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 2zsm_1_A DATA FIRST_RESID 4 DATA SEQUENCE DVLASGEKSR MLFERTKELF PGGVNSPVRA AVKPYPFYVK RGEGAYLYTV DATA SEQUENCE DGARIVDLVL AYGPLILGHK HPRVLEAVEE ALARGWLYGA PGEAEVLLAE DATA SEQUENCE KILGYVKRGG MIRFVNSGTE ATMTAIRLAR GYTGRDLILK FDGCYHGSHD DATA SEQUENCE AVLVAAGXXX XXXGVPTSAG VPEAVARLTL VTPYNDVEAL ERVFAEYGDR DATA SEQUENCE IAGVIVEPVI ANAGVIPPRR EFLAALQRLS RESGALLILD EVVTGFRLGL DATA SEQUENCE EGAQGYFNIE GDIIVLGKII GGGFPVGAVA GSREVMSLLT PQGKVFNAGT DATA SEQUENCE FNAHPITMAA GLATLKALEE EPVYSVSREA AKALEEAASE VLDRTGLPYT DATA SEQUENCE INRVESMMQL FIGVEEVSNA AQARKADKKF YVKLHEEMLR RGVFIAPSNL DATA SEQUENCE EAVFTGLPHQ GEALEIAVEG LRSSLKTVLG S 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.259 176.300 -0.068 0.000 2.045 4 D CA 0.000 53.965 54.000 -0.059 0.000 0.868 4 D CB 0.000 40.768 40.800 -0.053 0.000 0.688 5 V N 1.451 121.315 119.914 -0.084 0.000 2.760 5 V HA 0.457 4.577 4.120 -0.000 0.000 0.309 5 V C -0.534 175.493 176.094 -0.112 0.000 1.077 5 V CA -0.713 61.527 62.300 -0.101 0.000 0.910 5 V CB 2.457 34.208 31.823 -0.121 0.000 1.008 5 V HN 0.104 nan 8.190 nan 0.000 0.424 6 L N 3.823 124.981 121.223 -0.108 0.000 2.335 6 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 6 L C 1.374 178.160 176.870 -0.141 0.000 1.037 6 L CA -0.298 54.477 54.840 -0.109 0.000 0.895 6 L CB 1.315 43.333 42.059 -0.068 0.000 1.266 6 L HN 0.840 nan 8.230 nan 0.000 0.439 7 A N 1.526 124.228 122.820 -0.197 0.000 1.877 7 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 7 A C 1.245 178.730 177.584 -0.164 0.000 1.186 7 A CA 1.193 53.063 52.037 -0.278 0.000 0.620 7 A CB -0.075 18.700 19.000 -0.375 0.000 0.822 7 A HN 0.556 nan 8.150 nan 0.000 0.443 8 S N 0.324 115.925 115.700 -0.165 0.000 2.592 8 S HA 0.515 4.985 4.470 -0.000 0.000 0.305 8 S C 0.512 175.100 174.600 -0.021 0.000 1.118 8 S CA -0.233 57.873 58.200 -0.158 0.000 1.075 8 S CB 0.760 63.512 63.200 -0.747 0.000 1.107 8 S HN 0.686 nan 8.310 nan 0.000 0.503 9 G N 1.798 110.638 108.800 0.066 0.000 2.543 9 G HA2 0.295 4.255 3.960 -0.000 0.000 0.267 9 G HA3 0.295 4.255 3.960 -0.000 0.000 0.267 9 G C 0.849 175.839 174.900 0.151 0.000 1.406 9 G CA -0.621 44.532 45.100 0.087 0.000 1.048 9 G HN 0.630 nan 8.290 nan 0.000 0.548 10 E N -0.299 119.961 120.200 0.100 0.000 2.204 10 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 10 E C 1.732 178.377 176.600 0.076 0.000 0.989 10 E CA 0.735 57.188 56.400 0.087 0.000 0.824 10 E CB -0.057 29.672 29.700 0.050 0.000 0.756 10 E HN 0.251 nan 8.360 nan 0.000 0.477 11 K N 0.968 121.411 120.400 0.071 0.000 2.057 11 K HA 0.022 4.342 4.320 -0.000 0.000 0.206 11 K C 2.355 178.991 176.600 0.059 0.000 1.050 11 K CA 0.992 57.308 56.287 0.047 0.000 0.935 11 K CB -0.211 32.318 32.500 0.048 0.000 0.715 11 K HN 0.054 nan 8.250 nan 0.000 0.439 12 S N 1.062 116.858 115.700 0.159 0.000 2.383 12 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 12 S C 1.964 176.753 174.600 0.316 0.000 1.026 12 S CA 1.129 59.502 58.200 0.289 0.000 0.981 12 S CB -0.099 63.359 63.200 0.429 0.000 0.818 12 S HN 0.201 nan 8.310 nan 0.000 0.472 13 R N 1.731 122.411 120.500 0.300 0.000 2.081 13 R HA 0.068 4.407 4.340 -0.000 0.000 0.235 13 R C 2.132 178.478 176.300 0.077 0.000 1.131 13 R CA 1.656 57.858 56.100 0.169 0.000 0.960 13 R CB -0.554 29.805 30.300 0.098 0.000 0.856 13 R HN 0.404 nan 8.270 nan 0.000 0.436 14 M N -0.229 119.381 119.600 0.018 0.000 2.086 14 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 14 M C 2.173 178.403 176.300 -0.116 0.000 1.067 14 M CA 1.722 56.994 55.300 -0.047 0.000 1.116 14 M CB -0.421 32.150 32.600 -0.050 0.000 1.348 14 M HN 0.136 nan 8.290 nan 0.000 0.407 15 L N -0.866 120.221 121.223 -0.226 0.000 2.083 15 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 15 L C 2.540 179.208 176.870 -0.337 0.000 1.083 15 L CA 1.052 55.603 54.840 -0.482 0.000 0.752 15 L CB -0.751 40.630 42.059 -1.130 0.000 0.899 15 L HN 0.200 nan 8.230 nan 0.000 0.433 16 F N 1.294 121.105 119.950 -0.233 0.000 2.102 16 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 16 F C 2.528 178.324 175.800 -0.006 0.000 1.105 16 F CA 1.637 59.691 58.000 0.091 0.000 1.239 16 F CB -0.174 38.918 39.000 0.153 0.000 0.991 16 F HN 0.024 nan 8.300 nan 0.000 0.474 17 E N 0.238 120.262 120.200 -0.294 0.000 2.152 17 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 17 E C 2.359 178.791 176.600 -0.281 0.000 0.983 17 E CA 0.828 56.994 56.400 -0.391 0.000 0.818 17 E CB -0.530 29.044 29.700 -0.210 0.000 0.758 17 E HN 0.476 nan 8.360 nan 0.000 0.467 18 R N 0.918 121.293 120.500 -0.208 0.000 2.092 18 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 18 R C 2.143 178.317 176.300 -0.210 0.000 1.119 18 R CA 1.824 57.813 56.100 -0.185 0.000 0.970 18 R CB -0.151 30.051 30.300 -0.164 0.000 0.864 18 R HN 0.199 nan 8.270 nan 0.000 0.440 19 T N -1.899 112.547 114.554 -0.181 0.000 3.118 19 T HA 0.071 4.421 4.350 -0.000 0.000 0.260 19 T C 1.449 176.037 174.700 -0.187 0.000 1.139 19 T CA 0.481 62.460 62.100 -0.201 0.000 1.085 19 T CB 0.036 68.977 68.868 0.122 0.000 0.934 19 T HN 0.224 nan 8.240 nan 0.000 0.518 20 K N 1.134 121.409 120.400 -0.209 0.000 2.209 20 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 20 K C 2.052 178.565 176.600 -0.145 0.000 1.048 20 K CA 1.342 57.517 56.287 -0.186 0.000 0.940 20 K CB -0.001 32.331 32.500 -0.280 0.000 0.729 20 K HN 0.573 nan 8.250 nan 0.000 0.451 21 E N -0.022 120.071 120.200 -0.178 0.000 2.447 21 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 21 E C 1.551 178.041 176.600 -0.183 0.000 1.028 21 E CA 0.209 56.519 56.400 -0.150 0.000 0.876 21 E CB 0.332 29.949 29.700 -0.139 0.000 0.885 21 E HN 0.197 nan 8.360 nan 0.000 0.500 22 L N -0.344 120.684 121.223 -0.325 0.000 2.316 22 L HA 0.176 4.516 4.340 -0.000 0.000 0.207 22 L C 0.087 176.725 176.870 -0.387 0.000 1.070 22 L CA 0.298 54.836 54.840 -0.504 0.000 0.820 22 L CB 0.266 41.740 42.059 -0.974 0.000 0.992 22 L HN -0.012 nan 8.230 nan 0.000 0.466 23 F N -0.790 119.166 119.950 0.010 0.000 2.563 23 F HA 0.506 5.033 4.527 -0.000 0.000 0.316 23 F C -2.411 173.396 175.800 0.013 0.000 1.076 23 F CA -3.712 54.299 58.000 0.019 0.000 0.921 23 F CB -0.006 39.015 39.000 0.035 0.000 1.209 23 F HN -0.393 nan 8.300 nan 0.000 0.462 24 P HA 0.266 nan 4.420 nan 0.000 0.271 24 P C 0.637 178.009 177.300 0.119 0.000 1.226 24 P CA 0.655 63.827 63.100 0.120 0.000 0.765 24 P CB 0.664 32.418 31.700 0.090 0.000 0.835 25 G N 3.218 112.073 108.800 0.092 0.000 2.189 25 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.267 25 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.267 25 G C 0.944 175.927 174.900 0.138 0.000 0.975 25 G CA 0.471 45.628 45.100 0.096 0.000 0.644 25 G HN 1.032 nan 8.290 nan 0.000 0.537 26 G N -2.576 106.325 108.800 0.169 0.000 2.179 26 G HA2 0.114 4.074 3.960 -0.000 0.000 0.260 26 G HA3 0.114 4.074 3.960 -0.000 0.000 0.260 26 G C 0.987 176.108 174.900 0.369 0.000 0.977 26 G CA 1.795 47.037 45.100 0.237 0.000 0.641 26 G HN 2.442 nan 8.290 nan 0.000 0.533 27 V N -4.659 115.406 119.914 0.251 0.000 3.182 27 V HA 0.764 4.884 4.120 -0.000 0.000 0.308 27 V C 0.484 176.516 176.094 -0.104 0.000 1.240 27 V CA -0.658 61.692 62.300 0.084 0.000 1.063 27 V CB 1.736 33.579 31.823 0.033 0.000 1.076 27 V HN -0.078 nan 8.190 nan 0.000 0.446 28 N N 0.643 119.185 118.700 -0.262 0.000 2.230 28 N HA 0.269 5.009 4.740 -0.000 0.000 0.202 28 N C -0.017 175.412 175.510 -0.134 0.000 1.119 28 N CA 0.539 53.420 53.050 -0.281 0.000 0.851 28 N CB 1.106 39.343 38.487 -0.416 0.000 0.990 28 N HN 0.732 nan 8.380 nan 0.000 0.497 29 S N -0.239 115.409 115.700 -0.087 0.000 2.605 29 S HA 0.272 4.742 4.470 -0.000 0.000 0.279 29 S C -2.115 172.455 174.600 -0.050 0.000 1.166 29 S CA -0.874 57.291 58.200 -0.058 0.000 0.975 29 S CB 1.519 64.687 63.200 -0.053 0.000 1.111 29 S HN -0.203 nan 8.310 nan 0.000 0.465 30 P HA -0.190 nan 4.420 nan 0.000 0.218 30 P C 1.529 178.793 177.300 -0.060 0.000 1.165 30 P CA 1.255 64.325 63.100 -0.050 0.000 0.922 30 P CB 0.069 31.726 31.700 -0.071 0.000 0.794 31 V N -0.351 119.498 119.914 -0.109 0.000 2.568 31 V HA -0.285 3.835 4.120 -0.000 0.000 0.253 31 V C 2.214 178.299 176.094 -0.014 0.000 1.072 31 V CA 1.856 64.092 62.300 -0.107 0.000 1.084 31 V CB -0.802 30.866 31.823 -0.260 0.000 0.676 31 V HN 0.073 nan 8.190 nan 0.000 0.469 32 R N -0.025 120.473 120.500 -0.005 0.000 2.189 32 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 32 R C 2.241 178.523 176.300 -0.030 0.000 1.092 32 R CA 1.179 57.275 56.100 -0.006 0.000 0.989 32 R CB -0.438 29.836 30.300 -0.043 0.000 0.876 32 R HN 0.581 nan 8.270 nan 0.000 0.457 33 A N 0.930 123.753 122.820 0.004 0.000 2.119 33 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 33 A C 2.136 179.742 177.584 0.038 0.000 1.152 33 A CA 1.062 53.127 52.037 0.047 0.000 0.708 33 A CB -0.154 18.893 19.000 0.079 0.000 0.805 33 A HN 0.325 nan 8.150 nan 0.000 0.460 34 A N -0.348 122.478 122.820 0.011 0.000 2.167 34 A HA 0.340 4.660 4.320 -0.000 0.000 0.214 34 A C 0.902 178.488 177.584 0.003 0.000 1.151 34 A CA 0.201 52.240 52.037 0.004 0.000 0.735 34 A CB -0.588 18.397 19.000 -0.026 0.000 0.802 34 A HN 0.240 nan 8.150 nan 0.000 0.467 35 V N 2.256 122.178 119.914 0.014 0.000 2.617 35 V HA 0.017 4.137 4.120 -0.000 0.000 0.304 35 V C 0.250 176.417 176.094 0.123 0.000 1.040 35 V CA 0.328 62.702 62.300 0.123 0.000 1.149 35 V CB 0.280 32.074 31.823 -0.049 0.000 0.914 35 V HN 0.329 nan 8.190 nan 0.000 0.487 36 K N 7.558 128.137 120.400 0.297 0.000 2.110 36 K HA 0.380 4.700 4.320 -0.000 0.000 0.263 36 K C -1.470 175.087 176.600 -0.072 0.000 0.975 36 K CA -2.030 54.315 56.287 0.096 0.000 0.895 36 K CB 1.638 34.231 32.500 0.156 0.000 1.060 36 K HN 0.332 nan 8.250 nan 0.000 0.448 37 P HA -0.082 nan 4.420 nan 0.000 0.225 37 P C -0.444 176.859 177.300 0.006 0.000 1.156 37 P CA 1.086 64.167 63.100 -0.031 0.000 0.787 37 P CB 0.142 31.853 31.700 0.019 0.000 0.802 38 Y N -4.461 115.725 120.300 -0.190 0.000 2.624 38 Y HA 0.709 5.259 4.550 -0.000 0.000 0.334 38 Y C -3.241 172.463 175.900 -0.326 0.000 1.155 38 Y CA -3.706 54.139 58.100 -0.424 0.000 1.046 38 Y CB -0.442 37.440 38.460 -0.964 0.000 1.316 38 Y HN -0.374 nan 8.280 nan 0.000 0.457 39 P HA 0.020 nan 4.420 nan 0.000 0.263 39 P C -0.850 176.314 177.300 -0.228 0.000 1.175 39 P CA 0.507 63.424 63.100 -0.304 0.000 0.761 39 P CB -0.014 31.554 31.700 -0.220 0.000 0.794 40 F N 1.761 121.572 119.950 -0.230 0.000 2.397 40 F HA 0.582 5.109 4.527 -0.000 0.000 0.331 40 F C -0.569 175.137 175.800 -0.157 0.000 1.090 40 F CA -1.424 56.501 58.000 -0.127 0.000 1.065 40 F CB 0.310 39.176 39.000 -0.223 0.000 1.184 40 F HN 0.221 nan 8.300 nan 0.000 0.499 41 Y N 1.505 121.949 120.300 0.240 0.000 2.342 41 Y HA 0.546 5.096 4.550 -0.000 0.000 0.334 41 Y C -0.162 175.869 175.900 0.219 0.000 1.067 41 Y CA -1.244 56.962 58.100 0.177 0.000 1.128 41 Y CB 1.686 40.232 38.460 0.144 0.000 1.200 41 Y HN 0.504 nan 8.280 nan 0.000 0.464 42 V N 4.552 124.615 119.914 0.247 0.000 2.432 42 V HA 0.169 4.289 4.120 -0.000 0.000 0.275 42 V C 0.918 177.101 176.094 0.148 0.000 1.043 42 V CA -0.677 61.737 62.300 0.189 0.000 0.925 42 V CB 1.528 33.436 31.823 0.142 0.000 0.985 42 V HN 0.865 nan 8.190 nan 0.000 0.466 43 K N 4.933 125.408 120.400 0.125 0.000 2.128 43 K HA 0.151 4.471 4.320 -0.000 0.000 0.202 43 K C 0.778 177.411 176.600 0.055 0.000 1.050 43 K CA 0.592 56.931 56.287 0.086 0.000 0.966 43 K CB 0.375 32.915 32.500 0.067 0.000 0.759 43 K HN 0.817 nan 8.250 nan 0.000 0.454 44 R N -1.851 118.690 120.500 0.069 0.000 2.741 44 R HA 0.435 4.775 4.340 -0.000 0.000 0.274 44 R C -1.401 174.955 176.300 0.094 0.000 1.029 44 R CA -0.934 55.188 56.100 0.037 0.000 0.880 44 R CB 0.880 31.156 30.300 -0.040 0.000 1.264 44 R HN 0.049 nan 8.270 nan 0.000 0.465 45 G N 0.035 108.854 108.800 0.030 0.000 2.682 45 G HA2 0.547 4.507 3.960 -0.000 0.000 0.300 45 G HA3 0.547 4.507 3.960 -0.000 0.000 0.300 45 G C -1.753 173.206 174.900 0.097 0.000 1.391 45 G CA -0.505 44.564 45.100 -0.051 0.000 0.990 45 G HN 0.620 nan 8.290 nan 0.000 0.501 46 E N 0.808 121.160 120.200 0.252 0.000 2.347 46 E HA 0.491 4.841 4.350 -0.000 0.000 0.285 46 E C 0.659 177.461 176.600 0.337 0.000 0.925 46 E CA 0.201 56.770 56.400 0.281 0.000 0.779 46 E CB 1.513 31.340 29.700 0.212 0.000 1.233 46 E HN 1.593 nan 8.360 nan 0.000 0.414 47 G N 2.826 111.777 108.800 0.250 0.000 2.591 47 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.298 47 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.298 47 G C 0.800 175.753 174.900 0.088 0.000 1.195 47 G CA 0.520 45.717 45.100 0.162 0.000 0.989 47 G HN 1.015 nan 8.290 nan 0.000 0.551 48 A N -0.597 122.147 122.820 -0.127 0.000 2.251 48 A HA 0.613 4.933 4.320 -0.000 0.000 0.209 48 A C 0.494 177.893 177.584 -0.308 0.000 1.187 48 A CA 1.055 52.907 52.037 -0.308 0.000 0.823 48 A CB -0.097 18.610 19.000 -0.487 0.000 0.846 48 A HN 0.748 nan 8.150 nan 0.000 0.486 49 Y N -1.404 118.946 120.300 0.084 0.000 2.509 49 Y HA 0.685 5.235 4.550 -0.000 0.000 0.341 49 Y C -0.070 175.673 175.900 -0.261 0.000 1.038 49 Y CA -1.112 56.906 58.100 -0.137 0.000 1.089 49 Y CB 1.225 39.451 38.460 -0.391 0.000 1.241 49 Y HN -0.061 nan 8.280 nan 0.000 0.468 50 L N 2.130 123.232 121.223 -0.203 0.000 2.346 50 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 50 L C -1.529 175.107 176.870 -0.391 0.000 1.007 50 L CA -1.002 53.703 54.840 -0.224 0.000 0.818 50 L CB 1.635 43.614 42.059 -0.134 0.000 1.284 50 L HN 0.584 nan 8.230 nan 0.000 0.424 51 Y N 0.014 120.249 120.300 -0.109 0.000 2.331 51 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 51 Y C 0.713 176.561 175.900 -0.087 0.000 0.960 51 Y CA -1.002 57.033 58.100 -0.108 0.000 1.130 51 Y CB 1.975 40.386 38.460 -0.083 0.000 1.164 51 Y HN 0.550 nan 8.280 nan 0.000 0.458 52 T N -1.824 112.721 114.554 -0.015 0.000 2.813 52 T HA 0.187 4.537 4.350 -0.000 0.000 0.297 52 T C 1.385 176.135 174.700 0.083 0.000 1.036 52 T CA -0.200 61.916 62.100 0.026 0.000 1.044 52 T CB 1.007 69.840 68.868 -0.058 0.000 0.993 52 T HN 0.609 nan 8.240 nan 0.000 0.535 53 V N -0.958 119.031 119.914 0.125 0.000 2.594 53 V HA -0.084 4.036 4.120 -0.000 0.000 0.253 53 V C 1.804 177.936 176.094 0.064 0.000 1.069 53 V CA 1.751 64.112 62.300 0.101 0.000 1.082 53 V CB -0.904 30.993 31.823 0.123 0.000 0.680 53 V HN 0.851 nan 8.190 nan 0.000 0.469 54 D N 0.625 121.059 120.400 0.057 0.000 2.289 54 D HA 0.203 4.843 4.640 -0.000 0.000 0.207 54 D C 1.877 178.186 176.300 0.015 0.000 0.966 54 D CA 1.567 55.586 54.000 0.032 0.000 0.868 54 D CB 0.907 41.724 40.800 0.028 0.000 0.943 54 D HN 0.715 nan 8.370 nan 0.000 0.514 55 G N 0.627 109.438 108.800 0.018 0.000 2.480 55 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.193 55 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.193 55 G C 0.539 175.441 174.900 0.004 0.000 1.004 55 G CA 0.052 45.166 45.100 0.023 0.000 0.696 55 G HN 0.513 nan 8.290 nan 0.000 0.478 56 A N 0.993 123.777 122.820 -0.059 0.000 2.567 56 A HA 0.513 4.833 4.320 -0.000 0.000 0.240 56 A C 0.711 178.177 177.584 -0.197 0.000 1.053 56 A CA 1.086 53.045 52.037 -0.128 0.000 0.755 56 A CB 0.069 18.964 19.000 -0.176 0.000 0.978 56 A HN 0.749 nan 8.150 nan 0.000 0.507 57 R N 2.466 122.818 120.500 -0.247 0.000 2.312 57 R HA 0.534 4.874 4.340 -0.000 0.000 0.311 57 R C -1.143 174.954 176.300 -0.339 0.000 1.004 57 R CA -0.531 55.294 56.100 -0.459 0.000 0.902 57 R CB 0.480 30.463 30.300 -0.529 0.000 1.073 57 R HN 0.609 nan 8.270 nan 0.000 0.457 58 I N 4.868 125.242 120.570 -0.328 0.000 2.498 58 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 58 I C -0.052 176.077 176.117 0.019 0.000 1.032 58 I CA -0.967 60.224 61.300 -0.180 0.000 1.073 58 I CB 1.769 39.555 38.000 -0.356 0.000 1.251 58 I HN 0.370 nan 8.210 nan 0.000 0.426 59 V N 4.823 124.785 119.914 0.079 0.000 2.521 59 V HA 0.028 4.148 4.120 -0.000 0.000 0.286 59 V C 0.305 176.449 176.094 0.083 0.000 1.034 59 V CA 0.024 62.344 62.300 0.032 0.000 1.045 59 V CB 0.839 32.649 31.823 -0.021 0.000 0.974 59 V HN 0.633 nan 8.190 nan 0.000 0.480 60 D N 4.877 125.360 120.400 0.137 0.000 2.380 60 D HA 0.262 4.902 4.640 -0.000 0.000 0.230 60 D C 0.397 176.816 176.300 0.198 0.000 1.154 60 D CA -0.065 54.086 54.000 0.251 0.000 0.859 60 D CB 0.984 41.994 40.800 0.351 0.000 1.045 60 D HN 0.459 nan 8.370 nan 0.000 0.495 61 L N 3.308 124.541 121.223 0.017 0.000 2.741 61 L HA 0.139 4.479 4.340 -0.000 0.000 0.237 61 L C 1.381 178.177 176.870 -0.124 0.000 1.178 61 L CA -0.160 54.632 54.840 -0.080 0.000 0.973 61 L CB 0.667 42.622 42.059 -0.173 0.000 1.255 61 L HN 0.280 nan 8.230 nan 0.000 0.498 62 V N -0.875 118.911 119.914 -0.213 0.000 2.788 62 V HA 0.063 4.183 4.120 -0.000 0.000 0.241 62 V C 1.486 177.476 176.094 -0.175 0.000 1.083 62 V CA 0.070 62.140 62.300 -0.382 0.000 1.103 62 V CB 0.245 31.553 31.823 -0.858 0.000 0.800 62 V HN 0.371 nan 8.190 nan 0.000 0.476 63 L N 0.565 121.741 121.223 -0.078 0.000 3.678 63 L HA -0.304 4.035 4.340 -0.000 0.000 0.425 63 L C 0.911 177.672 176.870 -0.181 0.000 1.240 63 L CA 0.140 54.903 54.840 -0.128 0.000 0.876 63 L CB -2.181 39.800 42.059 -0.130 0.000 1.766 63 L HN 0.564 nan 8.230 nan 0.000 0.917 64 A N -1.707 121.032 122.820 -0.134 0.000 2.847 64 A HA -0.267 4.053 4.320 -0.000 0.000 0.263 64 A C 0.620 178.204 177.584 0.000 0.000 1.391 64 A CA 1.303 53.308 52.037 -0.052 0.000 0.866 64 A CB -2.109 16.874 19.000 -0.028 0.000 1.057 64 A HN 1.424 nan 8.150 nan 0.000 0.673 65 Y N -4.048 116.240 120.300 -0.020 0.000 3.568 65 Y HA -0.025 4.525 4.550 0.000 0.000 0.220 65 Y C 1.951 177.532 175.900 -0.531 0.000 1.319 65 Y CA 1.933 60.033 58.100 -0.000 0.000 1.629 65 Y CB -1.574 36.940 38.460 0.090 0.000 1.515 65 Y HN 2.217 nan 8.280 nan 0.000 0.613 66 G N -3.194 105.070 108.800 -0.894 0.000 2.909 66 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.198 66 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.198 66 G C -0.851 173.779 174.900 -0.450 0.000 1.124 66 G CA 0.001 44.507 45.100 -0.991 0.000 0.796 66 G HN 0.270 nan 8.290 nan 0.000 0.489 67 P HA 0.089 nan 4.420 nan 0.000 0.215 67 P C 1.229 178.419 177.300 -0.185 0.000 1.153 67 P CA 0.768 63.769 63.100 -0.166 0.000 0.853 67 P CB -0.110 31.522 31.700 -0.113 0.000 0.788 68 L N -0.137 120.945 121.223 -0.235 0.000 2.672 68 L HA 0.153 4.493 4.340 -0.000 0.000 0.238 68 L C 1.686 178.402 176.870 -0.256 0.000 1.392 68 L CA -0.061 54.619 54.840 -0.266 0.000 1.238 68 L CB -0.760 41.062 42.059 -0.395 0.000 1.548 68 L HN -0.005 nan 8.230 nan 0.000 0.423 69 I N 0.143 120.585 120.570 -0.214 0.000 2.614 69 I HA -0.200 3.970 4.170 -0.000 0.000 0.258 69 I C 1.692 177.660 176.117 -0.248 0.000 1.189 69 I CA 1.181 62.364 61.300 -0.194 0.000 1.462 69 I CB 0.325 38.237 38.000 -0.147 0.000 1.092 69 I HN 0.505 nan 8.210 nan 0.000 0.442 70 L N 0.721 121.777 121.223 -0.279 0.000 2.611 70 L HA 0.328 4.668 4.340 -0.000 0.000 0.229 70 L C 1.025 177.740 176.870 -0.259 0.000 1.137 70 L CA 0.260 54.886 54.840 -0.356 0.000 0.901 70 L CB -0.759 40.999 42.059 -0.501 0.000 1.098 70 L HN 0.447 nan 8.230 nan 0.000 0.456 71 G N -0.234 108.407 108.800 -0.266 0.000 2.725 71 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 71 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 71 G C -0.531 174.246 174.900 -0.204 0.000 1.357 71 G CA -0.800 44.151 45.100 -0.248 0.000 0.866 71 G HN 0.223 nan 8.290 nan 0.000 0.548 72 H N 0.736 119.800 119.070 -0.011 0.000 2.511 72 H HA 0.340 4.896 4.556 -0.000 0.000 0.346 72 H C 1.178 176.544 175.328 0.064 0.000 1.128 72 H CA 0.425 56.491 56.048 0.030 0.000 1.342 72 H CB 1.241 31.040 29.762 0.062 0.000 1.470 72 H HN 0.812 nan 8.280 nan 0.000 0.546 73 K N 2.202 122.713 120.400 0.184 0.000 3.311 73 K HA -0.274 4.046 4.320 -0.000 0.000 0.270 73 K C -0.557 176.117 176.600 0.125 0.000 0.927 73 K CA 0.294 56.662 56.287 0.134 0.000 0.706 73 K CB -1.321 31.247 32.500 0.113 0.000 1.418 73 K HN 0.653 nan 8.250 nan 0.000 0.459 74 H N 0.082 119.170 119.070 0.029 0.000 3.107 74 H HA 0.047 4.603 4.556 -0.000 0.000 0.301 74 H C -1.713 173.625 175.328 0.017 0.000 0.981 74 H CA -1.088 54.965 56.048 0.009 0.000 1.443 74 H CB 0.995 30.746 29.762 -0.018 0.000 1.479 74 H HN 0.102 nan 8.280 nan 0.000 0.564 75 P HA -0.243 nan 4.420 nan 0.000 0.216 75 P C 1.331 178.509 177.300 -0.203 0.000 1.157 75 P CA 1.880 64.827 63.100 -0.255 0.000 0.880 75 P CB 0.227 31.767 31.700 -0.267 0.000 0.791 76 R N -0.704 119.609 120.500 -0.311 0.000 2.073 76 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 76 R C 2.129 178.457 176.300 0.047 0.000 1.134 76 R CA 1.492 57.560 56.100 -0.052 0.000 0.952 76 R CB -1.265 29.082 30.300 0.079 0.000 0.850 76 R HN 0.125 nan 8.270 nan 0.000 0.433 77 V N 1.535 121.533 119.914 0.139 0.000 2.427 77 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 77 V C 2.242 178.382 176.094 0.077 0.000 1.051 77 V CA 1.336 63.706 62.300 0.116 0.000 1.048 77 V CB -0.508 31.408 31.823 0.155 0.000 0.666 77 V HN 0.249 nan 8.190 nan 0.000 0.456 78 L N 0.819 122.080 121.223 0.064 0.000 2.012 78 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 78 L C 2.423 179.310 176.870 0.029 0.000 1.073 78 L CA 2.463 57.335 54.840 0.052 0.000 0.748 78 L CB -0.809 41.268 42.059 0.030 0.000 0.891 78 L HN 0.378 nan 8.230 nan 0.000 0.431 79 E N -0.037 120.169 120.200 0.010 0.000 2.110 79 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 79 E C 2.066 178.672 176.600 0.011 0.000 0.988 79 E CA 1.567 57.971 56.400 0.006 0.000 0.804 79 E CB -0.444 29.253 29.700 -0.005 0.000 0.745 79 E HN 0.576 nan 8.360 nan 0.000 0.458 80 A N -0.010 122.817 122.820 0.012 0.000 1.902 80 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 80 A C 2.516 180.096 177.584 -0.008 0.000 1.181 80 A CA 1.622 53.662 52.037 0.004 0.000 0.623 80 A CB -0.734 18.268 19.000 0.004 0.000 0.818 80 A HN 0.197 nan 8.150 nan 0.000 0.443 81 V N 0.328 120.235 119.914 -0.011 0.000 2.427 81 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 81 V C 2.542 178.632 176.094 -0.006 0.000 1.051 81 V CA 2.004 64.279 62.300 -0.042 0.000 1.048 81 V CB -0.695 31.109 31.823 -0.033 0.000 0.666 81 V HN 0.527 nan 8.190 nan 0.000 0.456 82 E N 0.195 120.405 120.200 0.017 0.000 2.058 82 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 82 E C 2.203 178.826 176.600 0.039 0.000 0.997 82 E CA 1.506 57.924 56.400 0.031 0.000 0.801 82 E CB -0.216 29.501 29.700 0.027 0.000 0.746 82 E HN 0.699 nan 8.360 nan 0.000 0.450 83 E N 0.614 120.831 120.200 0.028 0.000 2.077 83 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 83 E C 2.026 178.651 176.600 0.042 0.000 0.989 83 E CA 1.017 57.436 56.400 0.032 0.000 0.800 83 E CB -0.103 29.610 29.700 0.021 0.000 0.746 83 E HN 0.205 nan 8.360 nan 0.000 0.452 84 A N 0.858 123.697 122.820 0.031 0.000 1.930 84 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 84 A C 2.102 179.737 177.584 0.086 0.000 1.175 84 A CA 0.812 52.873 52.037 0.041 0.000 0.627 84 A CB -0.393 18.603 19.000 -0.007 0.000 0.815 84 A HN 0.162 nan 8.150 nan 0.000 0.443 85 L N -0.268 121.013 121.223 0.097 0.000 2.083 85 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 85 L C 2.729 179.734 176.870 0.224 0.000 1.083 85 L CA 1.881 56.842 54.840 0.201 0.000 0.752 85 L CB -0.639 41.507 42.059 0.145 0.000 0.899 85 L HN 0.363 nan 8.230 nan 0.000 0.433 86 A N -1.088 121.814 122.820 0.137 0.000 2.125 86 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 86 A C 2.179 179.817 177.584 0.089 0.000 1.156 86 A CA 1.145 53.247 52.037 0.109 0.000 0.671 86 A CB -0.503 18.540 19.000 0.072 0.000 0.794 86 A HN 0.466 nan 8.150 nan 0.000 0.459 87 R N -0.776 119.786 120.500 0.103 0.000 2.359 87 R HA 0.327 4.667 4.340 -0.000 0.000 0.231 87 R C 0.548 176.940 176.300 0.153 0.000 0.913 87 R CA 0.431 56.593 56.100 0.105 0.000 1.075 87 R CB -0.061 30.312 30.300 0.120 0.000 1.087 87 R HN 0.584 nan 8.270 nan 0.000 0.515 88 G N 0.842 109.696 108.800 0.090 0.000 2.719 88 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 88 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 88 G C -0.256 174.605 174.900 -0.066 0.000 1.201 88 G CA -0.310 44.743 45.100 -0.079 0.000 0.768 88 G HN 0.498 nan 8.290 nan 0.000 0.629 89 W N 0.392 121.608 121.300 -0.140 0.000 3.103 89 W HA 0.729 5.389 4.660 -0.000 0.000 0.325 89 W C 0.151 176.324 176.519 -0.576 0.000 1.170 89 W CA -0.396 56.783 57.345 -0.277 0.000 1.712 89 W CB 0.438 29.879 29.460 -0.033 0.000 1.068 89 W HN 0.816 nan 8.180 nan 0.000 0.592 90 L N 0.801 121.683 121.223 -0.568 0.000 2.505 90 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 90 L C -0.692 175.993 176.870 -0.309 0.000 0.954 90 L CA -1.095 53.456 54.840 -0.482 0.000 0.852 90 L CB 1.074 43.090 42.059 -0.071 0.000 1.282 90 L HN 0.017 nan 8.230 nan 0.000 0.403 91 Y N 2.476 122.701 120.300 -0.125 0.000 2.589 91 Y HA 0.462 5.012 4.550 -0.000 0.000 0.271 91 Y C 1.831 177.683 175.900 -0.080 0.000 1.107 91 Y CA -0.116 57.921 58.100 -0.105 0.000 1.273 91 Y CB -0.007 38.397 38.460 -0.093 0.000 1.266 91 Y HN 0.715 nan 8.280 nan 0.000 0.504 92 G N 0.265 109.110 108.800 0.076 0.000 2.179 92 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.260 92 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.260 92 G C 0.286 175.205 174.900 0.032 0.000 0.977 92 G CA 0.335 45.448 45.100 0.021 0.000 0.641 92 G HN 0.775 nan 8.290 nan 0.000 0.533 93 A N -0.617 122.248 122.820 0.074 0.000 2.569 93 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 93 A C -2.708 174.924 177.584 0.080 0.000 1.136 93 A CA -0.937 51.129 52.037 0.048 0.000 0.710 93 A CB 0.812 19.819 19.000 0.011 0.000 1.303 93 A HN 0.186 nan 8.150 nan 0.000 0.413 94 P HA 0.396 nan 4.420 nan 0.000 0.266 94 P C 0.241 177.585 177.300 0.074 0.000 1.195 94 P CA 0.459 63.596 63.100 0.062 0.000 0.768 94 P CB 0.710 32.433 31.700 0.039 0.000 0.838 95 G N 0.969 109.835 108.800 0.110 0.000 2.735 95 G HA2 0.255 4.215 3.960 -0.000 0.000 0.301 95 G HA3 0.255 4.215 3.960 -0.000 0.000 0.301 95 G C 0.221 175.161 174.900 0.067 0.000 1.279 95 G CA -0.477 44.699 45.100 0.128 0.000 1.019 95 G HN 0.427 nan 8.290 nan 0.000 0.497 96 E N -0.537 119.697 120.200 0.056 0.000 2.102 96 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 96 E C 2.713 179.331 176.600 0.030 0.000 0.971 96 E CA 0.734 57.154 56.400 0.033 0.000 0.821 96 E CB 0.053 29.764 29.700 0.019 0.000 0.777 96 E HN 0.435 nan 8.360 nan 0.000 0.460 97 A N 2.377 125.211 122.820 0.024 0.000 1.940 97 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 97 A C 2.104 179.675 177.584 -0.022 0.000 1.176 97 A CA 1.964 53.997 52.037 -0.006 0.000 0.631 97 A CB -0.738 18.245 19.000 -0.030 0.000 0.814 97 A HN 0.429 nan 8.150 nan 0.000 0.446 98 E N -0.112 120.074 120.200 -0.022 0.000 2.160 98 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 98 E C 1.643 178.314 176.600 0.118 0.000 0.991 98 E CA 1.603 57.992 56.400 -0.018 0.000 0.810 98 E CB -0.545 29.170 29.700 0.024 0.000 0.742 98 E HN 0.325 nan 8.360 nan 0.000 0.466 99 V N 1.615 121.582 119.914 0.088 0.000 2.307 99 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 99 V C 2.500 178.644 176.094 0.083 0.000 1.045 99 V CA 1.477 63.832 62.300 0.092 0.000 1.024 99 V CB -0.476 31.382 31.823 0.057 0.000 0.651 99 V HN 0.282 nan 8.190 nan 0.000 0.449 100 L N -0.744 120.513 121.223 0.057 0.000 2.093 100 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 100 L C 2.421 179.330 176.870 0.065 0.000 1.085 100 L CA 1.057 55.925 54.840 0.047 0.000 0.755 100 L CB -0.525 41.550 42.059 0.027 0.000 0.904 100 L HN 0.333 nan 8.230 nan 0.000 0.435 101 L N 0.132 121.399 121.223 0.072 0.000 2.056 101 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 101 L C 2.623 179.633 176.870 0.233 0.000 1.078 101 L CA 1.889 56.790 54.840 0.101 0.000 0.749 101 L CB -0.678 41.382 42.059 0.002 0.000 0.901 101 L HN 0.123 nan 8.230 nan 0.000 0.433 102 A N -0.617 122.389 122.820 0.311 0.000 1.877 102 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 102 A C 2.137 179.800 177.584 0.131 0.000 1.186 102 A CA 1.839 54.035 52.037 0.266 0.000 0.620 102 A CB -0.632 18.500 19.000 0.220 0.000 0.822 102 A HN 0.604 nan 8.150 nan 0.000 0.443 103 E N -0.477 119.781 120.200 0.096 0.000 2.051 103 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 103 E C 2.119 178.739 176.600 0.033 0.000 0.991 103 E CA 1.440 57.869 56.400 0.047 0.000 0.799 103 E CB -0.160 29.559 29.700 0.031 0.000 0.748 103 E HN 0.667 nan 8.360 nan 0.000 0.449 104 K N 1.011 121.446 120.400 0.058 0.000 2.025 104 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 104 K C 2.128 178.823 176.600 0.157 0.000 1.049 104 K CA 1.031 57.351 56.287 0.055 0.000 0.933 104 K CB -0.042 32.518 32.500 0.101 0.000 0.714 104 K HN 0.047 nan 8.250 nan 0.000 0.438 105 I N 1.167 121.876 120.570 0.231 0.000 2.179 105 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 105 I C 2.184 178.482 176.117 0.303 0.000 1.088 105 I CA 1.177 62.711 61.300 0.391 0.000 1.357 105 I CB -0.206 37.987 38.000 0.323 0.000 1.051 105 I HN 0.201 nan 8.210 nan 0.000 0.409 106 L N 0.357 121.668 121.223 0.147 0.000 2.131 106 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 106 L C 2.592 179.485 176.870 0.038 0.000 1.092 106 L CA 1.368 56.253 54.840 0.076 0.000 0.759 106 L CB -1.069 41.007 42.059 0.028 0.000 0.903 106 L HN 0.337 nan 8.230 nan 0.000 0.435 107 G N -1.246 107.538 108.800 -0.026 0.000 2.470 107 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 107 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 107 G C 1.179 175.982 174.900 -0.162 0.000 1.121 107 G CA 0.518 45.529 45.100 -0.148 0.000 0.766 107 G HN 0.297 nan 8.290 nan 0.000 0.553 108 Y N -0.530 119.836 120.300 0.110 0.000 2.479 108 Y HA 0.159 4.709 4.550 -0.000 0.000 0.283 108 Y C 2.647 178.546 175.900 -0.003 0.000 1.109 108 Y CA 0.558 58.702 58.100 0.072 0.000 1.239 108 Y CB 0.152 38.699 38.460 0.145 0.000 1.108 108 Y HN 0.134 nan 8.280 nan 0.000 0.548 109 V N -2.337 117.678 119.914 0.167 0.000 3.570 109 V HA 0.351 4.471 4.120 -0.000 0.000 0.257 109 V C 0.327 176.445 176.094 0.041 0.000 1.272 109 V CA 0.545 62.884 62.300 0.065 0.000 1.079 109 V CB 0.551 32.403 31.823 0.048 0.000 0.829 109 V HN 0.104 nan 8.190 nan 0.000 0.454 110 K N 1.223 121.648 120.400 0.041 0.000 3.072 110 K HA 0.347 4.667 4.320 -0.000 0.000 0.216 110 K C -0.175 176.428 176.600 0.005 0.000 1.253 110 K CA -0.280 56.015 56.287 0.013 0.000 0.891 110 K CB 0.497 32.997 32.500 0.001 0.000 1.224 110 K HN 0.367 nan 8.250 nan 0.000 0.570 111 R N 0.743 121.245 120.500 0.003 0.000 2.504 111 R HA 0.127 4.467 4.340 -0.000 0.000 0.291 111 R C 0.768 177.062 176.300 -0.010 0.000 0.974 111 R CA 2.254 58.349 56.100 -0.008 0.000 1.077 111 R CB 0.111 30.404 30.300 -0.011 0.000 0.926 111 R HN 0.832 nan 8.270 nan 0.000 0.407 112 G N 2.302 111.095 108.800 -0.011 0.000 2.179 112 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 112 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 112 G C 0.354 175.245 174.900 -0.014 0.000 0.977 112 G CA 0.099 45.192 45.100 -0.011 0.000 0.641 112 G HN 0.929 nan 8.290 nan 0.000 0.533 113 G N -1.135 107.655 108.800 -0.017 0.000 2.531 113 G HA2 0.749 4.709 3.960 -0.000 0.000 0.281 113 G HA3 0.749 4.709 3.960 -0.000 0.000 0.281 113 G C 0.030 174.912 174.900 -0.031 0.000 1.382 113 G CA -0.484 44.601 45.100 -0.025 0.000 1.045 113 G HN 0.394 nan 8.290 nan 0.000 0.533 114 M N -0.703 118.870 119.600 -0.045 0.000 2.727 114 M HA 0.605 5.085 4.480 -0.000 0.000 0.300 114 M C -1.064 175.178 176.300 -0.096 0.000 1.246 114 M CA -0.606 54.658 55.300 -0.060 0.000 0.835 114 M CB 2.762 35.330 32.600 -0.054 0.000 1.755 114 M HN 0.415 nan 8.290 nan 0.000 0.473 115 I N 0.383 120.866 120.570 -0.146 0.000 2.994 115 I HA 0.637 4.807 4.170 -0.000 0.000 0.306 115 I C -1.616 174.316 176.117 -0.308 0.000 1.195 115 I CA -0.670 60.478 61.300 -0.252 0.000 1.001 115 I CB 2.387 40.162 38.000 -0.375 0.000 1.244 115 I HN 0.680 nan 8.210 nan 0.000 0.437 116 R N 4.647 124.943 120.500 -0.340 0.000 2.514 116 R HA 0.485 4.825 4.340 -0.000 0.000 0.296 116 R C -2.300 173.845 176.300 -0.258 0.000 1.012 116 R CA -0.429 55.525 56.100 -0.244 0.000 0.897 116 R CB 0.769 30.996 30.300 -0.121 0.000 1.184 116 R HN 0.329 nan 8.270 nan 0.000 0.440 117 F N 4.800 124.763 119.950 0.021 0.000 2.404 117 F HA 0.447 4.974 4.527 -0.000 0.000 0.345 117 F C 0.832 176.655 175.800 0.039 0.000 1.110 117 F CA -0.204 57.818 58.000 0.037 0.000 1.130 117 F CB 1.305 40.333 39.000 0.047 0.000 1.129 117 F HN 0.388 nan 8.300 nan 0.000 0.500 118 V N 0.218 120.278 119.914 0.245 0.000 3.221 118 V HA 0.556 4.675 4.120 -0.000 0.000 0.305 118 V C 0.156 176.351 176.094 0.169 0.000 1.263 118 V CA -0.863 61.534 62.300 0.163 0.000 1.048 118 V CB 1.906 33.785 31.823 0.093 0.000 1.203 118 V HN 0.649 nan 8.190 nan 0.000 0.476 119 N N 0.673 119.456 118.700 0.138 0.000 2.205 119 N HA 0.231 4.971 4.740 -0.000 0.000 0.201 119 N C 0.202 175.761 175.510 0.082 0.000 1.128 119 N CA 0.847 53.969 53.050 0.120 0.000 0.867 119 N CB 0.856 39.429 38.487 0.143 0.000 0.996 119 N HN 0.939 nan 8.380 nan 0.000 0.503 120 S N -2.554 113.195 115.700 0.081 0.000 2.611 120 S HA 0.455 4.925 4.470 -0.000 0.000 0.268 120 S C 0.834 175.477 174.600 0.071 0.000 1.156 120 S CA -0.432 57.809 58.200 0.068 0.000 0.817 120 S CB 1.015 64.251 63.200 0.059 0.000 1.122 120 S HN -0.048 nan 8.310 nan 0.000 0.466 121 G N 0.672 109.516 108.800 0.072 0.000 2.422 121 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.218 121 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.218 121 G C 1.043 175.978 174.900 0.059 0.000 1.140 121 G CA 1.443 46.586 45.100 0.072 0.000 0.775 121 G HN 0.777 nan 8.290 nan 0.000 0.545 122 T N 0.934 115.524 114.554 0.060 0.000 2.708 122 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 122 T C 2.177 176.881 174.700 0.006 0.000 1.037 122 T CA 1.486 63.634 62.100 0.080 0.000 1.146 122 T CB -0.181 68.746 68.868 0.098 0.000 0.865 122 T HN 0.432 nan 8.240 nan 0.000 0.435 123 E N 0.855 121.060 120.200 0.007 0.000 2.110 123 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 123 E C 2.563 179.139 176.600 -0.040 0.000 0.988 123 E CA 0.933 57.318 56.400 -0.024 0.000 0.804 123 E CB -0.199 29.517 29.700 0.027 0.000 0.745 123 E HN 0.478 nan 8.360 nan 0.000 0.458 124 A N 1.393 124.214 122.820 0.001 0.000 1.858 124 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 124 A C 2.512 180.085 177.584 -0.019 0.000 1.190 124 A CA 2.316 54.356 52.037 0.006 0.000 0.617 124 A CB -1.133 17.894 19.000 0.045 0.000 0.827 124 A HN 0.403 nan 8.150 nan 0.000 0.443 125 T N -2.602 111.950 114.554 -0.003 0.000 2.867 125 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 125 T C 1.893 176.547 174.700 -0.077 0.000 1.057 125 T CA 1.638 63.744 62.100 0.009 0.000 1.136 125 T CB -0.420 68.517 68.868 0.115 0.000 0.874 125 T HN 0.389 nan 8.240 nan 0.000 0.466 126 M N 1.188 120.605 119.600 -0.305 0.000 2.159 126 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 126 M C 2.111 178.283 176.300 -0.214 0.000 1.063 126 M CA 1.686 56.644 55.300 -0.571 0.000 1.110 126 M CB -0.513 31.647 32.600 -0.733 0.000 1.374 126 M HN 0.250 nan 8.290 nan 0.000 0.411 127 T N 0.765 115.241 114.554 -0.130 0.000 2.857 127 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 127 T C 1.792 176.463 174.700 -0.050 0.000 1.048 127 T CA 1.311 63.370 62.100 -0.069 0.000 1.139 127 T CB -0.380 68.456 68.868 -0.053 0.000 0.874 127 T HN 0.578 nan 8.240 nan 0.000 0.455 128 A N 1.172 123.963 122.820 -0.050 0.000 1.902 128 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 128 A C 2.266 179.832 177.584 -0.030 0.000 1.181 128 A CA 1.140 53.154 52.037 -0.038 0.000 0.623 128 A CB -0.740 18.239 19.000 -0.035 0.000 0.818 128 A HN 0.505 nan 8.150 nan 0.000 0.443 129 I N -1.205 119.347 120.570 -0.030 0.000 2.202 129 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 129 I C 2.723 178.840 176.117 0.000 0.000 1.091 129 I CA 1.606 62.899 61.300 -0.011 0.000 1.368 129 I CB -0.307 37.704 38.000 0.018 0.000 1.058 129 I HN 0.352 nan 8.210 nan 0.000 0.410 130 R N 0.721 121.218 120.500 -0.005 0.000 2.120 130 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 130 R C 2.278 178.595 176.300 0.028 0.000 1.123 130 R CA 1.355 57.463 56.100 0.014 0.000 0.975 130 R CB -0.141 30.168 30.300 0.015 0.000 0.866 130 R HN 0.221 nan 8.270 nan 0.000 0.446 131 L N 0.296 121.530 121.223 0.017 0.000 2.109 131 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 131 L C 2.183 179.090 176.870 0.062 0.000 1.086 131 L CA 1.946 56.805 54.840 0.031 0.000 0.760 131 L CB -0.554 41.503 42.059 -0.004 0.000 0.910 131 L HN 0.196 nan 8.230 nan 0.000 0.437 132 A N -0.613 122.231 122.820 0.039 0.000 1.930 132 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 132 A C 2.414 180.056 177.584 0.096 0.000 1.175 132 A CA 1.528 53.603 52.037 0.064 0.000 0.627 132 A CB -0.443 18.573 19.000 0.026 0.000 0.815 132 A HN 0.459 nan 8.150 nan 0.000 0.443 133 R N -0.951 119.585 120.500 0.061 0.000 2.073 133 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 133 R C 2.391 178.727 176.300 0.060 0.000 1.120 133 R CA 1.056 57.186 56.100 0.049 0.000 0.967 133 R CB -0.516 29.801 30.300 0.028 0.000 0.862 133 R HN 0.512 nan 8.270 nan 0.000 0.436 134 G N -0.184 108.661 108.800 0.074 0.000 2.408 134 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 134 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 134 G C 1.211 176.164 174.900 0.088 0.000 1.150 134 G CA 0.359 45.502 45.100 0.071 0.000 0.776 134 G HN 0.305 nan 8.290 nan 0.000 0.542 135 Y N 2.242 122.545 120.300 0.006 0.000 2.200 135 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 135 Y C 3.119 179.024 175.900 0.008 0.000 1.137 135 Y CA 2.356 60.459 58.100 0.006 0.000 1.163 135 Y CB -0.177 38.285 38.460 0.004 0.000 0.988 135 Y HN 0.273 nan 8.280 nan 0.000 0.518 136 T N -4.075 110.530 114.554 0.085 0.000 3.044 136 T HA 0.243 4.592 4.350 -0.000 0.000 0.255 136 T C 1.736 176.421 174.700 -0.025 0.000 1.073 136 T CA 0.641 62.748 62.100 0.011 0.000 1.125 136 T CB -0.383 68.545 68.868 0.100 0.000 0.908 136 T HN 0.624 nan 8.240 nan 0.000 0.480 137 G N 1.781 110.578 108.800 -0.006 0.000 2.148 137 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 137 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 137 G C 0.094 174.995 174.900 0.002 0.000 0.981 137 G CA 0.100 45.195 45.100 -0.009 0.000 0.670 137 G HN 0.730 nan 8.290 nan 0.000 0.528 138 R N -0.563 119.944 120.500 0.013 0.000 2.758 138 R HA 0.607 4.947 4.340 -0.000 0.000 0.265 138 R C 0.255 176.556 176.300 0.001 0.000 1.016 138 R CA -0.666 55.439 56.100 0.008 0.000 1.040 138 R CB 0.841 31.150 30.300 0.014 0.000 1.152 138 R HN 0.015 nan 8.270 nan 0.000 0.503 139 D N 0.392 120.785 120.400 -0.013 0.000 2.394 139 D HA 0.087 4.727 4.640 -0.000 0.000 0.226 139 D C 0.425 176.695 176.300 -0.051 0.000 0.990 139 D CA 0.569 54.555 54.000 -0.023 0.000 0.902 139 D CB 0.278 41.064 40.800 -0.023 0.000 1.038 139 D HN 0.247 nan 8.370 nan 0.000 0.499 140 L N 1.969 123.144 121.223 -0.080 0.000 2.455 140 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 140 L C 0.083 176.868 176.870 -0.142 0.000 1.174 140 L CA 0.256 55.009 54.840 -0.145 0.000 0.869 140 L CB 0.774 42.698 42.059 -0.224 0.000 1.130 140 L HN -0.111 nan 8.230 nan 0.000 0.474 141 I N 4.462 124.935 120.570 -0.160 0.000 2.465 141 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 141 I C -0.356 175.637 176.117 -0.207 0.000 1.014 141 I CA -0.645 60.567 61.300 -0.146 0.000 1.093 141 I CB 1.955 39.895 38.000 -0.099 0.000 1.267 141 I HN 0.362 nan 8.210 nan 0.000 0.431 142 L N 8.575 129.662 121.223 -0.226 0.000 2.282 142 L HA 0.539 4.879 4.340 -0.000 0.000 0.288 142 L C -0.213 176.443 176.870 -0.357 0.000 1.033 142 L CA 0.062 54.713 54.840 -0.316 0.000 0.807 142 L CB 0.640 42.496 42.059 -0.339 0.000 1.209 142 L HN 0.706 nan 8.230 nan 0.000 0.423 143 K N 2.900 123.049 120.400 -0.418 0.000 2.409 143 K HA 0.664 4.984 4.320 -0.000 0.000 0.252 143 K C -1.508 174.749 176.600 -0.572 0.000 1.036 143 K CA -0.752 55.338 56.287 -0.328 0.000 0.871 143 K CB 1.471 33.954 32.500 -0.028 0.000 1.374 143 K HN 0.322 nan 8.250 nan 0.000 0.459 144 F N 0.379 120.472 119.950 0.239 0.000 2.522 144 F HA 0.201 4.728 4.527 0.000 0.000 0.324 144 F C -0.109 175.778 175.800 0.146 0.000 1.077 144 F CA -0.757 57.382 58.000 0.231 0.000 0.944 144 F CB 1.611 40.853 39.000 0.403 0.000 1.175 144 F HN 0.671 nan 8.300 nan 0.000 0.468 145 D N 1.125 121.682 120.400 0.261 0.000 2.451 145 D HA 0.373 5.013 4.640 -0.000 0.000 0.254 145 D C 0.949 177.308 176.300 0.098 0.000 1.204 145 D CA 1.884 55.964 54.000 0.133 0.000 0.896 145 D CB 0.414 41.273 40.800 0.099 0.000 1.136 145 D HN 0.776 nan 8.370 nan 0.000 0.499 146 G N 2.657 111.480 108.800 0.039 0.000 2.259 146 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 146 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 146 G C 0.523 175.390 174.900 -0.055 0.000 1.001 146 G CA -0.009 45.076 45.100 -0.026 0.000 0.627 146 G HN 0.704 nan 8.290 nan 0.000 0.501 147 C N 1.061 120.348 119.300 -0.022 0.000 2.601 147 C HA 0.597 5.057 4.460 -0.000 0.000 0.409 147 C C 0.226 175.091 174.990 -0.208 0.000 1.293 147 C CA -0.208 58.740 59.018 -0.118 0.000 2.101 147 C CB -0.223 27.524 27.740 0.012 0.000 2.639 147 C HN 0.402 nan 8.230 nan 0.000 0.592 148 Y N 2.791 122.827 120.300 -0.441 0.000 2.341 148 Y HA 0.409 4.959 4.550 -0.000 0.000 0.338 148 Y C 0.782 176.397 175.900 -0.475 0.000 0.965 148 Y CA -0.341 57.547 58.100 -0.353 0.000 1.108 148 Y CB 0.460 38.812 38.460 -0.179 0.000 1.180 148 Y HN 0.781 nan 8.280 nan 0.000 0.458 149 H N 3.777 122.490 119.070 -0.595 0.000 2.923 149 H HA 0.451 5.007 4.556 -0.000 0.000 0.268 149 H C 0.693 175.706 175.328 -0.524 0.000 1.148 149 H CA 0.376 56.175 56.048 -0.415 0.000 1.146 149 H CB 0.784 30.450 29.762 -0.161 0.000 1.607 149 H HN 0.877 nan 8.280 nan 0.000 0.566 150 G N 0.327 108.493 108.800 -1.058 0.000 2.353 150 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.615 150 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.615 150 G C -0.569 174.211 174.900 -0.201 0.000 1.280 150 G CA -0.252 44.551 45.100 -0.494 0.000 1.000 150 G HN 0.072 nan 8.290 nan 0.000 0.516 151 S N 0.458 116.188 115.700 0.049 0.000 3.266 151 S HA 0.542 5.012 4.470 -0.000 0.000 0.209 151 S C 0.223 174.904 174.600 0.134 0.000 1.409 151 S CA 0.462 58.721 58.200 0.098 0.000 1.179 151 S CB -1.235 62.037 63.200 0.121 0.000 1.218 151 S HN 1.283 nan 8.310 nan 0.000 0.514 152 H N -1.926 117.148 119.070 0.007 0.000 2.768 152 H HA 0.590 5.146 4.556 -0.000 0.000 0.371 152 H C 0.385 175.719 175.328 0.011 0.000 1.151 152 H CA -0.859 55.196 56.048 0.012 0.000 1.165 152 H CB 0.409 30.175 29.762 0.007 0.000 1.722 152 H HN -0.044 nan 8.280 nan 0.000 0.543 153 D N 2.421 122.869 120.400 0.080 0.000 2.204 153 D HA -0.317 4.323 4.640 -0.000 0.000 0.189 153 D C 2.212 178.486 176.300 -0.044 0.000 1.006 153 D CA 2.931 56.943 54.000 0.019 0.000 0.855 153 D CB -0.687 40.147 40.800 0.058 0.000 0.946 153 D HN 0.749 nan 8.370 nan 0.000 0.448 154 A N 0.025 122.853 122.820 0.013 0.000 2.032 154 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 154 A C 2.179 179.675 177.584 -0.146 0.000 1.165 154 A CA 2.182 54.204 52.037 -0.025 0.000 0.645 154 A CB -0.509 18.557 19.000 0.110 0.000 0.807 154 A HN 0.306 nan 8.150 nan 0.000 0.453 155 V N -3.746 115.954 119.914 -0.358 0.000 3.578 155 V HA 0.375 4.495 4.120 -0.000 0.000 0.290 155 V C 0.714 176.717 176.094 -0.150 0.000 1.376 155 V CA 0.060 62.208 62.300 -0.254 0.000 1.083 155 V CB -0.410 31.219 31.823 -0.324 0.000 0.911 155 V HN 0.311 nan 8.190 nan 0.000 0.433 156 L N 2.072 123.215 121.223 -0.133 0.000 2.796 156 L HA 0.489 4.829 4.340 -0.000 0.000 0.235 156 L C -0.574 176.274 176.870 -0.036 0.000 1.344 156 L CA -0.012 54.795 54.840 -0.055 0.000 1.245 156 L CB 0.329 42.365 42.059 -0.037 0.000 1.556 156 L HN 0.174 nan 8.230 nan 0.000 0.423 157 V N -0.239 119.654 119.914 -0.035 0.000 3.007 157 V HA 0.872 4.992 4.120 -0.000 0.000 0.311 157 V C -0.166 175.915 176.094 -0.020 0.000 1.120 157 V CA -0.659 61.623 62.300 -0.031 0.000 0.980 157 V CB 2.092 33.887 31.823 -0.048 0.000 1.033 157 V HN 0.393 nan 8.190 nan 0.000 0.429 158 A N 1.563 124.372 122.820 -0.018 0.000 2.566 158 A HA 0.980 5.300 4.320 -0.000 0.000 0.292 158 A C -0.300 177.275 177.584 -0.015 0.000 1.112 158 A CA -0.274 51.757 52.037 -0.011 0.000 0.707 158 A CB 1.569 20.568 19.000 -0.002 0.000 1.302 158 A HN 1.653 nan 8.150 nan 0.000 0.409 159 A N 0.225 123.041 122.820 -0.008 0.000 2.425 159 A HA 0.555 4.875 4.320 -0.000 0.000 0.249 159 A C 0.918 178.503 177.584 0.002 0.000 1.084 159 A CA 0.432 52.466 52.037 -0.004 0.000 0.781 159 A CB -0.336 18.669 19.000 0.008 0.000 1.019 159 A HN 1.961 nan 8.150 nan 0.000 0.490 168 V N -0.009 119.893 119.914 -0.019 0.000 2.769 168 V HA 0.965 5.085 4.120 -0.000 0.000 0.312 168 V C -2.509 173.578 176.094 -0.013 0.000 1.061 168 V CA -3.056 59.237 62.300 -0.012 0.000 0.931 168 V CB 2.360 34.179 31.823 -0.005 0.000 1.010 168 V HN 0.568 nan 8.190 nan 0.000 0.433 169 P HA 0.170 nan 4.420 nan 0.000 0.267 169 P C 0.698 177.996 177.300 -0.004 0.000 1.205 169 P CA 0.393 63.488 63.100 -0.008 0.000 0.765 169 P CB 1.003 32.700 31.700 -0.004 0.000 0.828 170 T N -1.083 113.469 114.554 -0.004 0.000 3.107 170 T HA 0.126 4.476 4.350 -0.000 0.000 0.249 170 T C 0.683 175.385 174.700 0.004 0.000 1.096 170 T CA 0.016 62.117 62.100 0.000 0.000 1.012 170 T CB -0.152 68.717 68.868 0.002 0.000 0.977 170 T HN 0.431 nan 8.240 nan 0.000 0.527 171 S N 0.108 115.811 115.700 0.005 0.000 2.599 171 S HA 0.775 5.245 4.470 -0.000 0.000 0.287 171 S C -0.348 174.258 174.600 0.009 0.000 1.105 171 S CA -0.556 57.649 58.200 0.009 0.000 0.899 171 S CB 1.465 64.673 63.200 0.014 0.000 1.100 171 S HN 0.633 nan 8.310 nan 0.000 0.482 172 A N 1.115 123.942 122.820 0.012 0.000 2.332 172 A HA 0.647 4.967 4.320 -0.000 0.000 0.258 172 A C 1.357 178.950 177.584 0.015 0.000 1.087 172 A CA 0.208 52.252 52.037 0.012 0.000 0.802 172 A CB -0.793 18.215 19.000 0.013 0.000 1.042 172 A HN 2.324 nan 8.150 nan 0.000 0.489 173 G N -0.817 107.991 108.800 0.014 0.000 2.176 173 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.253 173 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.253 173 G C 0.090 175.001 174.900 0.017 0.000 0.979 173 G CA 0.223 45.334 45.100 0.017 0.000 0.641 173 G HN 1.461 nan 8.290 nan 0.000 0.530 174 V N 2.395 122.317 119.914 0.013 0.000 2.333 174 V HA 0.431 4.551 4.120 -0.000 0.000 0.274 174 V C -1.562 174.536 176.094 0.007 0.000 1.028 174 V CA -1.592 60.715 62.300 0.011 0.000 0.851 174 V CB 1.391 33.217 31.823 0.005 0.000 1.000 174 V HN 0.122 nan 8.190 nan 0.000 0.456 175 P HA 0.070 nan 4.420 nan 0.000 0.266 175 P C 0.863 178.164 177.300 0.001 0.000 1.195 175 P CA -0.029 63.075 63.100 0.006 0.000 0.768 175 P CB 0.685 32.390 31.700 0.007 0.000 0.838 176 E N 2.328 122.529 120.200 0.001 0.000 2.160 176 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 176 E C 1.921 178.518 176.600 -0.005 0.000 0.991 176 E CA 1.722 58.120 56.400 -0.002 0.000 0.810 176 E CB -0.768 28.932 29.700 -0.000 0.000 0.742 176 E HN 0.537 nan 8.360 nan 0.000 0.466 177 A N 0.929 123.747 122.820 -0.002 0.000 1.933 177 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 177 A C 2.601 180.180 177.584 -0.008 0.000 1.175 177 A CA 1.349 53.384 52.037 -0.004 0.000 0.628 177 A CB -0.480 18.520 19.000 -0.001 0.000 0.814 177 A HN 0.147 nan 8.150 nan 0.000 0.444 178 V N -0.400 119.511 119.914 -0.005 0.000 2.323 178 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 178 V C 3.042 179.125 176.094 -0.018 0.000 1.041 178 V CA 1.706 64.002 62.300 -0.006 0.000 1.025 178 V CB -1.146 30.680 31.823 0.005 0.000 0.656 178 V HN 0.588 nan 8.190 nan 0.000 0.451 179 A N 0.026 122.835 122.820 -0.019 0.000 1.940 179 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 179 A C 2.323 179.881 177.584 -0.042 0.000 1.176 179 A CA 1.694 53.713 52.037 -0.030 0.000 0.631 179 A CB -0.529 18.458 19.000 -0.021 0.000 0.814 179 A HN 0.503 nan 8.150 nan 0.000 0.446 180 R N -0.540 119.939 120.500 -0.035 0.000 2.193 180 R HA 0.018 4.358 4.340 -0.000 0.000 0.229 180 R C 1.232 177.488 176.300 -0.074 0.000 1.110 180 R CA 0.923 56.998 56.100 -0.043 0.000 0.988 180 R CB -0.378 29.908 30.300 -0.023 0.000 0.871 180 R HN 0.514 nan 8.270 nan 0.000 0.458 181 L N 0.254 121.435 121.223 -0.070 0.000 2.599 181 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 181 L C 0.151 176.945 176.870 -0.128 0.000 1.141 181 L CA 0.393 55.178 54.840 -0.091 0.000 0.877 181 L CB 0.092 42.117 42.059 -0.056 0.000 1.009 181 L HN -0.041 nan 8.230 nan 0.000 0.447 182 T N 1.334 115.811 114.554 -0.130 0.000 2.792 182 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 182 T C -0.147 174.439 174.700 -0.190 0.000 0.990 182 T CA -0.357 61.653 62.100 -0.150 0.000 0.960 182 T CB 1.967 70.772 68.868 -0.106 0.000 0.939 182 T HN -0.059 nan 8.240 nan 0.000 0.439 183 L N 2.825 123.895 121.223 -0.255 0.000 2.360 183 L HA 0.852 5.192 4.340 -0.000 0.000 0.271 183 L C -0.594 176.146 176.870 -0.217 0.000 1.057 183 L CA -1.118 53.557 54.840 -0.275 0.000 0.803 183 L CB 1.427 43.240 42.059 -0.410 0.000 1.207 183 L HN 0.288 nan 8.230 nan 0.000 0.445 184 V N 0.160 119.982 119.914 -0.153 0.000 2.668 184 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 184 V C -0.218 175.847 176.094 -0.049 0.000 1.071 184 V CA -0.515 61.712 62.300 -0.122 0.000 0.894 184 V CB 1.979 33.767 31.823 -0.058 0.000 1.008 184 V HN 0.954 nan 8.190 nan 0.000 0.425 185 T N 2.651 117.192 114.554 -0.021 0.000 2.887 185 T HA 0.752 5.102 4.350 -0.000 0.000 0.292 185 T C -3.198 171.674 174.700 0.286 0.000 1.087 185 T CA -2.566 59.615 62.100 0.134 0.000 1.009 185 T CB 2.420 71.408 68.868 0.201 0.000 1.203 185 T HN 0.361 nan 8.240 nan 0.000 0.518 186 P HA 0.189 nan 4.420 nan 0.000 0.268 186 P C -1.031 176.374 177.300 0.175 0.000 1.205 186 P CA -0.333 62.874 63.100 0.179 0.000 0.771 186 P CB 0.036 31.771 31.700 0.059 0.000 0.858 187 Y N 3.344 123.606 120.300 -0.063 0.000 2.480 187 Y HA -0.007 4.543 4.550 -0.000 0.000 0.338 187 Y C 1.361 176.753 175.900 -0.846 0.000 1.220 187 Y CA 0.882 58.716 58.100 -0.444 0.000 1.430 187 Y CB 0.014 38.336 38.460 -0.229 0.000 1.311 187 Y HN 0.477 nan 8.280 nan 0.000 0.575 188 N N 1.665 118.916 118.700 -2.417 0.000 2.815 188 N HA -0.274 4.466 4.740 -0.000 0.000 0.247 188 N C -1.164 173.820 175.510 -0.876 0.000 1.030 188 N CA 1.441 53.426 53.050 -1.774 0.000 0.881 188 N CB -1.144 36.868 38.487 -0.792 0.000 1.134 188 N HN 0.675 nan 8.380 nan 0.000 0.582 189 D N 0.986 120.989 120.400 -0.662 0.000 2.479 189 D HA 0.302 4.942 4.640 -0.000 0.000 0.218 189 D C 1.365 177.657 176.300 -0.013 0.000 1.131 189 D CA -0.274 53.604 54.000 -0.204 0.000 0.916 189 D CB 0.627 41.382 40.800 -0.075 0.000 1.022 189 D HN -0.096 nan 8.370 nan 0.000 0.515 190 V N 3.550 123.476 119.914 0.021 0.000 2.343 190 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 190 V C 2.373 178.525 176.094 0.097 0.000 1.051 190 V CA 1.971 64.336 62.300 0.109 0.000 1.036 190 V CB -0.468 31.390 31.823 0.058 0.000 0.654 190 V HN 0.533 nan 8.190 nan 0.000 0.451 191 E N 1.333 121.567 120.200 0.057 0.000 2.033 191 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 191 E C 2.104 178.759 176.600 0.092 0.000 1.011 191 E CA 2.157 58.592 56.400 0.057 0.000 0.815 191 E CB -0.614 29.105 29.700 0.032 0.000 0.755 191 E HN 0.481 nan 8.360 nan 0.000 0.451 192 A N 0.341 123.222 122.820 0.102 0.000 1.933 192 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 192 A C 2.233 179.943 177.584 0.211 0.000 1.175 192 A CA 1.511 53.629 52.037 0.135 0.000 0.628 192 A CB -0.826 18.250 19.000 0.126 0.000 0.814 192 A HN 0.424 nan 8.150 nan 0.000 0.444 193 L N 0.281 121.670 121.223 0.276 0.000 2.017 193 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 193 L C 2.094 179.179 176.870 0.357 0.000 1.073 193 L CA 2.521 57.599 54.840 0.395 0.000 0.745 193 L CB -0.748 41.574 42.059 0.437 0.000 0.894 193 L HN 0.528 nan 8.230 nan 0.000 0.432 194 E N -0.759 119.578 120.200 0.227 0.000 2.106 194 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 194 E C 2.282 179.000 176.600 0.197 0.000 0.984 194 E CA 0.987 57.495 56.400 0.179 0.000 0.806 194 E CB -0.208 29.548 29.700 0.093 0.000 0.750 194 E HN 0.455 nan 8.360 nan 0.000 0.458 195 R N 0.862 121.461 120.500 0.164 0.000 2.066 195 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 195 R C 2.396 178.783 176.300 0.145 0.000 1.131 195 R CA 1.034 57.209 56.100 0.126 0.000 0.955 195 R CB -0.376 29.981 30.300 0.095 0.000 0.851 195 R HN 0.099 nan 8.270 nan 0.000 0.432 196 V N 0.447 120.473 119.914 0.187 0.000 2.490 196 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 196 V C 1.660 177.850 176.094 0.161 0.000 1.061 196 V CA 1.693 64.104 62.300 0.185 0.000 1.064 196 V CB -0.398 31.509 31.823 0.139 0.000 0.670 196 V HN 0.302 nan 8.190 nan 0.000 0.461 197 F N 0.301 120.329 119.950 0.130 0.000 2.293 197 F HA 0.136 4.663 4.527 -0.000 0.000 0.297 197 F C 2.291 178.133 175.800 0.070 0.000 1.089 197 F CA 1.183 59.248 58.000 0.108 0.000 1.377 197 F CB -0.440 38.608 39.000 0.080 0.000 1.051 197 F HN 0.197 nan 8.300 nan 0.000 0.511 198 A N -0.869 122.085 122.820 0.223 0.000 2.168 198 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 198 A C 2.019 179.614 177.584 0.017 0.000 1.152 198 A CA 1.452 53.553 52.037 0.108 0.000 0.716 198 A CB -0.592 18.456 19.000 0.079 0.000 0.794 198 A HN 0.471 nan 8.150 nan 0.000 0.465 199 E N -2.230 117.955 120.200 -0.026 0.000 2.251 199 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 199 E C 0.864 177.195 176.600 -0.448 0.000 0.964 199 E CA 0.478 56.729 56.400 -0.248 0.000 0.868 199 E CB 0.072 29.590 29.700 -0.303 0.000 0.828 199 E HN 0.665 nan 8.360 nan 0.000 0.481 200 Y N -0.597 119.675 120.300 -0.046 0.000 2.430 200 Y HA 0.317 4.867 4.550 0.000 0.000 0.254 200 Y C 1.467 177.335 175.900 -0.052 0.000 1.088 200 Y CA 0.169 58.225 58.100 -0.074 0.000 1.267 200 Y CB 0.742 39.116 38.460 -0.144 0.000 1.204 200 Y HN 0.194 nan 8.280 nan 0.000 0.515 201 G N 1.917 110.787 108.800 0.118 0.000 2.684 201 G HA2 -0.494 3.466 3.960 -0.000 0.000 0.342 201 G HA3 -0.494 3.466 3.960 -0.000 0.000 0.342 201 G C 0.892 175.872 174.900 0.132 0.000 1.316 201 G CA 1.232 46.423 45.100 0.153 0.000 0.994 201 G HN 0.469 nan 8.290 nan 0.000 0.541 202 D N 0.788 121.252 120.400 0.107 0.000 2.390 202 D HA 0.019 4.659 4.640 -0.000 0.000 0.235 202 D C 2.011 178.348 176.300 0.061 0.000 1.040 202 D CA 0.784 54.836 54.000 0.088 0.000 0.923 202 D CB -0.274 40.566 40.800 0.067 0.000 0.886 202 D HN 0.591 nan 8.370 nan 0.000 0.532 203 R N -0.314 120.220 120.500 0.057 0.000 2.276 203 R HA 0.281 4.621 4.340 -0.000 0.000 0.196 203 R C 0.505 176.798 176.300 -0.012 0.000 0.961 203 R CA -0.077 56.045 56.100 0.036 0.000 1.024 203 R CB 0.363 30.709 30.300 0.076 0.000 0.940 203 R HN 0.246 nan 8.270 nan 0.000 0.480 204 I N 1.049 121.597 120.570 -0.036 0.000 2.379 204 I HA 0.031 4.201 4.170 -0.000 0.000 0.290 204 I C 1.245 177.353 176.117 -0.015 0.000 1.063 204 I CA -0.246 60.994 61.300 -0.100 0.000 1.351 204 I CB 1.571 39.423 38.000 -0.247 0.000 1.410 204 I HN 0.123 nan 8.210 nan 0.000 0.505 205 A N 5.459 128.267 122.820 -0.021 0.000 1.898 205 A HA 0.345 4.665 4.320 -0.000 0.000 0.214 205 A C 1.100 178.709 177.584 0.042 0.000 1.183 205 A CA 1.161 53.212 52.037 0.024 0.000 0.622 205 A CB -0.147 18.861 19.000 0.013 0.000 0.824 205 A HN 0.799 nan 8.150 nan 0.000 0.444 206 G N -2.490 106.315 108.800 0.008 0.000 2.646 206 G HA2 0.491 4.451 3.960 -0.000 0.000 0.291 206 G HA3 0.491 4.451 3.960 -0.000 0.000 0.291 206 G C -1.772 173.130 174.900 0.004 0.000 1.445 206 G CA -0.231 44.883 45.100 0.025 0.000 0.814 206 G HN 0.400 nan 8.290 nan 0.000 0.495 207 V N 1.518 121.463 119.914 0.051 0.000 2.407 207 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 207 V C -0.134 175.999 176.094 0.065 0.000 1.018 207 V CA -0.631 61.710 62.300 0.069 0.000 0.842 207 V CB 1.239 33.191 31.823 0.214 0.000 0.996 207 V HN 0.721 nan 8.190 nan 0.000 0.426 208 I N 5.433 126.006 120.570 0.005 0.000 2.392 208 I HA 0.822 4.991 4.170 -0.000 0.000 0.295 208 I C -0.924 175.305 176.117 0.187 0.000 0.985 208 I CA -0.376 60.901 61.300 -0.039 0.000 1.221 208 I CB 1.700 39.507 38.000 -0.322 0.000 1.366 208 I HN 0.502 nan 8.210 nan 0.000 0.467 209 V N 6.498 126.584 119.914 0.287 0.000 3.167 209 V HA 0.374 4.494 4.120 -0.000 0.000 0.293 209 V C -1.384 174.969 176.094 0.432 0.000 1.379 209 V CA -0.523 62.096 62.300 0.532 0.000 1.019 209 V CB 2.528 34.654 31.823 0.506 0.000 1.115 209 V HN 0.815 nan 8.190 nan 0.000 0.442 210 E N 5.736 126.204 120.200 0.447 0.000 2.167 210 E HA 0.324 4.674 4.350 -0.000 0.000 0.284 210 E C -2.001 174.788 176.600 0.315 0.000 1.016 210 E CA -1.647 54.932 56.400 0.299 0.000 0.817 210 E CB 1.911 31.710 29.700 0.164 0.000 1.080 210 E HN 0.515 nan 8.360 nan 0.000 0.397 211 P HA -0.148 nan 4.420 nan 0.000 0.217 211 P C -0.253 177.182 177.300 0.225 0.000 1.148 211 P CA 0.978 64.199 63.100 0.201 0.000 0.828 211 P CB 0.337 32.187 31.700 0.250 0.000 0.783 212 V N -0.072 119.990 119.914 0.247 0.000 2.524 212 V HA 0.225 4.345 4.120 -0.000 0.000 0.297 212 V C 0.052 176.197 176.094 0.085 0.000 1.035 212 V CA -0.917 61.508 62.300 0.207 0.000 0.867 212 V CB 2.143 34.109 31.823 0.239 0.000 1.004 212 V HN -0.116 nan 8.190 nan 0.000 0.426 213 I N 3.518 124.033 120.570 -0.092 0.000 2.648 213 I HA 0.230 4.400 4.170 -0.000 0.000 0.284 213 I C 1.113 177.197 176.117 -0.055 0.000 1.153 213 I CA 0.572 61.748 61.300 -0.207 0.000 1.426 213 I CB 1.496 39.197 38.000 -0.499 0.000 1.381 213 I HN 0.806 nan 8.210 nan 0.000 0.571 214 A N 5.175 127.989 122.820 -0.010 0.000 2.551 214 A HA 0.233 4.553 4.320 -0.000 0.000 0.252 214 A C 0.780 178.371 177.584 0.012 0.000 1.199 214 A CA -0.206 51.854 52.037 0.039 0.000 0.972 214 A CB 0.143 19.251 19.000 0.179 0.000 1.153 214 A HN 0.751 nan 8.150 nan 0.000 0.559 215 N N 0.363 119.046 118.700 -0.029 0.000 2.291 215 N HA 0.341 5.081 4.740 -0.000 0.000 0.244 215 N C 0.027 175.478 175.510 -0.098 0.000 1.216 215 N CA 0.795 53.800 53.050 -0.076 0.000 0.879 215 N CB 1.365 39.819 38.487 -0.056 0.000 1.167 215 N HN 0.362 nan 8.380 nan 0.000 0.515 216 A N 0.204 122.979 122.820 -0.075 0.000 3.292 216 A HA 0.609 4.929 4.320 -0.000 0.000 0.231 216 A C 0.842 178.453 177.584 0.046 0.000 0.952 216 A CA -0.004 52.002 52.037 -0.051 0.000 1.044 216 A CB -0.170 18.780 19.000 -0.084 0.000 1.236 216 A HN 0.239 nan 8.150 nan 0.000 0.525 217 G N -0.744 108.071 108.800 0.026 0.000 2.697 217 G HA2 0.027 3.986 3.960 -0.000 0.000 0.240 217 G HA3 0.027 3.986 3.960 -0.000 0.000 0.240 217 G C -0.265 174.687 174.900 0.088 0.000 1.346 217 G CA -0.250 44.902 45.100 0.087 0.000 0.887 217 G HN 1.292 nan 8.290 nan 0.000 0.569 218 V N 0.749 120.748 119.914 0.141 0.000 2.394 218 V HA 0.651 4.771 4.120 -0.000 0.000 0.282 218 V C 0.579 176.757 176.094 0.139 0.000 1.031 218 V CA -0.228 62.116 62.300 0.074 0.000 0.881 218 V CB 1.264 33.091 31.823 0.007 0.000 0.982 218 V HN 0.639 nan 8.190 nan 0.000 0.451 219 I N 7.436 128.033 120.570 0.046 0.000 2.497 219 I HA 0.365 4.535 4.170 -0.000 0.000 0.284 219 I C -2.455 173.724 176.117 0.102 0.000 1.060 219 I CA -1.786 59.534 61.300 0.034 0.000 1.071 219 I CB 2.669 40.626 38.000 -0.071 0.000 1.216 219 I HN 0.436 nan 8.210 nan 0.000 0.442 220 P HA 0.250 nan 4.420 nan 0.000 0.272 220 P C -2.722 174.660 177.300 0.137 0.000 1.230 220 P CA -1.413 61.783 63.100 0.159 0.000 0.788 220 P CB 0.293 32.091 31.700 0.163 0.000 0.949 221 P HA 0.346 nan 4.420 nan 0.000 0.290 221 P C -0.348 176.871 177.300 -0.135 0.000 1.275 221 P CA -0.561 62.481 63.100 -0.096 0.000 0.841 221 P CB 1.268 32.829 31.700 -0.231 0.000 1.042 222 R N 1.211 121.632 120.500 -0.132 0.000 2.490 222 R HA 0.213 4.553 4.340 -0.000 0.000 0.280 222 R C 1.809 178.067 176.300 -0.070 0.000 1.077 222 R CA -0.322 55.725 56.100 -0.088 0.000 1.065 222 R CB 0.670 30.910 30.300 -0.100 0.000 1.003 222 R HN 0.518 nan 8.270 nan 0.000 0.470 223 R N 1.596 122.063 120.500 -0.055 0.000 2.120 223 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 223 R C 0.884 177.155 176.300 -0.049 0.000 1.123 223 R CA 1.689 57.758 56.100 -0.052 0.000 0.975 223 R CB 0.224 30.511 30.300 -0.022 0.000 0.866 223 R HN 0.555 nan 8.270 nan 0.000 0.446 224 E N -0.451 119.731 120.200 -0.030 0.000 2.152 224 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 224 E C 1.349 177.946 176.600 -0.005 0.000 0.983 224 E CA 0.843 57.230 56.400 -0.022 0.000 0.818 224 E CB -0.300 29.392 29.700 -0.013 0.000 0.758 224 E HN 0.260 nan 8.360 nan 0.000 0.467 225 F N 0.936 120.767 119.950 -0.199 0.000 2.113 225 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 225 F C 1.687 177.337 175.800 -0.250 0.000 1.103 225 F CA 1.236 59.075 58.000 -0.268 0.000 1.248 225 F CB -0.380 38.371 39.000 -0.416 0.000 0.999 225 F HN -0.042 nan 8.300 nan 0.000 0.475 226 L N -0.138 120.927 121.223 -0.264 0.000 2.012 226 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 226 L C 2.780 179.505 176.870 -0.241 0.000 1.073 226 L CA 1.378 56.026 54.840 -0.320 0.000 0.748 226 L CB -1.364 40.562 42.059 -0.221 0.000 0.891 226 L HN 0.230 nan 8.230 nan 0.000 0.431 227 A N -0.024 122.701 122.820 -0.158 0.000 1.902 227 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 227 A C 2.527 180.025 177.584 -0.144 0.000 1.181 227 A CA 1.732 53.697 52.037 -0.121 0.000 0.623 227 A CB -0.680 18.273 19.000 -0.079 0.000 0.818 227 A HN 0.414 nan 8.150 nan 0.000 0.443 228 A N -0.298 122.426 122.820 -0.160 0.000 1.933 228 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 228 A C 2.163 179.610 177.584 -0.228 0.000 1.175 228 A CA 1.417 53.356 52.037 -0.162 0.000 0.628 228 A CB -0.581 18.358 19.000 -0.102 0.000 0.814 228 A HN 0.471 nan 8.150 nan 0.000 0.444 229 L N -0.828 120.206 121.223 -0.315 0.000 2.012 229 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 229 L C 2.950 179.702 176.870 -0.195 0.000 1.073 229 L CA 1.883 56.548 54.840 -0.291 0.000 0.748 229 L CB -0.642 41.162 42.059 -0.425 0.000 0.891 229 L HN 0.481 nan 8.230 nan 0.000 0.431 230 Q N -0.680 119.017 119.800 -0.173 0.000 2.079 230 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 230 Q C 2.319 178.246 176.000 -0.122 0.000 0.974 230 Q CA 1.438 57.169 55.803 -0.119 0.000 0.840 230 Q CB -0.185 28.496 28.738 -0.095 0.000 0.898 230 Q HN 0.375 nan 8.270 nan 0.000 0.430 231 R N 0.846 121.262 120.500 -0.141 0.000 2.062 231 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 231 R C 2.189 178.373 176.300 -0.193 0.000 1.136 231 R CA 1.056 57.074 56.100 -0.137 0.000 0.948 231 R CB -0.191 30.035 30.300 -0.124 0.000 0.845 231 R HN 0.212 nan 8.270 nan 0.000 0.430 232 L N 0.827 121.866 121.223 -0.307 0.000 2.046 232 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 232 L C 2.730 179.291 176.870 -0.515 0.000 1.077 232 L CA 1.660 56.164 54.840 -0.559 0.000 0.747 232 L CB -0.485 40.988 42.059 -0.977 0.000 0.896 232 L HN 0.397 nan 8.230 nan 0.000 0.432 233 S N -0.302 115.221 115.700 -0.295 0.000 2.383 233 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 233 S C 2.097 176.681 174.600 -0.027 0.000 1.026 233 S CA 0.897 59.062 58.200 -0.058 0.000 0.981 233 S CB -0.415 62.796 63.200 0.018 0.000 0.818 233 S HN 0.358 nan 8.310 nan 0.000 0.472 234 R N 1.436 121.899 120.500 -0.061 0.000 2.081 234 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 234 R C 2.205 178.492 176.300 -0.022 0.000 1.131 234 R CA 1.811 57.892 56.100 -0.031 0.000 0.960 234 R CB -0.270 30.004 30.300 -0.044 0.000 0.856 234 R HN 0.630 nan 8.270 nan 0.000 0.436 235 E N -0.231 119.936 120.200 -0.055 0.000 2.208 235 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 235 E C 1.780 178.383 176.600 0.004 0.000 0.988 235 E CA 1.369 57.748 56.400 -0.034 0.000 0.828 235 E CB 0.138 29.800 29.700 -0.063 0.000 0.763 235 E HN 0.431 nan 8.360 nan 0.000 0.478 236 S N -0.933 114.780 115.700 0.023 0.000 2.524 236 S HA 0.197 4.667 4.470 -0.000 0.000 0.216 236 S C 1.694 176.367 174.600 0.122 0.000 0.987 236 S CA 0.359 58.629 58.200 0.117 0.000 0.909 236 S CB 0.638 64.008 63.200 0.282 0.000 0.781 236 S HN 0.356 nan 8.310 nan 0.000 0.521 237 G N 0.958 109.817 108.800 0.099 0.000 2.176 237 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.253 237 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.253 237 G C 0.278 175.262 174.900 0.140 0.000 0.979 237 G CA -0.056 45.110 45.100 0.110 0.000 0.641 237 G HN 1.291 nan 8.290 nan 0.000 0.530 238 A N 0.524 123.442 122.820 0.163 0.000 2.425 238 A HA 0.679 4.999 4.320 -0.000 0.000 0.249 238 A C 0.694 178.352 177.584 0.124 0.000 1.084 238 A CA -0.086 52.052 52.037 0.168 0.000 0.781 238 A CB 0.317 19.472 19.000 0.258 0.000 1.019 238 A HN 0.835 nan 8.150 nan 0.000 0.490 239 L N 2.210 123.489 121.223 0.092 0.000 2.331 239 L HA 0.233 4.573 4.340 -0.000 0.000 0.278 239 L C -0.130 176.763 176.870 0.038 0.000 1.106 239 L CA -0.686 54.176 54.840 0.036 0.000 0.824 239 L CB 0.924 42.976 42.059 -0.012 0.000 1.142 239 L HN 0.657 nan 8.230 nan 0.000 0.443 240 L N 5.724 126.959 121.223 0.019 0.000 2.278 240 L HA 0.372 4.712 4.340 -0.000 0.000 0.287 240 L C -0.274 176.601 176.870 0.008 0.000 1.072 240 L CA 0.340 55.194 54.840 0.024 0.000 0.819 240 L CB 0.374 42.434 42.059 0.001 0.000 1.176 240 L HN 0.346 nan 8.230 nan 0.000 0.435 241 I N 6.847 127.428 120.570 0.018 0.000 2.306 241 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 241 I C -0.459 175.678 176.117 0.033 0.000 1.036 241 I CA -0.374 60.929 61.300 0.004 0.000 1.221 241 I CB 0.703 38.688 38.000 -0.025 0.000 1.385 241 I HN 0.445 nan 8.210 nan 0.000 0.472 242 L N 5.789 127.036 121.223 0.040 0.000 2.283 242 L HA 0.205 4.545 4.340 -0.000 0.000 0.287 242 L C 0.280 177.205 176.870 0.092 0.000 1.073 242 L CA -0.299 54.586 54.840 0.075 0.000 0.822 242 L CB 0.379 42.476 42.059 0.063 0.000 1.186 242 L HN 0.532 nan 8.230 nan 0.000 0.436 243 D N 4.492 124.976 120.400 0.141 0.000 2.402 243 D HA 0.015 4.654 4.640 -0.000 0.000 0.235 243 D C 0.386 176.784 176.300 0.164 0.000 1.226 243 D CA 0.137 54.237 54.000 0.167 0.000 0.918 243 D CB 0.645 41.626 40.800 0.302 0.000 1.043 243 D HN 0.504 nan 8.370 nan 0.000 0.506 244 E N 2.703 122.978 120.200 0.126 0.000 2.496 244 E HA 0.048 4.397 4.350 -0.000 0.000 0.202 244 E C 1.605 178.278 176.600 0.121 0.000 1.021 244 E CA -0.164 56.305 56.400 0.115 0.000 1.015 244 E CB 0.916 30.662 29.700 0.076 0.000 1.102 244 E HN 0.322 nan 8.360 nan 0.000 0.452 245 V N 0.329 120.321 119.914 0.130 0.000 2.380 245 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 245 V C 2.004 178.165 176.094 0.111 0.000 1.063 245 V CA 1.493 63.867 62.300 0.124 0.000 1.055 245 V CB -0.161 31.733 31.823 0.119 0.000 0.657 245 V HN 0.216 nan 8.190 nan 0.000 0.455 246 V N -0.102 119.883 119.914 0.119 0.000 2.581 246 V HA -0.107 4.013 4.120 -0.000 0.000 0.240 246 V C 2.668 178.825 176.094 0.105 0.000 1.054 246 V CA 1.858 64.221 62.300 0.105 0.000 1.076 246 V CB -0.289 31.640 31.823 0.176 0.000 0.748 246 V HN 0.762 nan 8.190 nan 0.000 0.474 247 T N -0.661 113.960 114.554 0.112 0.000 2.951 247 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 247 T C 1.275 175.986 174.700 0.019 0.000 1.073 247 T CA 0.783 62.927 62.100 0.072 0.000 1.134 247 T CB -0.710 68.215 68.868 0.096 0.000 0.884 247 T HN 0.473 nan 8.240 nan 0.000 0.479 248 G N 0.496 109.322 108.800 0.043 0.000 2.254 248 G HA2 0.332 4.292 3.960 -0.000 0.000 0.253 248 G HA3 0.332 4.292 3.960 -0.000 0.000 0.253 248 G C -0.078 174.885 174.900 0.106 0.000 1.246 248 G CA -0.498 44.595 45.100 -0.012 0.000 0.946 248 G HN 0.365 nan 8.290 nan 0.000 0.474 249 F N -0.549 119.413 119.950 0.020 0.000 2.935 249 F HA -0.255 4.272 4.527 -0.000 0.000 0.317 249 F C 1.948 177.834 175.800 0.143 0.000 0.699 249 F CA 1.517 59.548 58.000 0.051 0.000 1.127 249 F CB -1.103 37.927 39.000 0.049 0.000 1.491 249 F HN 0.595 nan 8.300 nan 0.000 0.337 250 R N 0.563 121.161 120.500 0.163 0.000 2.142 250 R HA 0.298 4.638 4.340 -0.000 0.000 0.204 250 R C 0.958 177.285 176.300 0.044 0.000 1.059 250 R CA 0.315 56.524 56.100 0.182 0.000 1.055 250 R CB 0.141 30.500 30.300 0.099 0.000 0.976 250 R HN 0.352 nan 8.270 nan 0.000 0.483 251 L N 2.584 123.704 121.223 -0.171 0.000 2.796 251 L HA 0.351 4.691 4.340 -0.000 0.000 0.235 251 L C -0.017 176.570 176.870 -0.472 0.000 1.344 251 L CA -0.058 54.514 54.840 -0.447 0.000 1.245 251 L CB 0.328 42.030 42.059 -0.595 0.000 1.556 251 L HN 0.525 nan 8.230 nan 0.000 0.423 252 G N -0.393 107.963 108.800 -0.740 0.000 2.730 252 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.686 252 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.686 252 G C 0.343 174.873 174.900 -0.618 0.000 1.343 252 G CA -0.596 43.889 45.100 -1.025 0.000 0.826 252 G HN 0.245 nan 8.290 nan 0.000 0.582 253 L N -0.024 120.900 121.223 -0.499 0.000 2.127 253 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 253 L C 2.539 179.037 176.870 -0.619 0.000 1.089 253 L CA 2.043 56.615 54.840 -0.446 0.000 0.757 253 L CB -0.271 41.352 42.059 -0.726 0.000 0.899 253 L HN 0.751 nan 8.230 nan 0.000 0.434 254 E N -0.189 119.778 120.200 -0.389 0.000 2.489 254 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 254 E C 1.241 177.671 176.600 -0.284 0.000 1.057 254 E CA 0.303 56.556 56.400 -0.245 0.000 0.866 254 E CB 0.184 29.835 29.700 -0.082 0.000 0.916 254 E HN 0.474 nan 8.360 nan 0.000 0.500 255 G N 1.511 110.088 108.800 -0.371 0.000 2.575 255 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.267 255 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.267 255 G C 0.969 175.796 174.900 -0.122 0.000 1.264 255 G CA 0.095 45.030 45.100 -0.274 0.000 0.935 255 G HN 0.338 nan 8.290 nan 0.000 0.568 256 A N -1.383 121.422 122.820 -0.024 0.000 1.908 256 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 256 A C 2.429 180.116 177.584 0.172 0.000 1.181 256 A CA 2.572 54.697 52.037 0.147 0.000 0.627 256 A CB -0.621 18.538 19.000 0.264 0.000 0.818 256 A HN 0.816 nan 8.150 nan 0.000 0.445 257 Q N -0.992 118.858 119.800 0.083 0.000 2.077 257 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 257 Q C 2.213 178.238 176.000 0.042 0.000 0.989 257 Q CA 1.479 57.322 55.803 0.067 0.000 0.853 257 Q CB -0.463 28.289 28.738 0.023 0.000 0.907 257 Q HN 0.695 nan 8.270 nan 0.000 0.418 258 G N -0.615 108.183 108.800 -0.004 0.000 2.403 258 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 258 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 258 G C 1.128 175.993 174.900 -0.058 0.000 1.154 258 G CA 0.326 45.409 45.100 -0.029 0.000 0.784 258 G HN 0.293 nan 8.290 nan 0.000 0.538 259 Y N 0.445 120.605 120.300 -0.234 0.000 2.163 259 Y HA 0.047 4.596 4.550 -0.000 0.000 0.288 259 Y C 1.734 177.367 175.900 -0.445 0.000 1.136 259 Y CA 1.269 59.121 58.100 -0.415 0.000 1.147 259 Y CB 0.001 38.074 38.460 -0.644 0.000 0.987 259 Y HN 0.160 nan 8.280 nan 0.000 0.509 260 F N -0.113 119.876 119.950 0.065 0.000 2.695 260 F HA 0.184 4.711 4.527 0.000 0.000 0.303 260 F C 0.735 176.515 175.800 -0.034 0.000 1.091 260 F CA 0.155 58.155 58.000 0.001 0.000 1.300 260 F CB -0.737 38.303 39.000 0.068 0.000 1.071 260 F HN -0.020 nan 8.300 nan 0.000 0.578 261 N N 1.918 120.667 118.700 0.082 0.000 2.696 261 N HA -0.228 4.512 4.740 -0.000 0.000 0.256 261 N C -0.658 174.886 175.510 0.056 0.000 1.031 261 N CA 0.800 53.873 53.050 0.039 0.000 0.730 261 N CB -1.198 37.291 38.487 0.004 0.000 0.894 261 N HN 0.560 nan 8.380 nan 0.000 0.544 262 I N -3.560 117.055 120.570 0.074 0.000 3.206 262 I HA 0.713 4.883 4.170 -0.000 0.000 0.313 262 I C -0.273 175.860 176.117 0.027 0.000 1.103 262 I CA -0.991 60.336 61.300 0.044 0.000 0.985 262 I CB 2.234 40.266 38.000 0.053 0.000 1.240 262 I HN -0.007 nan 8.210 nan 0.000 0.464 263 E N 0.819 121.022 120.200 0.004 0.000 2.272 263 E HA 0.589 4.939 4.350 -0.000 0.000 0.269 263 E C -0.982 175.612 176.600 -0.010 0.000 0.877 263 E CA -0.832 55.566 56.400 -0.002 0.000 0.755 263 E CB 2.571 32.265 29.700 -0.010 0.000 1.192 263 E HN 0.945 nan 8.360 nan 0.000 0.422 264 G N 1.408 110.204 108.800 -0.007 0.000 2.473 264 G HA2 0.183 4.143 3.960 -0.000 0.000 0.321 264 G HA3 0.183 4.143 3.960 -0.000 0.000 0.321 264 G C 0.071 174.956 174.900 -0.025 0.000 1.200 264 G CA -0.356 44.737 45.100 -0.012 0.000 0.963 264 G HN 0.452 nan 8.290 nan 0.000 0.483 265 D N -0.071 120.306 120.400 -0.037 0.000 2.137 265 D HA 0.005 4.645 4.640 -0.000 0.000 0.202 265 D C 0.656 176.912 176.300 -0.074 0.000 0.970 265 D CA 1.195 55.155 54.000 -0.067 0.000 0.837 265 D CB 0.578 41.326 40.800 -0.086 0.000 0.981 265 D HN 0.205 nan 8.370 nan 0.000 0.475 266 I N 1.966 122.503 120.570 -0.055 0.000 2.436 266 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 266 I C -0.670 175.435 176.117 -0.020 0.000 1.010 266 I CA -0.633 60.637 61.300 -0.050 0.000 1.098 266 I CB 2.594 40.560 38.000 -0.056 0.000 1.266 266 I HN -0.249 nan 8.210 nan 0.000 0.434 267 I N 7.131 127.694 120.570 -0.011 0.000 2.339 267 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 267 I C 0.051 176.183 176.117 0.024 0.000 0.994 267 I CA -0.700 60.608 61.300 0.013 0.000 1.191 267 I CB 1.481 39.491 38.000 0.017 0.000 1.343 267 I HN 0.126 nan 8.210 nan 0.000 0.458 268 V N 7.636 127.575 119.914 0.042 0.000 2.432 268 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 268 V C 0.371 176.518 176.094 0.088 0.000 1.043 268 V CA -0.455 61.878 62.300 0.055 0.000 0.925 268 V CB 1.632 33.490 31.823 0.059 0.000 0.985 268 V HN 0.485 nan 8.190 nan 0.000 0.466 269 L N 3.642 124.928 121.223 0.105 0.000 2.301 269 L HA 1.045 5.385 4.340 -0.000 0.000 0.264 269 L C 0.578 177.538 176.870 0.150 0.000 1.016 269 L CA -0.288 54.645 54.840 0.154 0.000 0.821 269 L CB 2.332 44.520 42.059 0.215 0.000 1.346 269 L HN 0.857 nan 8.230 nan 0.000 0.429 270 G N -0.922 107.975 108.800 0.162 0.000 2.348 270 G HA2 0.229 4.189 3.960 -0.000 0.000 0.296 270 G HA3 0.229 4.189 3.960 -0.000 0.000 0.296 270 G C -0.674 174.289 174.900 0.105 0.000 1.258 270 G CA -0.167 45.011 45.100 0.130 0.000 0.868 270 G HN 0.514 nan 8.290 nan 0.000 0.488 271 K N -0.877 119.563 120.400 0.067 0.000 5.240 271 K HA -0.371 3.949 4.320 -0.000 0.000 0.296 271 K C 2.126 178.733 176.600 0.012 0.000 0.663 271 K CA 2.460 58.760 56.287 0.022 0.000 1.051 271 K CB -1.280 31.213 32.500 -0.012 0.000 0.767 271 K HN 0.394 nan 8.250 nan 0.000 0.850 272 I N 1.640 122.216 120.570 0.010 0.000 2.236 272 I HA -0.280 3.890 4.170 -0.000 0.000 0.249 272 I C 2.489 178.588 176.117 -0.031 0.000 1.102 272 I CA 2.042 63.337 61.300 -0.007 0.000 1.365 272 I CB -0.622 37.404 38.000 0.045 0.000 1.051 272 I HN 0.411 nan 8.210 nan 0.000 0.420 273 I N -1.538 119.032 120.570 -0.001 0.000 3.083 273 I HA -0.027 4.143 4.170 -0.000 0.000 0.273 273 I C 1.919 178.019 176.117 -0.029 0.000 1.297 273 I CA 1.345 62.607 61.300 -0.064 0.000 1.452 273 I CB -0.747 37.277 38.000 0.040 0.000 1.078 273 I HN 0.095 nan 8.210 nan 0.000 0.484 274 G N 0.423 109.229 108.800 0.010 0.000 3.126 274 G HA2 0.325 4.285 3.960 -0.000 0.000 0.224 274 G HA3 0.325 4.285 3.960 -0.000 0.000 0.224 274 G C 1.316 176.267 174.900 0.085 0.000 1.142 274 G CA 0.203 45.326 45.100 0.039 0.000 0.759 274 G HN 0.662 nan 8.290 nan 0.000 0.550 275 G N -0.466 108.355 108.800 0.034 0.000 2.212 275 G HA2 0.149 4.109 3.960 -0.000 0.000 0.267 275 G HA3 0.149 4.109 3.960 -0.000 0.000 0.267 275 G C 1.219 176.181 174.900 0.103 0.000 1.002 275 G CA 1.251 46.386 45.100 0.059 0.000 0.729 275 G HN 1.859 nan 8.290 nan 0.000 0.517 276 G N -2.801 106.023 108.800 0.040 0.000 2.184 276 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.206 276 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.206 276 G C 0.192 174.949 174.900 -0.239 0.000 0.995 276 G CA 0.221 45.265 45.100 -0.094 0.000 0.651 276 G HN 1.020 nan 8.290 nan 0.000 0.511 277 F N 1.116 121.023 119.950 -0.071 0.000 2.483 277 F HA 0.625 5.152 4.527 -0.000 0.000 0.329 277 F C -1.885 173.860 175.800 -0.091 0.000 1.064 277 F CA -2.518 55.423 58.000 -0.099 0.000 0.986 277 F CB 1.204 40.133 39.000 -0.118 0.000 1.218 277 F HN -0.222 nan 8.300 nan 0.000 0.484 278 P HA 0.106 nan 4.420 nan 0.000 0.260 278 P C -0.937 176.392 177.300 0.048 0.000 1.172 278 P CA 0.442 63.544 63.100 0.003 0.000 0.760 278 P CB 0.592 32.253 31.700 -0.065 0.000 0.773 279 V N 2.673 122.625 119.914 0.062 0.000 3.264 279 V HA 0.898 5.018 4.120 -0.000 0.000 0.294 279 V C -0.868 175.294 176.094 0.114 0.000 1.429 279 V CA -0.028 62.330 62.300 0.097 0.000 1.053 279 V CB 2.357 34.236 31.823 0.092 0.000 1.128 279 V HN 0.733 nan 8.190 nan 0.000 0.452 280 G N 1.512 110.408 108.800 0.159 0.000 2.579 280 G HA2 0.936 4.896 3.960 -0.000 0.000 0.292 280 G HA3 0.936 4.896 3.960 -0.000 0.000 0.292 280 G C -1.254 173.760 174.900 0.191 0.000 1.484 280 G CA 0.121 45.308 45.100 0.145 0.000 0.813 280 G HN 1.867 nan 8.290 nan 0.000 0.515 281 A N -0.463 122.438 122.820 0.135 0.000 2.605 281 A HA 0.840 5.160 4.320 -0.000 0.000 0.294 281 A C -1.604 175.985 177.584 0.008 0.000 1.062 281 A CA -0.557 51.521 52.037 0.068 0.000 0.682 281 A CB 1.840 20.890 19.000 0.084 0.000 1.278 281 A HN 1.708 nan 8.150 nan 0.000 0.410 282 V N 0.821 120.699 119.914 -0.061 0.000 2.531 282 V HA 0.774 4.894 4.120 -0.000 0.000 0.301 282 V C 0.223 176.264 176.094 -0.089 0.000 1.034 282 V CA 0.037 62.305 62.300 -0.054 0.000 0.865 282 V CB 1.412 33.203 31.823 -0.054 0.000 0.995 282 V HN 1.650 nan 8.190 nan 0.000 0.424 283 A N 3.373 126.158 122.820 -0.058 0.000 2.374 283 A HA 1.059 5.379 4.320 -0.000 0.000 0.317 283 A C 0.028 177.579 177.584 -0.055 0.000 1.094 283 A CA -0.003 51.997 52.037 -0.063 0.000 0.765 283 A CB 2.044 21.025 19.000 -0.031 0.000 1.268 283 A HN 1.391 nan 8.150 nan 0.000 0.438 284 G N -0.348 108.414 108.800 -0.063 0.000 2.495 284 G HA2 0.608 4.568 3.960 -0.000 0.000 0.294 284 G HA3 0.608 4.568 3.960 -0.000 0.000 0.294 284 G C -0.239 174.620 174.900 -0.068 0.000 1.397 284 G CA 0.179 45.236 45.100 -0.072 0.000 0.790 284 G HN 1.681 nan 8.290 nan 0.000 0.486 285 S N -0.569 115.083 115.700 -0.079 0.000 2.580 285 S HA 0.176 4.645 4.470 -0.000 0.000 0.266 285 S C 1.562 176.129 174.600 -0.054 0.000 1.354 285 S CA 0.365 58.529 58.200 -0.061 0.000 1.008 285 S CB 1.481 64.642 63.200 -0.065 0.000 0.898 285 S HN 0.894 nan 8.310 nan 0.000 0.555 286 R N 0.539 121.020 120.500 -0.031 0.000 2.105 286 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 286 R C 1.648 177.947 176.300 -0.002 0.000 1.135 286 R CA 1.889 57.980 56.100 -0.016 0.000 0.967 286 R CB -0.471 29.826 30.300 -0.005 0.000 0.861 286 R HN 0.798 nan 8.270 nan 0.000 0.442 287 E N -0.251 119.952 120.200 0.005 0.000 2.085 287 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 287 E C 1.898 178.539 176.600 0.069 0.000 0.994 287 E CA 1.425 57.862 56.400 0.061 0.000 0.801 287 E CB -0.090 29.662 29.700 0.086 0.000 0.743 287 E HN 0.155 nan 8.360 nan 0.000 0.453 288 V N 0.174 120.026 119.914 -0.103 0.000 2.331 288 V HA -0.152 3.968 4.120 -0.000 0.000 0.242 288 V C 2.087 178.148 176.094 -0.055 0.000 1.034 288 V CA 1.242 63.417 62.300 -0.208 0.000 1.027 288 V CB -0.371 31.206 31.823 -0.411 0.000 0.667 288 V HN 0.264 nan 8.190 nan 0.000 0.457 289 M N 1.346 120.908 119.600 -0.063 0.000 2.202 289 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 289 M C 2.431 178.722 176.300 -0.014 0.000 1.063 289 M CA 2.132 57.406 55.300 -0.043 0.000 1.097 289 M CB -1.601 30.966 32.600 -0.055 0.000 1.382 289 M HN 0.637 nan 8.290 nan 0.000 0.413 290 S N 0.013 115.717 115.700 0.006 0.000 2.528 290 S HA -0.095 4.375 4.470 -0.000 0.000 0.244 290 S C 1.709 176.328 174.600 0.032 0.000 0.982 290 S CA 0.683 58.894 58.200 0.018 0.000 0.953 290 S CB -0.612 62.605 63.200 0.029 0.000 0.754 290 S HN 0.326 nan 8.310 nan 0.000 0.529 291 L N 0.669 121.921 121.223 0.049 0.000 2.313 291 L HA 0.349 4.689 4.340 -0.000 0.000 0.214 291 L C 0.986 177.877 176.870 0.034 0.000 1.119 291 L CA 0.642 55.519 54.840 0.060 0.000 0.809 291 L CB -0.604 41.517 42.059 0.103 0.000 0.933 291 L HN 0.362 nan 8.230 nan 0.000 0.449 292 L N 0.011 121.239 121.223 0.008 0.000 2.461 292 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 292 L C 0.813 177.667 176.870 -0.026 0.000 1.197 292 L CA -0.322 54.506 54.840 -0.020 0.000 0.836 292 L CB 0.315 42.344 42.059 -0.049 0.000 1.105 292 L HN 0.227 nan 8.230 nan 0.000 0.477 293 T N -0.481 114.043 114.554 -0.049 0.000 2.900 293 T HA 0.143 4.493 4.350 -0.000 0.000 0.307 293 T C -1.438 173.218 174.700 -0.075 0.000 1.065 293 T CA -1.241 60.832 62.100 -0.045 0.000 1.105 293 T CB 0.726 69.558 68.868 -0.059 0.000 0.979 293 T HN 0.551 nan 8.240 nan 0.000 0.544 294 P HA 0.068 nan 4.420 nan 0.000 0.253 294 P C 0.842 178.146 177.300 0.007 0.000 1.260 294 P CA 0.219 63.317 63.100 -0.004 0.000 0.800 294 P CB 0.426 32.125 31.700 -0.001 0.000 1.162 295 Q N 1.012 120.813 119.800 0.001 0.000 2.061 295 Q HA 0.149 4.489 4.340 -0.000 0.000 0.195 295 Q C 1.238 177.249 176.000 0.019 0.000 0.967 295 Q CA 1.584 57.392 55.803 0.009 0.000 0.829 295 Q CB -0.634 28.106 28.738 0.004 0.000 0.900 295 Q HN 0.215 nan 8.270 nan 0.000 0.450 296 G N -1.026 107.787 108.800 0.023 0.000 3.119 296 G HA2 0.287 4.247 3.960 -0.000 0.000 0.206 296 G HA3 0.287 4.247 3.960 -0.000 0.000 0.206 296 G C -0.119 174.810 174.900 0.048 0.000 1.313 296 G CA -0.380 44.741 45.100 0.035 0.000 1.010 296 G HN -0.002 nan 8.290 nan 0.000 0.578 297 K N -0.677 119.755 120.400 0.054 0.000 2.379 297 K HA 0.179 4.499 4.320 -0.000 0.000 0.194 297 K C 0.714 177.371 176.600 0.095 0.000 1.031 297 K CA 0.053 56.383 56.287 0.070 0.000 1.037 297 K CB 0.545 33.075 32.500 0.051 0.000 0.824 297 K HN 0.131 nan 8.250 nan 0.000 0.516 298 V N 3.428 123.391 119.914 0.081 0.000 2.415 298 V HA 0.039 4.159 4.120 -0.000 0.000 0.267 298 V C 0.093 176.253 176.094 0.109 0.000 1.042 298 V CA -0.464 61.891 62.300 0.091 0.000 1.000 298 V CB -0.484 31.375 31.823 0.061 0.000 1.015 298 V HN 0.025 nan 8.190 nan 0.000 0.478 299 F N 6.518 126.471 119.950 0.006 0.000 2.443 299 F HA 0.397 4.924 4.527 -0.000 0.000 0.353 299 F C 0.467 176.268 175.800 0.002 0.000 1.101 299 F CA 0.246 58.248 58.000 0.004 0.000 1.226 299 F CB 0.407 39.410 39.000 0.004 0.000 1.140 299 F HN 0.605 nan 8.300 nan 0.000 0.557 300 N N 4.480 122.693 118.700 -0.811 0.000 2.600 300 N HA 0.537 5.276 4.740 -0.000 0.000 0.272 300 N C -2.214 172.854 175.510 -0.738 0.000 1.095 300 N CA -0.246 52.463 53.050 -0.568 0.000 0.993 300 N CB 1.529 39.875 38.487 -0.235 0.000 1.603 300 N HN 0.844 nan 8.380 nan 0.000 0.526 301 A N 1.625 124.104 122.820 -0.569 0.000 2.569 301 A HA 0.967 5.287 4.320 -0.000 0.000 0.290 301 A C -0.696 176.832 177.584 -0.094 0.000 1.136 301 A CA -0.261 51.579 52.037 -0.328 0.000 0.710 301 A CB 1.848 20.675 19.000 -0.288 0.000 1.303 301 A HN 0.777 nan 8.150 nan 0.000 0.413 302 G N -0.707 108.067 108.800 -0.044 0.000 2.524 302 G HA2 0.462 4.422 3.960 -0.000 0.000 0.306 302 G HA3 0.462 4.422 3.960 -0.000 0.000 0.306 302 G C 0.099 174.970 174.900 -0.047 0.000 1.420 302 G CA 0.490 45.593 45.100 0.003 0.000 1.086 302 G HN 0.725 nan 8.290 nan 0.000 0.591 303 T N 1.794 116.257 114.554 -0.153 0.000 2.699 303 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 303 T C 1.629 176.071 174.700 -0.431 0.000 1.036 303 T CA 1.878 63.743 62.100 -0.391 0.000 1.147 303 T CB -0.225 68.202 68.868 -0.734 0.000 0.862 303 T HN 0.394 nan 8.240 nan 0.000 0.446 304 F N 0.847 120.855 119.950 0.096 0.000 2.765 304 F HA 0.336 4.863 4.527 -0.000 0.000 0.302 304 F C 0.810 176.685 175.800 0.124 0.000 1.111 304 F CA -1.092 56.991 58.000 0.137 0.000 1.359 304 F CB -0.739 38.358 39.000 0.163 0.000 1.097 304 F HN -0.093 nan 8.300 nan 0.000 0.577 305 N N 1.458 120.276 118.700 0.196 0.000 2.357 305 N HA 0.205 4.945 4.740 -0.000 0.000 0.257 305 N C 0.923 176.531 175.510 0.163 0.000 1.250 305 N CA 0.994 54.150 53.050 0.177 0.000 0.862 305 N CB 0.260 38.817 38.487 0.115 0.000 1.066 305 N HN 0.299 nan 8.380 nan 0.000 0.468 306 A N 0.891 123.812 122.820 0.169 0.000 2.869 306 A HA -0.240 4.080 4.320 -0.000 0.000 0.280 306 A C 0.407 177.993 177.584 0.004 0.000 1.458 306 A CA 0.526 52.580 52.037 0.028 0.000 0.776 306 A CB -2.641 16.422 19.000 0.106 0.000 1.028 306 A HN 0.870 nan 8.150 nan 0.000 0.547 307 H N 0.130 119.197 119.070 -0.005 0.000 3.140 307 H HA 0.056 4.612 4.556 -0.000 0.000 0.316 307 H C -1.071 174.190 175.328 -0.112 0.000 0.986 307 H CA 0.127 56.173 56.048 -0.003 0.000 1.397 307 H CB 0.610 30.406 29.762 0.057 0.000 1.377 307 H HN 0.218 nan 8.280 nan 0.000 0.585 308 P HA -0.218 nan 4.420 nan 0.000 0.216 308 P C 1.672 178.896 177.300 -0.127 0.000 1.154 308 P CA 1.105 64.034 63.100 -0.284 0.000 0.865 308 P CB 0.302 31.653 31.700 -0.581 0.000 0.789 309 I N -1.353 119.236 120.570 0.030 0.000 2.353 309 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 309 I C 2.004 177.911 176.117 -0.350 0.000 1.119 309 I CA 1.746 62.938 61.300 -0.180 0.000 1.417 309 I CB -2.042 35.786 38.000 -0.288 0.000 1.078 309 I HN 0.012 nan 8.210 nan 0.000 0.421 310 T N 1.304 115.772 114.554 -0.144 0.000 2.746 310 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 310 T C 2.016 176.620 174.700 -0.160 0.000 1.039 310 T CA 1.238 63.263 62.100 -0.124 0.000 1.142 310 T CB -0.072 68.790 68.868 -0.009 0.000 0.866 310 T HN 0.112 nan 8.240 nan 0.000 0.444 311 M N 1.211 120.699 119.600 -0.186 0.000 2.086 311 M HA 0.014 4.494 4.480 -0.000 0.000 0.261 311 M C 2.835 179.037 176.300 -0.164 0.000 1.067 311 M CA 1.536 56.691 55.300 -0.242 0.000 1.116 311 M CB -1.565 30.895 32.600 -0.234 0.000 1.348 311 M HN 0.313 nan 8.290 nan 0.000 0.407 312 A N 0.093 122.828 122.820 -0.142 0.000 1.902 312 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 312 A C 2.431 179.952 177.584 -0.104 0.000 1.181 312 A CA 2.120 54.092 52.037 -0.108 0.000 0.623 312 A CB -0.894 18.045 19.000 -0.102 0.000 0.818 312 A HN 0.488 nan 8.150 nan 0.000 0.443 313 A N -0.546 122.185 122.820 -0.148 0.000 1.930 313 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 313 A C 2.380 179.942 177.584 -0.038 0.000 1.175 313 A CA 1.774 53.769 52.037 -0.070 0.000 0.627 313 A CB -1.285 17.696 19.000 -0.032 0.000 0.815 313 A HN 0.680 nan 8.150 nan 0.000 0.443 314 G N -0.080 108.678 108.800 -0.070 0.000 2.421 314 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 314 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 314 G C 1.497 176.340 174.900 -0.095 0.000 1.171 314 G CA 1.189 46.237 45.100 -0.087 0.000 0.775 314 G HN 0.474 nan 8.290 nan 0.000 0.543 315 L N 1.373 122.547 121.223 -0.081 0.000 2.046 315 L HA 0.111 4.451 4.340 -0.000 0.000 0.208 315 L C 3.051 179.901 176.870 -0.032 0.000 1.077 315 L CA 2.250 57.060 54.840 -0.051 0.000 0.747 315 L CB -0.647 41.390 42.059 -0.037 0.000 0.896 315 L HN 0.233 nan 8.230 nan 0.000 0.432 316 A N -1.811 120.994 122.820 -0.025 0.000 1.930 316 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 316 A C 2.255 179.835 177.584 -0.006 0.000 1.175 316 A CA 2.139 54.177 52.037 0.001 0.000 0.627 316 A CB -1.135 17.876 19.000 0.018 0.000 0.815 316 A HN 0.510 nan 8.150 nan 0.000 0.443 317 T N 0.225 114.757 114.554 -0.037 0.000 2.708 317 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 317 T C 1.742 176.380 174.700 -0.103 0.000 1.037 317 T CA 1.596 63.649 62.100 -0.079 0.000 1.146 317 T CB -0.331 68.481 68.868 -0.094 0.000 0.865 317 T HN 0.222 nan 8.240 nan 0.000 0.435 318 L N 0.876 122.030 121.223 -0.115 0.000 2.083 318 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 318 L C 2.383 179.247 176.870 -0.010 0.000 1.083 318 L CA 1.556 56.332 54.840 -0.107 0.000 0.752 318 L CB -0.567 41.401 42.059 -0.153 0.000 0.899 318 L HN 0.129 nan 8.230 nan 0.000 0.433 319 K N -0.521 119.880 120.400 0.002 0.000 2.057 319 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 319 K C 2.078 178.691 176.600 0.021 0.000 1.049 319 K CA 1.367 57.674 56.287 0.033 0.000 0.931 319 K CB -0.220 32.298 32.500 0.030 0.000 0.714 319 K HN 0.273 nan 8.250 nan 0.000 0.440 320 A N 0.445 123.259 122.820 -0.009 0.000 1.969 320 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 320 A C 2.029 179.560 177.584 -0.089 0.000 1.169 320 A CA 1.157 53.175 52.037 -0.032 0.000 0.635 320 A CB -0.530 18.422 19.000 -0.080 0.000 0.810 320 A HN 0.311 nan 8.150 nan 0.000 0.445 321 L N -0.824 120.335 121.223 -0.108 0.000 2.201 321 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 321 L C 2.345 179.198 176.870 -0.028 0.000 1.105 321 L CA 1.327 56.070 54.840 -0.162 0.000 0.775 321 L CB -0.388 41.607 42.059 -0.107 0.000 0.913 321 L HN 0.482 nan 8.230 nan 0.000 0.440 322 E N -0.295 119.932 120.200 0.044 0.000 2.250 322 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 322 E C 1.626 178.271 176.600 0.074 0.000 0.986 322 E CA 0.600 57.061 56.400 0.102 0.000 0.849 322 E CB 0.208 29.999 29.700 0.151 0.000 0.797 322 E HN 0.513 nan 8.360 nan 0.000 0.482 323 E N 0.445 120.671 120.200 0.043 0.000 2.389 323 E HA 0.067 4.417 4.350 -0.000 0.000 0.199 323 E C 0.031 176.645 176.600 0.024 0.000 0.978 323 E CA 0.193 56.617 56.400 0.040 0.000 0.912 323 E CB 0.548 30.273 29.700 0.042 0.000 0.907 323 E HN 0.178 nan 8.360 nan 0.000 0.494 324 E N 1.507 121.705 120.200 -0.004 0.000 2.235 324 E HA 0.171 4.521 4.350 -0.000 0.000 0.265 324 E C -2.292 174.283 176.600 -0.041 0.000 0.940 324 E CA -2.191 54.200 56.400 -0.016 0.000 0.819 324 E CB 1.290 30.975 29.700 -0.024 0.000 1.206 324 E HN -0.103 nan 8.360 nan 0.000 0.409 325 P HA 0.011 nan 4.420 nan 0.000 0.237 325 P C 0.748 178.011 177.300 -0.062 0.000 1.723 325 P CA 0.177 63.269 63.100 -0.014 0.000 0.882 325 P CB -0.105 31.602 31.700 0.011 0.000 1.810 326 V N -0.463 119.347 119.914 -0.174 0.000 2.255 326 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 326 V C 2.047 178.003 176.094 -0.230 0.000 1.051 326 V CA 1.940 64.073 62.300 -0.279 0.000 1.018 326 V CB -1.549 29.975 31.823 -0.498 0.000 0.641 326 V HN 0.145 nan 8.190 nan 0.000 0.445 327 Y N 1.721 122.012 120.300 -0.016 0.000 2.181 327 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 327 Y C 2.954 178.857 175.900 0.004 0.000 1.146 327 Y CA 1.494 59.589 58.100 -0.009 0.000 1.164 327 Y CB -1.147 37.307 38.460 -0.009 0.000 0.982 327 Y HN 0.423 nan 8.280 nan 0.000 0.515 328 S N -0.858 114.928 115.700 0.144 0.000 2.355 328 S HA -0.137 4.333 4.470 -0.000 0.000 0.222 328 S C 2.104 176.741 174.600 0.062 0.000 1.031 328 S CA 1.265 59.521 58.200 0.094 0.000 0.993 328 S CB -1.167 62.076 63.200 0.073 0.000 0.859 328 S HN 0.180 nan 8.310 nan 0.000 0.453 329 V N 2.366 122.302 119.914 0.036 0.000 2.343 329 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 329 V C 2.862 178.979 176.094 0.038 0.000 1.051 329 V CA 2.153 64.469 62.300 0.025 0.000 1.036 329 V CB -1.143 30.680 31.823 -0.001 0.000 0.654 329 V HN 0.559 nan 8.190 nan 0.000 0.451 330 S N -0.568 115.153 115.700 0.035 0.000 2.383 330 S HA -0.195 4.275 4.470 -0.000 0.000 0.227 330 S C 2.080 176.726 174.600 0.078 0.000 1.026 330 S CA 1.629 59.866 58.200 0.061 0.000 0.981 330 S CB -0.355 62.874 63.200 0.048 0.000 0.818 330 S HN 0.584 nan 8.310 nan 0.000 0.472 331 R N 1.363 121.912 120.500 0.081 0.000 2.075 331 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 331 R C 1.896 178.230 176.300 0.056 0.000 1.126 331 R CA 1.287 57.431 56.100 0.073 0.000 0.963 331 R CB -0.132 30.218 30.300 0.082 0.000 0.858 331 R HN 0.181 nan 8.270 nan 0.000 0.435 332 E N 0.547 120.779 120.200 0.053 0.000 2.110 332 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 332 E C 1.868 178.488 176.600 0.034 0.000 0.988 332 E CA 1.319 57.743 56.400 0.041 0.000 0.804 332 E CB -0.297 29.426 29.700 0.038 0.000 0.745 332 E HN 0.490 nan 8.360 nan 0.000 0.458 333 A N 1.507 124.353 122.820 0.042 0.000 1.858 333 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 333 A C 2.449 180.036 177.584 0.005 0.000 1.190 333 A CA 2.300 54.355 52.037 0.031 0.000 0.617 333 A CB -0.757 18.288 19.000 0.075 0.000 0.827 333 A HN 0.274 nan 8.150 nan 0.000 0.443 334 A N -0.456 122.376 122.820 0.019 0.000 1.940 334 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 334 A C 2.141 179.728 177.584 0.006 0.000 1.176 334 A CA 2.112 54.151 52.037 0.003 0.000 0.631 334 A CB -0.467 18.544 19.000 0.019 0.000 0.814 334 A HN 0.568 nan 8.150 nan 0.000 0.446 335 K N -0.439 119.973 120.400 0.020 0.000 2.057 335 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 335 K C 2.137 178.746 176.600 0.015 0.000 1.049 335 K CA 1.152 57.453 56.287 0.024 0.000 0.931 335 K CB -0.304 32.214 32.500 0.031 0.000 0.714 335 K HN 0.382 nan 8.250 nan 0.000 0.440 336 A N 1.003 123.828 122.820 0.008 0.000 1.969 336 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 336 A C 2.043 179.621 177.584 -0.010 0.000 1.169 336 A CA 1.112 53.150 52.037 0.001 0.000 0.635 336 A CB -0.472 18.528 19.000 -0.001 0.000 0.810 336 A HN 0.290 nan 8.150 nan 0.000 0.445 337 L N -0.945 120.265 121.223 -0.022 0.000 2.056 337 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 337 L C 2.637 179.497 176.870 -0.018 0.000 1.078 337 L CA 1.752 56.570 54.840 -0.036 0.000 0.749 337 L CB -0.472 41.550 42.059 -0.061 0.000 0.901 337 L HN 0.617 nan 8.230 nan 0.000 0.433 338 E N 0.641 120.840 120.200 -0.001 0.000 2.051 338 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 338 E C 1.959 178.578 176.600 0.031 0.000 0.991 338 E CA 1.450 57.864 56.400 0.023 0.000 0.799 338 E CB 0.056 29.777 29.700 0.035 0.000 0.748 338 E HN 0.472 nan 8.360 nan 0.000 0.449 339 E N 0.191 120.405 120.200 0.024 0.000 2.077 339 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 339 E C 2.085 178.692 176.600 0.012 0.000 0.989 339 E CA 0.926 57.341 56.400 0.025 0.000 0.800 339 E CB -0.168 29.543 29.700 0.020 0.000 0.746 339 E HN 0.396 nan 8.360 nan 0.000 0.452 340 A N 1.538 124.357 122.820 -0.002 0.000 1.898 340 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 340 A C 2.396 179.966 177.584 -0.024 0.000 1.181 340 A CA 1.608 53.637 52.037 -0.013 0.000 0.620 340 A CB -0.550 18.437 19.000 -0.022 0.000 0.819 340 A HN 0.286 nan 8.150 nan 0.000 0.442 341 A N -0.708 122.096 122.820 -0.028 0.000 1.898 341 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 341 A C 2.437 179.967 177.584 -0.090 0.000 1.181 341 A CA 1.972 53.974 52.037 -0.058 0.000 0.620 341 A CB -0.804 18.167 19.000 -0.048 0.000 0.819 341 A HN 0.432 nan 8.150 nan 0.000 0.442 342 S N -0.244 115.449 115.700 -0.012 0.000 2.368 342 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 342 S C 1.816 176.425 174.600 0.015 0.000 1.030 342 S CA 1.470 59.698 58.200 0.046 0.000 0.999 342 S CB -0.304 62.974 63.200 0.130 0.000 0.844 342 S HN 0.700 nan 8.310 nan 0.000 0.459 343 E N 0.424 120.627 120.200 0.005 0.000 2.118 343 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 343 E C 2.023 178.614 176.600 -0.015 0.000 0.992 343 E CA 1.227 57.629 56.400 0.003 0.000 0.804 343 E CB -0.140 29.561 29.700 0.001 0.000 0.741 343 E HN 0.297 nan 8.360 nan 0.000 0.458 344 V N 1.085 120.975 119.914 -0.041 0.000 2.346 344 V HA -0.186 3.933 4.120 -0.000 0.000 0.244 344 V C 2.257 178.304 176.094 -0.077 0.000 1.037 344 V CA 1.193 63.463 62.300 -0.049 0.000 1.029 344 V CB -0.346 31.447 31.823 -0.050 0.000 0.663 344 V HN 0.225 nan 8.190 nan 0.000 0.454 345 L N -0.039 121.081 121.223 -0.171 0.000 2.131 345 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 345 L C 2.209 179.016 176.870 -0.104 0.000 1.092 345 L CA 1.323 55.992 54.840 -0.284 0.000 0.759 345 L CB -0.682 40.863 42.059 -0.856 0.000 0.903 345 L HN 0.329 nan 8.230 nan 0.000 0.435 346 D N 0.241 120.637 120.400 -0.005 0.000 2.309 346 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 346 D C 1.701 178.031 176.300 0.049 0.000 0.968 346 D CA 0.919 54.972 54.000 0.089 0.000 0.882 346 D CB -0.045 40.811 40.800 0.094 0.000 0.918 346 D HN 0.289 nan 8.370 nan 0.000 0.503 347 R N 0.219 120.729 120.500 0.017 0.000 2.449 347 R HA 0.105 4.445 4.340 -0.000 0.000 0.262 347 R C 0.567 176.877 176.300 0.016 0.000 1.006 347 R CA 0.095 56.204 56.100 0.016 0.000 1.104 347 R CB 0.195 30.499 30.300 0.006 0.000 1.206 347 R HN 0.145 nan 8.270 nan 0.000 0.538 348 T N -5.238 109.330 114.554 0.022 0.000 2.864 348 T HA 0.437 4.787 4.350 -0.000 0.000 0.289 348 T C 0.755 175.481 174.700 0.043 0.000 1.082 348 T CA -0.812 61.304 62.100 0.026 0.000 1.009 348 T CB 2.117 70.995 68.868 0.015 0.000 1.234 348 T HN 0.007 nan 8.240 nan 0.000 0.526 349 G N 0.259 109.083 108.800 0.040 0.000 3.609 349 G HA2 0.426 4.386 3.960 -0.000 0.000 0.280 349 G HA3 0.426 4.386 3.960 -0.000 0.000 0.280 349 G C -0.211 174.719 174.900 0.049 0.000 1.155 349 G CA -0.248 44.878 45.100 0.043 0.000 0.876 349 G HN 0.603 nan 8.290 nan 0.000 0.535 350 L N 2.289 123.547 121.223 0.058 0.000 2.276 350 L HA 0.528 4.868 4.340 -0.000 0.000 0.286 350 L C -2.004 174.940 176.870 0.122 0.000 1.061 350 L CA -2.594 52.279 54.840 0.056 0.000 0.807 350 L CB 1.251 43.316 42.059 0.010 0.000 1.177 350 L HN -0.105 nan 8.230 nan 0.000 0.429 351 P HA 0.305 nan 4.420 nan 0.000 0.279 351 P C -1.790 175.607 177.300 0.162 0.000 1.239 351 P CA 0.058 63.212 63.100 0.091 0.000 0.789 351 P CB 0.982 32.697 31.700 0.024 0.000 0.933 352 Y N -1.934 118.341 120.300 -0.042 0.000 2.779 352 Y HA 0.705 5.255 4.550 -0.000 0.000 0.340 352 Y C -1.718 174.187 175.900 0.008 0.000 1.252 352 Y CA -0.990 57.090 58.100 -0.033 0.000 1.072 352 Y CB 0.621 39.034 38.460 -0.078 0.000 1.343 352 Y HN 0.543 nan 8.280 nan 0.000 0.450 353 T N 1.698 116.221 114.554 -0.051 0.000 2.889 353 T HA 0.735 5.085 4.350 -0.000 0.000 0.315 353 T C -2.115 172.706 174.700 0.200 0.000 1.291 353 T CA -0.578 61.455 62.100 -0.113 0.000 1.028 353 T CB 1.070 69.901 68.868 -0.061 0.000 1.235 353 T HN 0.752 nan 8.240 nan 0.000 0.491 354 I N 4.046 124.703 120.570 0.144 0.000 2.447 354 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 354 I C -0.624 175.581 176.117 0.148 0.000 1.023 354 I CA -1.035 60.372 61.300 0.179 0.000 1.083 354 I CB 2.025 40.122 38.000 0.161 0.000 1.245 354 I HN 0.484 nan 8.210 nan 0.000 0.434 355 N N 6.297 125.113 118.700 0.193 0.000 2.421 355 N HA 0.522 5.262 4.740 -0.000 0.000 0.285 355 N C -0.822 174.744 175.510 0.092 0.000 1.027 355 N CA -0.490 52.653 53.050 0.156 0.000 0.918 355 N CB 2.184 40.807 38.487 0.227 0.000 1.152 355 N HN 0.553 nan 8.380 nan 0.000 0.485 356 R N 1.274 121.822 120.500 0.080 0.000 2.548 356 R HA 0.525 4.865 4.340 -0.000 0.000 0.280 356 R C -2.041 174.305 176.300 0.078 0.000 1.061 356 R CA -0.547 55.587 56.100 0.056 0.000 0.915 356 R CB 1.125 31.452 30.300 0.044 0.000 1.210 356 R HN 0.244 nan 8.270 nan 0.000 0.442 357 V N 5.664 125.614 119.914 0.061 0.000 2.398 357 V HA 0.283 4.403 4.120 -0.000 0.000 0.282 357 V C 0.198 176.283 176.094 -0.015 0.000 1.014 357 V CA -0.552 61.782 62.300 0.057 0.000 0.838 357 V CB 1.109 32.984 31.823 0.086 0.000 1.018 357 V HN 1.005 nan 8.190 nan 0.000 0.432 358 E N 2.968 123.166 120.200 -0.003 0.000 3.247 358 E HA -0.318 4.032 4.350 -0.000 0.000 0.424 358 E C 1.543 178.164 176.600 0.034 0.000 1.544 358 E CA 2.139 58.536 56.400 -0.006 0.000 1.208 358 E CB -1.371 28.261 29.700 -0.115 0.000 1.473 358 E HN 0.940 nan 8.360 nan 0.000 0.472 359 S N 1.444 117.177 115.700 0.054 0.000 2.572 359 S HA 0.335 4.805 4.470 -0.000 0.000 0.228 359 S C 1.066 175.732 174.600 0.110 0.000 0.963 359 S CA 0.366 58.624 58.200 0.096 0.000 0.939 359 S CB -0.442 62.839 63.200 0.135 0.000 0.804 359 S HN 0.379 nan 8.310 nan 0.000 0.480 360 M N 1.111 120.743 119.600 0.054 0.000 2.321 360 M HA 0.787 5.267 4.480 -0.000 0.000 0.315 360 M C -0.872 175.371 176.300 -0.094 0.000 1.052 360 M CA -0.801 54.465 55.300 -0.057 0.000 0.936 360 M CB 1.991 34.604 32.600 0.022 0.000 1.639 360 M HN 0.284 nan 8.290 nan 0.000 0.433 361 M N 1.674 121.165 119.600 -0.181 0.000 2.880 361 M HA 0.804 5.284 4.480 -0.000 0.000 0.269 361 M C -2.111 174.074 176.300 -0.191 0.000 1.248 361 M CA -0.691 54.537 55.300 -0.120 0.000 0.821 361 M CB 2.603 35.163 32.600 -0.068 0.000 1.650 361 M HN 0.761 nan 8.290 nan 0.000 0.479 362 Q N 1.363 121.055 119.800 -0.180 0.000 2.479 362 Q HA 0.667 5.007 4.340 -0.000 0.000 0.276 362 Q C -2.512 173.228 176.000 -0.432 0.000 0.989 362 Q CA -0.539 55.056 55.803 -0.348 0.000 0.864 362 Q CB 2.553 30.975 28.738 -0.528 0.000 1.444 362 Q HN 0.878 nan 8.270 nan 0.000 0.388 363 L N 3.086 124.067 121.223 -0.403 0.000 2.307 363 L HA 0.775 5.115 4.340 -0.000 0.000 0.282 363 L C -1.615 174.961 176.870 -0.490 0.000 1.051 363 L CA 0.086 54.778 54.840 -0.247 0.000 0.804 363 L CB 0.666 42.712 42.059 -0.021 0.000 1.197 363 L HN 0.609 nan 8.230 nan 0.000 0.431 364 F N 6.017 126.003 119.950 0.059 0.000 2.496 364 F HA 0.471 4.998 4.527 -0.000 0.000 0.341 364 F C -0.219 175.588 175.800 0.012 0.000 1.134 364 F CA -0.733 57.273 58.000 0.010 0.000 0.968 364 F CB 1.123 40.109 39.000 -0.023 0.000 1.205 364 F HN 0.188 nan 8.300 nan 0.000 0.436 365 I N 2.404 123.028 120.570 0.089 0.000 2.440 365 I HA 0.405 4.575 4.170 -0.000 0.000 0.294 365 I C 1.186 177.300 176.117 -0.005 0.000 0.995 365 I CA -0.048 61.206 61.300 -0.078 0.000 1.306 365 I CB 0.879 38.602 38.000 -0.461 0.000 1.407 365 I HN 0.865 nan 8.210 nan 0.000 0.501 366 G N 4.872 113.667 108.800 -0.008 0.000 2.195 366 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.246 366 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.246 366 G C 0.005 174.912 174.900 0.012 0.000 0.984 366 G CA 0.161 45.267 45.100 0.009 0.000 0.633 366 G HN 0.864 nan 8.290 nan 0.000 0.525 367 V N -3.744 116.180 119.914 0.017 0.000 2.925 367 V HA 0.872 4.992 4.120 -0.000 0.000 0.311 367 V C 0.669 176.735 176.094 -0.046 0.000 1.104 367 V CA -0.681 61.606 62.300 -0.022 0.000 0.954 367 V CB 1.955 33.749 31.823 -0.049 0.000 1.022 367 V HN -0.046 nan 8.190 nan 0.000 0.427 368 E N 1.146 121.300 120.200 -0.077 0.000 2.400 368 E HA 0.208 4.558 4.350 -0.000 0.000 0.195 368 E C 0.282 176.809 176.600 -0.121 0.000 1.012 368 E CA 0.575 56.906 56.400 -0.116 0.000 0.875 368 E CB 0.858 30.498 29.700 -0.100 0.000 0.859 368 E HN 0.891 nan 8.360 nan 0.000 0.498 369 E N -0.052 120.077 120.200 -0.117 0.000 2.343 369 E HA 0.352 4.702 4.350 -0.000 0.000 0.278 369 E C -1.623 174.858 176.600 -0.199 0.000 0.910 369 E CA -0.419 55.901 56.400 -0.134 0.000 0.757 369 E CB 2.373 32.009 29.700 -0.108 0.000 1.218 369 E HN -0.255 nan 8.360 nan 0.000 0.435 370 V N 3.633 123.395 119.914 -0.253 0.000 2.439 370 V HA 0.151 4.270 4.120 -0.000 0.000 0.277 370 V C 0.392 176.333 176.094 -0.254 0.000 1.008 370 V CA -0.200 61.865 62.300 -0.393 0.000 0.846 370 V CB 1.125 32.405 31.823 -0.906 0.000 1.031 370 V HN 0.731 nan 8.190 nan 0.000 0.441 371 S N 2.141 117.733 115.700 -0.179 0.000 2.603 371 S HA 0.290 4.760 4.470 -0.000 0.000 0.232 371 S C 0.249 174.804 174.600 -0.074 0.000 1.016 371 S CA -0.008 58.127 58.200 -0.109 0.000 0.976 371 S CB -0.017 63.121 63.200 -0.103 0.000 0.921 371 S HN 0.882 nan 8.310 nan 0.000 0.516 372 N N -0.626 118.009 118.700 -0.109 0.000 3.046 372 N HA 0.619 5.359 4.740 -0.000 0.000 0.243 372 N C 0.483 175.926 175.510 -0.112 0.000 1.452 372 N CA -0.365 52.649 53.050 -0.061 0.000 0.882 372 N CB 0.580 39.037 38.487 -0.051 0.000 1.425 372 N HN -0.039 nan 8.380 nan 0.000 0.517 373 A N 0.088 122.861 122.820 -0.078 0.000 1.940 373 A HA 0.084 4.403 4.320 -0.000 0.000 0.219 373 A C 2.105 179.642 177.584 -0.078 0.000 1.176 373 A CA 2.335 54.322 52.037 -0.083 0.000 0.631 373 A CB -1.509 17.462 19.000 -0.048 0.000 0.814 373 A HN 0.946 nan 8.150 nan 0.000 0.446 374 A N -0.487 122.296 122.820 -0.060 0.000 1.883 374 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 374 A C 2.142 179.677 177.584 -0.081 0.000 1.186 374 A CA 1.752 53.756 52.037 -0.055 0.000 0.624 374 A CB -0.624 18.351 19.000 -0.041 0.000 0.822 374 A HN 0.674 nan 8.150 nan 0.000 0.444 375 Q N -0.745 118.985 119.800 -0.117 0.000 2.079 375 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 375 Q C 2.431 178.306 176.000 -0.209 0.000 0.974 375 Q CA 1.230 56.940 55.803 -0.155 0.000 0.840 375 Q CB -0.414 28.211 28.738 -0.188 0.000 0.898 375 Q HN 0.671 nan 8.270 nan 0.000 0.430 376 A N 1.628 124.286 122.820 -0.271 0.000 1.940 376 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 376 A C 1.957 179.496 177.584 -0.075 0.000 1.176 376 A CA 1.319 53.175 52.037 -0.302 0.000 0.631 376 A CB -0.419 18.447 19.000 -0.223 0.000 0.814 376 A HN 0.222 nan 8.150 nan 0.000 0.446 377 R N -0.544 119.918 120.500 -0.062 0.000 2.280 377 R HA 0.000 4.340 4.340 -0.000 0.000 0.207 377 R C 1.483 177.776 176.300 -0.012 0.000 1.043 377 R CA 1.011 57.096 56.100 -0.024 0.000 1.006 377 R CB -0.110 30.173 30.300 -0.028 0.000 0.885 377 R HN 0.491 nan 8.270 nan 0.000 0.467 378 K N 0.490 120.873 120.400 -0.028 0.000 2.400 378 K HA 0.135 4.455 4.320 -0.000 0.000 0.194 378 K C 0.665 177.274 176.600 0.016 0.000 1.033 378 K CA 0.024 56.303 56.287 -0.013 0.000 1.021 378 K CB 0.434 32.913 32.500 -0.034 0.000 0.808 378 K HN 0.061 nan 8.250 nan 0.000 0.505 379 A N 2.141 124.987 122.820 0.043 0.000 2.507 379 A HA -0.067 4.253 4.320 -0.000 0.000 0.235 379 A C -0.040 177.600 177.584 0.095 0.000 1.070 379 A CA -0.116 51.984 52.037 0.105 0.000 0.768 379 A CB 0.138 19.291 19.000 0.255 0.000 1.011 379 A HN 0.162 nan 8.150 nan 0.000 0.502 380 D N 1.263 121.723 120.400 0.101 0.000 2.346 380 D HA 0.058 4.698 4.640 -0.000 0.000 0.267 380 D C 1.016 177.428 176.300 0.187 0.000 1.320 380 D CA 0.305 54.383 54.000 0.129 0.000 0.951 380 D CB 0.362 41.243 40.800 0.135 0.000 1.079 380 D HN 0.528 nan 8.370 nan 0.000 0.509 381 K N 2.716 123.204 120.400 0.147 0.000 2.057 381 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 381 K C 1.787 178.511 176.600 0.206 0.000 1.050 381 K CA 0.930 57.313 56.287 0.160 0.000 0.935 381 K CB 0.285 32.842 32.500 0.095 0.000 0.715 381 K HN 0.248 nan 8.250 nan 0.000 0.439 382 K N 0.293 120.796 120.400 0.171 0.000 2.057 382 K HA -0.148 4.171 4.320 -0.000 0.000 0.207 382 K C 1.887 178.588 176.600 0.168 0.000 1.049 382 K CA 1.347 57.720 56.287 0.143 0.000 0.931 382 K CB -0.212 32.353 32.500 0.108 0.000 0.714 382 K HN 0.032 nan 8.250 nan 0.000 0.440 383 F N 0.237 120.235 119.950 0.079 0.000 2.075 383 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 383 F C 2.139 177.975 175.800 0.060 0.000 1.113 383 F CA 1.428 59.464 58.000 0.059 0.000 1.218 383 F CB -0.593 38.446 39.000 0.065 0.000 0.984 383 F HN 0.062 nan 8.300 nan 0.000 0.472 384 Y N 0.325 120.843 120.300 0.364 0.000 2.097 384 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 384 Y C 2.389 178.364 175.900 0.125 0.000 1.152 384 Y CA 2.274 60.510 58.100 0.228 0.000 1.136 384 Y CB -0.850 37.683 38.460 0.121 0.000 0.975 384 Y HN -0.077 nan 8.280 nan 0.000 0.498 385 V N 0.725 120.758 119.914 0.199 0.000 2.324 385 V HA -0.369 3.750 4.120 -0.000 0.000 0.250 385 V C 2.219 178.325 176.094 0.021 0.000 1.060 385 V CA 2.447 64.822 62.300 0.126 0.000 1.042 385 V CB -0.603 31.301 31.823 0.136 0.000 0.650 385 V HN 0.387 nan 8.190 nan 0.000 0.450 386 K N -0.559 119.806 120.400 -0.059 0.000 2.097 386 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 386 K C 2.071 178.544 176.600 -0.211 0.000 1.050 386 K CA 1.237 57.438 56.287 -0.144 0.000 0.938 386 K CB -0.332 32.035 32.500 -0.221 0.000 0.718 386 K HN 0.294 nan 8.250 nan 0.000 0.442 387 L N 0.835 121.898 121.223 -0.267 0.000 2.046 387 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 387 L C 2.365 179.084 176.870 -0.253 0.000 1.077 387 L CA 1.984 56.659 54.840 -0.275 0.000 0.747 387 L CB -0.666 41.248 42.059 -0.240 0.000 0.896 387 L HN 0.247 nan 8.230 nan 0.000 0.432 388 H N -0.626 118.223 119.070 -0.368 0.000 2.353 388 H HA -0.188 4.368 4.556 -0.000 0.000 0.300 388 H C 2.184 177.447 175.328 -0.107 0.000 1.090 388 H CA 2.279 58.178 56.048 -0.248 0.000 1.327 388 H CB -0.073 29.570 29.762 -0.198 0.000 1.383 388 H HN 0.573 nan 8.280 nan 0.000 0.508 389 E N -0.398 119.612 120.200 -0.317 0.000 2.072 389 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 389 E C 2.008 178.457 176.600 -0.251 0.000 0.985 389 E CA 0.964 57.176 56.400 -0.313 0.000 0.801 389 E CB 0.155 29.775 29.700 -0.134 0.000 0.750 389 E HN 0.506 nan 8.360 nan 0.000 0.452 390 E N 0.180 120.257 120.200 -0.205 0.000 2.077 390 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 390 E C 2.045 178.546 176.600 -0.164 0.000 0.989 390 E CA 0.858 57.156 56.400 -0.170 0.000 0.800 390 E CB -0.156 29.445 29.700 -0.165 0.000 0.746 390 E HN 0.353 nan 8.360 nan 0.000 0.452 391 M N 0.010 119.502 119.600 -0.180 0.000 2.080 391 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 391 M C 2.333 178.550 176.300 -0.139 0.000 1.068 391 M CA 0.928 56.142 55.300 -0.143 0.000 1.109 391 M CB -0.871 31.652 32.600 -0.128 0.000 1.342 391 M HN 0.119 nan 8.290 nan 0.000 0.405 392 L N 0.280 121.388 121.223 -0.193 0.000 2.079 392 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 392 L C 2.432 179.198 176.870 -0.173 0.000 1.081 392 L CA 1.830 56.559 54.840 -0.185 0.000 0.752 392 L CB -0.664 41.247 42.059 -0.247 0.000 0.896 392 L HN 0.248 nan 8.230 nan 0.000 0.433 393 R N -1.183 119.219 120.500 -0.162 0.000 2.285 393 R HA -0.023 4.317 4.340 -0.000 0.000 0.213 393 R C 1.300 177.533 176.300 -0.113 0.000 1.068 393 R CA 0.389 56.409 56.100 -0.133 0.000 1.004 393 R CB -0.015 30.212 30.300 -0.121 0.000 0.873 393 R HN 0.240 nan 8.270 nan 0.000 0.467 394 R N -0.497 119.937 120.500 -0.111 0.000 2.359 394 R HA 0.140 4.480 4.340 -0.000 0.000 0.231 394 R C 0.778 177.027 176.300 -0.085 0.000 0.913 394 R CA 0.538 56.585 56.100 -0.089 0.000 1.075 394 R CB 0.658 30.909 30.300 -0.081 0.000 1.087 394 R HN 0.342 nan 8.270 nan 0.000 0.515 395 G N 0.926 109.662 108.800 -0.107 0.000 2.160 395 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 395 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 395 G C -0.156 174.701 174.900 -0.072 0.000 1.022 395 G CA 0.266 45.299 45.100 -0.111 0.000 0.741 395 G HN 0.137 nan 8.290 nan 0.000 0.508 396 V N 0.195 120.075 119.914 -0.057 0.000 2.588 396 V HA 0.711 4.831 4.120 -0.000 0.000 0.304 396 V C -0.509 175.633 176.094 0.081 0.000 1.042 396 V CA -1.100 61.196 62.300 -0.007 0.000 0.877 396 V CB 1.892 33.692 31.823 -0.039 0.000 0.996 396 V HN 0.389 nan 8.190 nan 0.000 0.425 397 F N 7.211 127.126 119.950 -0.058 0.000 2.332 397 F HA 0.744 5.271 4.527 -0.000 0.000 0.368 397 F C -0.212 175.618 175.800 0.050 0.000 1.110 397 F CA -1.616 56.398 58.000 0.023 0.000 1.087 397 F CB 0.730 39.779 39.000 0.081 0.000 1.235 397 F HN 0.509 nan 8.300 nan 0.000 0.470 398 I N 2.717 123.275 120.570 -0.021 0.000 2.797 398 I HA 0.852 5.022 4.170 -0.000 0.000 0.307 398 I C -0.002 176.026 176.117 -0.149 0.000 1.033 398 I CA -1.457 59.738 61.300 -0.174 0.000 1.071 398 I CB 1.641 39.617 38.000 -0.041 0.000 1.255 398 I HN 0.628 nan 8.210 nan 0.000 0.445 399 A N 4.875 127.594 122.820 -0.169 0.000 2.587 399 A HA 0.214 4.534 4.320 -0.000 0.000 0.235 399 A C -1.466 176.134 177.584 0.025 0.000 1.044 399 A CA -0.682 51.339 52.037 -0.026 0.000 0.754 399 A CB -0.664 18.414 19.000 0.130 0.000 0.968 399 A HN 0.768 nan 8.150 nan 0.000 0.509 400 P HA -0.006 nan 4.420 nan 0.000 0.242 400 P C 0.324 177.569 177.300 -0.091 0.000 1.197 400 P CA 0.868 63.561 63.100 -0.679 0.000 0.765 400 P CB 0.247 31.608 31.700 -0.565 0.000 0.936 401 S N -0.326 115.401 115.700 0.045 0.000 2.500 401 S HA 0.264 4.734 4.470 -0.000 0.000 0.301 401 S C 0.872 175.292 174.600 -0.301 0.000 1.092 401 S CA -0.745 57.435 58.200 -0.033 0.000 1.030 401 S CB 0.639 63.781 63.200 -0.096 0.000 1.031 401 S HN -0.070 nan 8.310 nan 0.000 0.483 402 N N 3.219 121.535 118.700 -0.639 0.000 2.453 402 N HA 0.042 4.782 4.740 -0.000 0.000 0.183 402 N C 1.118 176.295 175.510 -0.556 0.000 1.041 402 N CA 0.688 53.027 53.050 -1.185 0.000 0.900 402 N CB -0.099 37.924 38.487 -0.772 0.000 0.961 402 N HN 0.670 nan 8.380 nan 0.000 0.443 403 L N 0.112 121.154 121.223 -0.302 0.000 2.591 403 L HA 0.140 4.479 4.340 -0.000 0.000 0.228 403 L C 0.609 177.377 176.870 -0.171 0.000 1.133 403 L CA 0.167 54.904 54.840 -0.173 0.000 0.880 403 L CB -0.031 41.952 42.059 -0.127 0.000 1.033 403 L HN 0.156 nan 8.230 nan 0.000 0.450 404 E N 0.409 120.494 120.200 -0.192 0.000 2.700 404 E HA 0.633 4.983 4.350 -0.000 0.000 0.253 404 E C -0.367 176.148 176.600 -0.143 0.000 1.175 404 E CA -0.303 56.030 56.400 -0.110 0.000 1.010 404 E CB 1.355 31.066 29.700 0.017 0.000 1.284 404 E HN 0.039 nan 8.360 nan 0.000 0.557 405 A N 0.009 122.752 122.820 -0.129 0.000 2.386 405 A HA 0.587 4.907 4.320 -0.000 0.000 0.308 405 A C -0.909 176.368 177.584 -0.511 0.000 1.128 405 A CA -0.649 51.148 52.037 -0.401 0.000 0.789 405 A CB 1.262 19.865 19.000 -0.661 0.000 1.325 405 A HN 0.217 nan 8.150 nan 0.000 0.437 406 V N 1.254 120.855 119.914 -0.521 0.000 2.394 406 V HA 0.488 4.608 4.120 -0.000 0.000 0.282 406 V C -1.136 174.667 176.094 -0.486 0.000 1.031 406 V CA 0.031 62.105 62.300 -0.376 0.000 0.881 406 V CB 0.418 32.113 31.823 -0.213 0.000 0.982 406 V HN 0.627 nan 8.190 nan 0.000 0.451 407 F N 2.461 122.373 119.950 -0.064 0.000 2.508 407 F HA 0.686 5.212 4.527 -0.000 0.000 0.325 407 F C 0.652 176.472 175.800 0.032 0.000 1.090 407 F CA -0.582 57.406 58.000 -0.021 0.000 0.945 407 F CB 2.244 41.227 39.000 -0.030 0.000 1.156 407 F HN 0.524 nan 8.300 nan 0.000 0.463 408 T N -0.745 113.972 114.554 0.271 0.000 2.932 408 T HA 0.949 5.299 4.350 -0.000 0.000 0.289 408 T C -0.186 174.659 174.700 0.242 0.000 1.039 408 T CA -0.817 61.503 62.100 0.366 0.000 1.024 408 T CB 1.960 70.960 68.868 0.219 0.000 1.090 408 T HN 0.882 nan 8.240 nan 0.000 0.496 409 G N -0.102 108.773 108.800 0.124 0.000 2.788 409 G HA2 0.502 4.462 3.960 -0.000 0.000 0.293 409 G HA3 0.502 4.462 3.960 -0.000 0.000 0.293 409 G C 0.183 174.958 174.900 -0.209 0.000 1.392 409 G CA -0.644 44.361 45.100 -0.159 0.000 0.810 409 G HN 0.806 nan 8.290 nan 0.000 0.508 410 L N 0.977 122.072 121.223 -0.213 0.000 2.013 410 L HA 0.024 4.364 4.340 -0.000 0.000 0.212 410 L C 0.211 176.998 176.870 -0.139 0.000 1.073 410 L CA 2.768 57.514 54.840 -0.158 0.000 0.753 410 L CB -0.729 41.227 42.059 -0.172 0.000 0.890 410 L HN 0.417 nan 8.230 nan 0.000 0.432 411 P HA -0.168 nan 4.420 nan 0.000 0.234 411 P C -0.230 176.990 177.300 -0.134 0.000 1.167 411 P CA 1.116 64.112 63.100 -0.175 0.000 0.763 411 P CB -0.605 30.968 31.700 -0.211 0.000 0.835 412 H N 1.110 120.136 119.070 -0.073 0.000 3.045 412 H HA 0.189 4.745 4.556 -0.000 0.000 0.254 412 H C 0.883 176.185 175.328 -0.043 0.000 1.747 412 H CA -0.422 55.582 56.048 -0.073 0.000 1.444 412 H CB -0.253 29.472 29.762 -0.061 0.000 1.778 412 H HN 0.357 nan 8.280 nan 0.000 0.544 413 Q N 0.631 120.474 119.800 0.072 0.000 2.685 413 Q HA 0.483 4.823 4.340 -0.000 0.000 0.301 413 Q C 0.320 176.345 176.000 0.041 0.000 0.924 413 Q CA -0.916 54.914 55.803 0.046 0.000 0.755 413 Q CB 1.272 30.030 28.738 0.034 0.000 1.470 413 Q HN 0.426 nan 8.270 nan 0.000 0.434 414 G N 1.303 110.125 108.800 0.037 0.000 2.614 414 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.303 414 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.303 414 G C 0.699 175.628 174.900 0.047 0.000 1.270 414 G CA 1.069 46.194 45.100 0.040 0.000 0.988 414 G HN 0.907 nan 8.290 nan 0.000 0.551 415 E N 0.634 120.873 120.200 0.065 0.000 2.085 415 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 415 E C 2.954 179.612 176.600 0.097 0.000 0.994 415 E CA 2.966 59.415 56.400 0.082 0.000 0.801 415 E CB -0.952 28.812 29.700 0.106 0.000 0.743 415 E HN 1.208 nan 8.360 nan 0.000 0.453 416 A N 0.331 123.212 122.820 0.102 0.000 1.908 416 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 416 A C 2.224 179.812 177.584 0.006 0.000 1.181 416 A CA 1.681 53.737 52.037 0.033 0.000 0.627 416 A CB -0.845 18.073 19.000 -0.137 0.000 0.818 416 A HN 0.388 nan 8.150 nan 0.000 0.445 417 L N -0.016 121.217 121.223 0.015 0.000 2.056 417 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 417 L C 2.298 179.161 176.870 -0.012 0.000 1.078 417 L CA 2.758 57.593 54.840 -0.009 0.000 0.749 417 L CB -0.712 41.354 42.059 0.012 0.000 0.901 417 L HN 0.530 nan 8.230 nan 0.000 0.433 418 E N 0.173 120.379 120.200 0.009 0.000 2.058 418 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 418 E C 2.046 178.647 176.600 0.001 0.000 0.997 418 E CA 2.226 58.631 56.400 0.007 0.000 0.801 418 E CB -0.542 29.169 29.700 0.018 0.000 0.746 418 E HN 0.620 nan 8.360 nan 0.000 0.450 419 I N 0.451 121.030 120.570 0.016 0.000 2.226 419 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 419 I C 2.459 178.566 176.117 -0.017 0.000 1.100 419 I CA 1.094 62.401 61.300 0.013 0.000 1.374 419 I CB -0.499 37.536 38.000 0.058 0.000 1.057 419 I HN 0.248 nan 8.210 nan 0.000 0.413 420 A N 0.452 123.249 122.820 -0.038 0.000 1.902 420 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 420 A C 2.447 179.991 177.584 -0.066 0.000 1.181 420 A CA 1.667 53.660 52.037 -0.075 0.000 0.623 420 A CB -0.943 17.974 19.000 -0.139 0.000 0.818 420 A HN 0.227 nan 8.150 nan 0.000 0.443 421 V N 0.353 120.236 119.914 -0.053 0.000 2.295 421 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 421 V C 2.598 178.670 176.094 -0.037 0.000 1.049 421 V CA 2.150 64.424 62.300 -0.043 0.000 1.024 421 V CB -0.721 31.084 31.823 -0.029 0.000 0.648 421 V HN 0.520 nan 8.190 nan 0.000 0.447 422 E N 0.601 120.782 120.200 -0.030 0.000 2.077 422 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 422 E C 2.355 178.932 176.600 -0.039 0.000 0.989 422 E CA 1.517 57.900 56.400 -0.029 0.000 0.800 422 E CB -0.799 28.888 29.700 -0.023 0.000 0.746 422 E HN 0.615 nan 8.360 nan 0.000 0.452 423 G N 1.388 110.162 108.800 -0.044 0.000 2.418 423 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 423 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 423 G C 1.617 176.480 174.900 -0.062 0.000 1.158 423 G CA 0.770 45.837 45.100 -0.055 0.000 0.771 423 G HN 0.217 nan 8.290 nan 0.000 0.545 424 L N 0.562 121.749 121.223 -0.060 0.000 2.027 424 L HA 0.129 4.469 4.340 -0.000 0.000 0.206 424 L C 2.889 179.729 176.870 -0.050 0.000 1.074 424 L CA 1.582 56.386 54.840 -0.060 0.000 0.745 424 L CB -0.702 41.322 42.059 -0.058 0.000 0.898 424 L HN 0.137 nan 8.230 nan 0.000 0.433 425 R N -1.019 119.455 120.500 -0.044 0.000 2.097 425 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 425 R C 2.516 178.792 176.300 -0.040 0.000 1.135 425 R CA 1.796 57.874 56.100 -0.038 0.000 0.934 425 R CB -0.930 29.352 30.300 -0.031 0.000 0.846 425 R HN 0.456 nan 8.270 nan 0.000 0.431 426 S N -0.008 115.665 115.700 -0.044 0.000 2.382 426 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 426 S C 1.935 176.497 174.600 -0.063 0.000 1.027 426 S CA 1.642 59.812 58.200 -0.049 0.000 0.991 426 S CB -0.066 63.105 63.200 -0.049 0.000 0.823 426 S HN 0.259 nan 8.310 nan 0.000 0.469 427 S N 1.277 116.933 115.700 -0.073 0.000 2.387 427 S HA 0.108 4.578 4.470 -0.000 0.000 0.226 427 S C 1.752 176.293 174.600 -0.100 0.000 1.026 427 S CA 1.023 59.164 58.200 -0.098 0.000 0.972 427 S CB -0.400 62.734 63.200 -0.109 0.000 0.814 427 S HN 0.446 nan 8.310 nan 0.000 0.477 428 L N 1.340 122.529 121.223 -0.057 0.000 1.994 428 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 428 L C 2.463 179.321 176.870 -0.019 0.000 1.071 428 L CA 1.336 56.173 54.840 -0.006 0.000 0.745 428 L CB -0.477 41.591 42.059 0.015 0.000 0.892 428 L HN 0.245 nan 8.230 nan 0.000 0.431 429 K N -0.631 119.751 120.400 -0.030 0.000 2.044 429 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 429 K C 2.048 178.618 176.600 -0.050 0.000 1.049 429 K CA 2.016 58.285 56.287 -0.029 0.000 0.927 429 K CB -0.479 32.003 32.500 -0.030 0.000 0.713 429 K HN 0.308 nan 8.250 nan 0.000 0.443 430 T N 1.153 115.662 114.554 -0.075 0.000 2.684 430 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 430 T C 2.068 176.688 174.700 -0.133 0.000 1.036 430 T CA 1.419 63.463 62.100 -0.093 0.000 1.148 430 T CB -0.219 68.588 68.868 -0.102 0.000 0.863 430 T HN -0.035 nan 8.240 nan 0.000 0.436 431 V N 1.361 121.151 119.914 -0.207 0.000 2.427 431 V HA -0.065 4.055 4.120 -0.000 0.000 0.248 431 V C 2.463 178.400 176.094 -0.261 0.000 1.051 431 V CA 1.269 63.351 62.300 -0.364 0.000 1.048 431 V CB -0.679 30.698 31.823 -0.743 0.000 0.666 431 V HN 0.425 nan 8.190 nan 0.000 0.456 432 L N 0.545 121.711 121.223 -0.095 0.000 2.131 432 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 432 L C 2.155 179.033 176.870 0.013 0.000 1.092 432 L CA 1.551 56.422 54.840 0.052 0.000 0.759 432 L CB -0.611 41.498 42.059 0.083 0.000 0.903 432 L HN 0.493 nan 8.230 nan 0.000 0.435 433 G N -1.539 107.244 108.800 -0.027 0.000 3.371 433 G HA2 0.057 4.017 3.960 -0.000 0.000 0.248 433 G HA3 0.057 4.017 3.960 -0.000 0.000 0.248 433 G C 0.488 175.367 174.900 -0.035 0.000 1.161 433 G CA 0.031 45.118 45.100 -0.021 0.000 0.796 433 G HN 0.207 nan 8.290 nan 0.000 0.539 434 S N 0.000 115.667 115.700 -0.055 0.000 2.498 434 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 434 S CA 0.000 58.164 58.200 -0.061 0.000 1.107 434 S CB 0.000 63.135 63.200 -0.108 0.000 0.593 434 S HN 0.000 nan 8.310 nan 0.000 0.517