -0.279 4.534 4.320 0.822 0.000 0.208 373 K C 2.387 179.045 176.600 0.097 0.000 1.048 373 K CA 1.879 58.185 56.287 0.032 0.000 0.928 373 K CB -0.322 32.203 32.500 0.041 0.000 0.713 373 K HN 0.244 nan 8.250 nan 0.000 0.442 374 Y N 0.425 120.745 120.300 0.033 0.000 2.200 374 Y HA -0.165 4.877 4.550 0.821 0.000 0.290 374 Y C 2.024 178.013 175.900 0.147 0.000 1.137 374 Y CA 1.773 59.927 58.100 0.090 0.000 1.163 374 Y CB -0.209 38.240 38.460 -0.019 0.000 0.988 374 Y HN 0.190 nan 8.280 nan 0.000 0.518 375 A N 0.297 123.246 122.820 0.214 0.000 1.968 375 A HA -0.104 4.709 4.320 0.822 0.000 0.217 375 A C 2.306 179.998 177.584 0.179 0.000 1.169 375 A CA 1.345 53.507 52.037 0.208 0.000 0.638 375 A CB -0.687 18.485 19.000 0.288 0.000 0.812 375 A HN 0.524 nan 8.150 nan 0.000 0.446 376 R N 0.048 120.625 120.500 0.127 0.000 2.066 376 R HA -0.139 4.694 4.340 0.822 0.000 0.232 376 R C 1.885 178.119 176.300 -0.110 0.000 1.131 376 R CA 1.817 57.863 56.100 -0.090 0.000 0.955 376 R CB -0.274 29.804 30.300 -0.370 0.000 0.851 376 R HN 0.633 nan 8.270 nan 0.000 0.432 377 E N -0.981 119.163 120.200 -0.094 0.000 2.107 377 E HA -0.161 4.682 4.350 0.822 0.000 0.191 377 E C 1.372 177.807 176.600 -0.274 0.000 0.982 377 E CA 1.163 57.460 56.400 -0.172 0.000 0.809 377 E CB 0.052 29.651 29.700 -0.168 0.000 0.756 377 E HN 0.559 nan 8.360 nan 0.000 0.459 378 H N -0.079 118.820 119.070 -0.285 0.000 2.539 378 H HA 0.173 5.222 4.556 0.822 0.000 0.269 378 H C 0.097 175.347 175.328 -0.130 0.000 0.980 378 H CA 0.099 55.980 56.048 -0.278 0.000 1.152 378 H CB 0.075 29.518 29.762 -0.531 0.000 1.407 378 H HN 0.111 nan 8.280 nan 0.000 0.564 379 N N 0.955 119.667 118.700 0.020 0.000 2.735 379 N HA -0.164 5.069 4.740 0.822 0.000 0.248 379 N C -0.866 174.717 175.510 0.121 0.000 1.083 379 N CA -0.204 52.888 53.050 0.071 0.000 0.703 379 N CB -0.734 37.772 38.487 0.032 0.000 1.005 379 N HN 0.171 nan 8.380 nan 0.000 0.550 380 I N 1.501 122.163 120.570 0.153 0.000 2.396 380 I HA 0.217 4.880 4.170 0.822 0.000 0.289 380 I C -1.804 174.475 176.117 0.270 0.000 1.056 380 I CA -1.748 59.659 61.300 0.179 0.000 1.365 380 I CB 0.169 38.289 38.000 0.201 0.000 1.407 380 I HN -0.004 nan 8.210 nan 0.000 0.509 381 P HA -0.032 nan 4.420 nan 0.000 0.260 381 P C -0.768 176.825 177.300 0.488 0.000 1.172 381 P CA 0.521 63.794 63.100 0.287 0.000 0.760 381 P CB 0.080 31.729 31.700 -0.085 0.000 0.773 382 F N 5.452 125.668 119.950 0.443 0.000 2.540 382 F HA 0.620 5.644 4.527 0.828 0.000 0.317 382 F C -1.774 174.080 175.800 0.091 0.000 1.104 382 F CA -1.313 56.821 58.000 0.224 0.000 0.913 382 F CB 1.291 40.228 39.000 -0.104 0.000 1.170 382 F HN 0.051 nan 8.300 nan 0.000 0.450 383 L N 5.702 126.216 121.223 -1.181 0.000 2.319 383 L HA 0.811 5.644 4.340 0.822 0.000 0.281 383 L C -0.445 175.407 176.870 -1.697 0.000 1.005 383 L CA -0.275 53.732 54.840 -1.389 0.000 0.828 383 L CB 1.346 42.511 42.059 -1.489 0.000 1.227 383 L HN 0.781 nan 8.230 nan 0.000 0.415 384 G N 5.528 113.477 108.800 -1.418 0.000 2.388 384 G HA2 0.710 5.163 3.960 0.822 0.000 0.330 384 G HA3 0.710 5.163 3.960 0.822 0.000 0.330 384 G C -1.159 173.536 174.900 -0.342 0.000 1.142 384 G CA -0.403 44.290 45.100 -0.679 0.000 0.908 384 G HN 0.564 nan 8.290 nan 0.000 0.473 385 I N 1.341 121.785 120.570 -0.209 0.000 2.534 385 I HA 0.253 4.916 4.170 0.822 0.000 0.286 385 I C 0.598 176.656 176.117 -0.097 0.000 1.094 385 I CA -0.392 60.790 61.300 -0.197 0.000 1.055 385 I CB 1.498 39.352 38.000 -0.244 0.000 1.225 385 I HN 0.902 nan 8.210 nan 0.000 0.435 386 C N 4.860 124.064 119.300 -0.161 0.000 0.296 386 C HA -0.356 4.597 4.460 0.822 0.000 0.022 386 C C 1.880 176.965 174.990 0.159 0.000 0.198 386 C CA 1.331 60.321 59.018 -0.048 0.000 0.507 386 C CB -1.611 26.209 27.740 0.134 0.000 3.212 386 C HN 0.859 nan 8.230 nan 0.000 1.117 387 F N 2.539 122.589 119.950 0.167 0.000 2.307 387 F HA 0.133 5.151 4.527 0.818 0.000 0.301 387 F C 1.834 177.702 175.800 0.113 0.000 1.076 387 F CA 2.730 60.806 58.000 0.127 0.000 1.383 387 F CB -0.873 38.362 39.000 0.392 0.000 1.055 387 F HN 0.601 nan 8.300 nan 0.000 0.526 388 G N -0.101 108.738 108.800 0.065 0.000 2.421 388 G HA2 -0.340 4.113 3.960 0.822 0.000 0.216 388 G HA3 -0.340 4.113 3.960 0.822 0.000 0.216 388 G C 1.727 176.618 174.900 -0.014 0.000 1.171 388 G CA 0.819 45.899 45.100 -0.033 0.000 0.775 388 G HN 0.491 nan 8.290 nan 0.000 0.543 389 F N 1.463 121.335 119.950 -0.129 0.000 2.095 389 F HA -0.142 4.879 4.527 0.823 0.000 0.298 389 F C 2.951 178.682 175.800 -0.116 0.000 1.104 389 F CA 2.209 60.140 58.000 -0.115 0.000 1.232 389 F CB -0.240 38.665 39.000 -0.158 0.000 0.987 389 F HN 0.204 nan 8.300 nan 0.000 0.475 390 Q N 0.628 120.503 119.800 0.125 0.000 2.181 390 Q HA -0.194 4.639 4.340 0.822 0.000 0.205 390 Q C 2.297 178.142 176.000 -0.259 0.000 0.980 390 Q CA 2.040 57.815 55.803 -0.046 0.000 0.862 390 Q CB -0.312 28.461 28.738 0.058 0.000 0.905 390 Q HN 0.537 nan 8.270 nan 0.000 0.429 391 L N -0.231 120.777 121.223 -0.359 0.000 2.131 391 L HA -0.121 4.713 4.340 0.822 0.000 0.206 391 L C 2.360 179.109 176.870 -0.202 0.000 1.087 391 L CA 0.637 55.270 54.840 -0.346 0.000 0.767 391 L CB -0.306 41.486 42.059 -0.446 0.000 0.917 391 L HN 0.163 nan 8.230 nan 0.000 0.441 392 S N 0.499 116.096 115.700 -0.172 0.000 2.359 392 S HA -0.236 4.727 4.470 0.822 0.000 0.223 392 S C 1.935 176.464 174.600 -0.118 0.000 1.039 392 S CA 1.543 59.685 58.200 -0.095 0.000 1.042 392 S CB -0.361 62.800 63.200 -0.064 0.000 0.915 392 S HN 0.199 nan 8.310 nan 0.000 0.439 393 I N 0.737 121.133 120.570 -0.291 0.000 2.335 393 I HA -0.130 4.533 4.170 0.822 0.000 0.251 393 I C 2.234 178.302 176.117 -0.082 0.000 1.129 393 I CA 0.854 62.010 61.300 -0.240 0.000 1.402 393 I CB -0.315 37.471 38.000 -0.356 0.000 1.069 393 I HN 0.115 nan 8.210 nan 0.000 0.424 394 V N -0.009 119.839 119.914 -0.110 0.000 2.283 394 V HA -0.211 4.402 4.120 0.822 0.000 0.243 394 V C 2.543 178.617 176.094 -0.033 0.000 1.039 394 V CA 1.881 64.134 62.300 -0.078 0.000 1.016 394 V CB -0.379 31.381 31.823 -0.107 0.000 0.650 394 V HN 0.452 nan 8.190 nan 0.000 0.449 395 E N -0.307 119.873 120.200 -0.033 0.000 2.097 395 E HA -0.282 4.561 4.350 0.822 0.000 0.196 395 E C 2.104 178.707 176.600 0.004 0.000 1.000 395 E CA 1.973 58.361 56.400 -0.021 0.000 0.804 395 E CB -0.402 29.286 29.700 -0.021 0.000 0.740 395 E HN 0.590 nan 8.360 nan 0.000 0.454 396 F N 1.021 120.904 119.950 -0.112 0.000 2.102 396 F HA -0.181 4.840 4.527 0.823 0.000 0.298 396 F C 2.281 178.031 175.800 -0.083 0.000 1.105 396 F CA 1.721 59.652 58.000 -0.115 0.000 1.239 396 F CB -0.633 38.295 39.000 -0.120 0.000 0.991 396 F HN 0.086 nan 8.300 nan 0.000 0.474 397 A N 1.350 124.207 122.820 0.062 0.000 1.841 397 A HA -0.249 4.564 4.320 0.822 0.000 0.216 397 A C 2.251 179.796 177.584 -0.066 0.000 1.199 397 A CA 2.237 54.279 52.037 0.007 0.000 0.621 397 A CB -0.996 18.028 19.000 0.040 0.000 0.835 397 A HN 0.550 nan 8.150 nan 0.000 0.445 398 R N -1.129 119.338 120.500 -0.054 0.000 2.237 398 R HA -0.031 4.802 4.340 0.822 0.000 0.219 398 R C 0.465 176.713 176.300 -0.087 0.000 1.080 398 R CA 1.531 57.599 56.100 -0.055 0.000 0.995 398 R CB -0.290 29.987 30.300 -0.038 0.000 0.875 398 R HN 0.404 nan 8.270 nan 0.000 0.462 399 D N 0.811 121.130 120.400 -0.135 0.000 2.855 399 D HA -0.037 5.096 4.640 0.822 0.000 0.257 399 D C 2.112 178.270 176.300 -0.237 0.000 1.542 399 D CA 1.212 55.115 54.000 -0.160 0.000 1.164 399 D CB -0.624 40.090 40.800 -0.144 0.000 1.004 399 D HN 0.045 nan 8.370 nan 0.000 0.293 400 V N 0.375 120.059 119.914 -0.383 0.000 2.282 400 V HA -0.180 4.433 4.120 0.822 0.000 0.249 400 V C 2.278 178.130 176.094 -0.404 0.000 1.057 400 V CA 1.605 63.619 62.300 -0.478 0.000 1.032 400 V CB -0.991 30.316 31.823 -0.859 0.000 0.645 400 V HN 0.156 nan 8.190 nan 0.000 0.447 401 L N 1.220 122.189 121.223 -0.423 0.000 2.558 401 L HA 0.468 5.301 4.340 0.822 0.000 0.225 401 L C 1.502 178.292 176.870 -0.133 0.000 1.128 401 L CA 0.865 55.562 54.840 -0.238 0.000 0.868 401 L CB -0.476 41.483 42.059 -0.166 0.000 1.006 401 L HN 0.698 nan 8.230 nan 0.000 0.454 402 G N 1.276 109.994 108.800 -0.138 0.000 2.367 402 G HA2 -0.276 4.177 3.960 0.822 0.000 0.295 402 G HA3 -0.276 4.177 3.960 0.822 0.000 0.295 402 G C -0.087 174.786 174.900 -0.045 0.000 1.019 402 G CA 0.276 45.325 45.100 -0.086 0.000 1.224 402 G HN 0.293 nan 8.290 nan 0.000 0.510 403 L N 1.495 122.702 121.223 -0.027 0.000 2.581 403 L HA 0.233 5.066 4.340 0.822 0.000 0.241 403 L C 1.959 178.831 176.870 0.004 0.000 1.265 403 L CA 0.013 54.861 54.840 0.013 0.000 0.954 403 L CB 0.780 42.882 42.059 0.071 0.000 1.269 403 L HN 0.512 nan 8.230 nan 0.000 0.475 404 S N -0.618 115.078 115.700 -0.008 0.000 2.444 404 S HA -0.202 4.761 4.470 0.822 0.000 0.244 404 S C 1.226 175.825 174.600 -0.003 0.000 1.025 404 S CA 1.287 59.480 58.200 -0.011 0.000 0.995 404 S CB -0.034 63.158 63.200 -0.012 0.000 0.781 404 S HN 0.583 nan 8.310 nan 0.000 0.496 405 E N 1.241 121.446 120.200 0.009 0.000 2.472 405 E HA 0.381 5.224 4.350 0.822 0.000 0.196 405 E C 0.904 177.509 176.600 0.008 0.000 1.033 405 E CA 0.430 56.837 56.400 0.012 0.000 0.886 405 E CB -0.005 29.709 29.700 0.023 0.000 0.944 405 E HN 0.699 nan 8.360 nan 0.000 0.492 406 A N 2.280 125.104 122.820 0.006 0.000 2.587 406 A HA 0.079 4.892 4.320 0.822 0.000 0.233 406 A C 0.388 177.946 177.584 -0.044 0.000 1.049 406 A CA 0.531 52.553 52.037 -0.025 0.000 0.754 406 A CB 0.041 19.025 19.000 -0.026 0.000 0.977 406 A HN 0.173 nan 8.150 nan 0.000 0.509 407 N N -0.655 118.004 118.700 -0.068 0.000 3.533 407 N HA 0.213 5.446 4.740 0.822 0.000 0.229 407 N C -1.057 174.417 175.510 -0.060 0.000 1.418 407 N CA 0.110 53.128 53.050 -0.053 0.000 0.880 407 N CB 1.400 39.874 38.487 -0.022 0.000 1.415 407 N HN 0.694 nan 8.380 nan 0.000 0.491 408 S N -0.860 114.814 115.700 -0.044 0.000 2.584 408 S HA 0.248 5.211 4.470 0.822 0.000 0.273 408 S C 1.479 176.058 174.600 -0.034 0.000 1.311 408 S CA 0.472 58.645 58.200 -0.045 0.000 1.034 408 S CB 0.286 63.438 63.200 -0.081 0.000 0.939 408 S HN 0.565 nan 8.310 nan 0.000 0.513 409 T N 0.994 115.561 114.554 0.022 0.000 2.962 409 T HA -0.075 4.768 4.350 0.822 0.000 0.270 409 T C 1.423 176.150 174.700 0.046 0.000 1.088 409 T CA 1.308 63.455 62.100 0.078 0.000 1.127 409 T CB -0.354 68.617 68.868 0.173 0.000 0.883 409 T HN 0.784 nan 8.240 nan 0.000 0.493 410 E N 0.527 120.611 120.200 -0.194 0.000 2.150 410 E HA -0.082 4.761 4.350 0.822 0.000 0.193 410 E C 1.724 178.249 176.600 -0.124 0.000 0.985 410 E CA 0.894 57.106 56.400 -0.313 0.000 0.814 410 E CB -0.144 28.913 29.700 -1.072 0.000 0.752 410 E HN 0.563 nan 8.360 nan 0.000 0.466 411 I N 0.774 121.295 120.570 -0.080 0.000 2.852 411 I HA -0.053 4.611 4.170 0.822 0.000 0.264 411 I C 0.321 176.442 176.117 0.008 0.000 1.179 411 I CA 0.440 61.736 61.300 -0.007 0.000 1.480 411 I CB 0.340 38.367 38.000 0.045 0.000 1.111 411 I HN 0.015 nan 8.210 nan 0.000 0.441 412 N N -0.496 118.209 118.700 0.009 0.000 3.049 412 N HA 0.166 5.400 4.740 0.822 0.000 0.241 412 N C -2.505 173.022 175.510 0.029 0.000 1.323 412 N CA -1.091 51.970 53.050 0.020 0.000 0.824 412 N CB 1.008 39.505 38.487 0.017 0.000 1.557 412 N HN -0.268 nan 8.380 nan 0.000 0.612 413 P HA 0.084 nan 4.420 nan 0.000 0.239 413 P C 0.287 177.615 177.300 0.047 0.000 1.184 413 P CA 0.629 63.763 63.100 0.056 0.000 0.760 413 P CB 0.288 32.028 31.700 0.066 0.000 0.884 414 N N -1.810 116.912 118.700 0.037 0.000 2.373 414 N HA -0.003 5.230 4.740 0.822 0.000 0.181 414 N C 0.690 176.220 175.510 0.033 0.000 1.082 414 N CA 0.448 53.519 53.050 0.033 0.000 0.885 414 N CB -0.666 37.838 38.487 0.028 0.000 0.977 414 N HN 0.056 nan 8.380 nan 0.000 0.462 415 T N 1.081 115.653 114.554 0.029 0.000 2.923 415 T HA -0.084 4.759 4.350 0.822 0.000 0.320 415 T C 1.381 176.104 174.700 0.039 0.000 1.074 415 T CA 0.589 62.705 62.100 0.027 0.000 1.131 415 T CB 0.677 69.554 68.868 0.015 0.000 1.058 415 T HN 0.133 nan 8.240 nan 0.000 0.535 416 K N 1.620 122.045 120.400 0.043 0.000 2.148 416 K HA 0.002 4.815 4.320 0.822 0.000 0.204 416 K C 0.298 176.957 176.600 0.098 0.000 1.050 416 K CA 0.975 57.297 56.287 0.059 0.000 0.942 416 K CB 0.237 32.767 32.500 0.050 0.000 0.724 416 K HN 0.577 nan 8.250 nan 0.000 0.446 417 D N 1.696 122.154 120.400 0.097 0.000 2.438 417 D HA 0.110 5.243 4.640 0.822 0.000 0.257 417 D C -2.559 173.720 176.300 -0.035 0.000 1.148 417 D CA -1.443 52.648 54.000 0.152 0.000 0.902 417 D CB 1.579 42.503 40.800 0.206 0.000 1.062 417 D HN 0.005 nan 8.370 nan 0.000 0.518 418 P HA -0.020 nan 4.420 nan 0.000 0.249 418 P C 1.034 178.161 177.300 -0.288 0.000 1.737 418 P CA -0.088 62.963 63.100 -0.081 0.000 1.128 418 P CB 0.739 32.453 31.700 0.023 0.000 1.942 419 V N 3.229 122.855 119.914 -0.480 0.000 2.871 419 V HA 0.026 4.639 4.120 0.822 0.000 0.256 419 V C 0.757 176.692 176.094 -0.264 0.000 1.082 419 V CA 1.201 63.084 62.300 -0.694 0.000 1.105 419 V CB -0.132 31.325 31.823 -0.610 0.000 0.713 419 V HN 0.168 nan 8.190 nan 0.000 0.473 420 I N 0.563 121.056 120.570 -0.128 0.000 2.466 420 I HA 0.561 5.224 4.170 0.822 0.000 0.289 420 I C -0.254 175.920 176.117 0.095 0.000 1.026 420 I CA 0.198 61.504 61.300 0.010 0.000 1.078 420 I CB 1.152 39.164 38.000 0.020 0.000 1.249 420 I HN 0.179 nan 8.210 nan 0.000 0.429 421 T N 6.027 120.691 114.554 0.182 0.000 2.718 421 T HA 0.572 5.415 4.350 0.822 0.000 0.306 421 T C -1.094 173.718 174.700 0.187 0.000 1.485 421 T CA -0.504 61.744 62.100 0.247 0.000 0.997 421 T CB 1.182 70.127 68.868 0.129 0.000 1.504 421 T HN 0.302 nan 8.240 nan 0.000 0.497 422 L N 1.992 123.253 121.223 0.064 0.000 2.436 422 L HA 0.609 5.442 4.340 0.822 0.000 0.265 422 L C -0.841 176.019 176.870 -0.018 0.000 1.168 422 L CA -0.799 53.983 54.840 -0.098 0.000 0.815 422 L CB 0.394 42.327 42.059 -0.211 0.000 1.109 422 L HN 0.372 nan 8.230 nan 0.000 0.462 423 L N 1.035 122.241 121.223 -0.030 0.000 2.455 423 L HA 0.338 5.171 4.340 0.822 0.000 0.264 423 L C -0.539 176.319 176.870 -0.020 0.000 0.968 423 L CA -0.712 54.125 54.840 -0.004 0.000 0.827 423 L CB 1.798 43.868 42.059 0.017 0.000 1.317 423 L HN 0.608 nan 8.230 nan 0.000 0.407 424 D N 0.684 121.077 120.400 -0.011 0.000 2.398 424 D HA 0.210 5.343 4.640 0.822 0.000 0.247 424 D C -0.451 175.840 176.300 -0.014 0.000 1.227 424 D CA -0.545 53.445 54.000 -0.016 0.000 0.980 424 D CB 0.447 41.242 40.800 -0.008 0.000 1.106 424 D HN 0.388 nan 8.370 nan 0.000 0.493 425 E N 1.311 121.501 120.200 -0.016 0.000 2.311 425 E HA 0.005 4.848 4.350 0.822 0.000 0.247 425 E C -0.123 176.473 176.600 -0.007 0.000 1.215 425 E CA 0.191 56.583 56.400 -0.014 0.000 0.957 425 E CB -1.005 28.686 29.700 -0.014 0.000 1.020 425 E HN 0.594 nan 8.360 nan 0.000 0.461 426 Q N 1.358 121.156 119.800 -0.004 0.000 3.241 426 Q HA -0.302 4.531 4.340 0.822 0.000 0.025 426 Q C 0.027 176.031 176.000 0.006 0.000 1.713 426 Q CA 1.556 57.360 55.803 0.002 0.000 0.238 426 Q CB -0.551 28.188 28.738 0.002 0.000 0.586 426 Q HN 0.762 nan 8.270 nan 0.000 0.322 427 K N -0.001 120.406 120.400 0.011 0.000 1.365 427 K HA -0.096 4.717 4.320 0.822 0.000 0.110 427 K C 0.784 177.396 176.600 0.021 0.000 2.523 427 K CA 0.894 57.189 56.287 0.014 0.000 1.081 427 K CB -1.206 31.301 32.500 0.012 0.000 2.805 427 K HN 1.035 nan 8.250 nan 0.000 0.326 428 N N 0.484 119.200 118.700 0.027 0.000 2.168 428 N HA 0.398 5.631 4.740 0.822 0.000 0.216 428 N C 0.234 175.760 175.510 0.026 0.000 1.259 428 N CA 0.578 53.642 53.050 0.023 0.000 0.902 428 N CB 0.790 39.292 38.487 0.025 0.000 1.079 428 N HN 0.357 nan 8.380 nan 0.000 0.507 429 V N 0.850 120.785 119.914 0.036 0.000 2.617 429 V HA 0.609 5.222 4.120 0.822 0.000 0.304 429 V C 0.727 176.839 176.094 0.030 0.000 1.040 429 V CA 1.182 63.506 62.300 0.041 0.000 1.149 429 V CB -0.290 31.564 31.823 0.053 0.000 0.914 429 V HN 1.005 nan 8.190 nan 0.000 0.487 430 T N 3.407 117.978 114.554 0.027 0.000 2.977 430 T HA 0.585 5.428 4.350 0.822 0.000 0.345 430 T C -0.033 174.676 174.700 0.016 0.000 1.562 430 T CA 0.105 62.215 62.100 0.018 0.000 1.090 430 T CB 1.208 70.080 68.868 0.006 0.000 1.383 430 T HN 1.028 nan 8.240 nan 0.000 0.484 431 Q N 2.761 122.572 119.800 0.018 0.000 2.155 431 Q HA 0.304 5.137 4.340 0.822 0.000 0.220 431 Q C 0.827 176.831 176.000 0.008 0.000 0.819 431 Q CA -0.146 55.670 55.803 0.021 0.000 1.032 431 Q CB -0.438 28.322 28.738 0.037 0.000 1.151 431 Q HN 0.816 nan 8.270 nan 0.000 0.487 432 L N 0.347 121.568 121.223 -0.003 0.000 1.855 432 L HA 0.030 4.863 4.340 0.822 0.000 0.232 432 L C 1.712 178.570 176.870 -0.021 0.000 1.090 432 L CA 1.828 56.663 54.840 -0.008 0.000 0.843 432 L CB -0.751 41.301 42.059 -0.012 0.000 0.895 432 L HN 0.387 nan 8.230 nan 0.000 0.431 433 G N -2.257 106.519 108.800 -0.040 0.000 4.162 433 G HA2 0.451 4.905 3.960 0.822 0.000 0.252 433 G HA3 0.451 4.905 3.960 0.822 0.000 0.252 433 G C 0.529 175.371 174.900 -0.097 0.000 1.064 433 G CA 0.339 45.403 45.100 -0.060 0.000 0.850 433 G HN 0.846 nan 8.290 nan 0.000 0.454 434 G N 0.276 109.021 108.800 -0.091 0.000 2.692 434 G HA2 0.172 4.625 3.960 0.822 0.000 0.248 434 G HA3 0.172 4.625 3.960 0.822 0.000 0.248 434 G C 0.179 175.026 174.900 -0.088 0.000 1.340 434 G CA 0.576 45.613 45.100 -0.105 0.000 0.896 434 G HN 1.694 nan 8.290 nan 0.000 0.570 435 T N -3.333 111.164 114.554 -0.095 0.000 2.833 435 T HA 0.587 5.430 4.350 0.822 0.000 0.297 435 T C 0.007 174.640 174.700 -0.112 0.000 1.015 435 T CA 0.035 62.084 62.100 -0.085 0.000 0.963 435 T CB 1.485 70.311 68.868 -0.070 0.000 0.955 435 T HN 1.145 nan 8.240 nan 0.000 0.449 436 M N 4.559 124.101 119.600 -0.095 0.000 2.188 436 M HA 0.373 5.346 4.480 0.822 0.000 0.354 436 M C -0.073 176.154 176.300 -0.122 0.000 1.342 436 M CA -0.318 54.922 55.300 -0.100 0.000 1.117 436 M CB 0.234 32.803 32.600 -0.052 0.000 1.670 436 M HN 0.524 nan 8.290 nan 0.000 0.466 437 R N 6.315 126.696 120.500 -0.197 0.000 2.346 437 R HA 0.671 5.504 4.340 0.822 0.000 0.311 437 R C -1.330 174.943 176.300 -0.045 0.000 0.983 437 R CA -0.547 55.439 56.100 -0.190 0.000 0.880 437 R CB 0.681 30.754 30.300 -0.377 0.000 1.100 437 R HN 0.780 nan 8.270 nan 0.000 0.453 438 L N 1.400 122.622 121.223 -0.002 0.000 2.516 438 L HA 0.434 5.267 4.340 0.822 0.000 0.267 438 L C 0.284 177.191 176.870 0.062 0.000 0.957 438 L CA -0.394 54.475 54.840 0.048 0.000 0.860 438 L CB 2.221 44.284 42.059 0.007 0.000 1.265 438 L HN 0.945 nan 8.230 nan 0.000 0.403 439 G N 2.218 111.082 108.800 0.107 0.000 2.725 439 G HA2 0.014 4.467 3.960 0.822 0.000 0.220 439 G HA3 0.014 4.467 3.960 0.822 0.000 0.220 439 G C -0.044 174.961 174.900 0.176 0.000 1.357 439 G CA -0.339 44.818 45.100 0.096 0.000 0.866 439 G HN 1.103 nan 8.290 nan 0.000 0.548 440 A N 0.101 123.010 122.820 0.148 0.000 2.584 440 A HA 0.487 5.300 4.320 0.822 0.000 0.239 440 A C 0.612 178.321 177.584 0.209 0.000 1.043 440 A CA 1.404 53.562 52.037 0.202 0.000 0.756 440 A CB 0.082 19.154 19.000 0.120 0.000 0.963 440 A HN 0.960 nan 8.150 nan 0.000 0.511 441 Q N 1.094 121.063 119.800 0.282 0.000 2.320 441 Q HA 0.234 5.067 4.340 0.822 0.000 0.272 441 Q C -0.923 175.131 176.000 0.090 0.000 1.023 441 Q CA -0.719 55.146 55.803 0.103 0.000 0.855 441 Q CB 2.174 30.721 28.738 -0.319 0.000 1.367 441 Q HN 0.866 nan 8.270 nan 0.000 0.406 442 K N 2.576 122.939 120.400 -0.062 0.000 2.401 442 K HA 0.329 5.142 4.320 0.822 0.000 0.278 442 K C -0.724 175.721 176.600 -0.258 0.000 1.018 442 K CA 0.237 56.282 56.287 -0.404 0.000 0.981 442 K CB 0.422 32.733 32.500 -0.314 0.000 0.933 442 K HN 0.521 nan 8.250 nan 0.000 0.477 443 I N 5.382 125.759 120.570 -0.323 0.000 2.478 443 I HA 0.217 4.880 4.170 0.822 0.000 0.287 443 I C -0.838 175.152 176.117 -0.211 0.000 1.042 443 I CA -1.007 60.177 61.300 -0.194 0.000 1.067 443 I CB 1.747 39.656 38.000 -0.152 0.000 1.233 443 I HN 0.474 nan 8.210 nan 0.000 0.431 444 I N 6.780 127.273 120.570 -0.129 0.000 2.325 444 I HA 0.254 4.917 4.170 0.822 0.000 0.291 444 I C 0.035 176.131 176.117 -0.034 0.000 1.019 444 I CA 0.047 61.298 61.300 -0.081 0.000 1.302 444 I CB 0.562 38.533 38.000 -0.048 0.000 1.401 444 I HN 0.278 nan 8.210 nan 0.000 0.485 445 L N 6.162 127.391 121.223 0.010 0.000 2.375 445 L HA 0.378 5.211 4.340 0.822 0.000 0.271 445 L C 0.520 177.486 176.870 0.160 0.000 1.107 445 L CA -0.711 54.193 54.840 0.108 0.000 0.806 445 L CB 0.711 42.879 42.059 0.181 0.000 1.146 445 L HN 0.576 nan 8.230 nan 0.000 0.447 446 K N 3.316 123.777 120.400 0.101 0.000 2.234 446 K HA 0.144 4.957 4.320 0.822 0.000 0.282 446 K C -0.196 176.328 176.600 -0.127 0.000 1.039 446 K CA -0.684 55.599 56.287 -0.007 0.000 0.928 446 K CB 0.887 33.380 32.500 -0.013 0.000 1.039 446 K HN 0.518 nan 8.250 nan 0.000 0.470 447 E N 2.889 122.839 120.200 -0.416 0.000 2.398 447 E HA 0.106 4.949 4.350 0.822 0.000 0.263 447 E C 0.677 177.078 176.600 -0.331 0.000 1.046 447 E CA 0.403 56.316 56.400 -0.811 0.000 0.908 447 E CB 0.558 29.779 29.700 -0.798 0.000 0.963 447 E HN 0.867 nan 8.360 nan 0.000 0.431 448 G N 2.092 110.755 108.800 -0.229 0.000 2.179 448 G HA2 -0.300 4.153 3.960 0.822 0.000 0.260 448 G HA3 -0.300 4.153 3.960 0.822 0.000 0.260 448 G C 0.388 175.295 174.900 0.011 0.000 0.977 448 G CA 0.692 45.758 45.100 -0.057 0.000 0.641 448 G HN 1.003 nan 8.290 nan 0.000 0.533 449 T N -1.769 112.816 114.554 0.052 0.000 2.927 449 T HA 0.717 5.560 4.350 0.822 0.000 0.281 449 T C 1.731 176.498 174.700 0.112 0.000 0.998 449 T CA -0.277 61.866 62.100 0.071 0.000 1.019 449 T CB 1.674 70.582 68.868 0.067 0.000 1.061 449 T HN 0.153 nan 8.240 nan 0.000 0.518 450 I N 0.990 121.596 120.570 0.061 0.000 2.194 450 I HA -0.203 4.460 4.170 0.822 0.000 0.246 450 I C 2.982 179.158 176.117 0.099 0.000 1.093 450 I CA 1.793 63.127 61.300 0.057 0.000 1.355 450 I CB -0.799 37.174 38.000 -0.044 0.000 1.046 450 I HN 0.886 nan 8.210 nan 0.000 0.413 451 A N 0.004 122.888 122.820 0.106 0.000 1.902 451 A HA -0.283 4.530 4.320 0.822 0.000 0.217 451 A C 2.287 180.036 177.584 0.274 0.000 1.181 451 A CA 1.561 53.710 52.037 0.185 0.000 0.623 451 A CB -1.040 18.052 19.000 0.152 0.000 0.818 451 A HN 0.498 nan 8.150 nan 0.000 0.443 452 Y N 0.046 120.414 120.300 0.114 0.000 2.145 452 Y HA -0.246 4.798 4.550 0.823 0.000 0.286 452 Y C 2.667 178.639 175.900 0.121 0.000 1.145 452 Y CA 2.400 60.566 58.100 0.111 0.000 1.148 452 Y CB -0.312 38.182 38.460 0.057 0.000 0.981 452 Y HN 0.404 nan 8.280 nan 0.000 0.507 453 Q N 0.485 120.426 119.800 0.236 0.000 2.061 453 Q HA -0.192 4.641 4.340 0.822 0.000 0.204 453 Q C 2.113 178.145 176.000 0.053 0.000 0.984 453 Q CA 2.248 58.135 55.803 0.140 0.000 0.846 453 Q CB -0.605 28.212 28.738 0.133 0.000 0.902 453 Q HN 0.642 nan 8.270 nan 0.000 0.421 454 L N -1.162 120.090 121.223 0.048 0.000 2.083 454 L HA -0.196 4.637 4.340 0.822 0.000 0.209 454 L C 1.838 178.597 176.870 -0.186 0.000 1.083 454 L CA 1.344 56.143 54.840 -0.069 0.000 0.752 454 L CB -0.410 41.585 42.059 -0.106 0.000 0.899 454 L HN 0.318 nan 8.230 nan 0.000 0.433 455 Y N -0.411 119.847 120.300 -0.071 0.000 2.517 455 Y HA 0.128 5.169 4.550 0.817 0.000 0.281 455 Y C 1.935 177.733 175.900 -0.169 0.000 1.125 455 Y CA 0.538 58.573 58.100 -0.109 0.000 1.283 455 Y CB -0.076 38.312 38.460 -0.120 0.000 1.042 455 Y HN 0.268 nan 8.280 nan 0.000 0.547 456 G N 1.228 109.962 108.800 -0.110 0.000 2.203 456 G HA2 -0.335 4.118 3.960 0.822 0.000 0.263 456 G HA3 -0.335 4.118 3.960 0.822 0.000 0.263 456 G C 0.024 174.755 174.900 -0.282 0.000 1.012 456 G CA 0.924 45.927 45.100 -0.162 0.000 0.749 456 G HN 0.533 nan 8.290 nan 0.000 0.512 457 K N -2.844 117.240 120.400 -0.527 0.000 2.642 457 K HA 0.667 5.480 4.320 0.822 0.000 0.290 457 K C 0.415 176.721 176.600 -0.489 0.000 1.006 457 K CA -0.570 55.461 56.287 -0.427 0.000 0.869 457 K CB 0.683 33.110 32.500 -0.121 0.000 1.499 457 K HN 0.003 nan 8.250 nan 0.000 0.403 458 K N 0.189 120.541 120.400 -0.081 0.000 2.137 458 K HA 0.115 4.928 4.320 0.822 0.000 0.202 458 K C -0.301 176.292 176.600 -0.011 0.000 1.052 458 K CA 0.818 57.204 56.287 0.164 0.000 0.961 458 K CB 0.435 33.096 32.500 0.269 0.000 0.741 458 K HN 0.387 nan 8.250 nan 0.000 0.452 459 V N 2.851 122.729 119.914 -0.061 0.000 2.384 459 V HA 0.388 5.001 4.120 0.822 0.000 0.287 459 V C -0.603 175.373 176.094 -0.196 0.000 1.020 459 V CA -0.703 61.514 62.300 -0.138 0.000 0.850 459 V CB 1.154 32.924 31.823 -0.088 0.000 0.987 459 V HN 0.150 nan 8.190 nan 0.000 0.436 460 V N 2.766 122.461 119.914 -0.365 0.000 3.181 460 V HA 0.758 5.371 4.120 0.822 0.000 0.308 460 V C -1.882 173.928 176.094 -0.473 0.000 1.214 460 V CA -0.941 61.169 62.300 -0.317 0.000 1.053 460 V CB 2.401 33.920 31.823 -0.506 0.000 1.069 460 V HN 0.589 nan 8.190 nan 0.000 0.441 461 Y N -0.002 120.265 120.300 -0.055 0.000 2.462 461 Y HA 0.882 5.924 4.550 0.819 0.000 0.346 461 Y C 0.062 176.001 175.900 0.064 0.000 0.976 461 Y CA -0.643 57.471 58.100 0.023 0.000 1.044 461 Y CB 2.140 40.627 38.460 0.046 0.000 1.230 461 Y HN 0.683 nan 8.280 nan 0.000 0.455 462 E N 1.655 122.008 120.200 0.256 0.000 2.367 462 E HA 0.422 5.265 4.350 0.822 0.000 0.273 462 E C -0.992 175.771 176.600 0.272 0.000 0.903 462 E CA -1.148 55.373 56.400 0.201 0.000 0.764 462 E CB 2.224 31.960 29.700 0.061 0.000 1.252 462 E HN 0.608 nan 8.360 nan 0.000 0.446 463 R N 1.407 122.038 120.500 0.218 0.000 2.442 463 R HA 0.306 5.139 4.340 0.822 0.000 0.291 463 R C -0.278 176.165 176.300 0.237 0.000 1.069 463 R CA -0.150 56.108 56.100 0.263 0.000 1.022 463 R CB 0.248 30.673 30.300 0.209 0.000 0.976 463 R HN 0.368 nan 8.270 nan 0.000 0.443 464 H N 0.933 120.125 119.070 0.204 0.000 2.595 464 H HA 0.476 5.527 4.556 0.825 0.000 0.346 464 H C 0.049 175.527 175.328 0.250 0.000 1.181 464 H CA -0.727 55.488 56.048 0.279 0.000 1.242 464 H CB 1.336 31.218 29.762 0.201 0.000 1.652 464 H HN 0.197 nan 8.280 nan 0.000 0.548 465 R N 1.894 122.685 120.500 0.485 0.000 2.891 465 R HA 0.113 4.946 4.340 0.822 0.000 0.202 465 R C -1.843 174.755 176.300 0.495 0.000 1.510 465 R CA -0.358 55.949 56.100 0.345 0.000 1.294 465 R CB -0.339 30.078 30.300 0.196 0.000 1.556 465 R HN 1.116 nan 8.270 nan 0.000 0.694 466 H N -1.980 117.249 119.070 0.265 0.000 2.987 466 H HA 0.455 5.502 4.556 0.817 0.000 0.316 466 H C 0.020 175.411 175.328 0.105 0.000 1.380 466 H CA -0.828 55.350 56.048 0.217 0.000 1.160 466 H CB 0.981 30.843 29.762 0.167 0.000 1.865 466 H HN 0.150 nan 8.280 nan 0.000 0.521 467 R N -0.470 120.074 120.500 0.074 0.000 2.551 467 R HA 0.209 5.042 4.340 0.822 0.000 0.202 467 R C -0.606 175.662 176.300 -0.052 0.000 0.861 467 R CA -0.235 55.808 56.100 -0.095 0.000 1.018 467 R CB 0.213 30.407 30.300 -0.176 0.000 1.435 467 R HN 0.313 nan 8.270 nan 0.000 0.659 468 Y N 3.435 123.786 120.300 0.085 0.000 2.480 468 Y HA 0.201 5.243 4.550 0.819 0.000 0.341 468 Y C 0.460 176.441 175.900 0.134 0.000 1.031 468 Y CA -0.005 58.137 58.100 0.069 0.000 1.295 468 Y CB 0.647 39.110 38.460 0.004 0.000 1.162 468 Y HN 0.007 nan 8.280 nan 0.000 0.523 469 E N 1.663 122.008 120.200 0.241 0.000 2.281 469 E HA 0.418 5.261 4.350 0.822 0.000 0.257 469 E C -0.862 175.854 176.600 0.194 0.000 0.971 469 E CA -1.158 55.371 56.400 0.216 0.000 0.839 469 E CB 2.050 31.850 29.700 0.166 0.000 1.238 469 E HN 0.196 nan 8.360 nan 0.000 0.412 470 V N 2.570 122.610 119.914 0.211 0.000 2.521 470 V HA -0.041 4.572 4.120 0.822 0.000 0.286 470 V C 0.670 176.830 176.094 0.110 0.000 1.034 470 V CA -0.389 62.005 62.300 0.157 0.000 1.045 470 V CB 0.051 31.988 31.823 0.191 0.000 0.974 470 V HN 0.513 nan 8.190 nan 0.000 0.480 471 N N 7.443 126.181 118.700 0.064 0.000 2.440 471 N HA 0.064 5.297 4.740 0.822 0.000 0.265 471 N C -1.583 174.018 175.510 0.151 0.000 1.239 471 N CA -1.423 51.682 53.050 0.091 0.000 0.909 471 N CB 1.578 40.090 38.487 0.041 0.000 1.066 471 N HN 0.292 nan 8.380 nan 0.000 0.474 472 P HA -0.106 nan 4.420 nan 0.000 0.218 472 P C 1.221 178.602 177.300 0.136 0.000 1.149 472 P CA 0.804 63.973 63.100 0.116 0.000 0.817 472 P CB 0.355 32.105 31.700 0.083 0.000 0.785 473 K N -0.326 120.179 120.400 0.174 0.000 2.044 473 K HA -0.158 4.655 4.320 0.822 0.000 0.210 473 K C 1.937 178.601 176.600 0.107 0.000 1.049 473 K CA 1.840 58.205 56.287 0.129 0.000 0.927 473 K CB -1.144 31.441 32.500 0.142 0.000 0.713 473 K HN 0.289 nan 8.250 nan 0.000 0.443 474 Y N -0.046 120.274 120.300 0.033 0.000 2.561 474 Y HA -0.090 4.954 4.550 0.823 0.000 0.291 474 Y C 2.132 178.054 175.900 0.037 0.000 1.141 474 Y CA -0.188 57.933 58.100 0.034 0.000 1.303 474 Y CB 0.103 38.586 38.460 0.039 0.000 1.015 474 Y HN -0.218 nan 8.280 nan 0.000 0.547 475 V N 0.848 120.869 119.914 0.179 0.000 2.231 475 V HA -0.407 4.206 4.120 0.822 0.000 0.248 475 V C 2.112 178.254 176.094 0.080 0.000 1.054 475 V CA 2.524 64.891 62.300 0.112 0.000 1.015 475 V CB -0.703 31.170 31.823 0.083 0.000 0.638 475 V HN 0.504 nan 8.190 nan 0.000 0.444 476 D N 0.271 120.705 120.400 0.056 0.000 2.158 476 D HA -0.218 4.915 4.640 0.822 0.000 0.197 476 D C 1.862 178.183 176.300 0.034 0.000 0.995 476 D CA 2.147 56.167 54.000 0.033 0.000 0.846 476 D CB -0.275 40.534 40.800 0.015 0.000 0.941 476 D HN 0.663 nan 8.370 nan 0.000 0.456 477 I N -2.315 118.279 120.570 0.039 0.000 2.716 477 I HA -0.003 4.661 4.170 0.822 0.000 0.259 477 I C 2.113 178.289 176.117 0.099 0.000 1.172 477 I CA 0.299 61.624 61.300 0.042 0.000 1.478 477 I CB -0.368 37.635 38.000 0.004 0.000 1.104 477 I HN 0.021 nan 8.210 nan 0.000 0.439 478 L N 1.278 122.586 121.223 0.143 0.000 2.046 478 L HA -0.153 4.680 4.340 0.822 0.000 0.208 478 L C 2.818 179.790 176.870 0.169 0.000 1.077 478 L CA 1.572 56.544 54.840 0.219 0.000 0.747 478 L CB -0.651 41.500 42.059 0.154 0.000 0.896 478 L HN 0.303 nan 8.230 nan 0.000 0.432 479 E N -0.290 119.957 120.200 0.079 0.000 2.077 479 E HA -0.281 4.562 4.350 0.822 0.000 0.193 479 E C 1.696 178.331 176.600 0.058 0.000 0.989 479 E CA 1.473 57.897 56.400 0.041 0.000 0.800 479 E CB -0.258 29.455 29.700 0.022 0.000 0.746 479 E HN 0.517 nan 8.360 nan 0.000 0.452 480 D N 0.455 120.890 120.400 0.058 0.000 2.269 480 D HA -0.066 5.067 4.640 0.822 0.000 0.208 480 D C 1.422 177.753 176.300 0.052 0.000 0.963 480 D CA 0.635 54.659 54.000 0.040 0.000 0.864 480 D CB 0.204 41.017 40.800 0.022 0.000 0.936 480 D HN 0.061 nan 8.370 nan 0.000 0.505 481 A N -0.474 122.406 122.820 0.101 0.000 2.251 481 A HA 0.429 5.242 4.320 0.822 0.000 0.209 481 A C 1.655 179.350 177.584 0.186 0.000 1.187 481 A CA 1.029 53.121 52.037 0.092 0.000 0.823 481 A CB 0.023 19.056 19.000 0.055 0.000 0.846 481 A HN 0.396 nan 8.150 nan 0.000 0.486 482 G N -1.241 107.667 108.800 0.179 0.000 2.316 482 G HA2 -0.166 4.287 3.960 0.822 0.000 0.203 482 G HA3 -0.166 4.287 3.960 0.822 0.000 0.203 482 G C 0.204 175.143 174.900 0.066 0.000 0.999 482 G CA -0.054 45.136 45.100 0.150 0.000 0.649 482 G HN 0.504 nan 8.290 nan 0.000 0.489 483 L N 2.102 123.322 121.223 -0.004 0.000 2.490 483 L HA 0.528 5.361 4.340 0.822 0.000 0.274 483 L C 0.175 176.952 176.870 -0.156 0.000 1.201 483 L CA -0.265 54.367 54.840 -0.347 0.000 0.869 483 L CB 1.037 42.675 42.059 -0.702 0.000 1.123 483 L HN 0.047 nan 8.230 nan 0.000 0.484 484 V N 5.651 125.478 119.914 -0.146 0.000 2.417 484 V HA 0.224 4.837 4.120 0.822 0.000 0.291 484 V C -0.119 175.943 176.094 -0.053 0.000 1.024 484 V CA -0.684 61.573 62.300 -0.072 0.000 0.861 484 V CB 1.794 33.588 31.823 -0.049 0.000 0.985 484 V HN 0.432 nan 8.190 nan 0.000 0.436 485 V N 5.081 124.981 119.914 -0.023 0.000 2.356 485 V HA 0.151 4.764 4.120 0.822 0.000 0.258 485 V C 1.183 177.285 176.094 0.013 0.000 1.065 485 V CA 0.394 62.699 62.300 0.008 0.000 0.935 485 V CB 0.918 32.755 31.823 0.024 0.000 1.061 485 V HN 1.081 nan 8.190 nan 0.000 0.484 486 S N 2.496 118.209 115.700 0.023 0.000 2.535 486 S HA 0.305 5.268 4.470 0.822 0.000 0.214 486 S C 0.804 175.426 174.600 0.037 0.000 0.980 486 S CA 0.222 58.442 58.200 0.033 0.000 0.907 486 S CB 0.611 63.837 63.200 0.043 0.000 0.790 486 S HN 0.868 nan 8.310 nan 0.000 0.510 487 G N 2.228 111.045 108.800 0.028 0.000 2.741 487 G HA2 0.605 5.058 3.960 0.822 0.000 0.293 487 G HA3 0.605 5.058 3.960 0.822 0.000 0.293 487 G C -0.868 174.037 174.900 0.008 0.000 1.457 487 G CA -0.749 44.355 45.100 0.007 0.000 1.098 487 G HN 0.318 nan 8.290 nan 0.000 0.536 488 I N -0.450 120.117 120.570 -0.006 0.000 3.145 488 I HA 0.814 5.477 4.170 0.822 0.000 0.313 488 I C 0.217 176.320 176.117 -0.024 0.000 1.122 488 I CA -1.242 60.056 61.300 -0.003 0.000 0.987 488 I CB 1.426 39.429 38.000 0.005 0.000 1.236 488 I HN 0.533 nan 8.210 nan 0.000 0.453 489 S N 1.202 116.890 115.700 -0.020 0.000 2.655 489 S HA 0.169 5.133 4.470 0.822 0.000 0.265 489 S C 1.001 175.572 174.600 -0.049 0.000 1.240 489 S CA 0.270 58.443 58.200 -0.046 0.000 0.986 489 S CB 1.250 64.421 63.200 -0.048 0.000 0.985 489 S HN 0.779 nan 8.310 nan 0.000 0.562 490 E N 1.244 121.406 120.200 -0.062 0.000 2.169 490 E HA -0.269 4.574 4.350 0.822 0.000 0.202 490 E C 0.632 177.215 176.600 -0.029 0.000 1.016 490 E CA 2.157 58.530 56.400 -0.046 0.000 0.817 490 E CB -0.602 29.073 29.700 -0.041 0.000 0.736 490 E HN 0.778 nan 8.360 nan 0.000 0.462 491 N N -1.212 117.472 118.700 -0.027 0.000 2.389 491 N HA 0.305 5.538 4.740 0.822 0.000 0.260 491 N C -0.140 175.367 175.510 -0.005 0.000 1.191 491 N CA 0.346 53.387 53.050 -0.014 0.000 0.885 491 N CB 1.254 39.732 38.487 -0.015 0.000 1.162 491 N HN 0.283 nan 8.380 nan 0.000 0.512 492 G N 0.450 109.247 108.800 -0.004 0.000 2.143 492 G HA2 -0.267 4.186 3.960 0.822 0.000 0.248 492 G HA3 -0.267 4.186 3.960 0.822 0.000 0.248 492 G C -0.068 174.845 174.900 0.021 0.000 0.991 492 G CA -0.259 44.846 45.100 0.008 0.000 0.689 492 G HN 0.260 nan 8.290 nan 0.000 0.522 493 L N 0.606 121.841 121.223 0.020 0.000 2.349 493 L HA 0.475 5.308 4.340 0.822 0.000 0.275 493 L C 1.325 178.223 176.870 0.046 0.000 1.115 493 L CA -0.627 54.238 54.840 0.042 0.000 0.820 493 L CB 1.557 43.642 42.059 0.044 0.000 1.135 493 L HN 0.111 nan 8.230 nan 0.000 0.445 494 V N 4.306 124.265 119.914 0.076 0.000 2.485 494 V HA 0.029 4.642 4.120 0.822 0.000 0.287 494 V C 0.874 176.984 176.094 0.025 0.000 1.022 494 V CA 0.302 62.659 62.300 0.094 0.000 1.067 494 V CB 0.786 32.713 31.823 0.173 0.000 0.967 494 V HN 0.843 nan 8.190 nan 0.000 0.479 495 E N 5.775 125.966 120.200 -0.016 0.000 2.256 495 E HA 0.355 5.198 4.350 0.822 0.000 0.198 495 E C 0.043 176.537 176.600 -0.176 0.000 0.908 495 E CA 0.740 57.062 56.400 -0.129 0.000 0.915 495 E CB 0.784 30.468 29.700 -0.027 0.000 0.890 495 E HN 0.781 nan 8.360 nan 0.000 0.484 496 I N 1.830 122.409 120.570 0.017 0.000 2.619 496 I HA 0.360 5.023 4.170 0.822 0.000 0.292 496 I C -0.284 175.927 176.117 0.157 0.000 1.100 496 I CA -0.947 60.407 61.300 0.090 0.000 1.043 496 I CB 2.298 40.319 38.000 0.034 0.000 1.239 496 I HN -0.098 nan 8.210 nan 0.000 0.420 497 I N 2.446 123.129 120.570 0.187 0.000 3.108 497 I HA 0.839 5.502 4.170 0.822 0.000 0.312 497 I C -1.078 175.046 176.117 0.012 0.000 1.095 497 I CA -0.520 60.816 61.300 0.060 0.000 1.000 497 I CB 2.433 40.420 38.000 -0.021 0.000 1.229 497 I HN 0.730 nan 8.210 nan 0.000 0.454 498 E N 2.736 122.918 120.200 -0.029 0.000 2.401 498 E HA 0.510 5.353 4.350 0.822 0.000 0.280 498 E C -2.028 174.543 176.600 -0.049 0.000 1.039 498 E CA -0.976 55.418 56.400 -0.011 0.000 0.814 498 E CB 2.143 31.804 29.700 -0.065 0.000 1.275 498 E HN 0.460 nan 8.360 nan 0.000 0.448 499 L N 2.510 123.728 121.223 -0.008 0.000 2.356 499 L HA 0.350 5.183 4.340 0.822 0.000 0.264 499 L C -2.011 174.835 176.870 -0.039 0.000 1.029 499 L CA -2.003 52.787 54.840 -0.084 0.000 0.897 499 L CB 1.215 43.143 42.059 -0.218 0.000 1.256 499 L HN 0.515 nan 8.230 nan 0.000 0.444 500 P HA -0.154 nan 4.420 nan 0.000 0.220 500 P C 1.416 178.712 177.300 -0.007 0.000 1.144 500 P CA 1.104 64.195 63.100 -0.014 0.000 0.800 500 P CB 0.231 31.922 31.700 -0.014 0.000 0.772 501 S N -2.484 113.205 115.700 -0.020 0.000 2.442 501 S HA -0.093 4.870 4.470 0.822 0.000 0.236 501 S C 0.953 175.546 174.600 -0.012 0.000 1.007 501 S CA 0.719 58.906 58.200 -0.022 0.000 0.965 501 S CB -0.956 62.221 63.200 -0.038 0.000 0.773 501 S HN 0.153 nan 8.310 nan 0.000 0.504 502 N N 0.873 119.575 118.700 0.004 0.000 2.477 502 N HA 0.391 5.624 4.740 0.822 0.000 0.284 502 N C 0.624 176.192 175.510 0.097 0.000 1.182 502 N CA -0.803 52.280 53.050 0.055 0.000 0.949 502 N CB 0.682 39.228 38.487 0.098 0.000 1.204 502 N HN -0.086 nan 8.380 nan 0.000 0.526 503 K N 0.177 120.655 120.400 0.131 0.000 2.288 503 K HA 0.082 4.895 4.320 0.822 0.000 0.201 503 K C -0.343 176.425 176.600 0.279 0.000 1.048 503 K CA 0.861 57.241 56.287 0.155 0.000 0.956 503 K CB 0.002 32.577 32.500 0.125 0.000 0.746 503 K HN 0.558 nan 8.250 nan 0.000 0.461 504 F N -0.158 119.873 119.950 0.136 0.000 2.925 504 F HA 0.216 5.235 4.527 0.819 0.000 0.347 504 F C -1.978 174.004 175.800 0.302 0.000 1.187 504 F CA -1.035 57.067 58.000 0.169 0.000 1.189 504 F CB 0.842 39.903 39.000 0.101 0.000 1.479 504 F HN -0.129 nan 8.300 nan 0.000 0.645 505 F N 7.870 127.774 119.950 -0.077 0.000 3.090 505 F HA 0.666 5.689 4.527 0.827 0.000 0.381 505 F C -2.021 173.748 175.800 -0.052 0.000 1.231 505 F CA -0.532 57.562 58.000 0.156 0.000 1.177 505 F CB 0.859 39.932 39.000 0.121 0.000 1.598 505 F HN 0.125 nan 8.300 nan 0.000 0.589 506 V N 4.264 124.025 119.914 -0.254 0.000 2.588 506 V HA 0.897 5.510 4.120 0.822 0.000 0.304 506 V C -0.455 175.487 176.094 -0.254 0.000 1.042 506 V CA -0.606 61.533 62.300 -0.267 0.000 0.877 506 V CB 1.593 33.155 31.823 -0.435 0.000 0.996 506 V HN 0.777 nan 8.190 nan 0.000 0.425 507 A N 2.862 125.632 122.820 -0.084 0.000 2.371 507 A HA 0.894 5.707 4.320 0.822 0.000 0.311 507 A C -0.445 177.262 177.584 0.204 0.000 1.068 507 A CA -0.581 51.453 52.037 -0.005 0.000 0.744 507 A CB 2.106 21.148 19.000 0.070 0.000 1.239 507 A HN 0.745 nan 8.150 nan 0.000 0.435 508 T N 0.424 115.005 114.554 0.044 0.000 2.893 508 T HA 0.318 5.161 4.350 0.822 0.000 0.293 508 T C 0.563 174.982 174.700 -0.468 0.000 1.027 508 T CA -0.456 61.554 62.100 -0.151 0.000 0.988 508 T CB 1.272 70.041 68.868 -0.166 0.000 1.043 508 T HN 0.572 nan 8.240 nan 0.000 0.461 509 Q N 1.740 120.985 119.800 -0.926 0.000 2.030 509 Q HA 0.022 4.855 4.340 0.822 0.000 0.204 509 Q C 1.453 177.076 176.000 -0.628 0.000 0.986 509 Q CA 1.425 56.658 55.803 -0.951 0.000 0.843 509 Q CB -0.749 27.339 28.738 -1.083 0.000 0.904 509 Q HN 0.858 nan 8.270 nan 0.000 0.420 510 A N 1.526 124.010 122.820 -0.560 0.000 2.433 510 A HA -0.010 4.803 4.320 0.822 0.000 0.250 510 A C -0.152 177.196 177.584 -0.393 0.000 1.113 510 A CA 0.187 51.894 52.037 -0.550 0.000 0.794 510 A CB -0.054 18.562 19.000 -0.640 0.000 1.067 510 A HN 0.361 nan 8.150 nan 0.000 0.510 511 H N 0.048 118.983 119.070 -0.224 0.000 2.632 511 H HA 0.221 5.275 4.556 0.831 0.000 0.258 511 H C -2.075 173.129 175.328 -0.207 0.000 1.278 511 H CA -1.455 54.428 56.048 -0.276 0.000 1.352 511 H CB 0.722 30.141 29.762 -0.571 0.000 1.418 511 H HN 0.417 nan 8.280 nan 0.000 0.513 512 P HA -0.157 nan 4.420 nan 0.000 0.226 512 P C 1.679 179.049 177.300 0.116 0.000 1.153 512 P CA 0.757 63.938 63.100 0.134 0.000 0.777 512 P CB 0.385 32.207 31.700 0.203 0.000 0.794 513 E N -0.578 119.622 120.200 0.001 0.000 2.204 513 E HA -0.174 4.669 4.350 0.822 0.000 0.195 513 E C 1.291 177.894 176.600 0.005 0.000 0.990 513 E CA 1.137 57.401 56.400 -0.227 0.000 0.821 513 E CB -1.233 28.233 29.700 -0.390 0.000 0.750 513 E HN 0.212 nan 8.360 nan 0.000 0.477 514 F N 1.707 121.694 119.950 0.063 0.000 2.333 514 F HA 0.034 4.966 4.527 0.675 0.000 0.300 514 F C 1.982 177.859 175.800 0.129 0.000 1.083 514 F CA 0.793 58.810 58.000 0.028 0.000 1.395 514 F CB -0.242 38.588 39.000 -0.283 0.000 1.056 514 F HN 0.003 nan 8.300 nan 0.000 0.529 515 K N -0.650 119.909 120.400 0.265 0.000 2.374 515 K HA 0.085 4.898 4.320 0.822 0.000 0.196 515 K C 0.830 177.537 176.600 0.178 0.000 1.023 515 K CA -0.023 56.395 56.287 0.219 0.000 1.103 515 K CB 0.326 32.935 32.500 0.182 0.000 0.848 515 K HN -0.004 nan 8.250 nan 0.000 0.528 516 S N 1.352 117.161 115.700 0.183 0.000 2.548 516 S HA 0.221 5.184 4.470 0.822 0.000 0.277 516 S C -0.302 174.377 174.600 0.131 0.000 1.315 516 S CA -0.630 57.668 58.200 0.163 0.000 1.050 516 S CB 0.459 63.764 63.200 0.175 0.000 0.918 516 S HN 0.078 nan 8.310 nan 0.000 0.497 517 R N 3.749 124.186 120.500 -0.105 0.000 2.807 517 R HA 0.376 5.209 4.340 0.822 0.000 0.276 517 R C -2.213 173.543 176.300 -0.908 0.000 0.979 517 R CA -2.371 53.482 56.100 -0.411 0.000 0.928 517 R CB 0.068 30.246 30.300 -0.203 0.000 1.191 517 R HN 0.321 nan 8.270 nan 0.000 0.471 518 P HA -0.237 nan 4.420 nan 0.000 0.218 518 P C 1.211 178.009 177.300 -0.838 0.000 1.152 518 P CA 2.015 64.234 63.100 -1.468 0.000 0.857 518 P CB 0.319 30.924 31.700 -1.825 0.000 0.787 519 T N -4.244 110.004 114.554 -0.511 0.000 3.023 519 T HA 0.072 4.915 4.350 0.822 0.000 0.249 519 T C 0.680 175.299 174.700 -0.135 0.000 1.050 519 T CA 0.142 62.104 62.100 -0.230 0.000 1.088 519 T CB -0.488 68.287 68.868 -0.156 0.000 0.946 519 T HN -0.125 nan 8.240 nan 0.000 0.480 520 N N 2.224 120.817 118.700 -0.177 0.000 2.841 520 N HA 0.430 5.663 4.740 0.822 0.000 0.257 520 N C -3.112 172.332 175.510 -0.110 0.000 1.396 520 N CA -2.075 50.900 53.050 -0.125 0.000 0.823 520 N CB 1.432 39.875 38.487 -0.074 0.000 1.162 520 N HN 0.173 nan 8.380 nan 0.000 0.503 521 P HA 0.010 nan 4.420 nan 0.000 0.269 521 P C -0.207 177.079 177.300 -0.023 0.000 1.209 521 P CA -0.118 62.958 63.100 -0.039 0.000 0.776 521 P CB 0.628 32.271 31.700 -0.094 0.000 0.876 522 S N 3.382 119.116 115.700 0.056 0.000 2.546 522 S HA 0.058 5.021 4.470 0.822 0.000 0.290 522 S C -1.366 173.241 174.600 0.012 0.000 1.262 522 S CA -0.835 57.418 58.200 0.089 0.000 1.083 522 S CB -0.504 62.839 63.200 0.239 0.000 0.859 522 S HN 0.244 nan 8.310 nan 0.000 0.495 523 P HA -0.103 nan 4.420 nan 0.000 0.220 523 P C 1.228 178.394 177.300 -0.223 0.000 1.144 523 P CA 0.833 63.751 63.100 -0.303 0.000 0.800 523 P CB 0.084 31.344 31.700 -0.733 0.000 0.772 524 I N -2.492 118.005 120.570 -0.122 0.000 2.277 524 I HA -0.180 4.483 4.170 0.822 0.000 0.243 524 I C 2.075 178.160 176.117 -0.053 0.000 1.094 524 I CA 1.544 62.808 61.300 -0.061 0.000 1.393 524 I CB -1.130 36.838 38.000 -0.053 0.000 1.078 524 I HN -0.016 nan 8.210 nan 0.000 0.417 525 Y N 0.747 121.031 120.300 -0.026 0.000 2.293 525 Y HA -0.158 4.901 4.550 0.848 0.000 0.291 525 Y C 2.572 178.482 175.900 0.016 0.000 1.137 525 Y CA 0.932 59.036 58.100 0.006 0.000 1.202 525 Y CB -0.453 37.999 38.460 -0.013 0.000 0.990 525 Y HN 0.048 nan 8.280 nan 0.000 0.537 526 L N -0.754 120.524 121.223 0.092 0.000 1.989 526 L HA -0.243 4.590 4.340 0.822 0.000 0.211 526 L C 2.554 179.411 176.870 -0.022 0.000 1.071 526 L CA 1.858 56.705 54.840 0.011 0.000 0.749 526 L CB -1.096 40.921 42.059 -0.070 0.000 0.890 526 L HN 0.409 nan 8.230 nan 0.000 0.431 527 G N -0.596 108.196 108.800 -0.013 0.000 2.459 527 G HA2 -0.382 4.071 3.960 0.822 0.000 0.217 527 G HA3 -0.382 4.071 3.960 0.822 0.000 0.217 527 G C 1.432 176.116 174.900 -0.361 0.000 1.183 527 G CA 0.964 46.060 45.100 -0.006 0.000 0.776 527 G HN 0.399 nan 8.290 nan 0.000 0.552 528 F N 1.406 120.976 119.950 -0.633 0.000 2.095 528 F HA -0.076 4.946 4.527 0.826 0.000 0.298 528 F C 2.398 177.833 175.800 -0.608 0.000 1.104 528 F CA 1.152 58.516 58.000 -1.061 0.000 1.232 528 F CB -0.065 38.551 39.000 -0.641 0.000 0.987 528 F HN 0.032 nan 8.300 nan 0.000 0.475 529 I N 0.286 120.638 120.570 -0.365 0.000 2.394 529 I HA -0.194 4.469 4.170 0.822 0.000 0.251 529 I C 2.450 178.392 176.117 -0.291 0.000 1.136 529 I CA 1.183 62.294 61.300 -0.315 0.000 1.425 529 I CB -1.249 36.731 38.000 -0.034 0.000 1.079 529 I HN 0.205 nan 8.210 nan 0.000 0.425 530 R N 0.681 121.041 120.500 -0.232 0.000 2.075 530 R HA -0.064 4.769 4.340 0.822 0.000 0.232 530 R C 2.444 178.616 176.300 -0.214 0.000 1.126 530 R CA 1.496 57.503 56.100 -0.155 0.000 0.963 530 R CB -0.261 29.992 30.300 -0.077 0.000 0.858 530 R HN 0.337 nan 8.270 nan 0.000 0.435 531 A N 0.297 122.904 122.820 -0.356 0.000 1.898 531 A HA -0.106 4.707 4.320 0.822 0.000 0.216 531 A C 2.279 179.661 177.584 -0.337 0.000 1.181 531 A CA 1.267 53.109 52.037 -0.324 0.000 0.620 531 A CB -0.541 18.172 19.000 -0.477 0.000 0.819 531 A HN 0.131 nan 8.150 nan 0.000 0.442 532 V N -0.210 119.382 119.914 -0.535 0.000 2.287 532 V HA -0.249 4.364 4.120 0.822 0.000 0.248 532 V C 2.903 178.849 176.094 -0.247 0.000 1.053 532 V CA 2.030 64.055 62.300 -0.459 0.000 1.027 532 V CB -0.968 30.467 31.823 -0.646 0.000 0.646 532 V HN 0.601 nan 8.190 nan 0.000 0.447 533 A N -1.436 121.258 122.820 -0.211 0.000 2.206 533 A HA 0.155 4.968 4.320 0.822 0.000 0.211 533 A C 1.092 178.623 177.584 -0.089 0.000 1.158 533 A CA 0.836 52.798 52.037 -0.124 0.000 0.761 533 A CB -0.250 18.691 19.000 -0.099 0.000 0.801 533 A HN 0.592 nan 8.150 nan 0.000 0.473 534 S N 0.000 115.642 115.700 -0.097 0.000 2.498 534 S HA 0.000 4.963 4.470 0.822 0.000 0.327 534 S CA 0.000 58.165 58.200 -0.058 0.000 1.107 534 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 534 S HN 0.000 nan 8.310 nan 0.000 0.517