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 1kxt_1_E DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENIV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRIDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AIKSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKIAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGQPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE DVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAEDPFIAI HAESKL 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.885 176.000 -0.192 0.000 1.003 1 Q CA 0.000 55.688 55.803 -0.191 0.000 1.022 1 Q CB 0.000 28.460 28.738 -0.464 0.000 1.108 2 Y N 0.546 120.943 120.300 0.162 0.000 2.397 2 Y HA 0.561 5.111 4.550 -0.001 0.000 0.292 2 Y C 0.904 176.849 175.900 0.075 0.000 1.115 2 Y CA 0.354 58.552 58.100 0.165 0.000 1.208 2 Y CB 0.176 38.669 38.460 0.054 0.000 1.046 2 Y HN 0.094 nan 8.280 nan 0.000 0.552 3 A N 3.123 126.003 122.820 0.100 0.000 2.492 3 A HA 0.118 4.438 4.320 -0.001 0.000 0.254 3 A C -1.254 176.043 177.584 -0.478 0.000 1.091 3 A CA -1.118 50.826 52.037 -0.155 0.000 0.768 3 A CB -0.071 18.892 19.000 -0.062 0.000 1.028 3 A HN 0.144 nan 8.150 nan 0.000 0.498 4 P HA -0.197 nan 4.420 nan 0.000 0.218 4 P C -0.031 176.979 177.300 -0.483 0.000 1.148 4 P CA 1.134 63.263 63.100 -1.618 0.000 0.822 4 P CB 0.067 30.738 31.700 -1.716 0.000 0.784 5 Q N -1.081 118.583 119.800 -0.226 0.000 2.493 5 Q HA -0.105 4.234 4.340 -0.001 0.000 0.260 5 Q C 0.322 176.413 176.000 0.152 0.000 0.905 5 Q CA 1.334 57.166 55.803 0.048 0.000 1.140 5 Q CB -3.227 25.579 28.738 0.114 0.000 1.435 5 Q HN 0.513 nan 8.270 nan 0.000 0.581 6 T N -2.883 111.700 114.554 0.048 0.000 2.788 6 T HA 0.357 4.707 4.350 -0.001 0.000 0.287 6 T C 0.494 175.217 174.700 0.038 0.000 1.007 6 T CA -0.622 61.538 62.100 0.100 0.000 1.005 6 T CB 1.610 70.547 68.868 0.114 0.000 1.012 6 T HN 0.249 nan 8.240 nan 0.000 0.530 7 Q N 1.366 121.174 119.800 0.014 0.000 2.274 7 Q HA 0.188 4.528 4.340 -0.001 0.000 0.280 7 Q C 0.206 176.190 176.000 -0.027 0.000 1.047 7 Q CA -0.564 55.226 55.803 -0.022 0.000 0.907 7 Q CB 0.352 29.069 28.738 -0.035 0.000 1.171 7 Q HN 0.898 nan 8.270 nan 0.000 0.381 8 S N 2.932 118.612 115.700 -0.034 0.000 2.599 8 S HA 0.180 4.650 4.470 -0.001 0.000 0.303 8 S C 1.089 175.648 174.600 -0.068 0.000 1.267 8 S CA 0.091 58.264 58.200 -0.046 0.000 1.055 8 S CB 0.637 63.811 63.200 -0.043 0.000 0.790 8 S HN 1.136 nan 8.310 nan 0.000 0.500 9 G N 3.088 111.839 108.800 -0.082 0.000 2.284 9 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.230 9 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.230 9 G C 0.053 174.866 174.900 -0.146 0.000 1.021 9 G CA -0.133 44.889 45.100 -0.130 0.000 0.619 9 G HN 0.861 nan 8.290 nan 0.000 0.510 10 R N 1.308 121.754 120.500 -0.088 0.000 2.202 10 R HA 0.506 4.846 4.340 -0.001 0.000 0.334 10 R C 1.278 177.585 176.300 0.010 0.000 1.036 10 R CA 0.509 56.572 56.100 -0.062 0.000 0.878 10 R CB 0.764 31.060 30.300 -0.008 0.000 1.067 10 R HN 0.358 nan 8.270 nan 0.000 0.457 11 T N -2.487 112.047 114.554 -0.033 0.000 3.044 11 T HA 0.204 4.553 4.350 -0.001 0.000 0.260 11 T C 0.610 175.160 174.700 -0.251 0.000 1.019 11 T CA -0.195 61.915 62.100 0.017 0.000 0.921 11 T CB 0.517 69.353 68.868 -0.054 0.000 1.053 11 T HN 0.247 nan 8.240 nan 0.000 0.533 12 S N 0.984 116.521 115.700 -0.272 0.000 2.667 12 S HA 0.844 5.314 4.470 -0.001 0.000 0.292 12 S C -1.042 173.438 174.600 -0.200 0.000 1.126 12 S CA -1.026 56.892 58.200 -0.470 0.000 0.881 12 S CB 1.733 64.728 63.200 -0.341 0.000 1.132 12 S HN 0.602 nan 8.310 nan 0.000 0.492 13 I N -0.736 119.710 120.570 -0.207 0.000 2.769 13 I HA 0.900 5.070 4.170 -0.001 0.000 0.298 13 I C -1.034 175.113 176.117 0.051 0.000 1.128 13 I CA -1.204 60.107 61.300 0.018 0.000 1.031 13 I CB 1.945 39.938 38.000 -0.012 0.000 1.235 13 I HN 0.455 nan 8.210 nan 0.000 0.423 14 V N 0.884 120.872 119.914 0.124 0.000 2.715 14 V HA 0.530 4.650 4.120 -0.001 0.000 0.310 14 V C -0.743 175.387 176.094 0.060 0.000 1.054 14 V CA -0.511 61.833 62.300 0.074 0.000 0.928 14 V CB 1.394 33.214 31.823 -0.004 0.000 1.007 14 V HN 0.918 nan 8.190 nan 0.000 0.437 15 H N 4.513 123.546 119.070 -0.061 0.000 2.820 15 H HA 0.486 5.041 4.556 -0.001 0.000 0.278 15 H C -0.274 174.987 175.328 -0.111 0.000 1.142 15 H CA -1.137 54.896 56.048 -0.025 0.000 1.346 15 H CB 0.742 30.509 29.762 0.008 0.000 1.438 15 H HN 0.750 nan 8.280 nan 0.000 0.473 16 L N 7.363 128.461 121.223 -0.208 0.000 2.583 16 L HA 0.110 4.449 4.340 -0.001 0.000 0.239 16 L C 0.345 177.086 176.870 -0.215 0.000 1.347 16 L CA -0.415 54.019 54.840 -0.677 0.000 1.246 16 L CB -0.805 40.614 42.059 -1.067 0.000 1.496 16 L HN 0.577 nan 8.230 nan 0.000 0.413 17 F N 3.724 123.399 119.950 -0.459 0.000 2.417 17 F HA -0.194 4.332 4.527 -0.001 0.000 0.412 17 F C 1.159 177.164 175.800 0.342 0.000 0.964 17 F CA 0.403 58.218 58.000 -0.308 0.000 1.081 17 F CB 0.163 38.952 39.000 -0.352 0.000 0.909 17 F HN 0.519 nan 8.300 nan 0.000 0.522 18 E N 2.447 122.737 120.200 0.149 0.000 2.971 18 E HA -0.290 4.060 4.350 -0.001 0.000 0.278 18 E C -0.698 176.065 176.600 0.272 0.000 1.009 18 E CA 0.916 57.368 56.400 0.086 0.000 0.862 18 E CB -1.465 28.118 29.700 -0.195 0.000 1.436 18 E HN 0.628 nan 8.360 nan 0.000 0.434 19 W N 1.419 122.727 121.300 0.014 0.000 2.202 19 W HA 0.218 4.878 4.660 -0.000 0.000 0.332 19 W C 1.515 177.945 176.519 -0.147 0.000 1.263 19 W CA -0.080 57.182 57.345 -0.138 0.000 1.223 19 W CB 0.359 29.732 29.460 -0.144 0.000 1.128 19 W HN -0.091 nan 8.180 nan 0.000 0.573 20 R N 1.673 122.133 120.500 -0.066 0.000 2.560 20 R HA 0.110 4.450 4.340 -0.001 0.000 0.270 20 R C 1.094 177.493 176.300 0.164 0.000 1.074 20 R CA -0.395 55.595 56.100 -0.183 0.000 1.140 20 R CB 0.610 30.803 30.300 -0.178 0.000 1.073 20 R HN 0.706 nan 8.270 nan 0.000 0.527 21 W N 0.719 122.072 121.300 0.089 0.000 2.358 21 W HA -0.215 4.445 4.660 -0.000 0.000 0.303 21 W C 2.030 178.567 176.519 0.030 0.000 1.208 21 W CA 0.450 57.841 57.345 0.075 0.000 1.274 21 W CB -0.286 29.238 29.460 0.107 0.000 1.138 21 W HN 0.460 nan 8.180 nan 0.000 0.515 22 V N -1.630 118.428 119.914 0.241 0.000 2.343 22 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 22 V C 1.659 177.804 176.094 0.085 0.000 1.051 22 V CA 2.211 64.585 62.300 0.123 0.000 1.036 22 V CB -1.021 30.838 31.823 0.060 0.000 0.654 22 V HN 0.030 nan 8.190 nan 0.000 0.451 23 D N 0.619 121.052 120.400 0.055 0.000 2.144 23 D HA -0.020 4.620 4.640 -0.001 0.000 0.200 23 D C 2.183 178.604 176.300 0.202 0.000 0.978 23 D CA 1.749 55.758 54.000 0.015 0.000 0.833 23 D CB -0.121 40.535 40.800 -0.241 0.000 0.961 23 D HN 0.510 nan 8.370 nan 0.000 0.470 24 I N 1.136 121.885 120.570 0.297 0.000 2.315 24 I HA -0.205 3.965 4.170 -0.001 0.000 0.248 24 I C 2.486 178.667 176.117 0.106 0.000 1.117 24 I CA 0.663 62.113 61.300 0.249 0.000 1.404 24 I CB -0.173 37.968 38.000 0.235 0.000 1.071 24 I HN -0.093 nan 8.210 nan 0.000 0.419 25 A N 1.186 124.059 122.820 0.089 0.000 1.883 25 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 25 A C 2.302 179.908 177.584 0.036 0.000 1.186 25 A CA 1.525 53.578 52.037 0.026 0.000 0.624 25 A CB -0.858 18.160 19.000 0.030 0.000 0.822 25 A HN 0.360 nan 8.150 nan 0.000 0.444 26 L N -1.190 120.068 121.223 0.058 0.000 2.027 26 L HA -0.186 4.154 4.340 -0.001 0.000 0.206 26 L C 2.679 179.596 176.870 0.079 0.000 1.074 26 L CA 1.744 56.618 54.840 0.055 0.000 0.745 26 L CB -0.450 41.634 42.059 0.042 0.000 0.898 26 L HN 0.486 nan 8.230 nan 0.000 0.433 27 E N -0.316 119.956 120.200 0.120 0.000 2.085 27 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 27 E C 2.254 178.913 176.600 0.099 0.000 0.994 27 E CA 1.746 58.233 56.400 0.145 0.000 0.801 27 E CB -0.276 29.541 29.700 0.195 0.000 0.743 27 E HN 0.444 nan 8.360 nan 0.000 0.453 28 c N 0.633 119.258 118.600 0.041 0.000 2.413 28 c HA -0.140 4.429 4.570 -0.001 0.000 0.276 28 c C 2.371 176.482 174.090 0.036 0.000 1.236 28 c CA 1.318 57.654 56.329 0.011 0.000 1.735 28 c CB -0.993 41.497 42.510 -0.032 0.000 2.031 28 c HN 0.558 nan 8.230 nan 0.000 0.474 29 E N 0.491 120.714 120.200 0.038 0.000 2.047 29 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 29 E C 2.210 178.849 176.600 0.066 0.000 0.987 29 E CA 1.075 57.500 56.400 0.042 0.000 0.799 29 E CB -0.317 29.403 29.700 0.033 0.000 0.752 29 E HN 0.718 nan 8.360 nan 0.000 0.449 30 R N -1.079 119.476 120.500 0.091 0.000 2.310 30 R HA 0.018 4.358 4.340 -0.001 0.000 0.202 30 R C 0.887 177.310 176.300 0.204 0.000 0.933 30 R CA 0.738 56.908 56.100 0.118 0.000 1.054 30 R CB 0.164 30.527 30.300 0.104 0.000 0.985 30 R HN 0.291 nan 8.270 nan 0.000 0.489 31 Y N -0.503 119.815 120.300 0.030 0.000 3.297 31 Y HA 0.179 4.728 4.550 -0.000 0.000 0.165 31 Y C 1.496 177.424 175.900 0.047 0.000 0.957 31 Y CA -0.289 57.831 58.100 0.032 0.000 1.825 31 Y CB -0.058 38.405 38.460 0.006 0.000 1.403 31 Y HN -0.138 nan 8.280 nan 0.000 0.297 32 L N 0.903 122.145 121.223 0.031 0.000 1.997 32 L HA -0.240 4.099 4.340 -0.001 0.000 0.216 32 L C 2.433 179.374 176.870 0.118 0.000 1.074 32 L CA 1.987 56.793 54.840 -0.056 0.000 0.763 32 L CB -1.199 40.823 42.059 -0.062 0.000 0.890 32 L HN 0.589 nan 8.230 nan 0.000 0.434 33 G N 0.140 108.986 108.800 0.076 0.000 2.453 33 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.215 33 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.215 33 G C -0.623 174.345 174.900 0.114 0.000 1.201 33 G CA 0.813 45.965 45.100 0.087 0.000 0.784 33 G HN 0.325 nan 8.290 nan 0.000 0.545 34 P HA -0.037 nan 4.420 nan 0.000 0.218 34 P C 1.362 178.757 177.300 0.158 0.000 1.148 34 P CA 1.214 64.369 63.100 0.092 0.000 0.822 34 P CB 0.082 31.799 31.700 0.028 0.000 0.784 35 K N -1.509 118.955 120.400 0.107 0.000 2.458 35 K HA 0.287 4.606 4.320 -0.001 0.000 0.194 35 K C 1.202 178.096 176.600 0.490 0.000 1.024 35 K CA 0.582 57.001 56.287 0.220 0.000 1.108 35 K CB -0.976 31.510 32.500 -0.023 0.000 0.846 35 K HN 0.105 nan 8.250 nan 0.000 0.518 36 G N 0.528 109.555 108.800 0.377 0.000 2.153 36 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.252 36 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.252 36 G C -0.161 174.784 174.900 0.075 0.000 0.994 36 G CA -0.231 44.960 45.100 0.152 0.000 0.698 36 G HN 0.216 nan 8.290 nan 0.000 0.521 37 F N 0.879 120.854 119.950 0.043 0.000 2.578 37 F HA 0.422 4.949 4.527 -0.000 0.000 0.376 37 F C 1.916 177.737 175.800 0.035 0.000 1.085 37 F CA 0.984 59.007 58.000 0.037 0.000 1.260 37 F CB 0.892 39.922 39.000 0.050 0.000 1.095 37 F HN 0.017 nan 8.300 nan 0.000 0.573 38 G N 2.058 110.954 108.800 0.160 0.000 2.402 38 G HA2 0.320 4.279 3.960 -0.001 0.000 0.216 38 G HA3 0.320 4.279 3.960 -0.001 0.000 0.216 38 G C 0.601 175.647 174.900 0.245 0.000 1.162 38 G CA 0.776 45.979 45.100 0.172 0.000 0.777 38 G HN 1.032 nan 8.290 nan 0.000 0.539 39 G N -2.340 106.642 108.800 0.302 0.000 2.495 39 G HA2 0.473 4.433 3.960 -0.001 0.000 0.294 39 G HA3 0.473 4.433 3.960 -0.001 0.000 0.294 39 G C -2.128 172.949 174.900 0.294 0.000 1.397 39 G CA -0.218 45.094 45.100 0.354 0.000 0.790 39 G HN 0.470 nan 8.290 nan 0.000 0.486 40 V N 0.113 120.189 119.914 0.271 0.000 2.680 40 V HA 0.604 4.724 4.120 -0.001 0.000 0.309 40 V C -0.199 176.073 176.094 0.296 0.000 1.052 40 V CA -0.695 61.709 62.300 0.174 0.000 0.908 40 V CB 1.755 33.584 31.823 0.010 0.000 1.001 40 V HN 0.836 nan 8.190 nan 0.000 0.431 41 Q N 3.064 123.027 119.800 0.272 0.000 2.331 41 Q HA 0.597 4.937 4.340 -0.001 0.000 0.257 41 Q C -0.798 175.426 176.000 0.373 0.000 0.957 41 Q CA -0.512 55.489 55.803 0.331 0.000 0.923 41 Q CB 1.697 30.575 28.738 0.232 0.000 1.212 41 Q HN 0.796 nan 8.270 nan 0.000 0.443 42 V N 1.480 121.593 119.914 0.332 0.000 2.539 42 V HA 0.534 4.654 4.120 -0.001 0.000 0.292 42 V C 0.265 176.651 176.094 0.486 0.000 1.045 42 V CA -0.822 61.726 62.300 0.414 0.000 0.945 42 V CB 1.508 33.522 31.823 0.319 0.000 0.993 42 V HN 0.759 nan 8.190 nan 0.000 0.464 43 S N 4.102 120.144 115.700 0.569 0.000 2.580 43 S HA 0.234 4.703 4.470 -0.001 0.000 0.261 43 S C -2.253 172.594 174.600 0.412 0.000 1.366 43 S CA -0.174 58.312 58.200 0.475 0.000 0.996 43 S CB -0.169 63.263 63.200 0.386 0.000 0.902 43 S HN 0.838 nan 8.310 nan 0.000 0.566 44 P HA 0.054 nan 4.420 nan 0.000 0.261 44 P C -1.840 175.631 177.300 0.285 0.000 1.183 44 P CA -0.654 62.556 63.100 0.183 0.000 0.761 44 P CB 0.162 31.840 31.700 -0.036 0.000 0.785 45 P HA -0.028 nan 4.420 nan 0.000 0.257 45 P C -0.186 177.231 177.300 0.195 0.000 1.241 45 P CA 0.474 63.782 63.100 0.347 0.000 0.816 45 P CB 0.253 31.928 31.700 -0.042 0.000 1.150 46 N N 0.863 119.659 118.700 0.160 0.000 2.483 46 N HA 0.014 4.753 4.740 -0.001 0.000 0.269 46 N C -0.161 175.341 175.510 -0.013 0.000 1.209 46 N CA -0.281 52.791 53.050 0.037 0.000 0.969 46 N CB 1.185 39.591 38.487 -0.135 0.000 1.173 46 N HN -0.011 nan 8.380 nan 0.000 0.475 47 E N 0.206 120.373 120.200 -0.054 0.000 2.452 47 E HA -0.067 4.283 4.350 -0.001 0.000 0.261 47 E C -0.295 176.263 176.600 -0.069 0.000 0.987 47 E CA -0.081 56.290 56.400 -0.049 0.000 0.926 47 E CB 0.345 30.014 29.700 -0.052 0.000 0.934 47 E HN 0.729 nan 8.360 nan 0.000 0.452 48 N N 3.741 122.419 118.700 -0.037 0.000 2.545 48 N HA 0.278 5.017 4.740 -0.001 0.000 0.289 48 N C -0.682 174.823 175.510 -0.007 0.000 1.279 48 N CA -0.772 52.265 53.050 -0.023 0.000 0.824 48 N CB 0.832 39.312 38.487 -0.011 0.000 1.395 48 N HN 0.339 nan 8.380 nan 0.000 0.526 49 I N 0.377 120.955 120.570 0.014 0.000 2.662 49 I HA 0.167 4.336 4.170 -0.001 0.000 0.291 49 I C -0.551 175.561 176.117 -0.008 0.000 1.046 49 I CA -0.492 60.815 61.300 0.011 0.000 1.361 49 I CB 1.082 39.103 38.000 0.035 0.000 1.429 49 I HN 0.308 nan 8.210 nan 0.000 0.558 50 V N 7.730 127.629 119.914 -0.025 0.000 2.364 50 V HA 0.274 4.394 4.120 -0.001 0.000 0.272 50 V C -0.261 175.801 176.094 -0.052 0.000 1.036 50 V CA -0.571 61.702 62.300 -0.044 0.000 0.880 50 V CB 1.175 32.971 31.823 -0.045 0.000 0.991 50 V HN 0.466 nan 8.190 nan 0.000 0.460 51 V N 5.271 125.136 119.914 -0.082 0.000 2.407 51 V HA 0.284 4.403 4.120 -0.001 0.000 0.278 51 V C 1.156 177.171 176.094 -0.132 0.000 1.037 51 V CA 0.253 62.494 62.300 -0.099 0.000 0.900 51 V CB 1.532 33.263 31.823 -0.152 0.000 0.983 51 V HN 1.034 nan 8.190 nan 0.000 0.459 52 T N 0.172 114.663 114.554 -0.104 0.000 3.001 52 T HA 0.134 4.484 4.350 -0.001 0.000 0.251 52 T C 0.541 175.161 174.700 -0.134 0.000 1.040 52 T CA 0.023 62.059 62.100 -0.106 0.000 0.985 52 T CB -0.152 68.672 68.868 -0.073 0.000 1.011 52 T HN 0.497 nan 8.240 nan 0.000 0.509 53 N N 3.057 121.674 118.700 -0.138 0.000 2.623 53 N HA 0.396 5.136 4.740 -0.001 0.000 0.256 53 N C -2.722 172.677 175.510 -0.185 0.000 1.045 53 N CA -1.629 51.323 53.050 -0.164 0.000 0.863 53 N CB 1.523 39.949 38.487 -0.102 0.000 1.182 53 N HN 0.098 nan 8.380 nan 0.000 0.523 54 P HA 0.125 nan 4.420 nan 0.000 0.277 54 P C -0.386 176.664 177.300 -0.415 0.000 1.276 54 P CA -0.495 62.226 63.100 -0.631 0.000 0.788 54 P CB 0.662 31.426 31.700 -1.559 0.000 1.114 55 S N 1.369 116.904 115.700 -0.274 0.000 2.519 55 S HA 0.053 4.522 4.470 -0.001 0.000 0.320 55 S C 0.068 174.650 174.600 -0.029 0.000 1.179 55 S CA -0.327 57.819 58.200 -0.090 0.000 1.173 55 S CB -1.251 61.950 63.200 0.002 0.000 1.224 55 S HN 0.378 nan 8.310 nan 0.000 0.542 56 R N 1.416 121.843 120.500 -0.123 0.000 3.152 56 R HA -0.098 4.241 4.340 -0.001 0.000 0.252 56 R C -2.649 173.561 176.300 -0.149 0.000 0.930 56 R CA 0.293 56.312 56.100 -0.134 0.000 0.642 56 R CB -2.899 27.353 30.300 -0.081 0.000 1.205 56 R HN 0.516 nan 8.270 nan 0.000 0.452 57 P HA 0.044 nan 4.420 nan 0.000 0.275 57 P C 1.437 178.474 177.300 -0.438 0.000 1.266 57 P CA -0.557 62.258 63.100 -0.475 0.000 0.793 57 P CB 0.255 31.131 31.700 -1.373 0.000 1.074 58 W N 1.422 122.579 121.300 -0.239 0.000 2.388 58 W HA -0.083 4.577 4.660 -0.000 0.000 0.294 58 W C 1.785 178.418 176.519 0.189 0.000 1.212 58 W CA 0.687 58.041 57.345 0.015 0.000 1.271 58 W CB -1.769 27.844 29.460 0.255 0.000 1.126 58 W HN 0.411 nan 8.180 nan 0.000 0.535 59 W N 3.423 124.500 121.300 -0.371 0.000 2.611 59 W HA -0.043 4.617 4.660 -0.001 0.000 0.251 59 W C 1.677 178.245 176.519 0.082 0.000 1.265 59 W CA 1.017 58.240 57.345 -0.204 0.000 1.295 59 W CB -1.475 27.497 29.460 -0.814 0.000 1.129 59 W HN 0.230 nan 8.180 nan 0.000 0.630 60 E N 1.924 122.155 120.200 0.052 0.000 2.267 60 E HA -0.205 4.145 4.350 -0.001 0.000 0.197 60 E C 1.794 178.472 176.600 0.131 0.000 0.998 60 E CA 1.086 57.545 56.400 0.098 0.000 0.830 60 E CB -0.632 29.012 29.700 -0.092 0.000 0.751 60 E HN 0.263 nan 8.360 nan 0.000 0.491 61 R N -0.383 120.192 120.500 0.125 0.000 2.357 61 R HA -0.050 4.290 4.340 -0.001 0.000 0.202 61 R C 0.421 176.591 176.300 -0.217 0.000 1.047 61 R CA 0.748 56.828 56.100 -0.032 0.000 1.034 61 R CB -0.101 30.165 30.300 -0.058 0.000 0.875 61 R HN 0.358 nan 8.270 nan 0.000 0.473 62 Y N 0.203 120.671 120.300 0.280 0.000 2.607 62 Y HA 0.204 4.754 4.550 -0.001 0.000 0.266 62 Y C 0.222 176.301 175.900 0.298 0.000 1.178 62 Y CA -0.122 58.165 58.100 0.311 0.000 1.226 62 Y CB 0.660 39.343 38.460 0.371 0.000 1.144 62 Y HN -0.092 nan 8.280 nan 0.000 0.528 63 Q N 1.288 121.233 119.800 0.242 0.000 2.700 63 Q HA 0.280 4.619 4.340 -0.001 0.000 0.249 63 Q C -2.719 173.332 176.000 0.086 0.000 1.033 63 Q CA -2.040 53.874 55.803 0.184 0.000 0.804 63 Q CB 1.309 30.140 28.738 0.155 0.000 1.164 63 Q HN 0.078 nan 8.270 nan 0.000 0.500 64 P HA -0.057 nan 4.420 nan 0.000 0.272 64 P C 0.401 177.615 177.300 -0.144 0.000 1.223 64 P CA 0.039 63.077 63.100 -0.105 0.000 0.784 64 P CB 0.990 32.570 31.700 -0.200 0.000 0.923 65 V N -1.158 118.665 119.914 -0.153 0.000 3.485 65 V HA 0.382 4.502 4.120 -0.001 0.000 0.280 65 V C 0.090 176.111 176.094 -0.121 0.000 1.495 65 V CA 0.694 62.981 62.300 -0.023 0.000 1.018 65 V CB -0.193 31.678 31.823 0.081 0.000 0.818 65 V HN 0.685 nan 8.190 nan 0.000 0.436 66 S N -1.340 114.156 115.700 -0.341 0.000 2.656 66 S HA 0.530 5.000 4.470 -0.001 0.000 0.265 66 S C -0.871 173.328 174.600 -0.668 0.000 1.110 66 S CA -0.234 57.686 58.200 -0.467 0.000 0.821 66 S CB 0.555 63.644 63.200 -0.185 0.000 1.099 66 S HN 0.087 nan 8.310 nan 0.000 0.471 67 Y N 1.036 121.172 120.300 -0.273 0.000 2.571 67 Y HA 0.425 4.975 4.550 -0.000 0.000 0.275 67 Y C 0.693 176.493 175.900 -0.166 0.000 1.179 67 Y CA -0.647 57.207 58.100 -0.410 0.000 1.242 67 Y CB -0.118 38.057 38.460 -0.474 0.000 1.126 67 Y HN 0.402 nan 8.280 nan 0.000 0.524 68 K N 0.860 121.252 120.400 -0.013 0.000 2.401 68 K HA 0.181 4.500 4.320 -0.001 0.000 0.278 68 K C -0.613 176.021 176.600 0.055 0.000 1.018 68 K CA -0.363 55.948 56.287 0.040 0.000 0.981 68 K CB 0.640 33.153 32.500 0.023 0.000 0.933 68 K HN -0.020 nan 8.250 nan 0.000 0.477 69 L N 3.662 124.930 121.223 0.075 0.000 2.423 69 L HA 0.127 4.466 4.340 -0.001 0.000 0.249 69 L C -0.399 176.547 176.870 0.127 0.000 1.276 69 L CA 0.085 54.960 54.840 0.059 0.000 1.199 69 L CB -0.155 41.871 42.059 -0.054 0.000 1.407 69 L HN 0.579 nan 8.230 nan 0.000 0.410 70 c N 1.778 120.447 118.600 0.114 0.000 2.679 70 c HA 0.782 5.352 4.570 -0.001 0.000 0.354 70 c C 0.329 174.454 174.090 0.059 0.000 1.067 70 c CA 0.196 56.587 56.329 0.103 0.000 1.317 70 c CB -0.010 42.542 42.510 0.069 0.000 1.843 70 c HN 0.869 nan 8.230 nan 0.000 0.459 71 T N 2.304 116.882 114.554 0.040 0.000 2.618 71 T HA 0.508 4.858 4.350 -0.001 0.000 0.286 71 T C 0.937 175.567 174.700 -0.116 0.000 1.027 71 T CA -0.658 61.422 62.100 -0.035 0.000 1.063 71 T CB 0.951 69.801 68.868 -0.030 0.000 1.440 71 T HN 0.542 nan 8.240 nan 0.000 0.505 72 R N 0.161 120.573 120.500 -0.146 0.000 2.189 72 R HA 0.117 4.457 4.340 -0.001 0.000 0.218 72 R C 2.329 178.451 176.300 -0.296 0.000 1.074 72 R CA 1.000 56.997 56.100 -0.172 0.000 0.991 72 R CB -0.349 29.867 30.300 -0.139 0.000 0.883 72 R HN 0.503 nan 8.270 nan 0.000 0.457 73 S N -0.390 115.006 115.700 -0.507 0.000 2.489 73 S HA 0.123 4.593 4.470 -0.001 0.000 0.228 73 S C 0.725 174.669 174.600 -1.093 0.000 0.995 73 S CA 0.755 58.365 58.200 -0.983 0.000 0.934 73 S CB 0.530 62.581 63.200 -1.915 0.000 0.771 73 S HN 0.640 nan 8.310 nan 0.000 0.522 74 G N 0.491 108.915 108.800 -0.627 0.000 2.369 74 G HA2 0.041 4.001 3.960 -0.001 0.000 0.307 74 G HA3 0.041 4.001 3.960 -0.001 0.000 0.307 74 G C -1.321 173.664 174.900 0.142 0.000 1.327 74 G CA -1.072 43.909 45.100 -0.199 0.000 0.963 74 G HN 0.282 nan 8.290 nan 0.000 0.590 75 N N -0.722 118.122 118.700 0.239 0.000 2.418 75 N HA 0.331 5.070 4.740 -0.001 0.000 0.283 75 N C 1.274 176.990 175.510 0.343 0.000 1.267 75 N CA -0.085 53.108 53.050 0.239 0.000 0.975 75 N CB 1.358 39.938 38.487 0.154 0.000 1.167 75 N HN 0.744 nan 8.380 nan 0.000 0.581 76 E N 0.738 121.080 120.200 0.236 0.000 2.077 76 E HA -0.272 4.078 4.350 -0.001 0.000 0.193 76 E C 1.419 178.163 176.600 0.241 0.000 0.989 76 E CA 1.381 57.916 56.400 0.226 0.000 0.800 76 E CB -0.028 29.760 29.700 0.147 0.000 0.746 76 E HN 0.601 nan 8.360 nan 0.000 0.452 77 N N 0.810 119.623 118.700 0.188 0.000 2.166 77 N HA -0.226 4.514 4.740 -0.001 0.000 0.186 77 N C 1.397 177.006 175.510 0.165 0.000 1.019 77 N CA 1.605 54.747 53.050 0.153 0.000 0.856 77 N CB -0.473 38.084 38.487 0.116 0.000 0.993 77 N HN 0.354 nan 8.380 nan 0.000 0.426 78 E N -0.245 120.093 120.200 0.230 0.000 2.072 78 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 78 E C 1.669 178.403 176.600 0.223 0.000 0.985 78 E CA 0.796 57.350 56.400 0.256 0.000 0.801 78 E CB -0.337 29.575 29.700 0.354 0.000 0.750 78 E HN 0.334 nan 8.360 nan 0.000 0.452 79 F N 2.024 122.019 119.950 0.076 0.000 2.126 79 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 79 F C 2.244 177.909 175.800 -0.226 0.000 1.096 79 F CA 1.550 59.319 58.000 -0.384 0.000 1.255 79 F CB 0.061 38.814 39.000 -0.413 0.000 0.997 79 F HN -0.201 nan 8.300 nan 0.000 0.479 80 R N 0.019 120.541 120.500 0.036 0.000 2.073 80 R HA -0.206 4.134 4.340 -0.001 0.000 0.234 80 R C 2.029 178.266 176.300 -0.106 0.000 1.134 80 R CA 1.886 57.971 56.100 -0.025 0.000 0.952 80 R CB -0.853 29.502 30.300 0.092 0.000 0.850 80 R HN 0.320 nan 8.270 nan 0.000 0.433 81 D N 0.352 120.728 120.400 -0.040 0.000 2.123 81 D HA -0.222 4.418 4.640 -0.001 0.000 0.196 81 D C 1.906 178.140 176.300 -0.109 0.000 0.992 81 D CA 1.430 55.410 54.000 -0.033 0.000 0.833 81 D CB 0.008 40.821 40.800 0.022 0.000 0.954 81 D HN 0.117 nan 8.370 nan 0.000 0.455 82 M N -0.304 119.190 119.600 -0.177 0.000 2.065 82 M HA -0.195 4.284 4.480 -0.001 0.000 0.259 82 M C 1.903 177.986 176.300 -0.362 0.000 1.069 82 M CA 1.560 56.714 55.300 -0.243 0.000 1.110 82 M CB -0.170 32.239 32.600 -0.317 0.000 1.328 82 M HN 0.006 nan 8.290 nan 0.000 0.405 83 V N 0.546 120.134 119.914 -0.543 0.000 2.332 83 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 83 V C 2.333 178.109 176.094 -0.530 0.000 1.055 83 V CA 2.392 64.340 62.300 -0.586 0.000 1.038 83 V CB -1.335 30.093 31.823 -0.659 0.000 0.651 83 V HN 0.615 nan 8.190 nan 0.000 0.450 84 T N -0.433 113.916 114.554 -0.342 0.000 2.777 84 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 84 T C 2.084 176.696 174.700 -0.147 0.000 1.040 84 T CA 1.462 63.448 62.100 -0.189 0.000 1.141 84 T CB -0.211 68.700 68.868 0.071 0.000 0.868 84 T HN 0.414 nan 8.240 nan 0.000 0.444 85 R N -0.035 120.387 120.500 -0.131 0.000 2.090 85 R HA 0.048 4.388 4.340 -0.001 0.000 0.228 85 R C 2.720 178.943 176.300 -0.128 0.000 1.110 85 R CA 0.996 57.046 56.100 -0.083 0.000 0.973 85 R CB -0.565 29.704 30.300 -0.052 0.000 0.869 85 R HN 0.357 nan 8.270 nan 0.000 0.440 86 c N 0.643 119.118 118.600 -0.209 0.000 2.476 86 c HA 0.006 4.575 4.570 -0.001 0.000 0.278 86 c C 2.276 176.208 174.090 -0.262 0.000 1.274 86 c CA 0.400 56.606 56.329 -0.205 0.000 1.713 86 c CB -0.867 41.502 42.510 -0.235 0.000 2.039 86 c HN 0.513 nan 8.230 nan 0.000 0.484 87 N N 1.634 120.057 118.700 -0.462 0.000 2.223 87 N HA -0.100 4.639 4.740 -0.001 0.000 0.185 87 N C 1.269 176.582 175.510 -0.327 0.000 1.016 87 N CA 1.065 53.728 53.050 -0.646 0.000 0.863 87 N CB -0.588 36.943 38.487 -1.593 0.000 0.983 87 N HN 0.533 nan 8.380 nan 0.000 0.429 88 N N 0.519 119.136 118.700 -0.139 0.000 2.443 88 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 88 N C 1.296 176.816 175.510 0.016 0.000 1.037 88 N CA 0.572 53.659 53.050 0.063 0.000 0.896 88 N CB 0.123 38.670 38.487 0.100 0.000 0.959 88 N HN 0.258 nan 8.380 nan 0.000 0.442 89 V N -4.508 115.387 119.914 -0.032 0.000 3.085 89 V HA 0.574 4.694 4.120 -0.001 0.000 0.345 89 V C 0.983 177.065 176.094 -0.021 0.000 1.397 89 V CA 0.001 62.295 62.300 -0.011 0.000 1.165 89 V CB 0.013 31.837 31.823 0.001 0.000 1.153 89 V HN 0.140 nan 8.190 nan 0.000 0.495 90 G N 0.368 109.134 108.800 -0.056 0.000 2.176 90 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.252 90 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.252 90 G C -0.077 174.794 174.900 -0.049 0.000 1.024 90 G CA 0.223 45.285 45.100 -0.063 0.000 0.755 90 G HN 1.012 nan 8.290 nan 0.000 0.507 91 V N 1.541 121.410 119.914 -0.076 0.000 2.384 91 V HA 0.577 4.697 4.120 -0.001 0.000 0.287 91 V C 0.652 176.682 176.094 -0.107 0.000 1.020 91 V CA -1.303 60.975 62.300 -0.037 0.000 0.850 91 V CB 1.579 33.389 31.823 -0.022 0.000 0.987 91 V HN 0.327 nan 8.190 nan 0.000 0.436 92 R N 3.239 123.714 120.500 -0.043 0.000 2.560 92 R HA 0.550 4.890 4.340 -0.001 0.000 0.270 92 R C -0.908 175.252 176.300 -0.233 0.000 1.074 92 R CA -0.578 55.419 56.100 -0.171 0.000 1.140 92 R CB 1.273 31.481 30.300 -0.154 0.000 1.073 92 R HN 0.483 nan 8.270 nan 0.000 0.527 93 I N 2.498 122.807 120.570 -0.435 0.000 2.382 93 I HA 0.238 4.407 4.170 -0.001 0.000 0.286 93 I C -0.922 174.898 176.117 -0.494 0.000 1.002 93 I CA -0.344 60.742 61.300 -0.356 0.000 1.135 93 I CB 0.980 38.733 38.000 -0.412 0.000 1.288 93 I HN 0.336 nan 8.210 nan 0.000 0.448 94 Y N 5.162 125.449 120.300 -0.021 0.000 2.341 94 Y HA 0.597 5.147 4.550 -0.001 0.000 0.338 94 Y C -0.027 175.871 175.900 -0.004 0.000 0.965 94 Y CA -1.055 57.033 58.100 -0.020 0.000 1.108 94 Y CB 1.608 40.202 38.460 0.223 0.000 1.180 94 Y HN 0.168 nan 8.280 nan 0.000 0.458 95 V N 2.994 122.913 119.914 0.007 0.000 2.509 95 V HA 0.086 4.205 4.120 -0.001 0.000 0.284 95 V C -0.152 176.075 176.094 0.222 0.000 1.047 95 V CA -0.722 61.671 62.300 0.155 0.000 0.952 95 V CB 1.405 33.338 31.823 0.184 0.000 0.988 95 V HN 0.657 nan 8.190 nan 0.000 0.469 96 D N 4.303 124.838 120.400 0.224 0.000 2.359 96 D HA 0.288 4.928 4.640 -0.001 0.000 0.250 96 D C 0.204 176.634 176.300 0.217 0.000 1.264 96 D CA -0.060 54.054 54.000 0.191 0.000 0.911 96 D CB 0.979 41.927 40.800 0.247 0.000 1.056 96 D HN 0.692 nan 8.370 nan 0.000 0.499 97 A N 4.359 127.280 122.820 0.168 0.000 2.415 97 A HA 0.365 4.685 4.320 -0.001 0.000 0.309 97 A C -0.072 177.589 177.584 0.127 0.000 1.356 97 A CA -0.676 51.453 52.037 0.153 0.000 0.998 97 A CB 0.321 19.305 19.000 -0.027 0.000 1.145 97 A HN 0.388 nan 8.150 nan 0.000 0.545 98 V N 5.464 125.475 119.914 0.162 0.000 2.299 98 V HA 0.149 4.269 4.120 -0.001 0.000 0.255 98 V C 0.863 176.963 176.094 0.009 0.000 1.100 98 V CA 0.289 62.636 62.300 0.079 0.000 0.938 98 V CB -0.427 31.453 31.823 0.095 0.000 1.139 98 V HN 0.852 nan 8.190 nan 0.000 0.490 99 I N 0.474 121.024 120.570 -0.033 0.000 4.050 99 I HA 0.389 4.558 4.170 -0.001 0.000 0.327 99 I C 1.290 177.360 176.117 -0.078 0.000 1.473 99 I CA 0.106 61.397 61.300 -0.015 0.000 1.124 99 I CB 0.123 38.120 38.000 -0.006 0.000 1.129 99 I HN 0.467 nan 8.210 nan 0.000 0.428 100 N N 1.527 120.107 118.700 -0.199 0.000 2.395 100 N HA -0.014 4.726 4.740 -0.001 0.000 0.175 100 N C 0.356 175.820 175.510 -0.078 0.000 1.029 100 N CA 0.993 53.972 53.050 -0.119 0.000 0.897 100 N CB 0.178 38.650 38.487 -0.025 0.000 0.991 100 N HN 0.755 nan 8.380 nan 0.000 0.441 101 H N -3.737 115.366 119.070 0.055 0.000 2.918 101 H HA 0.524 5.079 4.556 -0.000 0.000 0.303 101 H C -0.824 174.513 175.328 0.016 0.000 1.380 101 H CA -1.047 55.031 56.048 0.050 0.000 1.134 101 H CB 0.455 30.253 29.762 0.059 0.000 1.842 101 H HN -0.259 nan 8.280 nan 0.000 0.533 102 M N 0.306 120.048 119.600 0.237 0.000 2.758 102 M HA 0.415 4.895 4.480 -0.001 0.000 0.281 102 M C 0.782 177.160 176.300 0.130 0.000 1.082 102 M CA -0.908 54.395 55.300 0.004 0.000 0.866 102 M CB 0.945 33.293 32.600 -0.419 0.000 1.662 102 M HN 0.998 nan 8.290 nan 0.000 0.515 103 C N 0.053 119.401 119.300 0.080 0.000 2.877 103 C HA 0.537 4.997 4.460 -0.001 0.000 0.302 103 C C 1.093 176.124 174.990 0.068 0.000 1.416 103 C CA -0.890 58.195 59.018 0.112 0.000 2.113 103 C CB -1.450 26.374 27.740 0.141 0.000 2.271 103 C HN 0.867 nan 8.230 nan 0.000 0.729 104 G N 0.495 109.312 108.800 0.029 0.000 2.398 104 G HA2 0.390 4.350 3.960 -0.001 0.000 0.246 104 G HA3 0.390 4.350 3.960 -0.001 0.000 0.246 104 G C 0.919 175.804 174.900 -0.025 0.000 1.289 104 G CA 0.342 45.428 45.100 -0.024 0.000 0.869 104 G HN 1.471 nan 8.290 nan 0.000 0.543 105 S N 1.267 116.934 115.700 -0.056 0.000 2.469 105 S HA -0.043 4.427 4.470 -0.001 0.000 0.238 105 S C 1.820 176.373 174.600 -0.078 0.000 0.998 105 S CA 0.906 59.059 58.200 -0.078 0.000 0.957 105 S CB 0.153 63.300 63.200 -0.088 0.000 0.764 105 S HN 0.877 nan 8.310 nan 0.000 0.514 106 G N 0.454 109.215 108.800 -0.066 0.000 3.609 106 G HA2 0.596 4.555 3.960 -0.001 0.000 0.280 106 G HA3 0.596 4.555 3.960 -0.001 0.000 0.280 106 G C 0.089 174.956 174.900 -0.056 0.000 1.155 106 G CA 0.000 45.062 45.100 -0.063 0.000 0.876 106 G HN 0.710 nan 8.290 nan 0.000 0.535 107 A N 0.528 123.315 122.820 -0.055 0.000 2.301 107 A HA 0.789 5.109 4.320 -0.001 0.000 0.298 107 A C 0.802 178.338 177.584 -0.081 0.000 1.185 107 A CA 0.038 52.045 52.037 -0.050 0.000 0.830 107 A CB 0.620 19.604 19.000 -0.027 0.000 1.112 107 A HN 0.921 nan 8.150 nan 0.000 0.508 108 A N 1.762 124.537 122.820 -0.075 0.000 2.520 108 A HA 0.508 4.828 4.320 -0.001 0.000 0.235 108 A C 0.928 178.434 177.584 -0.130 0.000 1.065 108 A CA 0.395 52.380 52.037 -0.086 0.000 0.764 108 A CB -0.240 18.722 19.000 -0.064 0.000 1.002 108 A HN 2.109 nan 8.150 nan 0.000 0.502 109 A N 0.985 123.720 122.820 -0.143 0.000 2.332 109 A HA 0.745 5.065 4.320 -0.001 0.000 0.258 109 A C 0.916 178.378 177.584 -0.203 0.000 1.087 109 A CA 0.585 52.482 52.037 -0.234 0.000 0.802 109 A CB 0.136 19.043 19.000 -0.156 0.000 1.042 109 A HN 2.779 nan 8.150 nan 0.000 0.489 110 G N -0.986 107.573 108.800 -0.401 0.000 2.340 110 G HA2 0.370 4.330 3.960 -0.001 0.000 0.282 110 G HA3 0.370 4.330 3.960 -0.001 0.000 0.282 110 G C 0.026 174.810 174.900 -0.193 0.000 1.312 110 G CA 0.381 45.395 45.100 -0.144 0.000 0.942 110 G HN 1.683 nan 8.290 nan 0.000 0.495 111 T N -1.850 112.707 114.554 0.006 0.000 3.258 111 T HA 0.502 4.852 4.350 -0.001 0.000 0.263 111 T C 1.157 175.848 174.700 -0.015 0.000 0.983 111 T CA 0.990 63.101 62.100 0.019 0.000 0.907 111 T CB 0.547 69.467 68.868 0.087 0.000 1.096 111 T HN 1.694 nan 8.240 nan 0.000 0.556 112 G N 2.449 111.221 108.800 -0.046 0.000 3.213 112 G HA2 0.448 4.408 3.960 -0.001 0.000 0.263 112 G HA3 0.448 4.408 3.960 -0.001 0.000 0.263 112 G C 0.129 175.006 174.900 -0.039 0.000 0.829 112 G CA -0.374 44.702 45.100 -0.039 0.000 1.983 112 G HN 0.653 nan 8.290 nan 0.000 0.616 113 T N -3.033 111.505 114.554 -0.027 0.000 2.883 113 T HA 0.455 4.805 4.350 -0.001 0.000 0.296 113 T C 1.444 176.133 174.700 -0.017 0.000 1.117 113 T CA 0.107 62.195 62.100 -0.021 0.000 1.006 113 T CB 1.504 70.362 68.868 -0.016 0.000 1.191 113 T HN 0.194 nan 8.240 nan 0.000 0.508 114 T N -2.436 112.107 114.554 -0.019 0.000 2.946 114 T HA -0.103 4.247 4.350 -0.001 0.000 0.271 114 T C 1.319 176.014 174.700 -0.008 0.000 1.104 114 T CA 0.986 63.074 62.100 -0.020 0.000 1.114 114 T CB -0.645 68.208 68.868 -0.025 0.000 0.867 114 T HN 0.687 nan 8.240 nan 0.000 0.513 115 c N 0.792 119.392 118.600 -0.000 0.000 3.240 115 c HA 0.691 5.261 4.570 -0.001 0.000 0.271 115 c C 1.998 176.098 174.090 0.017 0.000 1.534 115 c CA -0.260 56.076 56.329 0.011 0.000 1.796 115 c CB -1.064 41.456 42.510 0.017 0.000 2.892 115 c HN 0.920 nan 8.230 nan 0.000 0.566 116 G N 1.661 110.469 108.800 0.014 0.000 2.189 116 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.267 116 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.267 116 G C 0.278 175.204 174.900 0.044 0.000 0.975 116 G CA 0.686 45.802 45.100 0.026 0.000 0.644 116 G HN 0.605 nan 8.290 nan 0.000 0.537 117 S N -0.249 115.474 115.700 0.039 0.000 2.562 117 S HA 0.429 4.899 4.470 -0.001 0.000 0.281 117 S C 0.021 174.666 174.600 0.075 0.000 1.333 117 S CA -0.332 57.905 58.200 0.062 0.000 1.052 117 S CB 0.832 64.058 63.200 0.043 0.000 0.884 117 S HN 0.513 nan 8.310 nan 0.000 0.506 118 Y N 2.623 122.921 120.300 -0.004 0.000 2.301 118 Y HA 0.482 5.031 4.550 -0.001 0.000 0.328 118 Y C 0.200 176.075 175.900 -0.042 0.000 1.242 118 Y CA -0.693 57.392 58.100 -0.025 0.000 1.323 118 Y CB 0.544 38.984 38.460 -0.033 0.000 1.266 118 Y HN 0.872 nan 8.280 nan 0.000 0.527 119 C N 4.725 123.412 119.300 -1.021 0.000 3.241 119 C HA 0.490 4.950 4.460 -0.001 0.000 0.348 119 C C -1.600 172.783 174.990 -1.013 0.000 1.180 119 C CA -1.108 57.448 59.018 -0.769 0.000 1.273 119 C CB 1.402 28.900 27.740 -0.402 0.000 1.620 119 C HN 0.905 nan 8.230 nan 0.000 0.510 120 N N 2.323 120.583 118.700 -0.734 0.000 2.746 120 N HA 0.419 5.158 4.740 -0.001 0.000 0.250 120 N C -2.019 173.175 175.510 -0.526 0.000 1.146 120 N CA -1.635 51.124 53.050 -0.484 0.000 0.828 120 N CB 1.674 40.050 38.487 -0.186 0.000 1.158 120 N HN 0.491 nan 8.380 nan 0.000 0.519 121 P HA -0.082 nan 4.420 nan 0.000 0.215 121 P C 1.322 178.461 177.300 -0.268 0.000 1.157 121 P CA 1.392 64.285 63.100 -0.345 0.000 0.874 121 P CB 0.180 31.780 31.700 -0.166 0.000 0.790 122 G N -0.978 107.699 108.800 -0.205 0.000 2.469 122 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.219 122 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.219 122 G C 1.525 176.322 174.900 -0.173 0.000 1.150 122 G CA 1.037 46.042 45.100 -0.158 0.000 0.763 122 G HN 0.243 nan 8.290 nan 0.000 0.561 123 S N -0.366 115.218 115.700 -0.193 0.000 2.575 123 S HA 0.209 4.679 4.470 -0.001 0.000 0.215 123 S C 0.912 175.370 174.600 -0.236 0.000 0.966 123 S CA -0.119 57.975 58.200 -0.177 0.000 0.911 123 S CB 0.152 63.273 63.200 -0.133 0.000 0.780 123 S HN 0.359 nan 8.310 nan 0.000 0.514 124 R N 1.644 121.940 120.500 -0.340 0.000 3.531 124 R HA -0.131 4.209 4.340 -0.001 0.000 0.280 124 R C -1.088 175.058 176.300 -0.256 0.000 1.130 124 R CA 0.518 56.387 56.100 -0.386 0.000 0.757 124 R CB -2.489 27.588 30.300 -0.370 0.000 1.218 124 R HN 0.525 nan 8.270 nan 0.000 0.454 125 E N 0.224 120.136 120.200 -0.480 0.000 2.109 125 E HA 0.367 4.717 4.350 -0.001 0.000 0.278 125 E C -0.580 175.675 176.600 -0.575 0.000 0.954 125 E CA -0.399 55.810 56.400 -0.317 0.000 0.779 125 E CB 0.682 30.283 29.700 -0.166 0.000 1.093 125 E HN 0.073 nan 8.360 nan 0.000 0.401 126 F N 3.692 123.705 119.950 0.105 0.000 2.710 126 F HA 0.228 4.754 4.527 -0.000 0.000 0.345 126 F C -1.622 174.221 175.800 0.071 0.000 1.362 126 F CA -1.921 56.131 58.000 0.087 0.000 1.175 126 F CB 1.375 40.467 39.000 0.152 0.000 1.561 126 F HN 0.360 nan 8.300 nan 0.000 0.593 127 P HA -0.193 nan 4.420 nan 0.000 0.223 127 P C 1.258 178.621 177.300 0.105 0.000 1.144 127 P CA 1.205 64.388 63.100 0.138 0.000 0.783 127 P CB 0.337 32.115 31.700 0.129 0.000 0.771 128 A N -0.579 122.299 122.820 0.097 0.000 2.167 128 A HA 0.056 4.376 4.320 -0.001 0.000 0.214 128 A C 2.203 179.779 177.584 -0.013 0.000 1.151 128 A CA 0.751 52.814 52.037 0.043 0.000 0.735 128 A CB -0.938 18.080 19.000 0.030 0.000 0.802 128 A HN 0.084 nan 8.150 nan 0.000 0.467 129 V N 0.517 120.399 119.914 -0.053 0.000 2.326 129 V HA 0.044 4.164 4.120 -0.001 0.000 0.238 129 V C -1.384 174.657 176.094 -0.089 0.000 1.038 129 V CA 1.129 63.318 62.300 -0.186 0.000 1.032 129 V CB -1.073 30.390 31.823 -0.600 0.000 0.675 129 V HN 0.488 nan 8.190 nan 0.000 0.467 130 P HA 0.426 nan 4.420 nan 0.000 0.292 130 P C -1.998 175.418 177.300 0.192 0.000 1.300 130 P CA -0.265 62.887 63.100 0.086 0.000 0.900 130 P CB 1.910 33.703 31.700 0.155 0.000 1.139 131 Y N -0.786 119.686 120.300 0.286 0.000 2.536 131 Y HA 0.545 5.094 4.550 -0.001 0.000 0.347 131 Y C 0.570 176.591 175.900 0.202 0.000 1.000 131 Y CA -0.648 57.619 58.100 0.277 0.000 1.051 131 Y CB 2.484 41.105 38.460 0.267 0.000 1.259 131 Y HN 0.321 nan 8.280 nan 0.000 0.468 132 S N -0.257 115.518 115.700 0.126 0.000 2.704 132 S HA 0.636 5.106 4.470 -0.001 0.000 0.296 132 S C 0.763 175.182 174.600 -0.302 0.000 1.138 132 S CA -0.201 57.796 58.200 -0.338 0.000 0.875 132 S CB 1.662 64.186 63.200 -1.125 0.000 1.151 132 S HN 0.820 nan 8.310 nan 0.000 0.500 133 A N 0.772 123.364 122.820 -0.381 0.000 1.915 133 A HA -0.200 4.120 4.320 -0.001 0.000 0.220 133 A C 1.699 179.341 177.584 0.098 0.000 1.198 133 A CA 2.654 54.646 52.037 -0.074 0.000 0.647 133 A CB -1.320 17.610 19.000 -0.117 0.000 0.825 133 A HN 1.008 nan 8.150 nan 0.000 0.456 134 W N -0.131 121.268 121.300 0.164 0.000 2.632 134 W HA 0.071 4.730 4.660 -0.001 0.000 0.248 134 W C 0.146 176.693 176.519 0.045 0.000 1.259 134 W CA 0.628 58.025 57.345 0.087 0.000 1.288 134 W CB -0.575 28.901 29.460 0.027 0.000 1.136 134 W HN 0.241 nan 8.180 nan 0.000 0.640 135 D N -0.272 120.188 120.400 0.099 0.000 2.339 135 D HA 0.087 4.727 4.640 -0.001 0.000 0.217 135 D C -0.297 175.708 176.300 -0.492 0.000 1.050 135 D CA 0.281 54.187 54.000 -0.158 0.000 0.856 135 D CB -0.275 40.323 40.800 -0.336 0.000 0.922 135 D HN 0.098 nan 8.370 nan 0.000 0.518 136 F N 0.192 120.133 119.950 -0.014 0.000 2.541 136 F HA 0.328 4.855 4.527 -0.000 0.000 0.331 136 F C 1.381 177.200 175.800 0.032 0.000 1.057 136 F CA -1.067 56.926 58.000 -0.013 0.000 0.975 136 F CB 0.850 39.846 39.000 -0.006 0.000 1.246 136 F HN -0.371 nan 8.300 nan 0.000 0.484 137 N N 1.015 119.850 118.700 0.226 0.000 2.362 137 N HA -0.022 4.718 4.740 -0.001 0.000 0.211 137 N C 0.722 176.316 175.510 0.142 0.000 1.170 137 N CA 0.270 53.416 53.050 0.159 0.000 0.828 137 N CB -0.318 38.255 38.487 0.143 0.000 1.034 137 N HN 0.581 nan 8.380 nan 0.000 0.475 138 D N 0.479 120.967 120.400 0.146 0.000 2.133 138 D HA -0.167 4.473 4.640 -0.001 0.000 0.192 138 D C 1.788 178.136 176.300 0.080 0.000 1.001 138 D CA 1.428 55.483 54.000 0.093 0.000 0.844 138 D CB -0.099 40.745 40.800 0.073 0.000 0.944 138 D HN 0.352 nan 8.370 nan 0.000 0.447 139 G N 0.779 109.632 108.800 0.089 0.000 2.448 139 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 139 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 139 G C 1.573 176.519 174.900 0.076 0.000 1.135 139 G CA 0.521 45.666 45.100 0.075 0.000 0.784 139 G HN 0.233 nan 8.290 nan 0.000 0.543 140 K N -0.302 120.155 120.400 0.094 0.000 2.097 140 K HA -0.045 4.275 4.320 -0.001 0.000 0.205 140 K C 1.122 177.790 176.600 0.113 0.000 1.050 140 K CA 0.352 56.703 56.287 0.107 0.000 0.938 140 K CB -0.349 32.229 32.500 0.130 0.000 0.718 140 K HN 0.262 nan 8.250 nan 0.000 0.442 141 c N 2.352 121.013 118.600 0.101 0.000 2.653 141 c HA 0.122 4.692 4.570 -0.001 0.000 0.421 141 c C 0.712 174.841 174.090 0.065 0.000 1.334 141 c CA -0.166 56.215 56.329 0.087 0.000 1.885 141 c CB -0.156 42.392 42.510 0.065 0.000 2.645 141 c HN 0.486 nan 8.230 nan 0.000 0.601 142 K N 2.904 123.340 120.400 0.061 0.000 2.374 142 K HA 0.125 4.445 4.320 -0.001 0.000 0.202 142 K C 0.853 177.466 176.600 0.023 0.000 1.040 142 K CA 0.093 56.403 56.287 0.039 0.000 1.085 142 K CB 0.232 32.752 32.500 0.035 0.000 0.873 142 K HN 0.857 nan 8.250 nan 0.000 0.539 143 T N -1.981 112.585 114.554 0.020 0.000 2.868 143 T HA 0.330 4.680 4.350 -0.001 0.000 0.292 143 T C 1.421 176.123 174.700 0.003 0.000 1.028 143 T CA -0.246 61.858 62.100 0.006 0.000 1.059 143 T CB 1.671 70.536 68.868 -0.005 0.000 0.991 143 T HN 0.066 nan 8.240 nan 0.000 0.531 144 A N 1.537 124.356 122.820 -0.002 0.000 1.930 144 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 144 A C 2.635 180.214 177.584 -0.007 0.000 1.175 144 A CA 1.715 53.750 52.037 -0.004 0.000 0.627 144 A CB -1.262 17.735 19.000 -0.005 0.000 0.815 144 A HN 1.122 nan 8.150 nan 0.000 0.443 145 S N -2.118 113.575 115.700 -0.012 0.000 2.395 145 S HA 0.323 4.793 4.470 -0.001 0.000 0.225 145 S C 1.679 176.268 174.600 -0.018 0.000 1.027 145 S CA 1.401 59.590 58.200 -0.018 0.000 0.965 145 S CB -0.361 62.825 63.200 -0.024 0.000 0.812 145 S HN 1.867 nan 8.310 nan 0.000 0.482 146 G N 0.316 109.108 108.800 -0.014 0.000 2.195 146 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.224 146 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.224 146 G C 0.319 175.208 174.900 -0.019 0.000 0.990 146 G CA -0.072 45.023 45.100 -0.008 0.000 0.639 146 G HN 1.117 nan 8.290 nan 0.000 0.514 147 G N -0.647 108.133 108.800 -0.033 0.000 2.552 147 G HA2 0.665 4.625 3.960 -0.001 0.000 0.324 147 G HA3 0.665 4.625 3.960 -0.001 0.000 0.324 147 G C 0.009 174.869 174.900 -0.065 0.000 1.217 147 G CA -1.012 44.056 45.100 -0.053 0.000 0.989 147 G HN 0.594 nan 8.290 nan 0.000 0.490 148 I N 0.682 121.191 120.570 -0.101 0.000 2.517 148 I HA 0.087 4.257 4.170 -0.001 0.000 0.285 148 I C 0.827 176.871 176.117 -0.122 0.000 1.106 148 I CA 0.333 61.535 61.300 -0.164 0.000 1.402 148 I CB 1.031 38.851 38.000 -0.300 0.000 1.399 148 I HN 0.703 nan 8.210 nan 0.000 0.535 149 E N 2.983 123.123 120.200 -0.100 0.000 2.399 149 E HA 0.081 4.431 4.350 -0.001 0.000 0.205 149 E C 0.280 176.867 176.600 -0.021 0.000 0.906 149 E CA 0.112 56.487 56.400 -0.042 0.000 0.998 149 E CB 0.814 30.500 29.700 -0.024 0.000 1.002 149 E HN 0.521 nan 8.360 nan 0.000 0.501 150 S N -0.477 115.184 115.700 -0.065 0.000 2.677 150 S HA 0.249 4.719 4.470 -0.001 0.000 0.283 150 S C -0.730 173.830 174.600 -0.068 0.000 1.159 150 S CA -0.615 57.581 58.200 -0.006 0.000 1.001 150 S CB 0.479 63.689 63.200 0.017 0.000 1.032 150 S HN 0.145 nan 8.310 nan 0.000 0.487 151 Y N 3.339 123.644 120.300 0.008 0.000 2.502 151 Y HA 0.215 4.764 4.550 -0.001 0.000 0.295 151 Y C 1.791 177.688 175.900 -0.005 0.000 1.193 151 Y CA 0.101 58.199 58.100 -0.004 0.000 1.295 151 Y CB 0.140 38.593 38.460 -0.012 0.000 1.059 151 Y HN 0.602 nan 8.280 nan 0.000 0.514 152 N N -0.265 118.500 118.700 0.107 0.000 2.353 152 N HA -0.056 4.683 4.740 -0.001 0.000 0.185 152 N C -0.393 175.153 175.510 0.060 0.000 1.098 152 N CA 0.534 53.630 53.050 0.077 0.000 0.872 152 N CB 0.226 38.752 38.487 0.065 0.000 0.970 152 N HN 0.224 nan 8.380 nan 0.000 0.467 153 D N 0.433 120.858 120.400 0.041 0.000 2.460 153 D HA 0.267 4.907 4.640 -0.001 0.000 0.232 153 D C -1.895 174.423 176.300 0.030 0.000 1.079 153 D CA -2.262 51.778 54.000 0.066 0.000 0.864 153 D CB 1.775 42.610 40.800 0.059 0.000 1.048 153 D HN -0.098 nan 8.370 nan 0.000 0.523 154 P HA -0.129 nan 4.420 nan 0.000 0.218 154 P C 0.767 177.893 177.300 -0.290 0.000 1.148 154 P CA 0.989 63.982 63.100 -0.178 0.000 0.822 154 P CB 0.093 31.671 31.700 -0.203 0.000 0.784 155 Y N 0.524 120.821 120.300 -0.004 0.000 2.200 155 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 155 Y C 2.626 178.549 175.900 0.038 0.000 1.137 155 Y CA 1.521 59.695 58.100 0.124 0.000 1.163 155 Y CB -1.268 37.309 38.460 0.196 0.000 0.988 155 Y HN 0.137 nan 8.280 nan 0.000 0.518 156 Q N -0.790 119.081 119.800 0.118 0.000 2.331 156 Q HA -0.044 4.295 4.340 -0.001 0.000 0.203 156 Q C 2.102 178.060 176.000 -0.070 0.000 0.944 156 Q CA 1.144 56.965 55.803 0.030 0.000 0.892 156 Q CB -0.605 28.134 28.738 0.003 0.000 0.983 156 Q HN 0.358 nan 8.270 nan 0.000 0.482 157 V N 1.108 120.932 119.914 -0.149 0.000 2.548 157 V HA -0.128 3.991 4.120 -0.001 0.000 0.249 157 V C 1.761 177.811 176.094 -0.073 0.000 1.055 157 V CA 1.670 63.859 62.300 -0.186 0.000 1.065 157 V CB -0.130 31.535 31.823 -0.264 0.000 0.681 157 V HN 0.347 nan 8.190 nan 0.000 0.462 158 R N -0.842 119.532 120.500 -0.210 0.000 2.282 158 R HA 0.133 4.473 4.340 -0.001 0.000 0.195 158 R C 1.194 177.484 176.300 -0.017 0.000 0.909 158 R CA 0.788 56.741 56.100 -0.245 0.000 1.039 158 R CB 0.150 29.926 30.300 -0.872 0.000 1.015 158 R HN 0.427 nan 8.270 nan 0.000 0.513 159 D N -0.886 119.553 120.400 0.065 0.000 2.417 159 D HA 0.105 4.745 4.640 -0.001 0.000 0.207 159 D C 0.079 176.442 176.300 0.106 0.000 1.075 159 D CA 0.236 54.331 54.000 0.159 0.000 0.851 159 D CB 0.471 41.421 40.800 0.250 0.000 0.976 159 D HN 0.069 nan 8.370 nan 0.000 0.505 160 c N 0.761 119.394 118.600 0.054 0.000 2.423 160 c HA 0.421 4.991 4.570 -0.001 0.000 0.378 160 c C 0.410 174.500 174.090 -0.000 0.000 1.244 160 c CA -0.946 55.398 56.329 0.026 0.000 1.978 160 c CB 1.423 43.930 42.510 -0.005 0.000 2.252 160 c HN 0.122 nan 8.230 nan 0.000 0.526 161 Q N 1.007 120.795 119.800 -0.019 0.000 2.313 161 Q HA 0.292 4.632 4.340 -0.001 0.000 0.266 161 Q C -0.677 175.252 176.000 -0.118 0.000 0.989 161 Q CA 0.199 55.971 55.803 -0.052 0.000 0.890 161 Q CB 0.638 29.346 28.738 -0.051 0.000 1.200 161 Q HN 0.550 nan 8.270 nan 0.000 0.396 162 L N 4.307 125.420 121.223 -0.184 0.000 2.260 162 L HA 0.115 4.455 4.340 -0.001 0.000 0.289 162 L C 0.359 177.083 176.870 -0.244 0.000 1.057 162 L CA -0.546 54.124 54.840 -0.282 0.000 0.811 162 L CB 0.814 42.591 42.059 -0.471 0.000 1.184 162 L HN 0.766 nan 8.230 nan 0.000 0.429 163 V N 2.756 122.556 119.914 -0.191 0.000 5.257 163 V HA -0.279 3.841 4.120 -0.001 0.000 0.265 163 V C 0.993 176.976 176.094 -0.185 0.000 0.646 163 V CA 1.035 63.223 62.300 -0.187 0.000 0.650 163 V CB -2.578 29.108 31.823 -0.227 0.000 0.424 163 V HN 1.454 nan 8.190 nan 0.000 0.862 164 G N -1.206 107.505 108.800 -0.148 0.000 2.212 164 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.266 164 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.266 164 G C -0.052 174.774 174.900 -0.124 0.000 0.978 164 G CA 0.076 45.102 45.100 -0.123 0.000 0.632 164 G HN 1.403 nan 8.290 nan 0.000 0.537 165 L N 1.050 122.167 121.223 -0.178 0.000 2.499 165 L HA 0.322 4.662 4.340 -0.001 0.000 0.273 165 L C 1.377 178.212 176.870 -0.058 0.000 1.195 165 L CA -0.104 54.622 54.840 -0.190 0.000 0.882 165 L CB 0.334 42.087 42.059 -0.510 0.000 1.133 165 L HN 0.211 nan 8.230 nan 0.000 0.483 166 L N 3.493 124.724 121.223 0.014 0.000 2.562 166 L HA -0.023 4.316 4.340 -0.001 0.000 0.271 166 L C 0.399 177.432 176.870 0.270 0.000 1.167 166 L CA 0.054 54.935 54.840 0.069 0.000 0.917 166 L CB -0.018 41.999 42.059 -0.069 0.000 1.187 166 L HN 0.566 nan 8.230 nan 0.000 0.482 167 D N 3.245 123.797 120.400 0.254 0.000 2.312 167 D HA 0.290 4.929 4.640 -0.001 0.000 0.252 167 D C -0.414 176.044 176.300 0.263 0.000 1.150 167 D CA -0.432 53.711 54.000 0.240 0.000 0.870 167 D CB 0.935 41.825 40.800 0.149 0.000 1.153 167 D HN 0.110 nan 8.370 nan 0.000 0.457 168 L N 2.862 124.133 121.223 0.080 0.000 2.397 168 L HA 0.383 4.723 4.340 -0.001 0.000 0.271 168 L C 0.317 177.111 176.870 -0.126 0.000 1.148 168 L CA -0.223 54.483 54.840 -0.224 0.000 0.825 168 L CB 0.930 42.822 42.059 -0.279 0.000 1.117 168 L HN 0.566 nan 8.230 nan 0.000 0.456 169 A N 5.142 127.836 122.820 -0.211 0.000 2.922 169 A HA 0.294 4.613 4.320 -0.001 0.000 0.298 169 A C 0.950 178.511 177.584 -0.037 0.000 1.588 169 A CA -0.238 51.764 52.037 -0.059 0.000 1.288 169 A CB -0.842 18.137 19.000 -0.036 0.000 1.130 169 A HN 0.786 nan 8.150 nan 0.000 0.557 170 L N 0.963 122.192 121.223 0.010 0.000 2.622 170 L HA -0.071 4.268 4.340 -0.001 0.000 0.233 170 L C 2.482 179.376 176.870 0.040 0.000 1.156 170 L CA 0.903 55.759 54.840 0.027 0.000 0.866 170 L CB 0.001 42.095 42.059 0.059 0.000 0.980 170 L HN 0.825 nan 8.230 nan 0.000 0.448 171 E N 0.365 120.587 120.200 0.036 0.000 2.371 171 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 171 E C 0.206 176.817 176.600 0.018 0.000 1.012 171 E CA 0.234 56.640 56.400 0.009 0.000 0.860 171 E CB 0.034 29.724 29.700 -0.017 0.000 0.811 171 E HN 0.355 nan 8.360 nan 0.000 0.502 172 K N 1.751 122.174 120.400 0.038 0.000 2.297 172 K HA 0.034 4.353 4.320 -0.001 0.000 0.286 172 K C 0.222 176.872 176.600 0.084 0.000 1.053 172 K CA 0.018 56.346 56.287 0.070 0.000 0.940 172 K CB 1.189 33.754 32.500 0.109 0.000 1.019 172 K HN -0.121 nan 8.250 nan 0.000 0.475 173 D N 2.102 122.551 120.400 0.081 0.000 2.182 173 D HA -0.243 4.397 4.640 -0.001 0.000 0.201 173 D C 1.393 177.752 176.300 0.098 0.000 0.986 173 D CA 1.408 55.449 54.000 0.068 0.000 0.847 173 D CB 0.059 40.895 40.800 0.059 0.000 0.942 173 D HN 0.638 nan 8.370 nan 0.000 0.467 174 Y N 0.081 120.408 120.300 0.045 0.000 2.181 174 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 174 Y C 2.066 178.034 175.900 0.113 0.000 1.146 174 Y CA 1.467 59.616 58.100 0.082 0.000 1.164 174 Y CB -0.206 38.322 38.460 0.114 0.000 0.982 174 Y HN -0.080 nan 8.280 nan 0.000 0.515 175 V N 0.115 120.145 119.914 0.193 0.000 2.591 175 V HA -0.183 3.936 4.120 -0.001 0.000 0.249 175 V C 2.323 178.426 176.094 0.014 0.000 1.053 175 V CA 1.897 64.266 62.300 0.116 0.000 1.068 175 V CB -0.556 31.279 31.823 0.020 0.000 0.689 175 V HN 0.228 nan 8.190 nan 0.000 0.462 176 R N 0.205 120.704 120.500 -0.002 0.000 2.075 176 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 176 R C 2.574 178.826 176.300 -0.080 0.000 1.126 176 R CA 1.698 57.777 56.100 -0.034 0.000 0.963 176 R CB -0.359 29.933 30.300 -0.014 0.000 0.858 176 R HN 0.451 nan 8.270 nan 0.000 0.435 177 S N 0.113 115.758 115.700 -0.092 0.000 2.406 177 S HA -0.122 4.347 4.470 -0.001 0.000 0.228 177 S C 1.663 176.151 174.600 -0.187 0.000 1.020 177 S CA 1.015 59.140 58.200 -0.125 0.000 0.965 177 S CB -0.091 63.048 63.200 -0.100 0.000 0.798 177 S HN 0.179 nan 8.310 nan 0.000 0.488 178 M N 1.788 121.244 119.600 -0.241 0.000 2.099 178 M HA 0.088 4.568 4.480 -0.001 0.000 0.262 178 M C 1.692 177.800 176.300 -0.320 0.000 1.067 178 M CA 1.497 56.629 55.300 -0.281 0.000 1.124 178 M CB -0.506 31.924 32.600 -0.284 0.000 1.353 178 M HN 0.227 nan 8.290 nan 0.000 0.410 179 I N -0.195 120.221 120.570 -0.256 0.000 2.226 179 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 179 I C 2.288 178.230 176.117 -0.293 0.000 1.100 179 I CA 1.227 62.323 61.300 -0.340 0.000 1.374 179 I CB -0.738 37.165 38.000 -0.163 0.000 1.057 179 I HN 0.375 nan 8.210 nan 0.000 0.413 180 A N 0.119 122.800 122.820 -0.231 0.000 2.067 180 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 180 A C 1.832 179.271 177.584 -0.242 0.000 1.158 180 A CA 1.693 53.592 52.037 -0.231 0.000 0.661 180 A CB -0.436 18.457 19.000 -0.178 0.000 0.801 180 A HN 0.317 nan 8.150 nan 0.000 0.452 181 D N -1.710 118.558 120.400 -0.220 0.000 2.149 181 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 181 D C 1.596 177.807 176.300 -0.150 0.000 0.972 181 D CA 1.248 55.141 54.000 -0.178 0.000 0.835 181 D CB -0.387 40.323 40.800 -0.150 0.000 0.966 181 D HN 0.693 nan 8.370 nan 0.000 0.476 182 Y N 1.250 121.322 120.300 -0.379 0.000 2.114 182 Y HA -0.191 4.358 4.550 -0.000 0.000 0.284 182 Y C 2.123 177.878 175.900 -0.241 0.000 1.143 182 Y CA 1.256 59.138 58.100 -0.363 0.000 1.135 182 Y CB -0.183 37.855 38.460 -0.702 0.000 0.980 182 Y HN -0.117 nan 8.280 nan 0.000 0.499 183 L N 0.568 121.509 121.223 -0.470 0.000 2.012 183 L HA -0.294 4.046 4.340 -0.001 0.000 0.210 183 L C 2.149 178.882 176.870 -0.228 0.000 1.073 183 L CA 1.493 56.010 54.840 -0.538 0.000 0.748 183 L CB -0.829 40.833 42.059 -0.661 0.000 0.891 183 L HN 0.333 nan 8.230 nan 0.000 0.431 184 N N 0.274 118.825 118.700 -0.249 0.000 2.289 184 N HA -0.201 4.539 4.740 -0.001 0.000 0.184 184 N C 1.747 177.192 175.510 -0.108 0.000 1.016 184 N CA 1.109 54.016 53.050 -0.239 0.000 0.872 184 N CB -0.167 38.013 38.487 -0.513 0.000 0.973 184 N HN 0.372 nan 8.380 nan 0.000 0.433 185 K N 0.483 120.824 120.400 -0.098 0.000 2.057 185 K HA -0.044 4.276 4.320 -0.001 0.000 0.206 185 K C 1.599 178.200 176.600 0.003 0.000 1.050 185 K CA 0.666 56.939 56.287 -0.023 0.000 0.935 185 K CB 0.085 32.581 32.500 -0.006 0.000 0.715 185 K HN -0.055 nan 8.250 nan 0.000 0.439 186 L N 1.405 122.598 121.223 -0.049 0.000 2.056 186 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 186 L C 2.287 179.184 176.870 0.046 0.000 1.078 186 L CA 1.477 56.328 54.840 0.018 0.000 0.749 186 L CB -0.920 41.132 42.059 -0.012 0.000 0.901 186 L HN 0.287 nan 8.230 nan 0.000 0.433 187 I N -0.045 120.556 120.570 0.052 0.000 2.226 187 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 187 I C 2.059 178.221 176.117 0.075 0.000 1.100 187 I CA 1.214 62.531 61.300 0.029 0.000 1.374 187 I CB -0.324 37.709 38.000 0.056 0.000 1.057 187 I HN 0.231 nan 8.210 nan 0.000 0.413 188 D N 0.935 121.397 120.400 0.103 0.000 2.144 188 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 188 D C 2.177 178.578 176.300 0.168 0.000 0.984 188 D CA 1.235 55.321 54.000 0.144 0.000 0.834 188 D CB -0.203 40.677 40.800 0.134 0.000 0.955 188 D HN 0.353 nan 8.370 nan 0.000 0.465 189 I N -0.582 120.074 120.570 0.143 0.000 2.493 189 I HA -0.075 4.094 4.170 -0.001 0.000 0.254 189 I C 1.734 177.933 176.117 0.137 0.000 1.160 189 I CA 1.261 62.653 61.300 0.154 0.000 1.445 189 I CB 0.078 38.178 38.000 0.167 0.000 1.086 189 I HN 0.197 nan 8.210 nan 0.000 0.433 190 G N -0.218 108.643 108.800 0.103 0.000 2.425 190 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.177 190 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.177 190 G C 0.250 175.083 174.900 -0.112 0.000 0.999 190 G CA -0.341 44.773 45.100 0.022 0.000 0.723 190 G HN 0.026 nan 8.290 nan 0.000 0.491 191 V N 1.437 121.249 119.914 -0.170 0.000 2.814 191 V HA 0.343 4.463 4.120 -0.001 0.000 0.307 191 V C 1.760 177.601 176.094 -0.421 0.000 1.089 191 V CA 1.415 63.520 62.300 -0.325 0.000 1.212 191 V CB 1.380 32.993 31.823 -0.350 0.000 0.912 191 V HN 0.860 nan 8.190 nan 0.000 0.497 192 A N 3.099 125.593 122.820 -0.545 0.000 2.115 192 A HA 0.641 4.960 4.320 -0.001 0.000 0.211 192 A C 0.968 178.310 177.584 -0.403 0.000 1.169 192 A CA 0.897 52.594 52.037 -0.567 0.000 0.787 192 A CB 0.085 18.796 19.000 -0.482 0.000 0.858 192 A HN 1.310 nan 8.150 nan 0.000 0.474 193 G N -2.123 106.385 108.800 -0.487 0.000 2.341 193 G HA2 0.498 4.458 3.960 -0.001 0.000 0.299 193 G HA3 0.498 4.458 3.960 -0.001 0.000 0.299 193 G C -1.532 173.031 174.900 -0.561 0.000 1.274 193 G CA -0.646 44.340 45.100 -0.190 0.000 0.853 193 G HN 0.230 nan 8.290 nan 0.000 0.493 194 F N -0.813 119.144 119.950 0.012 0.000 2.645 194 F HA 0.729 5.255 4.527 -0.000 0.000 0.310 194 F C 0.093 175.444 175.800 -0.748 0.000 1.102 194 F CA -0.903 56.970 58.000 -0.212 0.000 0.952 194 F CB 2.425 41.304 39.000 -0.201 0.000 1.326 194 F HN 0.482 nan 8.300 nan 0.000 0.456 195 R N 2.263 122.376 120.500 -0.645 0.000 2.295 195 R HA 0.554 4.894 4.340 -0.001 0.000 0.324 195 R C -1.384 174.687 176.300 -0.382 0.000 0.968 195 R CA -0.581 54.839 56.100 -1.133 0.000 0.837 195 R CB 0.744 30.543 30.300 -0.836 0.000 1.133 195 R HN 0.557 nan 8.270 nan 0.000 0.450 196 I N 4.327 124.715 120.570 -0.303 0.000 2.281 196 I HA 0.062 4.231 4.170 -0.001 0.000 0.293 196 I C 0.267 176.353 176.117 -0.052 0.000 1.085 196 I CA -0.534 60.687 61.300 -0.132 0.000 1.257 196 I CB 0.243 38.176 38.000 -0.113 0.000 1.430 196 I HN 0.678 nan 8.210 nan 0.000 0.489 197 D N 5.695 126.112 120.400 0.029 0.000 2.472 197 D HA 0.253 4.893 4.640 -0.001 0.000 0.237 197 D C 0.912 177.276 176.300 0.106 0.000 1.141 197 D CA 0.323 54.395 54.000 0.121 0.000 0.875 197 D CB 0.775 41.727 40.800 0.253 0.000 1.192 197 D HN 0.798 nan 8.370 nan 0.000 0.450 198 A N 2.927 125.833 122.820 0.144 0.000 2.466 198 A HA -0.223 4.096 4.320 -0.001 0.000 0.295 198 A C 1.643 179.284 177.584 0.096 0.000 1.465 198 A CA 1.087 53.243 52.037 0.199 0.000 0.744 198 A CB -1.926 17.274 19.000 0.333 0.000 1.098 198 A HN 0.459 nan 8.150 nan 0.000 0.402 199 S N -0.541 115.130 115.700 -0.048 0.000 2.428 199 S HA -0.094 4.375 4.470 -0.001 0.000 0.230 199 S C 1.869 176.309 174.600 -0.265 0.000 1.014 199 S CA 1.248 59.350 58.200 -0.164 0.000 0.957 199 S CB -0.068 62.937 63.200 -0.325 0.000 0.784 199 S HN 0.865 nan 8.310 nan 0.000 0.499 200 K N 0.905 121.104 120.400 -0.335 0.000 2.147 200 K HA -0.145 4.175 4.320 -0.001 0.000 0.205 200 K C 0.926 177.335 176.600 -0.319 0.000 1.049 200 K CA 1.371 57.452 56.287 -0.344 0.000 0.936 200 K CB -0.162 32.087 32.500 -0.418 0.000 0.722 200 K HN 0.465 nan 8.250 nan 0.000 0.446 201 H N -0.520 118.534 119.070 -0.026 0.000 2.547 201 H HA 0.186 4.742 4.556 -0.000 0.000 0.274 201 H C -0.168 175.117 175.328 -0.071 0.000 1.024 201 H CA 0.133 56.154 56.048 -0.045 0.000 1.155 201 H CB 0.075 29.851 29.762 0.024 0.000 1.344 201 H HN 0.071 nan 8.280 nan 0.000 0.598 202 M N -0.721 118.882 119.600 0.005 0.000 2.572 202 M HA 0.220 4.700 4.480 -0.001 0.000 0.299 202 M C -1.187 175.121 176.300 0.012 0.000 1.205 202 M CA -0.878 54.442 55.300 0.034 0.000 0.876 202 M CB 2.283 34.950 32.600 0.111 0.000 1.728 202 M HN 0.106 nan 8.290 nan 0.000 0.458 203 W N 1.680 123.012 121.300 0.054 0.000 2.238 203 W HA 0.267 4.926 4.660 -0.001 0.000 0.321 203 W C -1.825 174.684 176.519 -0.017 0.000 1.293 203 W CA -0.936 56.398 57.345 -0.018 0.000 1.204 203 W CB -0.181 29.242 29.460 -0.062 0.000 1.167 203 W HN 0.467 nan 8.180 nan 0.000 0.553 204 P HA -0.207 nan 4.420 nan 0.000 0.216 204 P C 1.735 179.069 177.300 0.058 0.000 1.150 204 P CA 2.509 65.568 63.100 -0.068 0.000 0.843 204 P CB 0.098 31.588 31.700 -0.351 0.000 0.787 205 G N -0.397 108.454 108.800 0.084 0.000 2.422 205 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 205 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 205 G C 1.225 176.159 174.900 0.056 0.000 1.146 205 G CA 0.922 46.050 45.100 0.048 0.000 0.769 205 G HN 0.188 nan 8.290 nan 0.000 0.547 206 D N 0.587 121.052 120.400 0.107 0.000 2.149 206 D HA -0.054 4.586 4.640 -0.001 0.000 0.201 206 D C 2.638 178.977 176.300 0.064 0.000 0.972 206 D CA 0.193 54.243 54.000 0.082 0.000 0.835 206 D CB -0.089 40.790 40.800 0.131 0.000 0.966 206 D HN 0.193 nan 8.370 nan 0.000 0.476 207 I N 0.984 121.609 120.570 0.092 0.000 2.163 207 I HA -0.261 3.909 4.170 -0.001 0.000 0.243 207 I C 2.299 178.434 176.117 0.030 0.000 1.085 207 I CA 1.080 62.419 61.300 0.064 0.000 1.347 207 I CB -0.863 37.208 38.000 0.117 0.000 1.044 207 I HN -0.021 nan 8.210 nan 0.000 0.408 208 K N 1.607 122.031 120.400 0.041 0.000 2.032 208 K HA -0.128 4.192 4.320 -0.001 0.000 0.209 208 K C 2.165 178.768 176.600 0.005 0.000 1.048 208 K CA 1.892 58.193 56.287 0.023 0.000 0.927 208 K CB -0.632 31.885 32.500 0.029 0.000 0.712 208 K HN 0.277 nan 8.250 nan 0.000 0.441 209 A N -0.061 122.763 122.820 0.006 0.000 1.917 209 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 209 A C 2.356 179.926 177.584 -0.022 0.000 1.182 209 A CA 2.171 54.204 52.037 -0.005 0.000 0.633 209 A CB -0.871 18.128 19.000 -0.002 0.000 0.819 209 A HN 0.137 nan 8.150 nan 0.000 0.448 210 V N -0.557 119.337 119.914 -0.033 0.000 2.270 210 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 210 V C 2.446 178.491 176.094 -0.082 0.000 1.043 210 V CA 1.748 64.007 62.300 -0.069 0.000 1.014 210 V CB -0.845 30.924 31.823 -0.089 0.000 0.645 210 V HN 0.470 nan 8.190 nan 0.000 0.447 211 L N 0.610 121.790 121.223 -0.070 0.000 2.051 211 L HA -0.241 4.099 4.340 -0.001 0.000 0.214 211 L C 2.018 178.863 176.870 -0.041 0.000 1.076 211 L CA 1.979 56.780 54.840 -0.065 0.000 0.758 211 L CB -1.153 40.881 42.059 -0.042 0.000 0.890 211 L HN 0.411 nan 8.230 nan 0.000 0.433 212 D N -0.943 119.443 120.400 -0.025 0.000 2.378 212 D HA -0.111 4.528 4.640 -0.001 0.000 0.227 212 D C 1.781 178.076 176.300 -0.008 0.000 1.012 212 D CA 0.597 54.592 54.000 -0.008 0.000 0.905 212 D CB 0.015 40.816 40.800 0.001 0.000 0.895 212 D HN 0.395 nan 8.370 nan 0.000 0.532 213 K N -0.166 120.215 120.400 -0.032 0.000 2.353 213 K HA 0.182 4.502 4.320 -0.001 0.000 0.195 213 K C 0.625 177.194 176.600 -0.052 0.000 1.031 213 K CA -0.124 56.141 56.287 -0.037 0.000 1.079 213 K CB 0.796 33.255 32.500 -0.069 0.000 0.857 213 K HN 0.056 nan 8.250 nan 0.000 0.535 214 L N 1.819 123.010 121.223 -0.054 0.000 2.416 214 L HA 0.101 4.441 4.340 -0.001 0.000 0.272 214 L C 0.554 177.464 176.870 0.067 0.000 1.161 214 L CA -0.092 54.714 54.840 -0.057 0.000 0.845 214 L CB 0.234 42.270 42.059 -0.039 0.000 1.119 214 L HN 0.213 nan 8.230 nan 0.000 0.464 215 H N 1.510 120.573 119.070 -0.011 0.000 2.597 215 H HA 0.159 4.715 4.556 -0.000 0.000 0.370 215 H C -0.074 175.248 175.328 -0.010 0.000 1.281 215 H CA -1.043 55.001 56.048 -0.007 0.000 1.422 215 H CB 0.764 30.525 29.762 -0.002 0.000 1.524 215 H HN 0.553 nan 8.280 nan 0.000 0.607 216 N N 0.592 119.363 118.700 0.119 0.000 2.424 216 N HA 0.076 4.815 4.740 -0.001 0.000 0.257 216 N C -0.055 175.467 175.510 0.020 0.000 1.250 216 N CA -0.300 52.775 53.050 0.041 0.000 0.946 216 N CB 0.688 39.189 38.487 0.024 0.000 1.175 216 N HN 0.306 nan 8.380 nan 0.000 0.477 217 L N 1.016 122.198 121.223 -0.069 0.000 2.482 217 L HA 0.028 4.368 4.340 -0.001 0.000 0.273 217 L C 1.270 178.172 176.870 0.054 0.000 1.228 217 L CA -0.248 54.487 54.840 -0.175 0.000 0.827 217 L CB 0.077 41.745 42.059 -0.650 0.000 1.099 217 L HN 0.469 nan 8.230 nan 0.000 0.494 218 N N 0.996 119.810 118.700 0.191 0.000 2.411 218 N HA -0.068 4.672 4.740 -0.001 0.000 0.261 218 N C 0.880 176.611 175.510 0.367 0.000 1.248 218 N CA 0.297 53.542 53.050 0.324 0.000 0.885 218 N CB 1.090 39.896 38.487 0.531 0.000 1.062 218 N HN 0.675 nan 8.380 nan 0.000 0.471 219 T N 0.076 114.717 114.554 0.146 0.000 3.160 219 T HA 0.057 4.406 4.350 -0.001 0.000 0.257 219 T C 1.039 175.694 174.700 -0.075 0.000 1.147 219 T CA 0.277 62.420 62.100 0.072 0.000 1.064 219 T CB 0.012 68.888 68.868 0.013 0.000 0.949 219 T HN 0.401 nan 8.240 nan 0.000 0.526 220 N N 0.102 118.653 118.700 -0.248 0.000 2.494 220 N HA 0.041 4.781 4.740 -0.001 0.000 0.182 220 N C 0.492 175.523 175.510 -0.798 0.000 1.076 220 N CA 0.667 53.315 53.050 -0.670 0.000 0.908 220 N CB 0.056 37.818 38.487 -1.208 0.000 0.967 220 N HN 0.653 nan 8.380 nan 0.000 0.449 221 W N -1.002 120.238 121.300 -0.099 0.000 2.340 221 W HA 0.276 4.935 4.660 -0.001 0.000 0.250 221 W C -0.346 175.817 176.519 -0.593 0.000 0.952 221 W CA -0.201 56.914 57.345 -0.383 0.000 1.219 221 W CB 0.193 29.297 29.460 -0.594 0.000 0.921 221 W HN -0.193 nan 8.180 nan 0.000 0.603 222 F N 1.887 121.938 119.950 0.168 0.000 2.579 222 F HA 0.568 5.094 4.527 -0.001 0.000 0.324 222 F C -1.868 173.956 175.800 0.041 0.000 1.058 222 F CA -2.579 55.475 58.000 0.091 0.000 0.944 222 F CB 0.452 39.503 39.000 0.085 0.000 1.245 222 F HN -0.454 nan 8.300 nan 0.000 0.477 223 P HA 0.224 nan 4.420 nan 0.000 0.276 223 P C 0.140 177.499 177.300 0.099 0.000 1.252 223 P CA 0.037 63.204 63.100 0.112 0.000 0.802 223 P CB 1.035 32.782 31.700 0.079 0.000 1.035 224 A N 2.891 125.745 122.820 0.057 0.000 2.589 224 A HA -0.236 4.083 4.320 -0.001 0.000 0.253 224 A C 1.567 179.175 177.584 0.041 0.000 2.009 224 A CA 2.374 54.434 52.037 0.039 0.000 1.041 224 A CB -2.223 16.792 19.000 0.024 0.000 0.525 224 A HN 0.716 nan 8.150 nan 0.000 0.450 225 G N -0.513 108.308 108.800 0.034 0.000 3.506 225 G HA2 0.461 4.420 3.960 -0.001 0.000 0.268 225 G HA3 0.461 4.420 3.960 -0.001 0.000 0.268 225 G C -0.163 174.757 174.900 0.033 0.000 0.959 225 G CA 0.535 45.653 45.100 0.029 0.000 1.823 225 G HN 0.481 nan 8.290 nan 0.000 0.615 226 S N 1.006 116.726 115.700 0.033 0.000 2.489 226 S HA 0.445 4.915 4.470 -0.001 0.000 0.277 226 S C 0.226 174.814 174.600 -0.019 0.000 1.230 226 S CA -0.634 57.575 58.200 0.015 0.000 1.053 226 S CB 1.190 64.402 63.200 0.020 0.000 0.955 226 S HN 0.392 nan 8.310 nan 0.000 0.488 227 R N 3.979 124.477 120.500 -0.004 0.000 2.297 227 R HA 0.425 4.764 4.340 -0.001 0.000 0.308 227 R C -2.466 173.830 176.300 -0.006 0.000 1.029 227 R CA -2.592 53.510 56.100 0.003 0.000 0.929 227 R CB -0.057 30.257 30.300 0.024 0.000 1.046 227 R HN 0.381 nan 8.270 nan 0.000 0.461 228 P HA -0.029 nan 4.420 nan 0.000 0.268 228 P C -0.340 177.052 177.300 0.152 0.000 1.205 228 P CA -0.033 63.082 63.100 0.025 0.000 0.771 228 P CB 0.449 32.200 31.700 0.086 0.000 0.858 229 F N 3.882 123.852 119.950 0.033 0.000 2.538 229 F HA 0.204 4.731 4.527 -0.000 0.000 0.371 229 F C 0.024 175.928 175.800 0.174 0.000 1.087 229 F CA -0.363 57.702 58.000 0.108 0.000 1.250 229 F CB 0.310 39.459 39.000 0.249 0.000 1.110 229 F HN 0.107 nan 8.300 nan 0.000 0.570 230 I N 8.439 128.899 120.570 -0.183 0.000 2.466 230 I HA 0.269 4.439 4.170 -0.001 0.000 0.289 230 I C -0.983 174.923 176.117 -0.352 0.000 1.026 230 I CA -0.658 60.491 61.300 -0.251 0.000 1.078 230 I CB 1.444 39.371 38.000 -0.120 0.000 1.249 230 I HN 0.538 nan 8.210 nan 0.000 0.429 231 F N 3.716 123.373 119.950 -0.489 0.000 2.612 231 F HA 0.607 5.134 4.527 -0.000 0.000 0.332 231 F C -0.469 175.243 175.800 -0.146 0.000 1.167 231 F CA -0.896 56.900 58.000 -0.340 0.000 0.970 231 F CB 0.885 39.621 39.000 -0.439 0.000 1.234 231 F HN 0.367 nan 8.300 nan 0.000 0.453 232 Q N 2.788 122.588 119.800 -0.000 0.000 2.286 232 Q HA 0.163 4.502 4.340 -0.001 0.000 0.257 232 Q C -0.352 175.656 176.000 0.012 0.000 0.941 232 Q CA -0.507 55.266 55.803 -0.050 0.000 0.912 232 Q CB 1.769 30.480 28.738 -0.045 0.000 1.192 232 Q HN 0.666 nan 8.270 nan 0.000 0.410 233 E N 3.192 123.393 120.200 0.000 0.000 1.996 233 E HA 0.193 4.543 4.350 -0.001 0.000 0.280 233 E C -1.444 175.200 176.600 0.072 0.000 1.092 233 E CA -0.273 56.204 56.400 0.128 0.000 0.862 233 E CB 0.573 30.362 29.700 0.149 0.000 1.066 233 E HN 0.339 nan 8.360 nan 0.000 0.396 234 V N 7.067 127.064 119.914 0.138 0.000 2.443 234 V HA 0.313 4.433 4.120 -0.001 0.000 0.293 234 V C 0.131 176.326 176.094 0.169 0.000 1.021 234 V CA -0.693 61.603 62.300 -0.007 0.000 0.848 234 V CB 1.613 33.312 31.823 -0.206 0.000 0.998 234 V HN 0.585 nan 8.190 nan 0.000 0.424 235 I N 4.253 124.779 120.570 -0.072 0.000 2.281 235 I HA 0.331 4.500 4.170 -0.001 0.000 0.293 235 I C -0.406 175.651 176.117 -0.100 0.000 1.085 235 I CA 0.234 61.375 61.300 -0.264 0.000 1.257 235 I CB 0.525 38.185 38.000 -0.567 0.000 1.430 235 I HN 0.580 nan 8.210 nan 0.000 0.489 236 D N 7.307 127.735 120.400 0.046 0.000 2.389 236 D HA 0.234 4.874 4.640 -0.001 0.000 0.256 236 D C 0.009 176.355 176.300 0.076 0.000 1.239 236 D CA -0.396 53.630 54.000 0.042 0.000 0.925 236 D CB 1.134 41.975 40.800 0.068 0.000 1.145 236 D HN 0.190 nan 8.370 nan 0.000 0.542 237 L N 2.627 123.873 121.223 0.039 0.000 2.700 237 L HA 0.521 4.860 4.340 -0.001 0.000 0.234 237 L C 1.237 178.141 176.870 0.057 0.000 1.156 237 L CA 0.434 55.312 54.840 0.064 0.000 0.946 237 L CB -0.891 41.198 42.059 0.050 0.000 1.216 237 L HN 0.714 nan 8.230 nan 0.000 0.493 238 G N -0.854 107.973 108.800 0.044 0.000 2.661 238 G HA2 0.205 4.165 3.960 -0.001 0.000 0.685 238 G HA3 0.205 4.165 3.960 -0.001 0.000 0.685 238 G C 0.387 175.301 174.900 0.023 0.000 1.298 238 G CA -0.254 44.870 45.100 0.040 0.000 0.855 238 G HN 0.622 nan 8.290 nan 0.000 0.560 239 G N -0.485 108.328 108.800 0.023 0.000 2.363 239 G HA2 0.280 4.240 3.960 -0.001 0.000 0.286 239 G HA3 0.280 4.240 3.960 -0.001 0.000 0.286 239 G C 0.053 174.963 174.900 0.017 0.000 0.975 239 G CA 2.012 47.123 45.100 0.018 0.000 1.309 239 G HN 1.679 nan 8.290 nan 0.000 0.491 240 E N -1.197 119.018 120.200 0.024 0.000 2.389 240 E HA 0.540 4.890 4.350 -0.001 0.000 0.281 240 E C 0.968 177.590 176.600 0.036 0.000 1.072 240 E CA -0.197 56.224 56.400 0.034 0.000 0.845 240 E CB 0.387 30.099 29.700 0.020 0.000 1.239 240 E HN 0.763 nan 8.360 nan 0.000 0.434 241 A N 2.528 125.375 122.820 0.046 0.000 1.898 241 A HA 0.034 4.354 4.320 -0.001 0.000 0.216 241 A C 0.835 178.427 177.584 0.014 0.000 1.181 241 A CA 0.892 52.949 52.037 0.032 0.000 0.620 241 A CB -0.229 18.793 19.000 0.036 0.000 0.819 241 A HN 0.385 nan 8.150 nan 0.000 0.442 242 I N 0.482 121.060 120.570 0.014 0.000 2.441 242 I HA 0.254 4.423 4.170 -0.001 0.000 0.287 242 I C -0.133 176.004 176.117 0.033 0.000 1.049 242 I CA 0.351 61.658 61.300 0.011 0.000 1.381 242 I CB 1.198 39.209 38.000 0.018 0.000 1.409 242 I HN 0.037 nan 8.210 nan 0.000 0.523 243 K N 3.458 123.875 120.400 0.027 0.000 2.270 243 K HA 0.318 4.638 4.320 -0.001 0.000 0.255 243 K C 0.974 177.599 176.600 0.041 0.000 0.936 243 K CA -0.327 55.969 56.287 0.015 0.000 0.809 243 K CB 1.597 34.079 32.500 -0.030 0.000 1.131 243 K HN 0.584 nan 8.250 nan 0.000 0.427 244 S N 0.320 116.049 115.700 0.049 0.000 2.419 244 S HA -0.221 4.249 4.470 -0.001 0.000 0.235 244 S C 1.674 176.113 174.600 -0.269 0.000 1.019 244 S CA 1.562 59.810 58.200 0.080 0.000 0.982 244 S CB -0.510 62.768 63.200 0.131 0.000 0.789 244 S HN 0.617 nan 8.310 nan 0.000 0.490 245 S N 1.890 117.242 115.700 -0.580 0.000 2.465 245 S HA -0.115 4.355 4.470 -0.001 0.000 0.241 245 S C 1.486 175.604 174.600 -0.803 0.000 1.000 245 S CA 1.000 58.391 58.200 -1.348 0.000 0.964 245 S CB -0.643 62.226 63.200 -0.551 0.000 0.763 245 S HN 0.737 nan 8.310 nan 0.000 0.512 246 E N -0.089 119.874 120.200 -0.396 0.000 2.347 246 E HA -0.041 4.309 4.350 -0.001 0.000 0.196 246 E C 0.407 176.733 176.600 -0.458 0.000 1.008 246 E CA 0.817 56.991 56.400 -0.378 0.000 0.852 246 E CB -0.187 29.259 29.700 -0.422 0.000 0.783 246 E HN 0.819 nan 8.360 nan 0.000 0.505 247 Y N -1.521 118.678 120.300 -0.169 0.000 2.555 247 Y HA 0.122 4.671 4.550 -0.001 0.000 0.259 247 Y C 1.036 177.055 175.900 0.199 0.000 1.179 247 Y CA -0.521 57.586 58.100 0.012 0.000 1.230 247 Y CB 0.330 38.810 38.460 0.034 0.000 1.146 247 Y HN -0.003 nan 8.280 nan 0.000 0.526 248 F N -0.108 119.970 119.950 0.213 0.000 2.293 248 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 248 F C 2.295 178.262 175.800 0.279 0.000 1.086 248 F CA 0.915 59.057 58.000 0.237 0.000 1.375 248 F CB -1.161 37.941 39.000 0.171 0.000 1.045 248 F HN 0.127 nan 8.300 nan 0.000 0.516 249 G N -0.438 108.583 108.800 0.368 0.000 2.509 249 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 249 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 249 G C 1.474 176.508 174.900 0.222 0.000 1.124 249 G CA 0.514 45.786 45.100 0.287 0.000 0.776 249 G HN 0.281 nan 8.290 nan 0.000 0.547 250 N N 0.349 119.159 118.700 0.183 0.000 2.356 250 N HA 0.229 4.969 4.740 -0.001 0.000 0.178 250 N C 1.080 176.544 175.510 -0.077 0.000 1.075 250 N CA 0.945 54.034 53.050 0.065 0.000 0.889 250 N CB 1.289 39.835 38.487 0.097 0.000 0.999 250 N HN 0.436 nan 8.380 nan 0.000 0.464 251 G N 0.038 108.792 108.800 -0.075 0.000 2.350 251 G HA2 0.105 4.064 3.960 -0.001 0.000 0.276 251 G HA3 0.105 4.064 3.960 -0.001 0.000 0.276 251 G C -1.380 173.589 174.900 0.116 0.000 1.313 251 G CA -0.965 43.941 45.100 -0.323 0.000 0.903 251 G HN 0.005 nan 8.290 nan 0.000 0.490 252 R N -1.237 119.342 120.500 0.132 0.000 2.649 252 R HA 0.656 4.996 4.340 -0.001 0.000 0.270 252 R C -0.494 175.947 176.300 0.236 0.000 1.105 252 R CA -0.443 55.807 56.100 0.249 0.000 1.193 252 R CB 1.151 31.594 30.300 0.238 0.000 1.120 252 R HN 0.355 nan 8.270 nan 0.000 0.561 253 V N 0.155 120.225 119.914 0.260 0.000 2.876 253 V HA 0.213 4.333 4.120 -0.001 0.000 0.312 253 V C -0.023 176.194 176.094 0.205 0.000 1.085 253 V CA -1.079 61.376 62.300 0.259 0.000 0.945 253 V CB 2.113 34.157 31.823 0.369 0.000 1.017 253 V HN 0.977 nan 8.190 nan 0.000 0.428 254 T N 0.020 114.690 114.554 0.194 0.000 2.870 254 T HA 0.324 4.674 4.350 -0.001 0.000 0.300 254 T C -0.155 174.579 174.700 0.058 0.000 0.989 254 T CA -0.219 61.958 62.100 0.127 0.000 1.139 254 T CB 0.919 69.831 68.868 0.073 0.000 0.920 254 T HN 0.711 nan 8.240 nan 0.000 0.537 255 E N 2.605 122.757 120.200 -0.081 0.000 2.042 255 E HA 0.319 4.669 4.350 -0.001 0.000 0.260 255 E C -0.350 176.067 176.600 -0.304 0.000 0.975 255 E CA -0.955 55.378 56.400 -0.112 0.000 0.799 255 E CB -0.549 29.084 29.700 -0.111 0.000 1.131 255 E HN 0.671 nan 8.360 nan 0.000 0.423 256 F N 2.420 122.339 119.950 -0.052 0.000 2.451 256 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 256 F C 1.687 177.422 175.800 -0.108 0.000 1.101 256 F CA 0.755 58.717 58.000 -0.065 0.000 1.436 256 F CB 0.120 39.161 39.000 0.069 0.000 1.074 256 F HN 0.386 nan 8.300 nan 0.000 0.553 257 K N -0.997 119.400 120.400 -0.006 0.000 2.211 257 K HA -0.208 4.111 4.320 -0.001 0.000 0.203 257 K C 1.774 178.230 176.600 -0.239 0.000 1.050 257 K CA 1.121 57.373 56.287 -0.059 0.000 0.945 257 K CB -0.391 32.074 32.500 -0.058 0.000 0.732 257 K HN 0.250 nan 8.250 nan 0.000 0.451 258 Y N 1.360 121.269 120.300 -0.652 0.000 2.049 258 Y HA -0.228 4.321 4.550 -0.001 0.000 0.277 258 Y C 2.436 178.253 175.900 -0.138 0.000 1.143 258 Y CA 2.062 59.797 58.100 -0.609 0.000 1.115 258 Y CB -0.819 37.281 38.460 -0.600 0.000 0.975 258 Y HN 0.045 nan 8.280 nan 0.000 0.487 259 G N -0.598 108.229 108.800 0.045 0.000 2.432 259 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.219 259 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.219 259 G C 1.740 176.678 174.900 0.063 0.000 1.135 259 G CA 0.959 46.098 45.100 0.065 0.000 0.767 259 G HN 0.648 nan 8.290 nan 0.000 0.550 260 A N 0.887 123.754 122.820 0.077 0.000 1.858 260 A HA 0.020 4.340 4.320 -0.001 0.000 0.216 260 A C 2.406 180.058 177.584 0.113 0.000 1.190 260 A CA 1.853 53.956 52.037 0.109 0.000 0.617 260 A CB -0.284 18.797 19.000 0.136 0.000 0.827 260 A HN 0.196 nan 8.150 nan 0.000 0.443 261 K N -0.265 120.237 120.400 0.170 0.000 2.057 261 K HA 0.041 4.361 4.320 -0.001 0.000 0.206 261 K C 1.967 178.614 176.600 0.078 0.000 1.050 261 K CA 0.783 57.218 56.287 0.246 0.000 0.935 261 K CB -0.762 32.033 32.500 0.492 0.000 0.715 261 K HN 0.508 nan 8.250 nan 0.000 0.439 262 L N 0.470 121.685 121.223 -0.014 0.000 2.083 262 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 262 L C 2.240 178.943 176.870 -0.278 0.000 1.083 262 L CA 1.546 56.174 54.840 -0.354 0.000 0.752 262 L CB -0.740 41.078 42.059 -0.402 0.000 0.899 262 L HN 0.278 nan 8.230 nan 0.000 0.433 263 G N -1.243 107.468 108.800 -0.148 0.000 2.421 263 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 263 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 263 G C 1.459 176.179 174.900 -0.300 0.000 1.171 263 G CA 1.165 46.151 45.100 -0.189 0.000 0.775 263 G HN 0.317 nan 8.290 nan 0.000 0.543 264 T N 0.920 115.365 114.554 -0.182 0.000 2.720 264 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 264 T C 2.520 177.121 174.700 -0.165 0.000 1.037 264 T CA 1.324 63.341 62.100 -0.138 0.000 1.144 264 T CB -0.270 68.655 68.868 0.096 0.000 0.864 264 T HN 0.072 nan 8.240 nan 0.000 0.444 265 V N 1.064 120.875 119.914 -0.173 0.000 2.270 265 V HA -0.127 3.992 4.120 -0.001 0.000 0.245 265 V C 2.688 178.600 176.094 -0.304 0.000 1.043 265 V CA 1.279 63.451 62.300 -0.212 0.000 1.014 265 V CB -0.731 30.900 31.823 -0.321 0.000 0.645 265 V HN 0.299 nan 8.190 nan 0.000 0.447 266 V N 0.044 119.732 119.914 -0.377 0.000 2.469 266 V HA -0.257 3.862 4.120 -0.001 0.000 0.251 266 V C 2.480 178.390 176.094 -0.307 0.000 1.064 266 V CA 1.997 64.084 62.300 -0.355 0.000 1.066 266 V CB -0.852 30.771 31.823 -0.334 0.000 0.667 266 V HN 0.486 nan 8.190 nan 0.000 0.461 267 R N -0.395 119.866 120.500 -0.399 0.000 2.240 267 R HA 0.061 4.400 4.340 -0.001 0.000 0.203 267 R C 0.748 176.866 176.300 -0.304 0.000 1.011 267 R CA 0.090 55.896 56.100 -0.491 0.000 1.007 267 R CB -0.062 29.552 30.300 -1.142 0.000 0.911 267 R HN 0.407 nan 8.270 nan 0.000 0.468 268 K N -0.414 119.858 120.400 -0.214 0.000 3.125 268 K HA -0.157 4.163 4.320 -0.001 0.000 0.268 268 K C -0.965 175.731 176.600 0.160 0.000 1.078 268 K CA 0.309 56.569 56.287 -0.046 0.000 0.775 268 K CB -0.917 31.555 32.500 -0.048 0.000 1.253 268 K HN 0.143 nan 8.250 nan 0.000 0.486 269 W N 0.414 121.709 121.300 -0.008 0.000 2.283 269 W HA 0.219 4.879 4.660 -0.000 0.000 0.341 269 W C 1.254 177.789 176.519 0.026 0.000 1.206 269 W CA -0.703 56.647 57.345 0.007 0.000 1.294 269 W CB 0.560 30.027 29.460 0.011 0.000 1.154 269 W HN 0.229 nan 8.180 nan 0.000 0.613 270 S N 0.540 116.385 115.700 0.241 0.000 3.477 270 S HA -0.134 4.335 4.470 -0.001 0.000 0.357 270 S C 1.043 175.726 174.600 0.138 0.000 1.083 270 S CA 1.658 59.945 58.200 0.145 0.000 1.042 270 S CB -1.630 61.657 63.200 0.145 0.000 0.911 270 S HN 1.576 nan 8.310 nan 0.000 0.490 271 G N -0.464 108.418 108.800 0.137 0.000 2.199 271 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.254 271 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.254 271 G C -0.206 174.797 174.900 0.172 0.000 0.982 271 G CA 0.234 45.415 45.100 0.135 0.000 0.632 271 G HN 0.604 nan 8.290 nan 0.000 0.529 272 E N 1.131 121.438 120.200 0.178 0.000 2.452 272 E HA 0.325 4.675 4.350 -0.001 0.000 0.261 272 E C 0.473 177.055 176.600 -0.030 0.000 0.987 272 E CA 0.700 57.214 56.400 0.190 0.000 0.926 272 E CB 0.537 30.339 29.700 0.170 0.000 0.934 272 E HN 0.559 nan 8.360 nan 0.000 0.452 273 K N 2.351 122.588 120.400 -0.273 0.000 2.427 273 K HA 0.260 4.580 4.320 -0.001 0.000 0.252 273 K C 0.921 177.259 176.600 -0.437 0.000 0.931 273 K CA -0.516 55.458 56.287 -0.522 0.000 0.793 273 K CB 1.850 33.813 32.500 -0.895 0.000 1.211 273 K HN 0.352 nan 8.250 nan 0.000 0.426 274 M N 1.668 121.062 119.600 -0.344 0.000 2.267 274 M HA -0.177 4.303 4.480 -0.001 0.000 0.263 274 M C 1.516 177.731 176.300 -0.142 0.000 1.063 274 M CA 1.936 57.041 55.300 -0.325 0.000 1.090 274 M CB 0.048 32.410 32.600 -0.398 0.000 1.392 274 M HN 0.712 nan 8.290 nan 0.000 0.422 275 S N -0.913 114.704 115.700 -0.137 0.000 2.507 275 S HA -0.148 4.322 4.470 -0.001 0.000 0.235 275 S C 1.416 176.215 174.600 0.331 0.000 0.988 275 S CA 0.642 58.915 58.200 0.122 0.000 0.944 275 S CB -1.031 62.166 63.200 -0.005 0.000 0.762 275 S HN 0.726 nan 8.310 nan 0.000 0.526 276 Y N 1.033 121.426 120.300 0.155 0.000 2.544 276 Y HA 0.276 4.826 4.550 -0.001 0.000 0.286 276 Y C 1.614 177.675 175.900 0.269 0.000 1.141 276 Y CA -0.190 58.030 58.100 0.200 0.000 1.299 276 Y CB -0.181 38.423 38.460 0.240 0.000 1.030 276 Y HN 0.268 nan 8.280 nan 0.000 0.543 277 L N 0.580 121.958 121.223 0.258 0.000 2.650 277 L HA -0.084 4.255 4.340 -0.001 0.000 0.235 277 L C 2.253 179.076 176.870 -0.078 0.000 1.149 277 L CA 0.480 55.338 54.840 0.030 0.000 0.887 277 L CB -0.324 41.536 42.059 -0.332 0.000 1.021 277 L HN 0.194 nan 8.230 nan 0.000 0.441 278 K N 2.282 122.438 120.400 -0.405 0.000 2.074 278 K HA -0.226 4.093 4.320 -0.001 0.000 0.209 278 K C 1.216 177.434 176.600 -0.637 0.000 1.048 278 K CA 2.141 57.645 56.287 -1.305 0.000 0.926 278 K CB -0.071 31.810 32.500 -1.031 0.000 0.713 278 K HN 0.632 nan 8.250 nan 0.000 0.444 279 N N -0.660 117.904 118.700 -0.227 0.000 2.376 279 N HA -0.028 4.712 4.740 -0.001 0.000 0.249 279 N C -0.208 175.290 175.510 -0.020 0.000 1.140 279 N CA -0.758 52.208 53.050 -0.139 0.000 0.870 279 N CB -0.054 38.392 38.487 -0.068 0.000 1.124 279 N HN 0.208 nan 8.380 nan 0.000 0.505 280 W N 1.701 122.795 121.300 -0.343 0.000 2.293 280 W HA 0.206 4.866 4.660 -0.001 0.000 0.342 280 W C 0.538 176.720 176.519 -0.562 0.000 1.274 280 W CA 2.023 58.970 57.345 -0.663 0.000 1.290 280 W CB 0.577 29.679 29.460 -0.597 0.000 1.176 280 W HN 0.488 nan 8.180 nan 0.000 0.570 281 G N 3.773 111.715 108.800 -1.430 0.000 2.317 281 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.196 281 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.196 281 G C 0.250 174.580 174.900 -0.950 0.000 1.255 281 G CA 0.071 44.456 45.100 -1.192 0.000 1.243 281 G HN 0.443 nan 8.290 nan 0.000 0.535 282 E N 0.760 120.727 120.200 -0.388 0.000 2.153 282 E HA 0.075 4.425 4.350 -0.001 0.000 0.194 282 E C 2.528 178.983 176.600 -0.243 0.000 0.988 282 E CA 1.751 58.044 56.400 -0.180 0.000 0.811 282 E CB -0.620 29.075 29.700 -0.007 0.000 0.746 282 E HN 0.838 nan 8.360 nan 0.000 0.466 283 G N -0.279 108.381 108.800 -0.234 0.000 2.499 283 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.221 283 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.221 283 G C 0.434 175.201 174.900 -0.222 0.000 1.109 283 G CA 0.528 45.526 45.100 -0.169 0.000 0.749 283 G HN 0.267 nan 8.290 nan 0.000 0.568 284 W N 0.017 120.872 121.300 -0.742 0.000 3.325 284 W HA 0.461 5.121 4.660 -0.001 0.000 0.370 284 W C 1.589 177.745 176.519 -0.605 0.000 1.169 284 W CA -0.390 56.472 57.345 -0.806 0.000 1.874 284 W CB -0.065 28.577 29.460 -1.363 0.000 1.076 284 W HN 0.305 nan 8.180 nan 0.000 0.684 285 G N -0.462 108.201 108.800 -0.227 0.000 2.141 285 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.242 285 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.242 285 G C 0.246 175.255 174.900 0.182 0.000 0.982 285 G CA -0.609 44.478 45.100 -0.022 0.000 0.662 285 G HN 0.246 nan 8.290 nan 0.000 0.527 286 F N 1.093 120.988 119.950 -0.091 0.000 2.406 286 F HA 0.522 5.049 4.527 -0.001 0.000 0.327 286 F C 1.789 177.628 175.800 0.064 0.000 1.153 286 F CA -0.821 57.132 58.000 -0.079 0.000 1.218 286 F CB 0.556 39.330 39.000 -0.376 0.000 1.215 286 F HN 0.243 nan 8.300 nan 0.000 0.570 287 M N 1.323 121.144 119.600 0.370 0.000 2.167 287 M HA 0.331 4.811 4.480 -0.001 0.000 0.300 287 M C -2.699 173.749 176.300 0.247 0.000 1.171 287 M CA -1.546 53.948 55.300 0.324 0.000 1.171 287 M CB -0.614 32.216 32.600 0.383 0.000 1.396 287 M HN 0.100 nan 8.290 nan 0.000 0.466 288 P HA 0.010 nan 4.420 nan 0.000 0.265 288 P C 0.264 177.527 177.300 -0.062 0.000 1.193 288 P CA 0.215 63.305 63.100 -0.016 0.000 0.765 288 P CB 0.817 32.414 31.700 -0.172 0.000 0.823 289 S N 2.661 118.341 115.700 -0.034 0.000 2.392 289 S HA -0.208 4.262 4.470 -0.001 0.000 0.232 289 S C 1.191 175.618 174.600 -0.287 0.000 1.041 289 S CA 2.006 60.015 58.200 -0.319 0.000 1.026 289 S CB -0.806 62.301 63.200 -0.154 0.000 0.845 289 S HN 0.626 nan 8.310 nan 0.000 0.465 290 D N -0.721 119.562 120.400 -0.195 0.000 2.325 290 D HA 0.074 4.713 4.640 -0.001 0.000 0.234 290 D C 1.246 177.452 176.300 -0.157 0.000 1.122 290 D CA 0.005 53.903 54.000 -0.170 0.000 0.850 290 D CB -0.100 40.593 40.800 -0.178 0.000 0.921 290 D HN 0.259 nan 8.370 nan 0.000 0.513 291 R N -0.412 119.978 120.500 -0.183 0.000 2.544 291 R HA 0.381 4.721 4.340 -0.001 0.000 0.303 291 R C 0.109 176.396 176.300 -0.021 0.000 0.939 291 R CA -0.088 55.931 56.100 -0.135 0.000 1.102 291 R CB 0.843 30.791 30.300 -0.586 0.000 1.440 291 R HN 0.174 nan 8.270 nan 0.000 0.532 292 A N 1.528 124.297 122.820 -0.086 0.000 2.310 292 A HA 0.587 4.907 4.320 -0.001 0.000 0.299 292 A C -0.744 176.811 177.584 -0.048 0.000 1.147 292 A CA -0.387 51.609 52.037 -0.069 0.000 0.818 292 A CB 0.708 19.594 19.000 -0.190 0.000 1.096 292 A HN 0.150 nan 8.150 nan 0.000 0.495 293 L N 3.921 125.139 121.223 -0.010 0.000 2.343 293 L HA 0.638 4.978 4.340 -0.001 0.000 0.278 293 L C -0.277 176.559 176.870 -0.057 0.000 0.996 293 L CA -0.420 54.413 54.840 -0.011 0.000 0.831 293 L CB 1.651 43.685 42.059 -0.041 0.000 1.232 293 L HN 0.731 nan 8.230 nan 0.000 0.413 294 V N 2.247 122.049 119.914 -0.187 0.000 2.994 294 V HA 0.867 4.987 4.120 -0.001 0.000 0.318 294 V C -0.699 175.283 176.094 -0.186 0.000 1.085 294 V CA -0.649 61.382 62.300 -0.448 0.000 0.998 294 V CB 1.711 32.972 31.823 -0.938 0.000 1.063 294 V HN 0.822 nan 8.190 nan 0.000 0.447 295 F N -1.281 118.465 119.950 -0.341 0.000 2.793 295 F HA 0.672 5.199 4.527 -0.001 0.000 0.316 295 F C -0.076 175.752 175.800 0.047 0.000 1.147 295 F CA -0.800 57.120 58.000 -0.134 0.000 0.930 295 F CB 0.570 39.501 39.000 -0.116 0.000 1.277 295 F HN 0.260 nan 8.300 nan 0.000 0.443 296 V N -0.006 120.062 119.914 0.255 0.000 2.446 296 V HA 0.041 4.161 4.120 -0.001 0.000 0.244 296 V C 0.257 176.562 176.094 0.351 0.000 1.039 296 V CA 2.004 64.469 62.300 0.275 0.000 1.045 296 V CB -0.608 31.404 31.823 0.315 0.000 0.681 296 V HN 0.921 nan 8.190 nan 0.000 0.459 297 D N -0.416 120.275 120.400 0.486 0.000 2.579 297 D HA 0.286 4.926 4.640 -0.001 0.000 0.257 297 D C -1.151 175.386 176.300 0.395 0.000 1.176 297 D CA -0.670 53.582 54.000 0.419 0.000 0.914 297 D CB 1.617 42.568 40.800 0.251 0.000 1.431 297 D HN 0.278 nan 8.370 nan 0.000 0.454 298 N N -1.734 117.086 118.700 0.201 0.000 2.455 298 N HA 0.111 4.851 4.740 -0.001 0.000 0.278 298 N C 0.825 176.250 175.510 -0.141 0.000 1.291 298 N CA -0.403 52.624 53.050 -0.038 0.000 0.780 298 N CB 0.996 39.338 38.487 -0.242 0.000 1.520 298 N HN 0.682 nan 8.380 nan 0.000 0.486 299 H N -1.132 117.771 119.070 -0.279 0.000 2.431 299 H HA -0.122 4.434 4.556 -0.001 0.000 0.297 299 H C 0.811 175.802 175.328 -0.562 0.000 1.115 299 H CA 1.982 57.603 56.048 -0.711 0.000 1.277 299 H CB 0.119 29.122 29.762 -1.263 0.000 1.372 299 H HN 0.627 nan 8.280 nan 0.000 0.516 300 D N 0.527 120.302 120.400 -1.043 0.000 2.146 300 D HA -0.121 4.519 4.640 -0.001 0.000 0.209 300 D C 1.557 177.755 176.300 -0.171 0.000 0.973 300 D CA 1.252 54.879 54.000 -0.621 0.000 0.860 300 D CB -0.081 40.386 40.800 -0.555 0.000 1.015 300 D HN 0.627 nan 8.370 nan 0.000 0.465 301 N N 0.836 119.510 118.700 -0.043 0.000 2.515 301 N HA -0.155 4.584 4.740 -0.001 0.000 0.185 301 N C 1.561 177.130 175.510 0.098 0.000 1.109 301 N CA 0.530 53.630 53.050 0.083 0.000 0.903 301 N CB -0.762 37.833 38.487 0.181 0.000 0.969 301 N HN 0.374 nan 8.380 nan 0.000 0.450 302 Q N -0.137 119.701 119.800 0.063 0.000 2.515 302 Q HA 0.056 4.396 4.340 -0.001 0.000 0.212 302 Q C 0.636 176.777 176.000 0.236 0.000 0.970 302 Q CA 0.441 56.322 55.803 0.131 0.000 0.941 302 Q CB -0.049 28.759 28.738 0.116 0.000 0.998 302 Q HN 0.258 nan 8.270 nan 0.000 0.518 303 R N 0.524 121.116 120.500 0.154 0.000 2.831 303 R HA 0.284 4.623 4.340 -0.001 0.000 0.337 303 R C 0.286 176.625 176.300 0.065 0.000 1.200 303 R CA 0.256 56.476 56.100 0.200 0.000 1.088 303 R CB 0.812 31.179 30.300 0.112 0.000 1.397 303 R HN 0.488 nan 8.270 nan 0.000 0.581 304 G N 1.434 110.281 108.800 0.077 0.000 2.742 304 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.255 304 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.255 304 G C -0.179 174.725 174.900 0.006 0.000 1.322 304 G CA 0.104 45.200 45.100 -0.005 0.000 0.967 304 G HN 0.710 nan 8.290 nan 0.000 0.556 305 H N 2.188 121.344 119.070 0.143 0.000 5.111 305 H HA 0.481 5.036 4.556 -0.001 0.000 0.153 305 H C 1.031 176.398 175.328 0.064 0.000 0.964 305 H CA 0.754 56.859 56.048 0.095 0.000 1.334 305 H CB -1.116 28.694 29.762 0.081 0.000 1.518 305 H HN 0.967 nan 8.280 nan 0.000 0.947 306 G N -0.501 108.416 108.800 0.194 0.000 2.736 306 G HA2 0.558 4.518 3.960 -0.001 0.000 0.229 306 G HA3 0.558 4.518 3.960 -0.001 0.000 0.229 306 G C -0.625 174.310 174.900 0.058 0.000 1.380 306 G CA -0.776 44.397 45.100 0.122 0.000 1.040 306 G HN 0.674 nan 8.290 nan 0.000 0.568 307 A N -1.084 121.740 122.820 0.007 0.000 2.437 307 A HA 0.581 4.901 4.320 -0.001 0.000 0.303 307 A C 1.043 178.708 177.584 0.135 0.000 1.324 307 A CA 0.792 52.809 52.037 -0.034 0.000 0.983 307 A CB -0.639 18.142 19.000 -0.364 0.000 1.142 307 A HN 2.271 nan 8.150 nan 0.000 0.541 308 G N 1.267 110.134 108.800 0.112 0.000 2.551 308 G HA2 0.328 4.288 3.960 -0.001 0.000 0.186 308 G HA3 0.328 4.288 3.960 -0.001 0.000 0.186 308 G C 1.421 176.405 174.900 0.141 0.000 1.002 308 G CA 0.688 45.872 45.100 0.141 0.000 0.723 308 G HN 2.663 nan 8.290 nan 0.000 0.481 309 G N 0.060 108.941 108.800 0.134 0.000 2.562 309 G HA2 0.053 4.013 3.960 -0.001 0.000 0.250 309 G HA3 0.053 4.013 3.960 -0.001 0.000 0.250 309 G C 1.440 176.439 174.900 0.166 0.000 1.269 309 G CA 1.977 47.164 45.100 0.145 0.000 0.919 309 G HN 1.921 nan 8.290 nan 0.000 0.574 310 S N -0.207 115.614 115.700 0.201 0.000 2.447 310 S HA -0.029 4.441 4.470 -0.001 0.000 0.233 310 S C 2.495 177.271 174.600 0.293 0.000 1.006 310 S CA 2.125 60.475 58.200 0.250 0.000 0.957 310 S CB -0.482 62.882 63.200 0.272 0.000 0.773 310 S HN 2.126 nan 8.310 nan 0.000 0.507 311 S N 1.640 117.513 115.700 0.288 0.000 2.447 311 S HA 0.128 4.597 4.470 -0.001 0.000 0.233 311 S C 0.782 175.340 174.600 -0.070 0.000 1.006 311 S CA -0.051 58.153 58.200 0.007 0.000 0.957 311 S CB -0.942 62.325 63.200 0.112 0.000 0.773 311 S HN 0.573 nan 8.310 nan 0.000 0.507 312 I N 2.453 123.053 120.570 0.051 0.000 2.683 312 I HA 0.090 4.260 4.170 -0.001 0.000 0.286 312 I C 0.168 176.312 176.117 0.045 0.000 1.175 312 I CA -0.063 61.278 61.300 0.070 0.000 1.429 312 I CB 0.357 38.438 38.000 0.134 0.000 1.371 312 I HN 0.215 nan 8.210 nan 0.000 0.569 313 L N 6.285 127.549 121.223 0.069 0.000 2.379 313 L HA 0.527 4.867 4.340 -0.001 0.000 0.269 313 L C 0.420 177.313 176.870 0.038 0.000 1.084 313 L CA -0.202 54.690 54.840 0.088 0.000 0.802 313 L CB 1.591 43.756 42.059 0.177 0.000 1.175 313 L HN 0.725 nan 8.230 nan 0.000 0.448 314 T N -2.146 112.285 114.554 -0.205 0.000 2.787 314 T HA 0.279 4.629 4.350 -0.001 0.000 0.297 314 T C 0.649 174.840 174.700 -0.849 0.000 1.221 314 T CA -0.642 61.053 62.100 -0.674 0.000 1.006 314 T CB 0.699 69.370 68.868 -0.329 0.000 1.328 314 T HN 0.448 nan 8.240 nan 0.000 0.509 315 F N -1.029 118.389 119.950 -0.886 0.000 2.346 315 F HA 0.125 4.652 4.527 -0.001 0.000 0.301 315 F C 1.523 177.267 175.800 -0.094 0.000 1.070 315 F CA 0.237 58.019 58.000 -0.363 0.000 1.407 315 F CB -0.914 37.864 39.000 -0.369 0.000 1.072 315 F HN 0.566 nan 8.300 nan 0.000 0.543 316 W N 1.199 122.083 121.300 -0.694 0.000 2.525 316 W HA -0.030 4.630 4.660 -0.000 0.000 0.259 316 W C 0.565 177.008 176.519 -0.127 0.000 1.253 316 W CA 0.489 57.577 57.345 -0.428 0.000 1.262 316 W CB 0.008 29.150 29.460 -0.531 0.000 1.122 316 W HN -0.026 nan 8.180 nan 0.000 0.607 317 D N -0.482 119.993 120.400 0.126 0.000 2.943 317 D HA 0.229 4.869 4.640 -0.001 0.000 0.347 317 D C 1.326 177.775 176.300 0.248 0.000 1.305 317 D CA 0.103 54.193 54.000 0.150 0.000 0.870 317 D CB 0.504 41.361 40.800 0.095 0.000 1.081 317 D HN -0.025 nan 8.370 nan 0.000 0.492 318 A N 1.078 124.083 122.820 0.309 0.000 1.896 318 A HA -0.303 4.016 4.320 -0.001 0.000 0.220 318 A C 2.170 179.947 177.584 0.321 0.000 1.206 318 A CA 1.727 54.018 52.037 0.422 0.000 0.647 318 A CB -0.323 18.784 19.000 0.178 0.000 0.828 318 A HN 0.331 nan 8.150 nan 0.000 0.455 319 R N -1.195 119.411 120.500 0.178 0.000 2.080 319 R HA -0.136 4.203 4.340 -0.001 0.000 0.236 319 R C 1.903 178.303 176.300 0.168 0.000 1.137 319 R CA 1.851 58.038 56.100 0.146 0.000 0.943 319 R CB -0.386 29.966 30.300 0.088 0.000 0.846 319 R HN 0.404 nan 8.270 nan 0.000 0.431 320 L N -0.471 120.835 121.223 0.139 0.000 2.156 320 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 320 L C 2.081 179.038 176.870 0.146 0.000 1.095 320 L CA 1.371 56.261 54.840 0.083 0.000 0.770 320 L CB -1.016 41.053 42.059 0.018 0.000 0.914 320 L HN 0.239 nan 8.230 nan 0.000 0.439 321 Y N 0.934 121.302 120.300 0.114 0.000 2.145 321 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 321 Y C 2.413 178.430 175.900 0.195 0.000 1.145 321 Y CA 1.654 59.848 58.100 0.156 0.000 1.148 321 Y CB -0.186 38.426 38.460 0.253 0.000 0.981 321 Y HN 0.119 nan 8.280 nan 0.000 0.507 322 K N -0.163 120.400 120.400 0.271 0.000 2.097 322 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 322 K C 2.055 178.698 176.600 0.072 0.000 1.049 322 K CA 1.835 58.263 56.287 0.235 0.000 0.933 322 K CB -0.264 32.490 32.500 0.423 0.000 0.717 322 K HN 0.378 nan 8.250 nan 0.000 0.442 323 I N 0.729 121.269 120.570 -0.051 0.000 2.315 323 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 323 I C 2.478 178.435 176.117 -0.266 0.000 1.117 323 I CA 0.921 61.987 61.300 -0.391 0.000 1.404 323 I CB -0.340 37.514 38.000 -0.243 0.000 1.071 323 I HN 0.115 nan 8.210 nan 0.000 0.419 324 A N 0.491 123.207 122.820 -0.172 0.000 1.929 324 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 324 A C 2.424 179.980 177.584 -0.048 0.000 1.176 324 A CA 1.292 53.240 52.037 -0.149 0.000 0.628 324 A CB -0.792 18.147 19.000 -0.102 0.000 0.816 324 A HN 0.214 nan 8.150 nan 0.000 0.444 325 V N -0.028 119.816 119.914 -0.118 0.000 2.358 325 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 325 V C 2.814 178.914 176.094 0.009 0.000 1.047 325 V CA 1.920 64.158 62.300 -0.103 0.000 1.035 325 V CB -1.399 30.251 31.823 -0.289 0.000 0.658 325 V HN 0.595 nan 8.190 nan 0.000 0.452 326 G N -0.926 107.889 108.800 0.025 0.000 2.422 326 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.218 326 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.218 326 G C 1.546 176.542 174.900 0.160 0.000 1.146 326 G CA 0.958 46.114 45.100 0.094 0.000 0.769 326 G HN 0.472 nan 8.290 nan 0.000 0.547 327 F N 1.040 121.005 119.950 0.024 0.000 2.075 327 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 327 F C 2.667 178.559 175.800 0.154 0.000 1.113 327 F CA 2.097 60.105 58.000 0.013 0.000 1.218 327 F CB -0.233 38.500 39.000 -0.446 0.000 0.984 327 F HN 0.163 nan 8.300 nan 0.000 0.472 328 M N -0.408 119.299 119.600 0.177 0.000 2.082 328 M HA -0.241 4.239 4.480 -0.001 0.000 0.258 328 M C 1.876 178.257 176.300 0.136 0.000 1.069 328 M CA 1.850 57.293 55.300 0.238 0.000 1.102 328 M CB -0.402 32.360 32.600 0.270 0.000 1.336 328 M HN 0.279 nan 8.290 nan 0.000 0.404 329 L N 0.507 121.775 121.223 0.075 0.000 2.141 329 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 329 L C 2.696 179.628 176.870 0.103 0.000 1.094 329 L CA 1.971 56.843 54.840 0.054 0.000 0.763 329 L CB -1.448 40.626 42.059 0.025 0.000 0.908 329 L HN 0.434 nan 8.230 nan 0.000 0.437 330 A N -2.516 120.332 122.820 0.046 0.000 1.935 330 A HA -0.100 4.219 4.320 -0.001 0.000 0.214 330 A C 1.289 179.121 177.584 0.414 0.000 1.178 330 A CA 0.238 52.329 52.037 0.091 0.000 0.640 330 A CB -0.574 18.270 19.000 -0.259 0.000 0.825 330 A HN 0.382 nan 8.150 nan 0.000 0.447 331 H N 1.125 120.329 119.070 0.224 0.000 2.764 331 H HA 0.124 4.680 4.556 -0.000 0.000 0.341 331 H C -1.618 173.836 175.328 0.209 0.000 1.072 331 H CA -1.236 54.911 56.048 0.165 0.000 1.444 331 H CB 1.337 31.020 29.762 -0.132 0.000 1.458 331 H HN 0.128 nan 8.280 nan 0.000 0.572 332 P HA -0.163 nan 4.420 nan 0.000 0.225 332 P C 0.286 177.763 177.300 0.295 0.000 1.148 332 P CA 0.601 63.812 63.100 0.186 0.000 0.779 332 P CB -0.143 31.604 31.700 0.078 0.000 0.780 333 Y N 2.382 122.976 120.300 0.490 0.000 2.632 333 Y HA 0.299 4.849 4.550 -0.001 0.000 0.329 333 Y C 1.364 177.338 175.900 0.123 0.000 1.174 333 Y CA 1.316 59.577 58.100 0.268 0.000 1.469 333 Y CB -0.479 38.112 38.460 0.219 0.000 1.242 333 Y HN 0.304 nan 8.280 nan 0.000 0.540 334 G N 4.694 113.069 108.800 -0.708 0.000 2.801 334 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.244 334 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.244 334 G C -1.230 173.579 174.900 -0.151 0.000 1.385 334 G CA -0.178 44.602 45.100 -0.533 0.000 0.894 334 G HN 0.909 nan 8.290 nan 0.000 0.562 335 F N 2.130 121.927 119.950 -0.254 0.000 2.385 335 F HA 0.613 5.139 4.527 -0.001 0.000 0.360 335 F C 1.226 176.913 175.800 -0.189 0.000 1.122 335 F CA -0.133 57.752 58.000 -0.191 0.000 1.090 335 F CB 1.162 40.059 39.000 -0.172 0.000 1.150 335 F HN 0.824 nan 8.300 nan 0.000 0.472 336 T N 4.118 118.271 114.554 -0.668 0.000 2.869 336 T HA 0.382 4.731 4.350 -0.001 0.000 0.295 336 T C -0.236 174.141 174.700 -0.538 0.000 0.987 336 T CA -0.814 60.989 62.100 -0.495 0.000 1.109 336 T CB 1.195 69.866 68.868 -0.328 0.000 0.932 336 T HN 0.795 nan 8.240 nan 0.000 0.518 337 R N 2.177 122.520 120.500 -0.262 0.000 2.480 337 R HA 0.617 4.957 4.340 -0.001 0.000 0.306 337 R C -1.687 174.597 176.300 -0.026 0.000 0.958 337 R CA -0.754 55.243 56.100 -0.172 0.000 0.861 337 R CB 1.621 31.822 30.300 -0.165 0.000 1.171 337 R HN 0.592 nan 8.270 nan 0.000 0.445 338 V N 5.482 125.403 119.914 0.010 0.000 2.483 338 V HA 0.338 4.458 4.120 -0.001 0.000 0.295 338 V C 0.092 176.258 176.094 0.119 0.000 1.035 338 V CA -0.796 61.555 62.300 0.085 0.000 0.896 338 V CB 1.678 33.571 31.823 0.117 0.000 0.986 338 V HN 0.822 nan 8.190 nan 0.000 0.447 339 M N 4.331 124.028 119.600 0.161 0.000 2.235 339 M HA 0.440 4.920 4.480 -0.001 0.000 0.351 339 M C -0.102 176.257 176.300 0.097 0.000 1.178 339 M CA 0.826 56.217 55.300 0.152 0.000 1.143 339 M CB 1.266 33.987 32.600 0.202 0.000 1.530 339 M HN 0.636 nan 8.290 nan 0.000 0.461 340 S N 2.963 118.687 115.700 0.039 0.000 2.733 340 S HA 0.832 5.302 4.470 -0.001 0.000 0.294 340 S C -1.106 173.564 174.600 0.118 0.000 1.149 340 S CA -0.432 57.792 58.200 0.040 0.000 1.034 340 S CB 0.523 63.643 63.200 -0.134 0.000 1.015 340 S HN 0.901 nan 8.310 nan 0.000 0.486 341 S N 3.447 119.213 115.700 0.110 0.000 2.971 341 S HA 0.844 5.314 4.470 -0.001 0.000 0.320 341 S C -1.308 173.407 174.600 0.191 0.000 1.111 341 S CA -0.824 57.483 58.200 0.180 0.000 0.870 341 S CB 0.485 63.695 63.200 0.016 0.000 1.331 341 S HN 0.904 nan 8.310 nan 0.000 0.635 342 Y N -0.558 119.799 120.300 0.095 0.000 2.570 342 Y HA 0.813 5.363 4.550 -0.001 0.000 0.345 342 Y C -0.378 175.518 175.900 -0.007 0.000 1.014 342 Y CA -1.339 56.705 58.100 -0.094 0.000 1.063 342 Y CB 1.021 39.272 38.460 -0.348 0.000 1.272 342 Y HN 0.832 nan 8.280 nan 0.000 0.477 343 R N 1.913 122.500 120.500 0.144 0.000 2.457 343 R HA 0.574 4.914 4.340 -0.001 0.000 0.284 343 R C -1.694 174.921 176.300 0.524 0.000 1.024 343 R CA -0.480 55.762 56.100 0.236 0.000 1.025 343 R CB 0.954 31.262 30.300 0.013 0.000 1.063 343 R HN 0.967 nan 8.270 nan 0.000 0.493 344 W N 1.592 123.120 121.300 0.379 0.000 3.062 344 W HA 0.621 5.281 4.660 -0.001 0.000 0.336 344 W C -1.615 175.042 176.519 0.230 0.000 1.224 344 W CA -1.206 56.285 57.345 0.243 0.000 1.159 344 W CB 0.909 30.491 29.460 0.204 0.000 1.454 344 W HN 0.618 nan 8.180 nan 0.000 0.569 345 A N 3.610 126.534 122.820 0.173 0.000 2.797 345 A HA 0.331 4.651 4.320 -0.001 0.000 0.296 345 A C 0.400 177.930 177.584 -0.091 0.000 1.580 345 A CA -0.484 51.557 52.037 0.008 0.000 1.277 345 A CB -0.604 18.421 19.000 0.042 0.000 1.101 345 A HN 0.586 nan 8.150 nan 0.000 0.562 346 R N 1.593 121.842 120.500 -0.417 0.000 2.570 346 R HA 0.081 4.421 4.340 -0.001 0.000 0.277 346 R C -0.413 175.693 176.300 -0.323 0.000 1.039 346 R CA 0.061 55.861 56.100 -0.501 0.000 1.065 346 R CB 0.289 30.073 30.300 -0.861 0.000 0.964 346 R HN 0.626 nan 8.270 nan 0.000 0.428 347 N N 2.903 121.400 118.700 -0.338 0.000 2.640 347 N HA 0.149 4.888 4.740 -0.001 0.000 0.262 347 N C -1.672 173.714 175.510 -0.207 0.000 1.174 347 N CA -0.391 52.562 53.050 -0.163 0.000 0.791 347 N CB 0.468 38.940 38.487 -0.025 0.000 1.279 347 N HN 0.300 nan 8.380 nan 0.000 0.535 348 F N 2.058 122.003 119.950 -0.008 0.000 2.471 348 F HA 0.265 4.792 4.527 -0.001 0.000 0.365 348 F C 0.867 176.681 175.800 0.024 0.000 1.095 348 F CA -0.488 57.515 58.000 0.005 0.000 1.174 348 F CB 0.795 39.772 39.000 -0.038 0.000 1.105 348 F HN 0.110 nan 8.300 nan 0.000 0.535 349 V N 1.664 121.691 119.914 0.188 0.000 2.531 349 V HA 0.448 4.568 4.120 -0.001 0.000 0.301 349 V C 0.223 176.399 176.094 0.137 0.000 1.034 349 V CA -1.094 61.288 62.300 0.137 0.000 0.865 349 V CB 1.418 33.304 31.823 0.104 0.000 0.995 349 V HN 0.947 nan 8.190 nan 0.000 0.424 350 N N 3.418 122.182 118.700 0.107 0.000 2.735 350 N HA -0.207 4.532 4.740 -0.001 0.000 0.248 350 N C 1.139 176.715 175.510 0.110 0.000 1.083 350 N CA 0.915 54.019 53.050 0.089 0.000 0.703 350 N CB -0.955 37.581 38.487 0.081 0.000 1.005 350 N HN 2.368 nan 8.380 nan 0.000 0.550 351 G N -0.186 108.692 108.800 0.131 0.000 2.155 351 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.257 351 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.257 351 G C -0.287 174.775 174.900 0.270 0.000 0.983 351 G CA 0.899 46.082 45.100 0.139 0.000 0.676 351 G HN 0.723 nan 8.290 nan 0.000 0.528 352 E N 0.208 120.591 120.200 0.306 0.000 2.224 352 E HA 0.399 4.748 4.350 -0.001 0.000 0.265 352 E C -1.205 175.491 176.600 0.160 0.000 0.878 352 E CA -0.943 55.629 56.400 0.286 0.000 0.759 352 E CB 0.990 30.828 29.700 0.230 0.000 1.164 352 E HN 0.020 nan 8.360 nan 0.000 0.414 353 D N 4.236 124.600 120.400 -0.060 0.000 2.346 353 D HA -0.027 4.613 4.640 -0.001 0.000 0.267 353 D C 1.111 177.410 176.300 -0.002 0.000 1.320 353 D CA -0.054 53.713 54.000 -0.388 0.000 0.951 353 D CB 1.056 41.505 40.800 -0.584 0.000 1.079 353 D HN 0.316 nan 8.370 nan 0.000 0.509 354 V N 1.607 121.559 119.914 0.062 0.000 3.444 354 V HA 0.018 4.138 4.120 -0.001 0.000 0.271 354 V C 0.904 177.221 176.094 0.370 0.000 1.188 354 V CA 0.690 63.129 62.300 0.232 0.000 1.168 354 V CB -0.489 31.458 31.823 0.206 0.000 0.810 354 V HN 0.288 nan 8.190 nan 0.000 0.500 355 N N 1.403 120.197 118.700 0.158 0.000 2.203 355 N HA 0.040 4.780 4.740 -0.001 0.000 0.207 355 N C 1.218 176.583 175.510 -0.242 0.000 1.130 355 N CA 0.780 53.764 53.050 -0.108 0.000 0.861 355 N CB -0.048 38.440 38.487 0.002 0.000 1.005 355 N HN 0.778 nan 8.380 nan 0.000 0.507 356 D N 0.013 120.462 120.400 0.081 0.000 2.403 356 D HA -0.161 4.478 4.640 -0.001 0.000 0.227 356 D C 1.332 177.753 176.300 0.201 0.000 0.995 356 D CA 0.340 54.374 54.000 0.056 0.000 0.928 356 D CB -0.410 40.538 40.800 0.246 0.000 0.887 356 D HN 0.522 nan 8.370 nan 0.000 0.529 357 W N 0.750 122.214 121.300 0.273 0.000 2.812 357 W HA 0.276 4.936 4.660 -0.000 0.000 0.263 357 W C 0.642 177.249 176.519 0.146 0.000 1.284 357 W CA -0.806 56.703 57.345 0.273 0.000 1.430 357 W CB -0.711 28.898 29.460 0.249 0.000 1.088 357 W HN -0.254 nan 8.180 nan 0.000 0.623 358 I N 2.933 123.036 120.570 -0.779 0.000 2.996 358 I HA -0.093 4.077 4.170 -0.001 0.000 0.310 358 I C 1.545 177.655 176.117 -0.012 0.000 1.225 358 I CA 1.043 61.948 61.300 -0.658 0.000 1.442 358 I CB -0.089 37.522 38.000 -0.647 0.000 1.334 358 I HN -0.073 nan 8.210 nan 0.000 0.550 359 G N 8.106 116.895 108.800 -0.019 0.000 2.588 359 G HA2 0.335 4.295 3.960 -0.001 0.000 0.278 359 G HA3 0.335 4.295 3.960 -0.001 0.000 0.278 359 G C -2.394 172.170 174.900 -0.560 0.000 1.307 359 G CA -0.836 44.231 45.100 -0.054 0.000 1.016 359 G HN 0.459 nan 8.290 nan 0.000 0.503 360 P HA 0.155 nan 4.420 nan 0.000 0.270 360 P C -2.681 174.029 177.300 -0.984 0.000 1.223 360 P CA -0.959 61.212 63.100 -1.549 0.000 0.785 360 P CB -0.006 31.197 31.700 -0.828 0.000 0.923 361 P HA 0.003 nan 4.420 nan 0.000 0.258 361 P C -0.334 176.725 177.300 -0.402 0.000 1.172 361 P CA 0.870 63.549 63.100 -0.703 0.000 0.762 361 P CB -0.397 30.738 31.700 -0.943 0.000 0.764 362 N N 1.268 119.810 118.700 -0.264 0.000 2.732 362 N HA 0.358 5.098 4.740 -0.001 0.000 0.259 362 N C -1.457 173.988 175.510 -0.108 0.000 1.402 362 N CA -1.048 51.905 53.050 -0.161 0.000 0.829 362 N CB 1.155 39.548 38.487 -0.157 0.000 1.495 362 N HN 0.070 nan 8.380 nan 0.000 0.511 363 N N -0.194 118.460 118.700 -0.077 0.000 2.518 363 N HA 0.344 5.084 4.740 -0.001 0.000 0.254 363 N C -1.156 174.326 175.510 -0.047 0.000 0.979 363 N CA -0.728 52.290 53.050 -0.054 0.000 0.930 363 N CB 0.545 39.006 38.487 -0.043 0.000 1.152 363 N HN 0.723 nan 8.380 nan 0.000 0.505 364 N N 1.841 120.518 118.700 -0.040 0.000 2.710 364 N HA -0.270 4.469 4.740 -0.001 0.000 0.249 364 N C 0.866 176.352 175.510 -0.040 0.000 1.059 364 N CA 0.575 53.605 53.050 -0.032 0.000 0.720 364 N CB -0.628 37.844 38.487 -0.026 0.000 0.983 364 N HN 0.981 nan 8.380 nan 0.000 0.544 365 G N -2.114 106.654 108.800 -0.053 0.000 2.234 365 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.235 365 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.235 365 G C 0.119 174.975 174.900 -0.073 0.000 0.997 365 G CA 0.084 45.147 45.100 -0.063 0.000 0.623 365 G HN 1.052 nan 8.290 nan 0.000 0.514 366 V N 1.190 121.063 119.914 -0.067 0.000 2.406 366 V HA 0.712 4.832 4.120 -0.001 0.000 0.272 366 V C 1.028 177.076 176.094 -0.076 0.000 1.043 366 V CA -1.859 60.400 62.300 -0.069 0.000 0.915 366 V CB 0.950 32.741 31.823 -0.053 0.000 0.988 366 V HN 0.353 nan 8.190 nan 0.000 0.466 367 I N 3.489 124.009 120.570 -0.084 0.000 2.919 367 I HA 0.043 4.213 4.170 -0.001 0.000 0.303 367 I C 1.008 177.114 176.117 -0.019 0.000 1.221 367 I CA 0.560 61.823 61.300 -0.061 0.000 1.444 367 I CB -0.485 37.489 38.000 -0.043 0.000 1.331 367 I HN 0.785 nan 8.210 nan 0.000 0.572 368 K N 4.964 125.381 120.400 0.028 0.000 2.168 368 K HA 0.144 4.464 4.320 -0.001 0.000 0.258 368 K C 0.379 177.053 176.600 0.123 0.000 1.010 368 K CA -0.513 55.814 56.287 0.067 0.000 0.929 368 K CB 0.709 33.243 32.500 0.057 0.000 0.998 368 K HN 0.629 nan 8.250 nan 0.000 0.479 369 E N 0.068 120.281 120.200 0.022 0.000 2.349 369 E HA 0.158 4.508 4.350 -0.001 0.000 0.265 369 E C -0.820 175.663 176.600 -0.196 0.000 1.064 369 E CA -0.815 55.511 56.400 -0.124 0.000 0.886 369 E CB 0.915 30.554 29.700 -0.103 0.000 1.036 369 E HN 0.036 nan 8.360 nan 0.000 0.413 370 V N 3.362 122.920 119.914 -0.594 0.000 2.387 370 V HA 0.105 4.224 4.120 -0.001 0.000 0.260 370 V C 0.369 176.265 176.094 -0.330 0.000 1.054 370 V CA -0.242 61.582 62.300 -0.793 0.000 0.967 370 V CB 0.038 31.002 31.823 -1.432 0.000 1.036 370 V HN 0.830 nan 8.190 nan 0.000 0.481 371 T N 4.133 118.608 114.554 -0.133 0.000 2.909 371 T HA 0.641 4.991 4.350 -0.001 0.000 0.289 371 T C -0.387 174.282 174.700 -0.052 0.000 1.005 371 T CA -0.710 61.350 62.100 -0.066 0.000 1.084 371 T CB 1.431 70.291 68.868 -0.013 0.000 0.975 371 T HN 0.225 nan 8.240 nan 0.000 0.509 372 I N 2.728 123.274 120.570 -0.041 0.000 2.378 372 I HA 0.340 4.509 4.170 -0.001 0.000 0.291 372 I C 0.326 176.437 176.117 -0.011 0.000 0.992 372 I CA -0.955 60.327 61.300 -0.029 0.000 1.154 372 I CB 0.959 38.941 38.000 -0.029 0.000 1.315 372 I HN 0.787 nan 8.210 nan 0.000 0.448 373 N N 3.242 121.940 118.700 -0.004 0.000 2.493 373 N HA 0.394 5.134 4.740 -0.001 0.000 0.275 373 N C 1.180 176.693 175.510 0.004 0.000 1.186 373 N CA -0.392 52.660 53.050 0.004 0.000 0.978 373 N CB 1.541 40.034 38.487 0.010 0.000 1.184 373 N HN 0.699 nan 8.380 nan 0.000 0.487 374 A N 0.978 123.802 122.820 0.006 0.000 1.986 374 A HA -0.229 4.091 4.320 -0.001 0.000 0.220 374 A C 1.393 178.983 177.584 0.009 0.000 1.171 374 A CA 1.945 53.986 52.037 0.007 0.000 0.640 374 A CB -0.543 18.461 19.000 0.006 0.000 0.811 374 A HN 0.889 nan 8.150 nan 0.000 0.451 375 D N -1.512 118.893 120.400 0.008 0.000 2.349 375 D HA -0.025 4.615 4.640 -0.001 0.000 0.224 375 D C 0.939 177.249 176.300 0.016 0.000 1.029 375 D CA 1.410 55.416 54.000 0.010 0.000 0.879 375 D CB -0.951 39.852 40.800 0.005 0.000 0.906 375 D HN 0.793 nan 8.370 nan 0.000 0.528 376 T N -4.641 109.920 114.554 0.012 0.000 5.686 376 T HA -0.248 4.101 4.350 -0.001 0.000 0.270 376 T C 0.478 175.164 174.700 -0.024 0.000 2.203 376 T CA 1.241 63.341 62.100 -0.000 0.000 3.730 376 T CB -3.111 65.776 68.868 0.031 0.000 0.770 376 T HN 0.538 nan 8.240 nan 0.000 1.144 377 T N -0.853 113.705 114.554 0.006 0.000 2.788 377 T HA 0.682 5.032 4.350 -0.001 0.000 0.280 377 T C 0.923 175.635 174.700 0.020 0.000 0.984 377 T CA -0.316 61.802 62.100 0.031 0.000 0.972 377 T CB 1.348 70.249 68.868 0.056 0.000 1.039 377 T HN 0.597 nan 8.240 nan 0.000 0.530 378 c N 0.191 118.825 118.600 0.056 0.000 2.349 378 c HA 0.914 5.484 4.570 -0.001 0.000 0.361 378 c C 1.306 175.453 174.090 0.094 0.000 1.189 378 c CA -0.354 56.016 56.329 0.067 0.000 2.155 378 c CB 0.904 43.486 42.510 0.119 0.000 2.336 378 c HN 1.199 nan 8.230 nan 0.000 0.540 379 G N -0.062 108.798 108.800 0.100 0.000 3.016 379 G HA2 0.501 4.460 3.960 -0.001 0.000 0.270 379 G HA3 0.501 4.460 3.960 -0.001 0.000 0.270 379 G C -0.422 174.579 174.900 0.169 0.000 1.352 379 G CA -0.277 44.882 45.100 0.097 0.000 1.060 379 G HN 0.751 nan 8.290 nan 0.000 0.538 380 N N 0.561 119.312 118.700 0.084 0.000 2.740 380 N HA -0.144 4.596 4.740 -0.001 0.000 0.248 380 N C -0.124 175.278 175.510 -0.180 0.000 1.062 380 N CA 1.190 54.250 53.050 0.017 0.000 0.704 380 N CB -0.737 37.832 38.487 0.136 0.000 0.968 380 N HN 0.692 nan 8.380 nan 0.000 0.547 381 D N -4.081 116.256 120.400 -0.104 0.000 3.070 381 D HA -0.251 4.389 4.640 -0.001 0.000 0.220 381 D C -0.322 175.866 176.300 -0.186 0.000 1.176 381 D CA 1.137 55.048 54.000 -0.148 0.000 0.924 381 D CB -1.477 39.211 40.800 -0.187 0.000 1.124 381 D HN 0.588 nan 8.370 nan 0.000 0.411 382 W N 0.409 121.696 121.300 -0.020 0.000 2.322 382 W HA 0.379 5.039 4.660 -0.000 0.000 0.307 382 W C 1.619 178.137 176.519 -0.002 0.000 1.220 382 W CA -0.730 56.620 57.345 0.008 0.000 1.210 382 W CB 0.879 30.303 29.460 -0.060 0.000 1.223 382 W HN -0.196 nan 8.180 nan 0.000 0.511 383 V N 3.954 123.946 119.914 0.130 0.000 2.488 383 V HA -0.147 3.973 4.120 -0.001 0.000 0.246 383 V C 1.056 177.200 176.094 0.084 0.000 1.046 383 V CA 0.951 63.238 62.300 -0.022 0.000 1.053 383 V CB -0.578 30.955 31.823 -0.484 0.000 0.679 383 V HN 0.826 nan 8.190 nan 0.000 0.458 384 c N 1.544 120.237 118.600 0.156 0.000 3.896 384 c HA -0.141 4.429 4.570 -0.001 0.000 0.300 384 c C 1.428 175.398 174.090 -0.201 0.000 1.322 384 c CA 0.784 57.186 56.329 0.121 0.000 2.130 384 c CB -2.950 39.593 42.510 0.056 0.000 1.363 384 c HN 0.810 nan 8.230 nan 0.000 0.642 385 E N 0.465 120.435 120.200 -0.383 0.000 2.153 385 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 385 E C 1.979 178.362 176.600 -0.362 0.000 0.988 385 E CA 1.608 57.415 56.400 -0.988 0.000 0.811 385 E CB -0.166 29.100 29.700 -0.724 0.000 0.746 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N 0.195 119.193 119.070 -0.120 0.000 2.518 386 H HA 0.038 4.593 4.556 -0.001 0.000 0.289 386 H C 1.459 176.948 175.328 0.269 0.000 1.051 386 H CA 1.089 57.217 56.048 0.132 0.000 1.280 386 H CB -0.051 29.745 29.762 0.058 0.000 1.380 386 H HN 0.092 nan 8.280 nan 0.000 0.566 387 R N -0.770 119.501 120.500 -0.381 0.000 2.254 387 R HA 0.036 4.376 4.340 -0.001 0.000 0.195 387 R C 0.008 176.446 176.300 0.230 0.000 0.957 387 R CA -0.373 55.609 56.100 -0.197 0.000 1.024 387 R CB 0.189 30.175 30.300 -0.523 0.000 0.952 387 R HN 0.106 nan 8.270 nan 0.000 0.484 388 W N 2.115 123.446 121.300 0.050 0.000 2.409 388 W HA -0.034 4.626 4.660 -0.001 0.000 0.338 388 W C 1.599 178.186 176.519 0.113 0.000 1.273 388 W CA -0.315 57.082 57.345 0.085 0.000 1.299 388 W CB -0.046 29.485 29.460 0.119 0.000 1.192 388 W HN 0.117 nan 8.180 nan 0.000 0.565 389 R N 1.651 122.308 120.500 0.262 0.000 2.083 389 R HA -0.247 4.092 4.340 -0.001 0.000 0.237 389 R C 1.560 177.961 176.300 0.168 0.000 1.137 389 R CA 2.252 58.454 56.100 0.171 0.000 0.951 389 R CB 0.096 30.439 30.300 0.071 0.000 0.851 389 R HN 0.441 nan 8.270 nan 0.000 0.434 390 E N 0.040 120.343 120.200 0.171 0.000 2.160 390 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 390 E C 1.711 178.453 176.600 0.236 0.000 0.991 390 E CA 1.252 57.746 56.400 0.156 0.000 0.810 390 E CB -0.064 29.747 29.700 0.186 0.000 0.742 390 E HN 0.344 nan 8.360 nan 0.000 0.466 391 I N -0.234 120.517 120.570 0.302 0.000 2.731 391 I HA -0.031 4.138 4.170 -0.001 0.000 0.260 391 I C 2.249 178.507 176.117 0.234 0.000 1.138 391 I CA 0.622 62.070 61.300 0.247 0.000 1.461 391 I CB -0.250 37.894 38.000 0.240 0.000 1.128 391 I HN -0.033 nan 8.210 nan 0.000 0.438 392 R N 1.009 121.687 120.500 0.297 0.000 2.081 392 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 392 R C 1.467 177.889 176.300 0.203 0.000 1.131 392 R CA 1.553 57.844 56.100 0.318 0.000 0.960 392 R CB -0.212 30.315 30.300 0.378 0.000 0.856 392 R HN 0.324 nan 8.270 nan 0.000 0.436 393 N N -0.178 118.634 118.700 0.186 0.000 2.494 393 N HA -0.050 4.690 4.740 -0.001 0.000 0.182 393 N C 1.343 177.031 175.510 0.296 0.000 1.076 393 N CA 0.641 53.817 53.050 0.210 0.000 0.908 393 N CB 0.112 38.687 38.487 0.148 0.000 0.967 393 N HN 0.217 nan 8.380 nan 0.000 0.449 394 M N -0.049 119.678 119.600 0.211 0.000 2.435 394 M HA 0.057 4.537 4.480 -0.001 0.000 0.265 394 M C 2.056 178.460 176.300 0.173 0.000 1.104 394 M CA 0.507 55.921 55.300 0.190 0.000 1.140 394 M CB -0.733 31.919 32.600 0.086 0.000 1.372 394 M HN 0.007 nan 8.290 nan 0.000 0.456 395 V N -2.187 117.764 119.914 0.061 0.000 2.343 395 V HA -0.231 3.889 4.120 -0.001 0.000 0.247 395 V C 2.207 178.285 176.094 -0.026 0.000 1.051 395 V CA 1.438 63.677 62.300 -0.102 0.000 1.036 395 V CB -1.411 30.136 31.823 -0.461 0.000 0.654 395 V HN 0.574 nan 8.190 nan 0.000 0.451 396 W N 0.418 121.644 121.300 -0.123 0.000 2.338 396 W HA -0.243 4.417 4.660 -0.001 0.000 0.304 396 W C 2.456 178.886 176.519 -0.149 0.000 1.212 396 W CA 2.117 59.392 57.345 -0.117 0.000 1.264 396 W CB -0.460 28.982 29.460 -0.031 0.000 1.142 396 W HN 0.396 nan 8.180 nan 0.000 0.512 397 F N 1.471 121.430 119.950 0.014 0.000 2.095 397 F HA -0.261 4.266 4.527 0.000 0.000 0.298 397 F C 2.831 178.534 175.800 -0.162 0.000 1.104 397 F CA 2.825 60.760 58.000 -0.109 0.000 1.232 397 F CB -0.750 38.309 39.000 0.097 0.000 0.987 397 F HN -0.258 nan 8.300 nan 0.000 0.475 398 R N 0.537 121.161 120.500 0.207 0.000 2.091 398 R HA -0.202 4.138 4.340 -0.001 0.000 0.238 398 R C 2.022 178.243 176.300 -0.132 0.000 1.136 398 R CA 2.122 58.272 56.100 0.082 0.000 0.959 398 R CB -0.559 29.763 30.300 0.035 0.000 0.856 398 R HN 0.493 nan 8.270 nan 0.000 0.437 399 N N -0.635 117.915 118.700 -0.250 0.000 2.084 399 N HA -0.156 4.584 4.740 -0.001 0.000 0.190 399 N C 1.762 177.030 175.510 -0.404 0.000 1.030 399 N CA 1.406 54.244 53.050 -0.352 0.000 0.849 399 N CB 0.003 38.168 38.487 -0.536 0.000 1.012 399 N HN 0.006 nan 8.380 nan 0.000 0.423 400 V N 1.294 120.882 119.914 -0.544 0.000 2.332 400 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 400 V C 2.109 177.975 176.094 -0.379 0.000 1.055 400 V CA 1.615 63.603 62.300 -0.519 0.000 1.038 400 V CB -0.530 30.852 31.823 -0.734 0.000 0.651 400 V HN 0.365 nan 8.190 nan 0.000 0.450 401 V N -2.108 117.565 119.914 -0.401 0.000 3.633 401 V HA 0.239 4.358 4.120 -0.001 0.000 0.283 401 V C 0.612 176.630 176.094 -0.127 0.000 1.305 401 V CA -0.222 61.920 62.300 -0.263 0.000 1.153 401 V CB -0.524 31.119 31.823 -0.301 0.000 0.950 401 V HN 0.422 nan 8.190 nan 0.000 0.432 402 D N 1.659 121.979 120.400 -0.133 0.000 2.586 402 D HA 0.360 4.999 4.640 -0.001 0.000 0.234 402 D C 1.500 177.769 176.300 -0.052 0.000 1.132 402 D CA 2.138 56.093 54.000 -0.076 0.000 0.860 402 D CB 0.490 41.233 40.800 -0.094 0.000 1.159 402 D HN 0.593 nan 8.370 nan 0.000 0.490 403 G N 3.300 112.088 108.800 -0.020 0.000 2.299 403 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.237 403 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.237 403 G C 0.211 175.115 174.900 0.007 0.000 1.027 403 G CA 0.026 45.120 45.100 -0.010 0.000 0.619 403 G HN 0.582 nan 8.290 nan 0.000 0.513 404 Q N 2.132 121.936 119.800 0.006 0.000 2.311 404 Q HA 0.338 4.678 4.340 -0.001 0.000 0.272 404 Q C -2.040 174.002 176.000 0.071 0.000 1.012 404 Q CA -1.040 54.780 55.803 0.029 0.000 0.891 404 Q CB 1.175 29.921 28.738 0.014 0.000 1.201 404 Q HN 0.470 nan 8.270 nan 0.000 0.391 405 P HA 0.047 nan 4.420 nan 0.000 0.275 405 P C -0.367 177.048 177.300 0.191 0.000 1.227 405 P CA -0.464 62.713 63.100 0.128 0.000 0.781 405 P CB 0.428 32.193 31.700 0.110 0.000 0.906 406 F N 2.791 122.764 119.950 0.037 0.000 2.623 406 F HA 0.303 4.829 4.527 -0.001 0.000 0.383 406 F C -0.105 175.770 175.800 0.126 0.000 1.077 406 F CA 0.720 58.746 58.000 0.043 0.000 1.268 406 F CB -0.019 38.899 39.000 -0.137 0.000 1.053 406 F HN 0.630 nan 8.300 nan 0.000 0.571 407 A N 4.136 126.821 122.820 -0.225 0.000 2.564 407 A HA 0.445 4.765 4.320 -0.001 0.000 0.291 407 A C -0.038 177.559 177.584 0.021 0.000 1.102 407 A CA -0.531 51.496 52.037 -0.015 0.000 0.660 407 A CB 0.547 19.610 19.000 0.106 0.000 1.283 407 A HN 0.870 nan 8.150 nan 0.000 0.430 408 N N -0.416 118.380 118.700 0.161 0.000 2.727 408 N HA -0.155 4.585 4.740 -0.001 0.000 0.249 408 N C -0.259 175.460 175.510 0.348 0.000 1.048 408 N CA 1.226 54.422 53.050 0.242 0.000 0.714 408 N CB -0.784 37.840 38.487 0.227 0.000 0.959 408 N HN 0.693 nan 8.380 nan 0.000 0.544 409 W N 0.752 122.150 121.300 0.164 0.000 2.181 409 W HA 0.326 4.985 4.660 -0.001 0.000 0.335 409 W C -0.072 176.679 176.519 0.386 0.000 1.310 409 W CA -0.072 57.429 57.345 0.260 0.000 1.226 409 W CB 0.356 30.000 29.460 0.306 0.000 1.155 409 W HN 0.297 nan 8.180 nan 0.000 0.565 410 W N 7.304 128.182 121.300 -0.703 0.000 3.213 410 W HA 0.365 5.024 4.660 -0.000 0.000 0.318 410 W C -1.823 174.288 176.519 -0.680 0.000 1.248 410 W CA -0.618 56.475 57.345 -0.420 0.000 1.187 410 W CB 1.029 30.410 29.460 -0.132 0.000 1.403 410 W HN 0.482 nan 8.180 nan 0.000 0.556 411 D N 1.523 121.134 120.400 -1.315 0.000 2.623 411 D HA 0.217 4.856 4.640 -0.001 0.000 0.241 411 D C -0.408 175.021 176.300 -1.451 0.000 1.241 411 D CA -0.675 52.568 54.000 -1.262 0.000 0.788 411 D CB 1.104 41.669 40.800 -0.392 0.000 1.413 411 D HN 0.297 nan 8.370 nan 0.000 0.429 412 N N 0.756 118.846 118.700 -1.016 0.000 2.313 412 N HA 0.192 4.932 4.740 -0.001 0.000 0.207 412 N C 1.374 176.781 175.510 -0.171 0.000 1.141 412 N CA 0.273 53.036 53.050 -0.477 0.000 0.830 412 N CB 0.239 38.652 38.487 -0.123 0.000 1.008 412 N HN 1.065 nan 8.380 nan 0.000 0.481 413 G N -1.388 107.298 108.800 -0.189 0.000 2.184 413 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.264 413 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.264 413 G C 0.452 175.333 174.900 -0.031 0.000 0.975 413 G CA 0.758 45.830 45.100 -0.048 0.000 0.642 413 G HN 0.623 nan 8.290 nan 0.000 0.536 414 S N -1.115 114.547 115.700 -0.064 0.000 3.375 414 S HA 0.428 4.898 4.470 -0.001 0.000 0.178 414 S C 0.988 175.469 174.600 -0.199 0.000 0.868 414 S CA 0.585 58.746 58.200 -0.065 0.000 1.129 414 S CB 0.345 63.617 63.200 0.120 0.000 1.035 414 S HN 0.223 nan 8.310 nan 0.000 0.840 415 N N 1.289 119.842 118.700 -0.244 0.000 2.299 415 N HA 0.285 5.025 4.740 -0.001 0.000 0.246 415 N C -1.248 174.108 175.510 -0.256 0.000 1.254 415 N CA 0.057 52.936 53.050 -0.284 0.000 0.879 415 N CB 1.060 39.358 38.487 -0.314 0.000 1.214 415 N HN 0.474 nan 8.380 nan 0.000 0.510 416 Q N 1.036 120.703 119.800 -0.223 0.000 2.333 416 Q HA 0.543 4.883 4.340 -0.001 0.000 0.265 416 Q C -0.689 175.209 176.000 -0.170 0.000 0.989 416 Q CA -0.392 55.351 55.803 -0.099 0.000 0.842 416 Q CB 2.759 31.521 28.738 0.040 0.000 1.262 416 Q HN -0.124 nan 8.270 nan 0.000 0.451 417 V N 0.599 120.494 119.914 -0.032 0.000 3.160 417 V HA 0.955 5.075 4.120 -0.001 0.000 0.310 417 V C -1.079 175.034 176.094 0.032 0.000 1.181 417 V CA -0.809 61.387 62.300 -0.174 0.000 1.047 417 V CB 2.213 33.847 31.823 -0.316 0.000 1.068 417 V HN 0.854 nan 8.190 nan 0.000 0.441 418 A N 1.979 124.688 122.820 -0.186 0.000 2.599 418 A HA 0.960 5.280 4.320 -0.001 0.000 0.294 418 A C -1.569 175.869 177.584 -0.243 0.000 1.055 418 A CA -0.434 51.443 52.037 -0.266 0.000 0.683 418 A CB 1.757 20.623 19.000 -0.223 0.000 1.278 418 A HN 1.915 nan 8.150 nan 0.000 0.412 419 F N -0.841 118.811 119.950 -0.497 0.000 2.770 419 F HA 0.845 5.372 4.527 -0.001 0.000 0.313 419 F C -0.124 175.485 175.800 -0.319 0.000 1.154 419 F CA -0.279 57.556 58.000 -0.274 0.000 0.923 419 F CB 0.640 39.546 39.000 -0.157 0.000 1.301 419 F HN 1.247 nan 8.300 nan 0.000 0.449 420 G N 0.614 109.553 108.800 0.231 0.000 2.816 420 G HA2 0.671 4.631 3.960 -0.001 0.000 0.288 420 G HA3 0.671 4.631 3.960 -0.001 0.000 0.288 420 G C -1.586 173.481 174.900 0.278 0.000 1.334 420 G CA -1.312 43.958 45.100 0.284 0.000 0.978 420 G HN 0.601 nan 8.290 nan 0.000 0.493 421 R N 0.342 120.984 120.500 0.236 0.000 2.402 421 R HA 0.482 4.821 4.340 -0.001 0.000 0.290 421 R C 0.869 177.226 176.300 0.094 0.000 1.321 421 R CA 0.091 56.295 56.100 0.174 0.000 1.283 421 R CB 0.234 30.627 30.300 0.155 0.000 1.111 421 R HN 1.316 nan 8.270 nan 0.000 0.578 422 G N 3.339 112.196 108.800 0.095 0.000 2.611 422 G HA2 -0.421 3.539 3.960 -0.001 0.000 0.301 422 G HA3 -0.421 3.539 3.960 -0.001 0.000 0.301 422 G C 0.399 175.330 174.900 0.051 0.000 1.233 422 G CA 0.534 45.672 45.100 0.063 0.000 0.993 422 G HN 0.635 nan 8.290 nan 0.000 0.553 423 N N 0.829 119.545 118.700 0.027 0.000 2.234 423 N HA 0.130 4.870 4.740 -0.001 0.000 0.227 423 N C 1.455 176.974 175.510 0.015 0.000 1.151 423 N CA 0.196 53.256 53.050 0.017 0.000 0.865 423 N CB 0.431 38.926 38.487 0.012 0.000 1.066 423 N HN 0.678 nan 8.380 nan 0.000 0.515 424 R N -0.539 119.960 120.500 -0.001 0.000 2.365 424 R HA 0.296 4.636 4.340 -0.001 0.000 0.223 424 R C 0.165 176.425 176.300 -0.066 0.000 0.899 424 R CA 0.289 56.372 56.100 -0.029 0.000 1.059 424 R CB 1.005 31.257 30.300 -0.081 0.000 1.086 424 R HN 0.210 nan 8.270 nan 0.000 0.522 425 G N 0.476 109.255 108.800 -0.035 0.000 2.733 425 G HA2 0.416 4.376 3.960 -0.001 0.000 0.297 425 G HA3 0.416 4.376 3.960 -0.001 0.000 0.297 425 G C -2.109 172.953 174.900 0.271 0.000 1.452 425 G CA -0.479 44.611 45.100 -0.018 0.000 0.940 425 G HN 0.012 nan 8.290 nan 0.000 0.547 426 F N 2.163 122.205 119.950 0.154 0.000 2.576 426 F HA 0.848 5.375 4.527 -0.000 0.000 0.313 426 F C -1.166 174.600 175.800 -0.057 0.000 1.078 426 F CA -1.451 56.558 58.000 0.015 0.000 0.921 426 F CB 2.065 41.018 39.000 -0.078 0.000 1.232 426 F HN 0.423 nan 8.300 nan 0.000 0.459 427 I N 5.722 125.644 120.570 -1.080 0.000 2.656 427 I HA 0.555 4.725 4.170 -0.001 0.000 0.292 427 I C -1.970 173.438 176.117 -1.182 0.000 1.144 427 I CA -0.824 59.895 61.300 -0.969 0.000 1.038 427 I CB 1.824 39.273 38.000 -0.920 0.000 1.244 427 I HN 0.444 nan 8.210 nan 0.000 0.420 428 V N 8.028 127.391 119.914 -0.918 0.000 2.577 428 V HA 0.620 4.740 4.120 -0.001 0.000 0.303 428 V C -1.613 174.184 176.094 -0.495 0.000 1.042 428 V CA -0.314 61.574 62.300 -0.687 0.000 0.872 428 V CB 1.931 33.253 31.823 -0.834 0.000 0.998 428 V HN 0.506 nan 8.190 nan 0.000 0.423 429 F N 4.987 124.835 119.950 -0.168 0.000 2.495 429 F HA 0.577 5.104 4.527 -0.001 0.000 0.327 429 F C 0.203 175.961 175.800 -0.071 0.000 1.103 429 F CA -0.634 57.314 58.000 -0.086 0.000 0.949 429 F CB 1.927 40.826 39.000 -0.168 0.000 1.142 429 F HN 0.525 nan 8.300 nan 0.000 0.457 430 N N 2.106 120.882 118.700 0.126 0.000 2.626 430 N HA 0.162 4.901 4.740 -0.001 0.000 0.242 430 N C -0.568 174.908 175.510 -0.057 0.000 1.005 430 N CA -0.218 52.837 53.050 0.007 0.000 0.905 430 N CB 0.447 38.933 38.487 -0.003 0.000 1.128 430 N HN 0.582 nan 8.380 nan 0.000 0.512 431 N N 1.992 120.606 118.700 -0.143 0.000 2.234 431 N HA 0.140 4.880 4.740 -0.001 0.000 0.227 431 N C -0.913 174.429 175.510 -0.280 0.000 1.151 431 N CA -0.167 52.773 53.050 -0.184 0.000 0.865 431 N CB 0.344 38.706 38.487 -0.208 0.000 1.066 431 N HN 0.465 nan 8.380 nan 0.000 0.515 432 D N -0.494 119.646 120.400 -0.433 0.000 2.388 432 D HA 0.133 4.772 4.640 -0.001 0.000 0.254 432 D C -0.306 175.683 176.300 -0.519 0.000 1.111 432 D CA -0.154 53.424 54.000 -0.704 0.000 0.993 432 D CB 0.892 40.758 40.800 -1.556 0.000 1.118 432 D HN 0.082 nan 8.370 nan 0.000 0.502 433 D N 0.678 120.844 120.400 -0.391 0.000 2.519 433 D HA 0.149 4.788 4.640 -0.001 0.000 0.238 433 D C -0.282 176.104 176.300 0.144 0.000 1.192 433 D CA -0.059 53.907 54.000 -0.057 0.000 0.835 433 D CB -0.158 40.686 40.800 0.073 0.000 0.975 433 D HN 0.285 nan 8.370 nan 0.000 0.490 434 W N -0.777 120.539 121.300 0.026 0.000 3.137 434 W HA 0.364 5.024 4.660 -0.001 0.000 0.324 434 W C -0.613 175.932 176.519 0.043 0.000 1.253 434 W CA -1.012 56.352 57.345 0.031 0.000 1.183 434 W CB 0.281 29.759 29.460 0.029 0.000 1.424 434 W HN -0.421 nan 8.180 nan 0.000 0.566 435 Q N 2.671 122.679 119.800 0.346 0.000 2.304 435 Q HA 0.098 4.438 4.340 -0.001 0.000 0.301 435 Q C -0.810 175.364 176.000 0.290 0.000 1.063 435 Q CA 0.200 56.143 55.803 0.234 0.000 0.947 435 Q CB 0.885 29.736 28.738 0.189 0.000 1.201 435 Q HN 0.801 nan 8.270 nan 0.000 0.389 436 L N 2.339 123.665 121.223 0.172 0.000 2.307 436 L HA 0.537 4.877 4.340 -0.001 0.000 0.284 436 L C -0.883 176.087 176.870 0.167 0.000 1.023 436 L CA -0.135 54.821 54.840 0.193 0.000 0.810 436 L CB 1.686 43.824 42.059 0.131 0.000 1.231 436 L HN 0.580 nan 8.230 nan 0.000 0.423 437 S N 3.431 119.238 115.700 0.179 0.000 2.599 437 S HA 0.665 5.134 4.470 -0.001 0.000 0.269 437 S C -1.308 173.354 174.600 0.103 0.000 1.135 437 S CA -0.336 57.938 58.200 0.124 0.000 1.027 437 S CB 1.149 64.413 63.200 0.108 0.000 1.129 437 S HN 0.785 nan 8.310 nan 0.000 0.458 438 S N 2.199 117.926 115.700 0.046 0.000 2.552 438 S HA 0.543 5.013 4.470 -0.001 0.000 0.272 438 S C -1.155 173.414 174.600 -0.052 0.000 1.150 438 S CA -0.604 57.578 58.200 -0.030 0.000 0.849 438 S CB 2.014 65.110 63.200 -0.172 0.000 1.113 438 S HN 0.706 nan 8.310 nan 0.000 0.458 439 T N 3.147 117.660 114.554 -0.069 0.000 2.729 439 T HA 0.543 4.893 4.350 -0.001 0.000 0.296 439 T C -0.837 173.785 174.700 -0.129 0.000 0.928 439 T CA -0.141 61.918 62.100 -0.067 0.000 1.045 439 T CB -0.127 68.712 68.868 -0.050 0.000 0.902 439 T HN 0.217 nan 8.240 nan 0.000 0.500 440 L N 3.251 124.423 121.223 -0.085 0.000 2.342 440 L HA 0.495 4.835 4.340 -0.001 0.000 0.271 440 L C 0.172 176.905 176.870 -0.229 0.000 1.008 440 L CA -0.869 53.858 54.840 -0.190 0.000 0.818 440 L CB 1.730 43.677 42.059 -0.187 0.000 1.296 440 L HN 0.418 nan 8.230 nan 0.000 0.427 441 Q N 0.478 120.128 119.800 -0.250 0.000 2.452 441 Q HA 0.143 4.483 4.340 -0.001 0.000 0.230 441 Q C 0.973 176.649 176.000 -0.541 0.000 1.180 441 Q CA 0.435 56.077 55.803 -0.269 0.000 0.914 441 Q CB 0.613 29.280 28.738 -0.119 0.000 1.408 441 Q HN 0.756 nan 8.270 nan 0.000 0.520 442 T N 0.334 114.431 114.554 -0.761 0.000 3.035 442 T HA 0.081 4.431 4.350 -0.001 0.000 0.268 442 T C 1.375 175.767 174.700 -0.514 0.000 1.109 442 T CA 0.784 62.150 62.100 -1.224 0.000 1.119 442 T CB -0.256 68.104 68.868 -0.847 0.000 0.900 442 T HN 0.974 nan 8.240 nan 0.000 0.503 443 G N 0.597 109.230 108.800 -0.278 0.000 2.184 443 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.264 443 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.264 443 G C -0.224 174.622 174.900 -0.091 0.000 0.975 443 G CA 0.333 45.364 45.100 -0.115 0.000 0.642 443 G HN 0.628 nan 8.290 nan 0.000 0.536 444 L N 0.861 121.993 121.223 -0.152 0.000 2.344 444 L HA 0.654 4.994 4.340 -0.001 0.000 0.272 444 L C -1.800 175.036 176.870 -0.058 0.000 1.035 444 L CA -2.204 52.571 54.840 -0.108 0.000 0.807 444 L CB 1.021 42.930 42.059 -0.250 0.000 1.237 444 L HN -0.170 nan 8.230 nan 0.000 0.442 445 P HA 0.134 nan 4.420 nan 0.000 0.268 445 P C -0.037 177.310 177.300 0.079 0.000 1.208 445 P CA -0.233 62.897 63.100 0.050 0.000 0.777 445 P CB 0.422 32.167 31.700 0.075 0.000 0.875 446 G N 0.630 109.427 108.800 -0.004 0.000 2.664 446 G HA2 0.469 4.428 3.960 -0.001 0.000 0.242 446 G HA3 0.469 4.428 3.960 -0.001 0.000 0.242 446 G C 0.160 175.042 174.900 -0.030 0.000 1.225 446 G CA 0.385 45.446 45.100 -0.065 0.000 0.849 446 G HN 0.819 nan 8.290 nan 0.000 0.581 447 G N -1.350 107.368 108.800 -0.137 0.000 2.346 447 G HA2 0.375 4.334 3.960 -0.001 0.000 0.294 447 G HA3 0.375 4.334 3.960 -0.001 0.000 0.294 447 G C -0.627 174.224 174.900 -0.081 0.000 1.294 447 G CA -0.235 44.787 45.100 -0.131 0.000 0.962 447 G HN 0.926 nan 8.290 nan 0.000 0.508 448 T N 0.849 115.345 114.554 -0.097 0.000 2.767 448 T HA 0.657 5.007 4.350 -0.001 0.000 0.284 448 T C -1.073 173.535 174.700 -0.153 0.000 0.973 448 T CA 0.171 62.278 62.100 0.011 0.000 0.996 448 T CB 0.820 69.713 68.868 0.041 0.000 0.927 448 T HN 0.421 nan 8.240 nan 0.000 0.456 449 Y N 0.433 120.709 120.300 -0.040 0.000 2.446 449 Y HA 0.420 4.969 4.550 -0.001 0.000 0.345 449 Y C 0.365 176.236 175.900 -0.050 0.000 0.984 449 Y CA -1.095 56.975 58.100 -0.049 0.000 1.058 449 Y CB 1.224 39.658 38.460 -0.043 0.000 1.220 449 Y HN 0.576 nan 8.280 nan 0.000 0.455 450 c N 2.018 120.659 118.600 0.068 0.000 2.527 450 c HA 0.148 4.718 4.570 -0.001 0.000 0.396 450 c C 0.277 174.374 174.090 0.013 0.000 1.289 450 c CA -0.611 55.726 56.329 0.013 0.000 2.047 450 c CB -0.185 42.304 42.510 -0.035 0.000 2.568 450 c HN 0.725 nan 8.230 nan 0.000 0.573 451 D N 1.658 122.057 120.400 -0.002 0.000 2.336 451 D HA 0.153 4.793 4.640 -0.001 0.000 0.249 451 D C 1.029 177.295 176.300 -0.057 0.000 1.213 451 D CA -0.352 53.635 54.000 -0.021 0.000 0.870 451 D CB 0.969 41.747 40.800 -0.037 0.000 1.076 451 D HN 0.430 nan 8.370 nan 0.000 0.483 452 V N 2.741 122.624 119.914 -0.051 0.000 3.305 452 V HA -0.058 4.062 4.120 -0.001 0.000 0.269 452 V C 1.629 177.678 176.094 -0.075 0.000 1.157 452 V CA 0.484 62.763 62.300 -0.036 0.000 1.157 452 V CB -0.679 31.177 31.823 0.056 0.000 0.772 452 V HN 0.506 nan 8.190 nan 0.000 0.498 453 I N 2.235 122.699 120.570 -0.178 0.000 2.400 453 I HA -0.036 4.133 4.170 -0.001 0.000 0.248 453 I C 2.597 178.582 176.117 -0.219 0.000 1.109 453 I CA 1.966 63.084 61.300 -0.302 0.000 1.425 453 I CB -1.039 36.551 38.000 -0.682 0.000 1.094 453 I HN 0.630 nan 8.210 nan 0.000 0.425 454 S N -0.427 115.166 115.700 -0.178 0.000 2.575 454 S HA 0.418 4.888 4.470 -0.001 0.000 0.215 454 S C 0.850 175.401 174.600 -0.082 0.000 0.966 454 S CA 0.268 58.393 58.200 -0.126 0.000 0.911 454 S CB 0.129 63.262 63.200 -0.112 0.000 0.780 454 S HN 0.466 nan 8.310 nan 0.000 0.514 455 G N -0.258 108.499 108.800 -0.071 0.000 2.341 455 G HA2 0.436 4.396 3.960 -0.001 0.000 0.299 455 G HA3 0.436 4.396 3.960 -0.001 0.000 0.299 455 G C -2.432 172.440 174.900 -0.047 0.000 1.274 455 G CA -0.688 44.381 45.100 -0.051 0.000 0.853 455 G HN 0.195 nan 8.290 nan 0.000 0.493 456 D N -0.525 119.847 120.400 -0.047 0.000 2.566 456 D HA 0.400 5.039 4.640 -0.001 0.000 0.254 456 D C -0.863 175.401 176.300 -0.060 0.000 1.090 456 D CA -0.602 53.363 54.000 -0.059 0.000 1.034 456 D CB 2.668 43.430 40.800 -0.064 0.000 1.434 456 D HN 0.413 nan 8.370 nan 0.000 0.509 457 K N 1.383 121.739 120.400 -0.073 0.000 2.281 457 K HA 0.383 4.703 4.320 -0.001 0.000 0.272 457 K C -0.982 175.580 176.600 -0.064 0.000 1.048 457 K CA -0.533 55.716 56.287 -0.064 0.000 0.898 457 K CB 0.707 33.168 32.500 -0.065 0.000 1.128 457 K HN 0.278 nan 8.250 nan 0.000 0.460 458 V N 1.935 121.819 119.914 -0.050 0.000 2.409 458 V HA 0.701 4.821 4.120 -0.001 0.000 0.291 458 V C 0.734 176.807 176.094 -0.035 0.000 1.020 458 V CA 0.100 62.374 62.300 -0.043 0.000 0.848 458 V CB 0.442 32.244 31.823 -0.036 0.000 0.990 458 V HN 1.035 nan 8.190 nan 0.000 0.430 459 G N 4.901 113.682 108.800 -0.031 0.000 2.634 459 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.318 459 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.318 459 G C 0.559 175.442 174.900 -0.028 0.000 1.207 459 G CA 0.813 45.898 45.100 -0.025 0.000 0.987 459 G HN 1.850 nan 8.290 nan 0.000 0.547 460 N N 0.878 119.562 118.700 -0.027 0.000 2.467 460 N HA 0.387 5.127 4.740 -0.001 0.000 0.278 460 N C 0.059 175.549 175.510 -0.033 0.000 1.306 460 N CA 0.912 53.943 53.050 -0.031 0.000 0.905 460 N CB 0.645 39.115 38.487 -0.027 0.000 1.236 460 N HN 1.361 nan 8.380 nan 0.000 0.509 461 S N -0.809 114.871 115.700 -0.034 0.000 2.651 461 S HA 0.647 5.116 4.470 -0.001 0.000 0.279 461 S C -0.927 173.651 174.600 -0.036 0.000 1.148 461 S CA -0.608 57.572 58.200 -0.033 0.000 0.837 461 S CB 1.440 64.623 63.200 -0.028 0.000 1.138 461 S HN 0.203 nan 8.310 nan 0.000 0.478 462 c N 1.674 120.254 118.600 -0.034 0.000 2.411 462 c HA 0.715 5.285 4.570 -0.001 0.000 0.330 462 c C 2.008 176.079 174.090 -0.033 0.000 1.224 462 c CA 0.010 56.319 56.329 -0.035 0.000 1.770 462 c CB 0.968 43.460 42.510 -0.030 0.000 2.297 462 c HN 1.080 nan 8.230 nan 0.000 0.507 463 T N -0.891 113.642 114.554 -0.035 0.000 3.081 463 T HA 0.303 4.652 4.350 -0.001 0.000 0.255 463 T C 0.814 175.493 174.700 -0.034 0.000 1.113 463 T CA 0.715 62.795 62.100 -0.033 0.000 1.082 463 T CB 0.148 68.997 68.868 -0.032 0.000 0.939 463 T HN 0.882 nan 8.240 nan 0.000 0.506 464 G N 1.194 109.972 108.800 -0.037 0.000 3.252 464 G HA2 0.577 4.537 3.960 -0.001 0.000 0.181 464 G HA3 0.577 4.537 3.960 -0.001 0.000 0.181 464 G C -0.722 174.156 174.900 -0.036 0.000 1.187 464 G CA -1.036 44.039 45.100 -0.041 0.000 0.886 464 G HN 0.230 nan 8.290 nan 0.000 0.615 465 I N 0.891 121.438 120.570 -0.040 0.000 2.815 465 I HA 0.163 4.333 4.170 -0.001 0.000 0.291 465 I C 0.400 176.505 176.117 -0.019 0.000 1.209 465 I CA 0.414 61.695 61.300 -0.031 0.000 1.431 465 I CB 0.281 38.261 38.000 -0.032 0.000 1.351 465 I HN 0.284 nan 8.210 nan 0.000 0.585 466 K N 4.093 124.485 120.400 -0.015 0.000 2.207 466 K HA 0.651 4.970 4.320 -0.001 0.000 0.255 466 K C -1.144 175.457 176.600 0.001 0.000 0.941 466 K CA -0.711 55.579 56.287 0.005 0.000 0.825 466 K CB 2.387 34.891 32.500 0.007 0.000 1.119 466 K HN 0.295 nan 8.250 nan 0.000 0.430 467 V N 3.280 123.212 119.914 0.031 0.000 2.448 467 V HA 0.203 4.323 4.120 -0.001 0.000 0.295 467 V C -1.179 174.949 176.094 0.056 0.000 1.025 467 V CA -0.882 61.395 62.300 -0.039 0.000 0.859 467 V CB 1.142 32.920 31.823 -0.076 0.000 0.988 467 V HN 0.650 nan 8.190 nan 0.000 0.431 468 Y N 5.715 125.939 120.300 -0.126 0.000 2.491 468 Y HA 0.604 5.154 4.550 -0.000 0.000 0.334 468 Y C -0.102 175.738 175.900 -0.099 0.000 0.969 468 Y CA -0.808 57.252 58.100 -0.066 0.000 1.241 468 Y CB 1.540 39.951 38.460 -0.082 0.000 1.105 468 Y HN 0.530 nan 8.280 nan 0.000 0.503 469 V N 5.786 125.450 119.914 -0.418 0.000 2.407 469 V HA 0.632 4.752 4.120 -0.001 0.000 0.278 469 V C -0.046 175.692 176.094 -0.593 0.000 1.037 469 V CA 0.064 62.119 62.300 -0.408 0.000 0.900 469 V CB 0.562 32.211 31.823 -0.291 0.000 0.983 469 V HN 0.859 nan 8.190 nan 0.000 0.459 470 S N 4.207 119.633 115.700 -0.455 0.000 2.661 470 S HA 0.271 4.741 4.470 -0.001 0.000 0.265 470 S C 1.599 176.083 174.600 -0.193 0.000 1.225 470 S CA 0.044 58.032 58.200 -0.353 0.000 0.986 470 S CB 0.980 64.118 63.200 -0.103 0.000 1.008 470 S HN 1.745 nan 8.310 nan 0.000 0.565 471 S N 0.781 116.414 115.700 -0.113 0.000 2.392 471 S HA -0.251 4.219 4.470 -0.001 0.000 0.232 471 S C 1.181 175.743 174.600 -0.064 0.000 1.041 471 S CA 1.579 59.738 58.200 -0.069 0.000 1.026 471 S CB -1.212 61.967 63.200 -0.034 0.000 0.845 471 S HN 0.921 nan 8.310 nan 0.000 0.465 472 D N 0.638 121.000 120.400 -0.064 0.000 2.352 472 D HA 0.247 4.886 4.640 -0.001 0.000 0.232 472 D C 1.452 177.702 176.300 -0.082 0.000 1.055 472 D CA 0.671 54.637 54.000 -0.057 0.000 0.891 472 D CB -0.734 40.041 40.800 -0.042 0.000 0.897 472 D HN 0.657 nan 8.370 nan 0.000 0.529 473 G N 0.113 108.845 108.800 -0.113 0.000 2.267 473 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.257 473 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.257 473 G C 0.581 175.360 174.900 -0.201 0.000 0.998 473 G CA 0.685 45.694 45.100 -0.152 0.000 0.620 473 G HN 0.847 nan 8.290 nan 0.000 0.529 474 T N -1.077 113.379 114.554 -0.164 0.000 2.910 474 T HA 0.831 5.181 4.350 -0.001 0.000 0.293 474 T C 0.078 174.668 174.700 -0.184 0.000 1.015 474 T CA 0.778 62.777 62.100 -0.168 0.000 1.094 474 T CB 2.081 70.883 68.868 -0.109 0.000 0.968 474 T HN 1.958 nan 8.240 nan 0.000 0.521 475 A N 1.707 124.411 122.820 -0.194 0.000 2.587 475 A HA 0.683 5.002 4.320 -0.001 0.000 0.293 475 A C -0.807 176.584 177.584 -0.321 0.000 1.087 475 A CA -1.042 50.827 52.037 -0.281 0.000 0.692 475 A CB 1.838 20.580 19.000 -0.431 0.000 1.291 475 A HN 0.886 nan 8.150 nan 0.000 0.407 476 Q N 0.033 119.607 119.800 -0.375 0.000 2.235 476 Q HA 0.725 5.064 4.340 -0.001 0.000 0.250 476 Q C -1.932 173.743 176.000 -0.541 0.000 0.909 476 Q CA 0.166 55.798 55.803 -0.285 0.000 0.910 476 Q CB 0.609 29.258 28.738 -0.149 0.000 1.223 476 Q HN 0.467 nan 8.270 nan 0.000 0.432 477 F N 1.217 121.124 119.950 -0.073 0.000 2.539 477 F HA 0.501 5.028 4.527 -0.001 0.000 0.318 477 F C -0.571 175.205 175.800 -0.040 0.000 1.135 477 F CA -0.614 57.350 58.000 -0.060 0.000 0.915 477 F CB 2.558 41.509 39.000 -0.081 0.000 1.176 477 F HN 0.420 nan 8.300 nan 0.000 0.440 478 S N 4.651 120.432 115.700 0.134 0.000 2.756 478 S HA 0.671 5.141 4.470 -0.001 0.000 0.303 478 S C -0.763 173.888 174.600 0.086 0.000 1.135 478 S CA -0.462 57.794 58.200 0.093 0.000 1.066 478 S CB 0.710 63.938 63.200 0.048 0.000 1.008 478 S HN 0.413 nan 8.310 nan 0.000 0.482 479 I N 2.342 122.964 120.570 0.087 0.000 2.439 479 I HA 0.335 4.505 4.170 -0.001 0.000 0.285 479 I C 0.215 176.365 176.117 0.055 0.000 1.021 479 I CA -0.538 60.798 61.300 0.060 0.000 1.091 479 I CB 1.952 39.983 38.000 0.053 0.000 1.242 479 I HN 0.516 nan 8.210 nan 0.000 0.439 480 S N 5.241 120.967 115.700 0.043 0.000 2.528 480 S HA 0.051 4.521 4.470 -0.001 0.000 0.277 480 S C 1.506 176.123 174.600 0.029 0.000 1.297 480 S CA -0.636 57.590 58.200 0.044 0.000 1.052 480 S CB 0.464 63.686 63.200 0.037 0.000 0.917 480 S HN 0.763 nan 8.310 nan 0.000 0.492 481 N N 3.500 122.214 118.700 0.024 0.000 2.417 481 N HA -0.147 4.593 4.740 -0.001 0.000 0.187 481 N C 0.975 176.490 175.510 0.007 0.000 1.027 481 N CA 1.334 54.379 53.050 -0.008 0.000 0.891 481 N CB -0.479 37.993 38.487 -0.024 0.000 0.956 481 N HN 0.588 nan 8.380 nan 0.000 0.442 482 S N -1.580 114.133 115.700 0.021 0.000 2.574 482 S HA 0.592 5.062 4.470 -0.001 0.000 0.242 482 S C 0.620 175.229 174.600 0.015 0.000 0.982 482 S CA -0.532 57.680 58.200 0.019 0.000 0.977 482 S CB 0.031 63.246 63.200 0.024 0.000 0.814 482 S HN 0.525 nan 8.310 nan 0.000 0.464 483 A N 2.282 125.111 122.820 0.015 0.000 2.346 483 A HA 0.434 4.754 4.320 -0.001 0.000 0.252 483 A C 1.645 179.232 177.584 0.006 0.000 1.089 483 A CA -0.022 52.018 52.037 0.006 0.000 0.797 483 A CB 0.275 19.276 19.000 0.002 0.000 1.047 483 A HN 0.493 nan 8.150 nan 0.000 0.494 484 E N 0.444 120.639 120.200 -0.009 0.000 2.072 484 E HA -0.131 4.219 4.350 -0.001 0.000 0.191 484 E C -0.738 175.867 176.600 0.007 0.000 0.985 484 E CA 1.332 57.725 56.400 -0.012 0.000 0.801 484 E CB -0.109 29.569 29.700 -0.037 0.000 0.750 484 E HN 0.567 nan 8.360 nan 0.000 0.452 485 D N 2.129 122.524 120.400 -0.008 0.000 2.389 485 D HA 0.178 4.817 4.640 -0.001 0.000 0.256 485 D C -2.226 174.099 176.300 0.043 0.000 1.239 485 D CA -1.569 52.449 54.000 0.029 0.000 0.925 485 D CB 1.869 42.584 40.800 -0.142 0.000 1.145 485 D HN 0.083 nan 8.370 nan 0.000 0.542 486 P HA 0.025 nan 4.420 nan 0.000 0.285 486 P C -0.561 176.880 177.300 0.236 0.000 1.521 486 P CA 0.069 63.257 63.100 0.147 0.000 0.792 486 P CB -0.876 30.889 31.700 0.108 0.000 1.613 487 F N -1.924 117.949 119.950 -0.128 0.000 2.668 487 F HA 0.691 5.217 4.527 -0.001 0.000 0.309 487 F C -1.434 174.195 175.800 -0.286 0.000 1.117 487 F CA -1.744 56.077 58.000 -0.299 0.000 0.951 487 F CB 1.144 39.801 39.000 -0.572 0.000 1.323 487 F HN -0.360 nan 8.300 nan 0.000 0.451 488 I N 2.121 122.503 120.570 -0.314 0.000 2.608 488 I HA 0.805 4.975 4.170 -0.001 0.000 0.295 488 I C -0.883 175.061 176.117 -0.289 0.000 1.049 488 I CA -1.132 60.001 61.300 -0.277 0.000 1.063 488 I CB 2.209 40.192 38.000 -0.029 0.000 1.248 488 I HN 0.989 nan 8.210 nan 0.000 0.424 489 A N 7.000 129.702 122.820 -0.198 0.000 2.455 489 A HA 0.926 5.246 4.320 -0.001 0.000 0.300 489 A C -1.041 176.580 177.584 0.063 0.000 1.040 489 A CA -0.471 51.498 52.037 -0.114 0.000 0.697 489 A CB 1.537 20.422 19.000 -0.192 0.000 1.265 489 A HN 0.691 nan 8.150 nan 0.000 0.407 490 I N -0.299 120.381 120.570 0.184 0.000 2.802 490 I HA 0.913 5.082 4.170 -0.001 0.000 0.298 490 I C -0.783 175.480 176.117 0.242 0.000 1.176 490 I CA -0.946 60.437 61.300 0.139 0.000 1.025 490 I CB 2.452 40.486 38.000 0.057 0.000 1.243 490 I HN 0.975 nan 8.210 nan 0.000 0.424 491 H N 2.748 121.960 119.070 0.237 0.000 2.960 491 H HA 0.751 5.306 4.556 -0.001 0.000 0.323 491 H C 0.439 175.907 175.328 0.234 0.000 1.326 491 H CA -0.355 55.759 56.048 0.109 0.000 1.124 491 H CB 1.069 30.768 29.762 -0.105 0.000 1.853 491 H HN 0.685 nan 8.280 nan 0.000 0.536 492 A N 0.203 123.262 122.820 0.399 0.000 1.940 492 A HA -0.249 4.071 4.320 -0.001 0.000 0.221 492 A C 1.441 179.211 177.584 0.310 0.000 1.190 492 A CA 2.164 54.390 52.037 0.314 0.000 0.647 492 A CB -0.906 18.181 19.000 0.145 0.000 0.821 492 A HN 0.803 nan 8.150 nan 0.000 0.457 493 E N -0.359 120.169 120.200 0.547 0.000 2.465 493 E HA 0.018 4.368 4.350 -0.001 0.000 0.191 493 E C 1.478 178.237 176.600 0.264 0.000 1.053 493 E CA 0.528 57.183 56.400 0.425 0.000 0.869 493 E CB 0.045 30.096 29.700 0.585 0.000 0.977 493 E HN 0.777 nan 8.360 nan 0.000 0.483 494 S N 0.111 115.818 115.700 0.012 0.000 2.524 494 S HA 0.073 4.543 4.470 -0.001 0.000 0.215 494 S C 0.820 175.366 174.600 -0.091 0.000 0.986 494 S CA -0.372 57.747 58.200 -0.134 0.000 0.911 494 S CB 0.164 63.140 63.200 -0.372 0.000 0.805 494 S HN -0.019 nan 8.310 nan 0.000 0.501 495 K N 1.063 121.368 120.400 -0.158 0.000 2.382 495 K HA 0.227 4.547 4.320 -0.001 0.000 0.275 495 K C -0.522 175.903 176.600 -0.291 0.000 1.009 495 K CA -0.411 55.560 56.287 -0.526 0.000 0.970 495 K CB 0.288 32.279 32.500 -0.849 0.000 0.934 495 K HN 0.150 nan 8.250 nan 0.000 0.479 496 L N 0.000 121.054 121.223 -0.281 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 496 L CA 0.000 54.746 54.840 -0.157 0.000 0.813 496 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502