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 1ps8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALRMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNCTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVK IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 K N 2.337 122.745 120.400 0.013 0.000 2.401 2 K HA 0.248 4.569 4.320 0.000 0.000 0.278 2 K C -0.856 175.767 176.600 0.040 0.000 1.018 2 K CA 0.057 56.353 56.287 0.016 0.000 0.981 2 K CB 0.048 32.537 32.500 -0.017 0.000 0.933 2 K HN 0.483 nan 8.250 nan 0.000 0.477 3 N N 2.508 121.243 118.700 0.059 0.000 2.437 3 N HA 0.129 4.870 4.740 0.000 0.000 0.243 3 N C -0.711 174.846 175.510 0.077 0.000 1.041 3 N CA -0.220 52.878 53.050 0.080 0.000 0.940 3 N CB 1.097 39.643 38.487 0.099 0.000 1.133 3 N HN 0.109 nan 8.380 nan 0.000 0.506 4 V N 0.806 120.754 119.914 0.057 0.000 2.417 4 V HA 0.581 4.701 4.120 0.000 0.000 0.291 4 V C 0.832 176.882 176.094 -0.073 0.000 1.024 4 V CA -0.968 61.299 62.300 -0.056 0.000 0.861 4 V CB 1.715 33.449 31.823 -0.149 0.000 0.985 4 V HN 0.600 nan 8.190 nan 0.000 0.436 5 G N 3.089 111.795 108.800 -0.158 0.000 2.367 5 G HA2 0.675 4.635 3.960 0.000 0.000 0.314 5 G HA3 0.675 4.635 3.960 0.000 0.000 0.314 5 G C -1.284 173.390 174.900 -0.377 0.000 1.130 5 G CA -0.266 44.831 45.100 -0.005 0.000 0.864 5 G HN 0.393 nan 8.290 nan 0.000 0.486 6 F N 0.727 120.615 119.950 -0.103 0.000 2.482 6 F HA 0.586 5.113 4.527 0.000 0.000 0.331 6 F C 0.001 175.919 175.800 0.197 0.000 1.115 6 F CA -0.735 57.217 58.000 -0.081 0.000 0.955 6 F CB 2.255 41.098 39.000 -0.262 0.000 1.136 6 F HN 0.140 nan 8.300 nan 0.000 0.452 7 I N 1.469 122.168 120.570 0.214 0.000 2.509 7 I HA 0.603 4.773 4.170 0.000 0.000 0.293 7 I C 0.518 176.665 176.117 0.049 0.000 1.020 7 I CA -0.662 60.699 61.300 0.101 0.000 1.088 7 I CB 1.937 39.713 38.000 -0.373 0.000 1.267 7 I HN 0.743 nan 8.210 nan 0.000 0.430 8 G N 4.560 113.322 108.800 -0.063 0.000 2.221 8 G HA2 -0.213 3.747 3.960 0.000 0.000 0.265 8 G HA3 -0.213 3.747 3.960 0.000 0.000 0.265 8 G C 0.458 175.327 174.900 -0.053 0.000 1.041 8 G CA 0.554 45.554 45.100 -0.167 0.000 0.807 8 G HN 0.899 nan 8.290 nan 0.000 0.502 9 W N -0.940 120.412 121.300 0.087 0.000 3.180 9 W HA 0.276 4.936 4.660 0.000 0.000 0.254 9 W C 1.139 177.699 176.519 0.069 0.000 1.318 9 W CA 0.262 57.690 57.345 0.137 0.000 1.608 9 W CB -0.402 29.231 29.460 0.289 0.000 1.124 9 W HN 0.380 nan 8.180 nan 0.000 0.694 10 R N 0.472 120.688 120.500 -0.473 0.000 2.397 10 R HA 0.192 4.532 4.340 0.000 0.000 0.241 10 R C 1.485 177.657 176.300 -0.213 0.000 0.914 10 R CA 0.274 56.128 56.100 -0.409 0.000 1.071 10 R CB 0.449 30.319 30.300 -0.717 0.000 1.116 10 R HN 0.016 nan 8.270 nan 0.000 0.524 11 G N 0.602 109.307 108.800 -0.159 0.000 2.611 11 G HA2 -0.005 3.955 3.960 0.000 0.000 0.273 11 G HA3 -0.005 3.955 3.960 0.000 0.000 0.273 11 G C 0.698 175.570 174.900 -0.047 0.000 1.305 11 G CA -0.498 44.545 45.100 -0.095 0.000 1.010 11 G HN 0.032 nan 8.290 nan 0.000 0.509 12 M N -0.614 118.967 119.600 -0.032 0.000 2.059 12 M HA -0.121 4.359 4.480 0.000 0.000 0.259 12 M C 2.462 178.760 176.300 -0.002 0.000 1.072 12 M CA 1.706 56.997 55.300 -0.015 0.000 1.117 12 M CB -0.353 32.239 32.600 -0.013 0.000 1.320 12 M HN 0.239 nan 8.290 nan 0.000 0.408 13 V N 0.435 120.351 119.914 0.002 0.000 2.407 13 V HA -0.195 3.925 4.120 0.000 0.000 0.248 13 V C 2.557 178.671 176.094 0.033 0.000 1.055 13 V CA 2.052 64.359 62.300 0.011 0.000 1.049 13 V CB -1.587 30.244 31.823 0.013 0.000 0.662 13 V HN 0.776 nan 8.190 nan 0.000 0.455 14 G N -0.907 107.920 108.800 0.045 0.000 2.422 14 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 14 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 14 G C 1.852 176.833 174.900 0.135 0.000 1.146 14 G CA 1.178 46.345 45.100 0.111 0.000 0.769 14 G HN 0.511 nan 8.290 nan 0.000 0.547 15 S N -0.222 115.524 115.700 0.077 0.000 2.368 15 S HA -0.083 4.387 4.470 0.000 0.000 0.224 15 S C 2.498 177.135 174.600 0.062 0.000 1.029 15 S CA 1.024 59.270 58.200 0.077 0.000 0.988 15 S CB -0.189 63.030 63.200 0.031 0.000 0.838 15 S HN 0.177 nan 8.310 nan 0.000 0.462 16 V N 1.858 121.791 119.914 0.033 0.000 2.407 16 V HA -0.124 3.997 4.120 0.000 0.000 0.248 16 V C 2.198 178.298 176.094 0.009 0.000 1.055 16 V CA 1.396 63.700 62.300 0.007 0.000 1.049 16 V CB -0.565 31.247 31.823 -0.018 0.000 0.662 16 V HN 0.370 nan 8.190 nan 0.000 0.455 17 L N -0.656 120.589 121.223 0.037 0.000 2.027 17 L HA -0.102 4.238 4.340 0.000 0.000 0.206 17 L C 2.317 179.231 176.870 0.074 0.000 1.074 17 L CA 2.026 56.890 54.840 0.041 0.000 0.745 17 L CB -0.590 41.521 42.059 0.086 0.000 0.898 17 L HN 0.146 nan 8.230 nan 0.000 0.433 18 M N -0.508 119.179 119.600 0.144 0.000 2.108 18 M HA -0.211 4.269 4.480 0.000 0.000 0.261 18 M C 1.976 178.367 176.300 0.152 0.000 1.066 18 M CA 1.605 57.026 55.300 0.202 0.000 1.107 18 M CB -1.394 31.347 32.600 0.235 0.000 1.356 18 M HN 0.310 nan 8.290 nan 0.000 0.406 19 D N -0.352 120.101 120.400 0.088 0.000 2.117 19 D HA -0.114 4.526 4.640 0.000 0.000 0.198 19 D C 2.215 178.533 176.300 0.030 0.000 0.982 19 D CA 0.882 54.915 54.000 0.055 0.000 0.828 19 D CB -0.187 40.630 40.800 0.029 0.000 0.967 19 D HN 0.186 nan 8.370 nan 0.000 0.464 20 R N 0.211 120.710 120.500 -0.002 0.000 2.081 20 R HA 0.010 4.350 4.340 0.000 0.000 0.235 20 R C 2.380 178.652 176.300 -0.047 0.000 1.131 20 R CA 0.597 56.672 56.100 -0.042 0.000 0.960 20 R CB -0.644 29.601 30.300 -0.091 0.000 0.856 20 R HN 0.326 nan 8.270 nan 0.000 0.436 21 M N -0.011 119.555 119.600 -0.056 0.000 2.159 21 M HA -0.128 4.352 4.480 0.000 0.000 0.263 21 M C 2.245 178.523 176.300 -0.037 0.000 1.063 21 M CA 1.479 56.687 55.300 -0.155 0.000 1.110 21 M CB -0.118 32.246 32.600 -0.393 0.000 1.374 21 M HN 0.018 nan 8.290 nan 0.000 0.411 22 S N 0.194 115.967 115.700 0.122 0.000 2.356 22 S HA -0.176 4.294 4.470 0.000 0.000 0.223 22 S C 1.766 176.410 174.600 0.072 0.000 1.032 22 S CA 1.200 59.500 58.200 0.167 0.000 1.005 22 S CB -0.342 62.940 63.200 0.137 0.000 0.867 22 S HN 0.509 nan 8.310 nan 0.000 0.449 23 Q N 0.354 120.176 119.800 0.037 0.000 2.234 23 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 23 Q C 0.965 176.972 176.000 0.011 0.000 0.980 23 Q CA 0.912 56.726 55.803 0.018 0.000 0.869 23 Q CB -0.042 28.700 28.738 0.007 0.000 0.912 23 Q HN 0.409 nan 8.270 nan 0.000 0.436 24 E N 0.063 120.260 120.200 -0.004 0.000 2.501 24 E HA 0.077 4.427 4.350 0.000 0.000 0.200 24 E C -0.589 176.001 176.600 -0.016 0.000 1.016 24 E CA -0.246 56.146 56.400 -0.013 0.000 0.921 24 E CB 0.104 29.785 29.700 -0.032 0.000 1.034 24 E HN 0.251 nan 8.360 nan 0.000 0.468 25 N N 2.148 120.852 118.700 0.008 0.000 2.686 25 N HA -0.169 4.571 4.740 0.000 0.000 0.261 25 N C -0.060 175.439 175.510 -0.020 0.000 1.001 25 N CA 0.616 53.683 53.050 0.027 0.000 0.764 25 N CB -0.403 38.102 38.487 0.029 0.000 0.898 25 N HN 0.114 nan 8.380 nan 0.000 0.544 26 D N -1.003 119.325 120.400 -0.121 0.000 2.289 26 D HA 0.027 4.668 4.640 0.000 0.000 0.207 26 D C 1.322 177.484 176.300 -0.231 0.000 0.966 26 D CA 0.602 54.474 54.000 -0.214 0.000 0.868 26 D CB -0.050 40.553 40.800 -0.328 0.000 0.943 26 D HN 0.503 nan 8.370 nan 0.000 0.514 27 F N 1.185 121.123 119.950 -0.020 0.000 2.407 27 F HA -0.020 4.507 4.527 0.000 0.000 0.299 27 F C 2.188 177.980 175.800 -0.013 0.000 1.097 27 F CA 0.552 58.537 58.000 -0.024 0.000 1.422 27 F CB 0.176 39.147 39.000 -0.049 0.000 1.067 27 F HN -0.164 nan 8.300 nan 0.000 0.539 28 E N 0.175 120.455 120.200 0.134 0.000 2.511 28 E HA -0.048 4.302 4.350 0.000 0.000 0.196 28 E C 0.504 177.130 176.600 0.044 0.000 1.066 28 E CA 0.465 56.912 56.400 0.078 0.000 0.871 28 E CB -0.464 29.267 29.700 0.053 0.000 0.863 28 E HN 0.620 nan 8.360 nan 0.000 0.520 29 N N 0.011 118.728 118.700 0.029 0.000 2.177 29 N HA 0.106 4.846 4.740 0.000 0.000 0.218 29 N C -0.347 175.170 175.510 0.012 0.000 1.182 29 N CA -0.087 52.967 53.050 0.006 0.000 0.882 29 N CB 0.627 39.101 38.487 -0.023 0.000 1.052 29 N HN -0.050 nan 8.380 nan 0.000 0.519 30 L N -3.229 118.022 121.223 0.047 0.000 2.600 30 L HA 0.417 4.757 4.340 0.000 0.000 0.257 30 L C -1.185 175.748 176.870 0.104 0.000 1.048 30 L CA -1.069 53.809 54.840 0.064 0.000 0.869 30 L CB 1.288 43.385 42.059 0.063 0.000 1.482 30 L HN -0.159 nan 8.230 nan 0.000 0.408 31 N N 1.833 120.590 118.700 0.095 0.000 2.589 31 N HA 0.410 5.150 4.740 0.000 0.000 0.232 31 N C -2.565 173.017 175.510 0.120 0.000 1.015 31 N CA -1.561 51.544 53.050 0.092 0.000 0.931 31 N CB 1.292 39.818 38.487 0.065 0.000 1.150 31 N HN 0.610 nan 8.380 nan 0.000 0.512 32 P HA 0.118 nan 4.420 nan 0.000 0.279 32 P C -0.895 176.371 177.300 -0.057 0.000 1.239 32 P CA -0.244 62.904 63.100 0.080 0.000 0.789 32 P CB 1.763 33.467 31.700 0.007 0.000 0.933 33 V N 4.269 124.108 119.914 -0.124 0.000 2.569 33 V HA 0.328 4.449 4.120 0.000 0.000 0.301 33 V C -0.359 175.594 176.094 -0.235 0.000 1.044 33 V CA -0.385 61.849 62.300 -0.110 0.000 0.874 33 V CB 1.139 32.981 31.823 0.033 0.000 1.002 33 V HN 0.349 nan 8.190 nan 0.000 0.424 34 F N 4.499 124.346 119.950 -0.170 0.000 2.399 34 F HA 0.759 5.286 4.527 0.000 0.000 0.334 34 F C -0.098 175.627 175.800 -0.124 0.000 1.097 34 F CA -0.476 57.437 58.000 -0.146 0.000 1.076 34 F CB 1.210 39.857 39.000 -0.587 0.000 1.162 34 F HN 0.278 nan 8.300 nan 0.000 0.495 35 F N 0.093 120.263 119.950 0.366 0.000 2.594 35 F HA 0.726 5.254 4.527 0.000 0.000 0.335 35 F C 0.322 176.325 175.800 0.338 0.000 1.058 35 F CA -0.853 57.303 58.000 0.261 0.000 0.981 35 F CB 2.069 41.133 39.000 0.106 0.000 1.289 35 F HN 0.335 nan 8.300 nan 0.000 0.490 36 T N -1.533 113.210 114.554 0.315 0.000 2.843 36 T HA 0.410 4.760 4.350 0.000 0.000 0.302 36 T C 0.178 174.896 174.700 0.030 0.000 1.232 36 T CA -0.080 62.105 62.100 0.141 0.000 1.009 36 T CB 1.370 70.317 68.868 0.132 0.000 1.254 36 T HN 0.752 nan 8.240 nan 0.000 0.504 37 T N -0.803 113.738 114.554 -0.023 0.000 3.054 37 T HA 0.322 4.672 4.350 0.000 0.000 0.255 37 T C 1.046 175.827 174.700 0.135 0.000 1.035 37 T CA 0.016 62.133 62.100 0.029 0.000 0.941 37 T CB 0.139 69.030 68.868 0.038 0.000 1.026 37 T HN 0.452 nan 8.240 nan 0.000 0.533 38 S N 0.731 116.475 115.700 0.073 0.000 2.600 38 S HA 0.242 4.712 4.470 0.000 0.000 0.265 38 S C 0.526 175.181 174.600 0.091 0.000 1.325 38 S CA -0.425 57.817 58.200 0.069 0.000 1.002 38 S CB 0.942 64.159 63.200 0.029 0.000 0.921 38 S HN 0.478 nan 8.310 nan 0.000 0.554 39 Q N 0.836 120.681 119.800 0.075 0.000 2.135 39 Q HA 0.336 4.676 4.340 0.000 0.000 0.231 39 Q C 0.185 176.213 176.000 0.048 0.000 0.817 39 Q CA -0.458 55.387 55.803 0.071 0.000 1.073 39 Q CB 0.956 29.737 28.738 0.072 0.000 1.176 39 Q HN 0.768 nan 8.270 nan 0.000 0.478 56 K N 1.155 121.427 120.400 -0.214 0.000 2.102 56 K HA 0.648 4.968 4.320 0.000 0.000 0.244 56 K C -0.078 176.515 176.600 -0.011 0.000 1.021 56 K CA -0.290 55.864 56.287 -0.223 0.000 0.913 56 K CB 0.944 33.094 32.500 -0.583 0.000 1.062 56 K HN 0.493 nan 8.250 nan 0.000 0.485 57 S N 0.413 116.198 115.700 0.140 0.000 2.452 57 S HA 0.308 4.778 4.470 0.000 0.000 0.284 57 S C 0.764 175.596 174.600 0.387 0.000 1.171 57 S CA -0.584 57.759 58.200 0.239 0.000 1.064 57 S CB 0.737 64.072 63.200 0.224 0.000 0.967 57 S HN 0.606 nan 8.310 nan 0.000 0.484 58 A N 4.574 127.516 122.820 0.202 0.000 2.225 58 A HA 0.117 4.437 4.320 0.000 0.000 0.215 58 A C 0.772 178.310 177.584 -0.078 0.000 1.164 58 A CA 0.998 53.054 52.037 0.033 0.000 0.710 58 A CB -0.500 18.341 19.000 -0.266 0.000 0.780 58 A HN 0.809 nan 8.150 nan 0.000 0.473 59 F N -0.676 119.438 119.950 0.274 0.000 2.678 59 F HA 0.201 4.728 4.527 0.000 0.000 0.305 59 F C 0.575 176.442 175.800 0.111 0.000 1.090 59 F CA -1.167 56.931 58.000 0.163 0.000 1.272 59 F CB 0.380 39.460 39.000 0.134 0.000 1.060 59 F HN 0.098 nan 8.300 nan 0.000 0.576 60 D N 1.941 122.508 120.400 0.279 0.000 2.435 60 D HA 0.056 4.696 4.640 0.000 0.000 0.230 60 D C 1.617 178.000 176.300 0.138 0.000 1.215 60 D CA 0.196 54.318 54.000 0.202 0.000 0.947 60 D CB 0.363 41.291 40.800 0.213 0.000 1.048 60 D HN 0.009 nan 8.370 nan 0.000 0.512 61 I N 2.608 123.228 120.570 0.083 0.000 2.248 61 I HA -0.250 3.920 4.170 0.000 0.000 0.248 61 I C 2.002 178.120 176.117 0.002 0.000 1.107 61 I CA 1.085 62.390 61.300 0.008 0.000 1.373 61 I CB -0.464 37.532 38.000 -0.007 0.000 1.055 61 I HN 0.439 nan 8.210 nan 0.000 0.418 62 E N 0.646 120.873 120.200 0.046 0.000 2.072 62 E HA -0.180 4.170 4.350 0.000 0.000 0.191 62 E C 2.042 178.690 176.600 0.081 0.000 0.985 62 E CA 0.864 57.297 56.400 0.055 0.000 0.801 62 E CB -0.198 29.539 29.700 0.062 0.000 0.750 62 E HN 0.481 nan 8.360 nan 0.000 0.452 63 E N 0.563 120.840 120.200 0.128 0.000 2.150 63 E HA -0.081 4.269 4.350 0.000 0.000 0.193 63 E C 2.332 179.070 176.600 0.230 0.000 0.985 63 E CA 0.379 56.897 56.400 0.195 0.000 0.814 63 E CB -0.110 29.749 29.700 0.265 0.000 0.752 63 E HN 0.294 nan 8.360 nan 0.000 0.466 64 L N 0.499 121.784 121.223 0.104 0.000 2.179 64 L HA -0.062 4.278 4.340 0.000 0.000 0.208 64 L C 2.567 179.289 176.870 -0.247 0.000 1.096 64 L CA 0.808 55.568 54.840 -0.135 0.000 0.779 64 L CB -0.238 41.644 42.059 -0.295 0.000 0.922 64 L HN 0.007 nan 8.230 nan 0.000 0.443 65 K N 0.735 121.035 120.400 -0.167 0.000 2.283 65 K HA -0.160 4.160 4.320 0.000 0.000 0.202 65 K C 1.815 178.550 176.600 0.225 0.000 1.048 65 K CA 1.026 57.258 56.287 -0.091 0.000 0.948 65 K CB 0.201 32.726 32.500 0.042 0.000 0.742 65 K HN 0.175 nan 8.250 nan 0.000 0.458 66 K N 0.192 120.695 120.400 0.172 0.000 2.366 66 K HA 0.073 4.393 4.320 0.000 0.000 0.198 66 K C 0.284 177.030 176.600 0.243 0.000 1.044 66 K CA 0.224 56.631 56.287 0.200 0.000 0.973 66 K CB 0.149 32.737 32.500 0.148 0.000 0.767 66 K HN 0.080 nan 8.250 nan 0.000 0.475 67 L N 1.028 122.424 121.223 0.289 0.000 2.418 67 L HA 0.056 4.396 4.340 0.000 0.000 0.265 67 L C 0.900 178.020 176.870 0.417 0.000 1.143 67 L CA -0.379 54.639 54.840 0.296 0.000 0.809 67 L CB 0.719 42.911 42.059 0.222 0.000 1.124 67 L HN 0.053 nan 8.230 nan 0.000 0.456 68 D N 1.441 122.000 120.400 0.264 0.000 2.213 68 D HA 0.196 4.836 4.640 0.000 0.000 0.205 68 D C 0.313 176.775 176.300 0.270 0.000 0.961 68 D CA 1.330 55.456 54.000 0.211 0.000 0.853 68 D CB 0.690 41.557 40.800 0.110 0.000 0.967 68 D HN 0.292 nan 8.370 nan 0.000 0.496 69 I N 1.040 121.759 120.570 0.248 0.000 2.656 69 I HA 0.223 4.393 4.170 0.000 0.000 0.292 69 I C -0.971 175.197 176.117 0.084 0.000 1.144 69 I CA -0.732 60.699 61.300 0.218 0.000 1.038 69 I CB 3.117 41.130 38.000 0.021 0.000 1.244 69 I HN -0.306 nan 8.210 nan 0.000 0.420 70 I N 5.879 126.497 120.570 0.080 0.000 2.389 70 I HA 0.420 4.590 4.170 0.000 0.000 0.288 70 I C -0.383 175.444 176.117 -0.484 0.000 0.999 70 I CA -0.723 60.409 61.300 -0.279 0.000 1.129 70 I CB 1.861 39.633 38.000 -0.381 0.000 1.288 70 I HN 0.158 nan 8.210 nan 0.000 0.444 71 V N 5.251 124.801 119.914 -0.607 0.000 2.409 71 V HA 0.501 4.621 4.120 0.000 0.000 0.291 71 V C 0.116 175.942 176.094 -0.447 0.000 1.020 71 V CA -0.413 61.558 62.300 -0.548 0.000 0.848 71 V CB 1.875 33.303 31.823 -0.657 0.000 0.990 71 V HN 0.835 nan 8.190 nan 0.000 0.430 72 T N 3.577 117.892 114.554 -0.399 0.000 2.881 72 T HA 0.358 4.708 4.350 0.000 0.000 0.290 72 T C -0.047 174.584 174.700 -0.114 0.000 1.000 72 T CA -0.221 61.716 62.100 -0.271 0.000 0.978 72 T CB 1.151 69.811 68.868 -0.346 0.000 0.997 72 T HN 0.699 nan 8.240 nan 0.000 0.443 73 C N 3.916 123.181 119.300 -0.058 0.000 3.115 73 C HA 0.271 4.732 4.460 0.000 0.000 0.277 73 C C 1.989 176.959 174.990 -0.032 0.000 1.460 73 C CA -0.448 58.564 59.018 -0.010 0.000 1.789 73 C CB -0.628 27.130 27.740 0.030 0.000 2.674 73 C HN 0.973 nan 8.230 nan 0.000 0.582 74 Q N 1.988 121.731 119.800 -0.096 0.000 2.084 74 Q HA 0.271 4.611 4.340 0.000 0.000 0.202 74 Q C 1.070 177.076 176.000 0.011 0.000 0.978 74 Q CA 2.062 57.787 55.803 -0.131 0.000 0.844 74 Q CB -0.032 28.446 28.738 -0.432 0.000 0.898 74 Q HN 0.693 nan 8.270 nan 0.000 0.426 75 G N -3.671 105.186 108.800 0.095 0.000 2.347 75 G HA2 0.170 4.130 3.960 0.000 0.000 0.477 75 G HA3 0.170 4.130 3.960 0.000 0.000 0.477 75 G C 0.440 175.455 174.900 0.191 0.000 1.349 75 G CA -0.234 44.943 45.100 0.128 0.000 1.000 75 G HN 0.315 nan 8.290 nan 0.000 0.605 76 G N -0.406 108.482 108.800 0.147 0.000 2.476 76 G HA2 -0.153 3.807 3.960 0.000 0.000 0.218 76 G HA3 -0.153 3.807 3.960 0.000 0.000 0.218 76 G C 1.270 176.260 174.900 0.151 0.000 1.164 76 G CA 2.138 47.321 45.100 0.138 0.000 0.768 76 G HN 0.737 nan 8.290 nan 0.000 0.560 77 D N -0.259 120.233 120.400 0.153 0.000 2.087 77 D HA -0.165 4.475 4.640 0.000 0.000 0.192 77 D C 1.992 178.411 176.300 0.199 0.000 0.993 77 D CA 1.302 55.391 54.000 0.149 0.000 0.828 77 D CB -0.591 40.294 40.800 0.142 0.000 0.968 77 D HN 0.367 nan 8.370 nan 0.000 0.448 78 Y N 2.038 122.436 120.300 0.162 0.000 2.040 78 Y HA -0.328 4.222 4.550 0.000 0.000 0.275 78 Y C 2.560 178.599 175.900 0.233 0.000 1.171 78 Y CA 2.528 60.760 58.100 0.219 0.000 1.123 78 Y CB -0.789 37.775 38.460 0.173 0.000 0.963 78 Y HN -0.088 nan 8.280 nan 0.000 0.493 79 T N 1.063 115.828 114.554 0.352 0.000 2.635 79 T HA -0.237 4.113 4.350 0.000 0.000 0.267 79 T C 1.607 176.337 174.700 0.050 0.000 1.040 79 T CA 1.730 64.004 62.100 0.288 0.000 1.156 79 T CB -0.443 68.625 68.868 0.334 0.000 0.863 79 T HN 0.414 nan 8.240 nan 0.000 0.430 80 N N 0.632 119.365 118.700 0.055 0.000 2.381 80 N HA -0.066 4.674 4.740 0.000 0.000 0.182 80 N C 1.822 177.326 175.510 -0.010 0.000 1.025 80 N CA 0.748 53.808 53.050 0.018 0.000 0.888 80 N CB -0.126 38.378 38.487 0.029 0.000 0.965 80 N HN 0.624 nan 8.380 nan 0.000 0.438 81 E N 0.042 120.226 120.200 -0.028 0.000 2.127 81 E HA 0.008 4.358 4.350 0.000 0.000 0.191 81 E C 1.428 177.962 176.600 -0.109 0.000 0.964 81 E CA 0.370 56.737 56.400 -0.054 0.000 0.832 81 E CB 0.430 30.116 29.700 -0.022 0.000 0.790 81 E HN -0.012 nan 8.360 nan 0.000 0.465 82 V N 0.511 120.303 119.914 -0.203 0.000 2.685 82 V HA -0.114 4.006 4.120 0.000 0.000 0.244 82 V C 1.909 177.866 176.094 -0.228 0.000 1.054 82 V CA 0.966 63.130 62.300 -0.225 0.000 1.076 82 V CB -0.566 31.003 31.823 -0.423 0.000 0.725 82 V HN 0.329 nan 8.190 nan 0.000 0.467 83 Y N 3.225 123.233 120.300 -0.486 0.000 2.030 83 Y HA -0.190 4.360 4.550 0.000 0.000 0.274 83 Y C 0.188 175.843 175.900 -0.410 0.000 1.153 83 Y CA 2.634 60.278 58.100 -0.761 0.000 1.115 83 Y CB -1.647 36.285 38.460 -0.880 0.000 0.969 83 Y HN 0.263 nan 8.280 nan 0.000 0.488 84 P HA -0.213 nan 4.420 nan 0.000 0.215 84 P C 1.206 178.358 177.300 -0.248 0.000 1.153 84 P CA 2.200 65.119 63.100 -0.301 0.000 0.853 84 P CB -0.106 31.515 31.700 -0.131 0.000 0.788 85 K N -0.887 119.400 120.400 -0.188 0.000 2.063 85 K HA -0.158 4.162 4.320 0.000 0.000 0.208 85 K C 2.239 178.753 176.600 -0.145 0.000 1.048 85 K CA 1.086 57.292 56.287 -0.136 0.000 0.928 85 K CB -0.670 31.769 32.500 -0.102 0.000 0.713 85 K HN 0.005 nan 8.250 nan 0.000 0.442 86 L N 1.564 122.665 121.223 -0.202 0.000 2.005 86 L HA -0.163 4.177 4.340 0.000 0.000 0.207 86 L C 1.690 178.502 176.870 -0.096 0.000 1.072 86 L CA 1.821 56.549 54.840 -0.186 0.000 0.744 86 L CB -0.284 41.595 42.059 -0.299 0.000 0.895 86 L HN -0.018 nan 8.230 nan 0.000 0.433 87 K N 0.041 120.317 120.400 -0.207 0.000 2.281 87 K HA -0.064 4.256 4.320 0.000 0.000 0.203 87 K C 1.962 178.505 176.600 -0.095 0.000 1.046 87 K CA 1.171 57.363 56.287 -0.159 0.000 0.938 87 K CB -0.720 31.533 32.500 -0.411 0.000 0.737 87 K HN 0.475 nan 8.250 nan 0.000 0.458 88 A N 1.402 124.159 122.820 -0.105 0.000 2.066 88 A HA -0.089 4.231 4.320 0.000 0.000 0.218 88 A C 2.037 179.606 177.584 -0.025 0.000 1.157 88 A CA 1.739 53.736 52.037 -0.067 0.000 0.670 88 A CB -0.634 18.323 19.000 -0.072 0.000 0.804 88 A HN 0.442 nan 8.150 nan 0.000 0.453 89 T N -4.292 110.263 114.554 0.001 0.000 3.169 89 T HA 0.394 4.744 4.350 0.000 0.000 0.250 89 T C 1.339 176.079 174.700 0.067 0.000 1.111 89 T CA 0.985 63.106 62.100 0.034 0.000 1.010 89 T CB -0.136 68.759 68.868 0.044 0.000 0.984 89 T HN 1.582 nan 8.240 nan 0.000 0.537 90 G N 0.721 109.555 108.800 0.056 0.000 2.184 90 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 90 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 90 G C -0.022 174.934 174.900 0.093 0.000 0.975 90 G CA -0.138 44.990 45.100 0.047 0.000 0.642 90 G HN 0.742 nan 8.290 nan 0.000 0.536 91 W N 1.359 122.633 121.300 -0.044 0.000 2.480 91 W HA 0.315 4.975 4.660 0.000 0.000 0.337 91 W C 0.846 177.348 176.519 -0.028 0.000 1.201 91 W CA 0.913 58.245 57.345 -0.021 0.000 1.309 91 W CB 0.398 29.849 29.460 -0.014 0.000 1.168 91 W HN 0.165 nan 8.180 nan 0.000 0.566 92 D N 3.150 123.209 120.400 -0.569 0.000 2.379 92 D HA 0.162 4.802 4.640 0.000 0.000 0.208 92 D C 1.243 176.987 176.300 -0.927 0.000 1.065 92 D CA 0.564 54.220 54.000 -0.573 0.000 0.848 92 D CB -0.144 40.478 40.800 -0.296 0.000 0.949 92 D HN 0.380 nan 8.370 nan 0.000 0.509 93 G N -0.580 107.091 108.800 -1.882 0.000 2.683 93 G HA2 0.198 4.158 3.960 0.000 0.000 0.260 93 G HA3 0.198 4.158 3.960 0.000 0.000 0.260 93 G C -0.751 173.502 174.900 -1.078 0.000 1.238 93 G CA -0.337 43.864 45.100 -1.497 0.000 0.934 93 G HN 0.107 nan 8.290 nan 0.000 0.534 94 Y N -0.928 119.212 120.300 -0.266 0.000 2.334 94 Y HA 0.366 4.916 4.550 0.000 0.000 0.328 94 Y C -0.039 176.147 175.900 0.477 0.000 1.130 94 Y CA -0.556 57.620 58.100 0.127 0.000 1.163 94 Y CB 1.522 40.049 38.460 0.112 0.000 1.207 94 Y HN 0.491 nan 8.280 nan 0.000 0.471 95 W N 5.600 127.182 121.300 0.470 0.000 2.362 95 W HA 0.611 5.271 4.660 0.000 0.000 0.316 95 W C -1.987 174.715 176.519 0.304 0.000 1.024 95 W CA -0.978 56.620 57.345 0.422 0.000 1.270 95 W CB 1.364 31.117 29.460 0.490 0.000 1.273 95 W HN 0.215 nan 8.180 nan 0.000 0.424 96 V N 6.558 126.473 119.914 0.002 0.000 2.357 96 V HA 0.232 4.352 4.120 0.000 0.000 0.284 96 V C -0.258 175.736 176.094 -0.166 0.000 1.018 96 V CA -0.277 62.041 62.300 0.029 0.000 0.841 96 V CB 1.338 33.140 31.823 -0.035 0.000 0.991 96 V HN 0.420 nan 8.190 nan 0.000 0.437 97 D N 3.101 123.518 120.400 0.030 0.000 2.619 97 D HA 0.680 5.320 4.640 0.000 0.000 0.241 97 D C 0.414 176.759 176.300 0.076 0.000 1.087 97 D CA -0.239 53.789 54.000 0.046 0.000 0.851 97 D CB 2.802 43.782 40.800 0.300 0.000 1.474 97 D HN 0.458 nan 8.370 nan 0.000 0.478 98 A N 2.242 125.095 122.820 0.055 0.000 2.115 98 A HA 0.494 4.814 4.320 0.000 0.000 0.211 98 A C 1.095 178.724 177.584 0.075 0.000 1.169 98 A CA 0.722 52.794 52.037 0.057 0.000 0.787 98 A CB -0.134 18.888 19.000 0.037 0.000 0.858 98 A HN 0.587 nan 8.150 nan 0.000 0.474 99 A N 0.298 123.174 122.820 0.094 0.000 2.429 99 A HA 0.395 4.715 4.320 0.000 0.000 0.242 99 A C 1.454 179.096 177.584 0.095 0.000 1.088 99 A CA 0.491 52.588 52.037 0.100 0.000 0.784 99 A CB 0.071 19.147 19.000 0.126 0.000 1.038 99 A HN 0.976 nan 8.150 nan 0.000 0.501 100 S N 0.018 115.771 115.700 0.089 0.000 2.575 100 S HA 0.230 4.701 4.470 0.000 0.000 0.215 100 S C 1.697 176.341 174.600 0.073 0.000 0.966 100 S CA 0.751 59.001 58.200 0.083 0.000 0.911 100 S CB -0.412 62.845 63.200 0.096 0.000 0.780 100 S HN 1.404 nan 8.310 nan 0.000 0.514 101 A N 2.338 125.200 122.820 0.070 0.000 1.985 101 A HA -0.075 4.245 4.320 0.000 0.000 0.223 101 A C 1.953 179.533 177.584 -0.006 0.000 1.189 101 A CA 1.848 53.909 52.037 0.041 0.000 0.658 101 A CB -0.720 18.308 19.000 0.048 0.000 0.820 101 A HN 0.643 nan 8.150 nan 0.000 0.464 102 L N -2.738 118.466 121.223 -0.031 0.000 2.858 102 L HA 0.201 4.541 4.340 0.000 0.000 0.251 102 L C 2.054 178.902 176.870 -0.036 0.000 1.149 102 L CA -0.187 54.599 54.840 -0.090 0.000 0.955 102 L CB -0.068 41.837 42.059 -0.257 0.000 1.289 102 L HN 0.250 nan 8.230 nan 0.000 0.542 103 R N 0.049 120.557 120.500 0.013 0.000 2.133 103 R HA -0.200 4.140 4.340 0.000 0.000 0.247 103 R C 1.880 178.193 176.300 0.023 0.000 1.151 103 R CA 1.636 57.750 56.100 0.024 0.000 0.971 103 R CB -0.121 30.207 30.300 0.046 0.000 0.866 103 R HN 0.246 nan 8.270 nan 0.000 0.447 104 M N 0.264 119.893 119.600 0.048 0.000 2.357 104 M HA 0.032 4.512 4.480 0.000 0.000 0.266 104 M C 0.204 176.521 176.300 0.029 0.000 1.095 104 M CA 0.788 56.125 55.300 0.062 0.000 1.156 104 M CB -0.172 32.504 32.600 0.126 0.000 1.365 104 M HN -0.301 nan 8.290 nan 0.000 0.447 105 K N 2.009 122.415 120.400 0.009 0.000 2.579 105 K HA -0.142 4.178 4.320 0.000 0.000 0.277 105 K C 0.561 177.154 176.600 -0.012 0.000 0.985 105 K CA 0.574 56.859 56.287 -0.003 0.000 1.088 105 K CB -0.147 32.341 32.500 -0.020 0.000 0.836 105 K HN 0.223 nan 8.250 nan 0.000 0.487 106 D N 0.999 121.395 120.400 -0.006 0.000 2.218 106 D HA -0.155 4.485 4.640 0.000 0.000 0.204 106 D C 0.636 176.918 176.300 -0.030 0.000 0.976 106 D CA 1.460 55.453 54.000 -0.012 0.000 0.853 106 D CB 0.032 40.829 40.800 -0.004 0.000 0.939 106 D HN 0.675 nan 8.370 nan 0.000 0.481 107 D N -0.026 120.354 120.400 -0.033 0.000 2.370 107 D HA 0.179 4.819 4.640 0.000 0.000 0.230 107 D C -0.063 176.180 176.300 -0.096 0.000 1.143 107 D CA -0.201 53.768 54.000 -0.051 0.000 0.834 107 D CB -0.017 40.767 40.800 -0.027 0.000 0.944 107 D HN 0.079 nan 8.370 nan 0.000 0.504 108 A N 0.336 123.089 122.820 -0.111 0.000 2.386 108 A HA 0.679 4.999 4.320 0.000 0.000 0.311 108 A C -0.786 176.687 177.584 -0.185 0.000 1.068 108 A CA -0.779 51.154 52.037 -0.174 0.000 0.743 108 A CB 1.525 20.453 19.000 -0.120 0.000 1.258 108 A HN 0.204 nan 8.150 nan 0.000 0.429 109 I N 1.729 122.121 120.570 -0.297 0.000 2.603 109 I HA 0.394 4.564 4.170 0.000 0.000 0.300 109 I C -0.708 175.379 176.117 -0.050 0.000 1.017 109 I CA -0.655 60.539 61.300 -0.177 0.000 1.098 109 I CB 2.069 39.941 38.000 -0.213 0.000 1.279 109 I HN 0.514 nan 8.210 nan 0.000 0.437 110 I N 5.978 126.557 120.570 0.015 0.000 2.304 110 I HA 0.216 4.386 4.170 0.000 0.000 0.291 110 I C 0.139 176.315 176.117 0.099 0.000 1.018 110 I CA -0.781 60.550 61.300 0.052 0.000 1.260 110 I CB 1.069 39.078 38.000 0.016 0.000 1.390 110 I HN 0.262 nan 8.210 nan 0.000 0.475 111 V N 5.436 125.441 119.914 0.151 0.000 2.785 111 V HA 0.580 4.700 4.120 0.000 0.000 0.300 111 V C -0.232 175.924 176.094 0.104 0.000 1.062 111 V CA -0.496 61.901 62.300 0.161 0.000 1.029 111 V CB 1.667 33.607 31.823 0.196 0.000 1.024 111 V HN 0.693 nan 8.190 nan 0.000 0.477 112 L N 3.038 124.316 121.223 0.093 0.000 2.332 112 L HA 0.248 4.588 4.340 0.000 0.000 0.260 112 L C 0.650 177.554 176.870 0.057 0.000 1.344 112 L CA 0.789 55.672 54.840 0.072 0.000 0.741 112 L CB -0.059 42.010 42.059 0.016 0.000 0.930 112 L HN 0.976 nan 8.230 nan 0.000 0.556 113 D N -0.455 119.994 120.400 0.082 0.000 2.172 113 D HA -0.192 4.448 4.640 0.000 0.000 0.196 113 D C -1.079 175.262 176.300 0.069 0.000 0.999 113 D CA 1.691 55.735 54.000 0.074 0.000 0.856 113 D CB -0.548 40.294 40.800 0.071 0.000 0.934 113 D HN 0.429 nan 8.370 nan 0.000 0.453 114 P HA -0.086 nan 4.420 nan 0.000 0.221 114 P C 1.239 178.591 177.300 0.087 0.000 1.145 114 P CA 0.794 63.932 63.100 0.064 0.000 0.795 114 P CB 0.196 31.832 31.700 -0.106 0.000 0.775 115 V N -0.042 119.922 119.914 0.083 0.000 2.602 115 V HA 0.017 4.137 4.120 0.000 0.000 0.235 115 V C 1.277 177.430 176.094 0.098 0.000 1.087 115 V CA 1.466 63.854 62.300 0.147 0.000 1.117 115 V CB -0.805 31.029 31.823 0.018 0.000 0.820 115 V HN 0.177 nan 8.190 nan 0.000 0.490 116 N N 0.812 119.549 118.700 0.062 0.000 2.714 116 N HA 0.048 4.788 4.740 0.000 0.000 0.298 116 N C 0.987 176.555 175.510 0.097 0.000 1.298 116 N CA -0.076 53.018 53.050 0.074 0.000 1.007 116 N CB 0.679 39.198 38.487 0.052 0.000 1.318 116 N HN 0.383 nan 8.380 nan 0.000 0.516 117 Q N 0.792 120.647 119.800 0.093 0.000 2.002 117 Q HA -0.235 4.106 4.340 0.000 0.000 0.204 117 Q C 1.719 177.778 176.000 0.099 0.000 0.988 117 Q CA 1.756 57.607 55.803 0.080 0.000 0.843 117 Q CB -0.701 28.071 28.738 0.056 0.000 0.908 117 Q HN 0.588 nan 8.270 nan 0.000 0.420 118 H N -0.655 118.435 119.070 0.034 0.000 2.325 118 H HA -0.147 4.409 4.556 0.000 0.000 0.293 118 H C 1.906 177.262 175.328 0.046 0.000 1.106 118 H CA 2.115 58.183 56.048 0.034 0.000 1.247 118 H CB -0.113 29.665 29.762 0.027 0.000 1.359 118 H HN 0.237 nan 8.280 nan 0.000 0.488 119 V N 1.052 121.097 119.914 0.219 0.000 2.343 119 V HA -0.241 3.879 4.120 0.000 0.000 0.247 119 V C 2.903 179.086 176.094 0.148 0.000 1.051 119 V CA 1.712 64.110 62.300 0.162 0.000 1.036 119 V CB -0.496 31.394 31.823 0.111 0.000 0.654 119 V HN 0.332 nan 8.190 nan 0.000 0.451 120 I N -0.056 120.605 120.570 0.151 0.000 2.179 120 I HA -0.211 3.959 4.170 0.000 0.000 0.242 120 I C 2.619 178.829 176.117 0.155 0.000 1.088 120 I CA 1.524 62.945 61.300 0.202 0.000 1.357 120 I CB -0.444 37.649 38.000 0.155 0.000 1.051 120 I HN 0.262 nan 8.210 nan 0.000 0.409 121 S N 0.512 116.250 115.700 0.064 0.000 2.353 121 S HA -0.187 4.283 4.470 0.000 0.000 0.222 121 S C 1.890 176.512 174.600 0.036 0.000 1.035 121 S CA 1.366 59.572 58.200 0.009 0.000 1.025 121 S CB -0.276 62.867 63.200 -0.095 0.000 0.902 121 S HN 0.421 nan 8.310 nan 0.000 0.440 122 E N 1.028 121.255 120.200 0.045 0.000 2.077 122 E HA -0.079 4.271 4.350 0.000 0.000 0.193 122 E C 2.338 178.992 176.600 0.089 0.000 0.989 122 E CA 1.221 57.660 56.400 0.065 0.000 0.800 122 E CB -1.120 28.638 29.700 0.097 0.000 0.746 122 E HN 0.563 nan 8.360 nan 0.000 0.452 123 G N 1.159 110.033 108.800 0.122 0.000 2.432 123 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 123 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 123 G C 1.709 176.726 174.900 0.194 0.000 1.135 123 G CA 0.412 45.591 45.100 0.132 0.000 0.767 123 G HN 0.185 nan 8.290 nan 0.000 0.550 124 L N -0.409 120.964 121.223 0.251 0.000 2.201 124 L HA 0.003 4.343 4.340 0.000 0.000 0.212 124 L C 2.882 179.851 176.870 0.165 0.000 1.105 124 L CA 1.005 56.010 54.840 0.276 0.000 0.775 124 L CB -0.133 42.036 42.059 0.183 0.000 0.913 124 L HN 0.209 nan 8.230 nan 0.000 0.440 125 K N -0.031 120.432 120.400 0.106 0.000 2.098 125 K HA -0.125 4.195 4.320 0.000 0.000 0.203 125 K C 1.996 178.629 176.600 0.055 0.000 1.051 125 K CA 0.533 56.859 56.287 0.066 0.000 0.957 125 K CB -0.015 32.511 32.500 0.042 0.000 0.738 125 K HN 0.062 nan 8.250 nan 0.000 0.447 126 K N 0.692 121.125 120.400 0.055 0.000 2.442 126 K HA -0.122 4.198 4.320 0.000 0.000 0.199 126 K C 0.327 176.941 176.600 0.025 0.000 1.044 126 K CA 1.028 57.336 56.287 0.035 0.000 0.941 126 K CB -0.069 32.450 32.500 0.032 0.000 0.759 126 K HN 0.367 nan 8.250 nan 0.000 0.472 127 G N 1.165 109.991 108.800 0.043 0.000 2.255 127 G HA2 -0.148 3.812 3.960 0.000 0.000 0.239 127 G HA3 -0.148 3.812 3.960 0.000 0.000 0.239 127 G C -0.242 174.649 174.900 -0.015 0.000 1.083 127 G CA -0.222 44.888 45.100 0.016 0.000 0.826 127 G HN 0.152 nan 8.290 nan 0.000 0.493 128 I N 0.053 120.641 120.570 0.030 0.000 2.428 128 I HA 0.354 4.524 4.170 0.000 0.000 0.289 128 I C 0.916 177.012 176.117 -0.034 0.000 1.019 128 I CA -0.280 60.990 61.300 -0.051 0.000 1.351 128 I CB 1.523 39.441 38.000 -0.136 0.000 1.412 128 I HN -0.009 nan 8.210 nan 0.000 0.513 129 K N 3.170 123.479 120.400 -0.152 0.000 2.402 129 K HA 0.202 4.522 4.320 0.000 0.000 0.204 129 K C -0.162 176.496 176.600 0.096 0.000 1.056 129 K CA 0.150 56.300 56.287 -0.229 0.000 1.069 129 K CB 0.719 32.974 32.500 -0.409 0.000 0.888 129 K HN 0.493 nan 8.250 nan 0.000 0.546 130 T N 1.398 115.922 114.554 -0.050 0.000 2.791 130 T HA 0.527 4.877 4.350 0.000 0.000 0.288 130 T C -0.937 173.597 174.700 -0.278 0.000 0.999 130 T CA -0.355 61.778 62.100 0.054 0.000 0.952 130 T CB 0.456 69.328 68.868 0.007 0.000 0.938 130 T HN -0.152 nan 8.240 nan 0.000 0.444 131 F N 2.408 122.490 119.950 0.220 0.000 2.460 131 F HA 0.565 5.092 4.527 0.000 0.000 0.341 131 F C -0.158 175.717 175.800 0.125 0.000 1.130 131 F CA -0.987 57.101 58.000 0.148 0.000 0.962 131 F CB 1.537 40.617 39.000 0.134 0.000 1.171 131 F HN 0.196 nan 8.300 nan 0.000 0.436 132 V N 2.599 122.623 119.914 0.184 0.000 2.459 132 V HA 0.695 4.815 4.120 0.000 0.000 0.295 132 V C 0.533 176.699 176.094 0.120 0.000 1.029 132 V CA -0.994 61.388 62.300 0.137 0.000 0.874 132 V CB 1.548 33.419 31.823 0.080 0.000 0.985 132 V HN 0.868 nan 8.190 nan 0.000 0.438 133 G N 2.487 111.348 108.800 0.102 0.000 2.569 133 G HA2 0.513 4.473 3.960 0.000 0.000 0.249 133 G HA3 0.513 4.473 3.960 0.000 0.000 0.249 133 G C 0.354 175.295 174.900 0.068 0.000 1.216 133 G CA 0.252 45.403 45.100 0.085 0.000 0.845 133 G HN 1.049 nan 8.290 nan 0.000 0.568 134 G N -0.578 108.257 108.800 0.059 0.000 2.535 134 G HA2 0.377 4.337 3.960 0.000 0.000 0.303 134 G HA3 0.377 4.337 3.960 0.000 0.000 0.303 134 G C 0.105 175.032 174.900 0.045 0.000 1.237 134 G CA -0.695 44.427 45.100 0.037 0.000 0.986 134 G HN 0.779 nan 8.290 nan 0.000 0.494 135 N N -1.325 117.393 118.700 0.030 0.000 2.407 135 N HA -0.025 4.715 4.740 0.000 0.000 0.250 135 N C 1.745 177.297 175.510 0.070 0.000 1.236 135 N CA 0.260 53.339 53.050 0.047 0.000 0.879 135 N CB 0.562 39.060 38.487 0.020 0.000 1.088 135 N HN 0.520 nan 8.380 nan 0.000 0.450 136 C N 0.495 119.863 119.300 0.115 0.000 2.413 136 C HA -0.145 4.315 4.460 0.000 0.000 0.277 136 C C 2.391 177.492 174.990 0.184 0.000 1.228 136 C CA 1.203 60.321 59.018 0.166 0.000 1.731 136 C CB -1.852 26.034 27.740 0.243 0.000 2.042 136 C HN 0.840 nan 8.230 nan 0.000 0.468 137 T N 1.523 116.174 114.554 0.162 0.000 2.720 137 T HA -0.136 4.214 4.350 0.000 0.000 0.268 137 T C 1.748 176.491 174.700 0.072 0.000 1.037 137 T CA 1.865 64.026 62.100 0.103 0.000 1.144 137 T CB -0.834 68.038 68.868 0.008 0.000 0.864 137 T HN 0.438 nan 8.240 nan 0.000 0.444 138 V N 1.344 121.272 119.914 0.023 0.000 2.358 138 V HA -0.138 3.982 4.120 0.000 0.000 0.246 138 V C 2.940 179.002 176.094 -0.053 0.000 1.047 138 V CA 1.835 64.113 62.300 -0.038 0.000 1.035 138 V CB -0.909 30.866 31.823 -0.080 0.000 0.658 138 V HN 0.549 nan 8.190 nan 0.000 0.452 139 S N -0.366 115.327 115.700 -0.012 0.000 2.368 139 S HA -0.138 4.332 4.470 0.000 0.000 0.225 139 S C 1.944 176.532 174.600 -0.021 0.000 1.030 139 S CA 1.610 59.803 58.200 -0.013 0.000 0.999 139 S CB -0.302 62.931 63.200 0.054 0.000 0.844 139 S HN 0.500 nan 8.310 nan 0.000 0.459 140 L N 0.883 122.130 121.223 0.040 0.000 2.093 140 L HA -0.054 4.286 4.340 0.000 0.000 0.208 140 L C 2.702 179.590 176.870 0.030 0.000 1.085 140 L CA 1.558 56.425 54.840 0.044 0.000 0.755 140 L CB -0.458 41.663 42.059 0.102 0.000 0.904 140 L HN 0.480 nan 8.230 nan 0.000 0.435 141 M N -0.156 119.484 119.600 0.067 0.000 2.117 141 M HA -0.218 4.262 4.480 0.000 0.000 0.262 141 M C 2.195 178.452 176.300 -0.073 0.000 1.065 141 M CA 1.820 57.192 55.300 0.121 0.000 1.114 141 M CB -0.011 32.655 32.600 0.110 0.000 1.361 141 M HN 0.201 nan 8.290 nan 0.000 0.408 142 L N -0.035 121.074 121.223 -0.191 0.000 2.093 142 L HA -0.197 4.143 4.340 0.000 0.000 0.208 142 L C 2.544 179.239 176.870 -0.292 0.000 1.085 142 L CA 0.764 55.413 54.840 -0.317 0.000 0.755 142 L CB -0.543 41.311 42.059 -0.342 0.000 0.904 142 L HN 0.392 nan 8.230 nan 0.000 0.435 143 M N -0.827 118.625 119.600 -0.247 0.000 2.394 143 M HA -0.082 4.399 4.480 0.000 0.000 0.264 143 M C 2.328 178.524 176.300 -0.174 0.000 1.073 143 M CA 1.400 56.527 55.300 -0.288 0.000 1.111 143 M CB -1.050 31.277 32.600 -0.455 0.000 1.401 143 M HN 0.279 nan 8.290 nan 0.000 0.448 144 A N 0.814 123.576 122.820 -0.097 0.000 1.850 144 A HA 0.046 4.366 4.320 0.000 0.000 0.212 144 A C 1.594 179.168 177.584 -0.015 0.000 1.208 144 A CA 0.709 52.741 52.037 -0.009 0.000 0.609 144 A CB -0.344 18.709 19.000 0.088 0.000 0.860 144 A HN 0.545 nan 8.150 nan 0.000 0.448 145 I N -3.012 117.546 120.570 -0.020 0.000 3.517 145 I HA 0.460 4.630 4.170 0.000 0.000 0.346 145 I C 1.176 177.281 176.117 -0.019 0.000 1.510 145 I CA 0.178 61.473 61.300 -0.009 0.000 1.090 145 I CB -0.061 37.947 38.000 0.013 0.000 1.506 145 I HN 0.098 nan 8.210 nan 0.000 0.477 146 G N 1.815 110.448 108.800 -0.278 0.000 2.418 146 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 146 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 146 G C 1.423 176.187 174.900 -0.226 0.000 1.158 146 G CA 0.951 45.717 45.100 -0.558 0.000 0.771 146 G HN 0.561 nan 8.290 nan 0.000 0.545 147 G N 1.353 110.084 108.800 -0.114 0.000 2.553 147 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 147 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 147 G C 1.793 176.708 174.900 0.025 0.000 1.195 147 G CA 0.974 46.119 45.100 0.076 0.000 0.779 147 G HN 0.425 nan 8.290 nan 0.000 0.577 148 L N -0.843 120.352 121.223 -0.047 0.000 2.089 148 L HA -0.155 4.185 4.340 0.000 0.000 0.213 148 L C 2.735 179.446 176.870 -0.266 0.000 1.079 148 L CA 1.208 55.934 54.840 -0.191 0.000 0.758 148 L CB -0.531 41.335 42.059 -0.322 0.000 0.891 148 L HN 0.179 nan 8.230 nan 0.000 0.433 149 F N -0.277 119.595 119.950 -0.130 0.000 2.512 149 F HA -0.089 4.438 4.527 0.000 0.000 0.296 149 F C 2.492 178.255 175.800 -0.062 0.000 1.110 149 F CA 0.800 58.732 58.000 -0.112 0.000 1.446 149 F CB -0.204 38.716 39.000 -0.134 0.000 1.092 149 F HN 0.030 nan 8.300 nan 0.000 0.554 150 E N 1.206 121.493 120.200 0.144 0.000 2.017 150 E HA -0.163 4.187 4.350 0.000 0.000 0.193 150 E C 1.826 178.449 176.600 0.038 0.000 0.997 150 E CA 1.548 58.017 56.400 0.114 0.000 0.804 150 E CB -0.145 29.654 29.700 0.166 0.000 0.757 150 E HN 0.027 nan 8.360 nan 0.000 0.448 151 K N 0.299 120.702 120.400 0.004 0.000 2.486 151 K HA -0.066 4.254 4.320 0.000 0.000 0.194 151 K C 0.009 176.575 176.600 -0.057 0.000 1.033 151 K CA 0.939 57.209 56.287 -0.028 0.000 1.004 151 K CB -0.085 32.391 32.500 -0.040 0.000 0.798 151 K HN 0.269 nan 8.250 nan 0.000 0.495 152 D N -0.284 120.073 120.400 -0.072 0.000 2.835 152 D HA -0.142 4.498 4.640 0.000 0.000 0.230 152 D C 0.023 176.229 176.300 -0.156 0.000 1.130 152 D CA 0.139 54.077 54.000 -0.102 0.000 0.738 152 D CB -0.849 39.913 40.800 -0.062 0.000 1.090 152 D HN 0.014 nan 8.370 nan 0.000 0.433 153 L N -0.488 120.610 121.223 -0.208 0.000 2.558 153 L HA 0.240 4.580 4.340 0.000 0.000 0.225 153 L C 0.747 177.423 176.870 -0.322 0.000 1.128 153 L CA 0.491 55.195 54.840 -0.228 0.000 0.868 153 L CB 0.073 42.009 42.059 -0.205 0.000 1.006 153 L HN 0.141 nan 8.230 nan 0.000 0.454 154 V N -0.068 119.580 119.914 -0.444 0.000 2.498 154 V HA 0.080 4.200 4.120 0.000 0.000 0.279 154 V C 1.315 177.188 176.094 -0.368 0.000 1.048 154 V CA -0.141 61.828 62.300 -0.551 0.000 0.967 154 V CB 1.568 32.795 31.823 -0.994 0.000 0.988 154 V HN 0.314 nan 8.190 nan 0.000 0.473 155 E N 4.781 124.772 120.200 -0.348 0.000 2.256 155 E HA 0.124 4.474 4.350 0.000 0.000 0.198 155 E C -0.039 176.565 176.600 0.006 0.000 0.908 155 E CA 0.231 56.536 56.400 -0.157 0.000 0.915 155 E CB 0.764 30.387 29.700 -0.128 0.000 0.890 155 E HN 0.779 nan 8.360 nan 0.000 0.484 156 W N -0.403 120.790 121.300 -0.179 0.000 3.057 156 W HA 0.492 5.152 4.660 0.000 0.000 0.328 156 W C -1.904 174.537 176.519 -0.129 0.000 1.232 156 W CA -0.855 56.411 57.345 -0.131 0.000 1.187 156 W CB 0.285 29.702 29.460 -0.072 0.000 1.417 156 W HN -0.265 nan 8.180 nan 0.000 0.569 157 I N 2.895 123.623 120.570 0.263 0.000 2.607 157 I HA 0.252 4.422 4.170 0.000 0.000 0.290 157 I C -0.107 176.217 176.117 0.343 0.000 1.129 157 I CA -0.756 60.608 61.300 0.106 0.000 1.042 157 I CB 2.537 40.484 38.000 -0.088 0.000 1.242 157 I HN 0.428 nan 8.210 nan 0.000 0.421 158 S N 5.741 121.679 115.700 0.396 0.000 2.437 158 S HA 0.811 5.281 4.470 0.000 0.000 0.305 158 S C -0.754 174.029 174.600 0.304 0.000 1.109 158 S CA -0.548 57.879 58.200 0.377 0.000 1.099 158 S CB 1.682 65.161 63.200 0.465 0.000 1.004 158 S HN 0.320 nan 8.310 nan 0.000 0.475 159 V N 1.985 122.056 119.914 0.262 0.000 2.769 159 V HA 0.894 5.014 4.120 0.000 0.000 0.312 159 V C -0.071 176.137 176.094 0.189 0.000 1.061 159 V CA -0.713 61.767 62.300 0.300 0.000 0.931 159 V CB 1.813 33.832 31.823 0.327 0.000 1.010 159 V HN 1.221 nan 8.190 nan 0.000 0.433 160 A N 2.273 125.196 122.820 0.171 0.000 2.353 160 A HA 0.819 5.139 4.320 0.000 0.000 0.299 160 A C -0.119 177.496 177.584 0.051 0.000 1.089 160 A CA -0.396 51.685 52.037 0.074 0.000 0.736 160 A CB 1.427 20.484 19.000 0.095 0.000 1.195 160 A HN 0.956 nan 8.150 nan 0.000 0.447 161 T N -0.933 113.587 114.554 -0.057 0.000 2.925 161 T HA 0.669 5.019 4.350 0.000 0.000 0.285 161 T C -0.959 173.628 174.700 -0.189 0.000 1.021 161 T CA -0.366 61.714 62.100 -0.032 0.000 1.042 161 T CB 0.850 69.676 68.868 -0.071 0.000 1.037 161 T HN 0.379 nan 8.240 nan 0.000 0.481 162 Y N 1.065 121.349 120.300 -0.025 0.000 2.919 162 Y HA 0.385 4.935 4.550 0.000 0.000 0.341 162 Y C 0.700 176.622 175.900 0.037 0.000 1.045 162 Y CA -0.998 57.123 58.100 0.035 0.000 1.218 162 Y CB 0.573 39.093 38.460 0.100 0.000 1.137 162 Y HN 0.616 nan 8.280 nan 0.000 0.577 163 Q N 1.561 121.403 119.800 0.069 0.000 2.259 163 Q HA 0.736 5.076 4.340 0.000 0.000 0.246 163 Q C -0.186 175.982 176.000 0.279 0.000 0.920 163 Q CA -0.773 55.077 55.803 0.077 0.000 0.895 163 Q CB 1.747 30.342 28.738 -0.238 0.000 1.220 163 Q HN 0.702 nan 8.270 nan 0.000 0.439 164 A N 0.962 124.093 122.820 0.519 0.000 2.293 164 A HA 0.552 4.872 4.320 0.000 0.000 0.302 164 A C 0.813 178.568 177.584 0.286 0.000 1.119 164 A CA 0.168 52.384 52.037 0.298 0.000 0.823 164 A CB 0.728 19.817 19.000 0.149 0.000 1.097 164 A HN 0.919 nan 8.150 nan 0.000 0.491 165 A N 1.052 124.016 122.820 0.240 0.000 1.940 165 A HA -0.120 4.201 4.320 0.000 0.000 0.219 165 A C 2.361 180.057 177.584 0.187 0.000 1.176 165 A CA 2.557 54.772 52.037 0.296 0.000 0.631 165 A CB -1.236 17.963 19.000 0.332 0.000 0.814 165 A HN 1.792 nan 8.150 nan 0.000 0.446 166 S N -0.344 115.427 115.700 0.118 0.000 2.440 166 S HA -0.046 4.424 4.470 0.000 0.000 0.240 166 S C 1.896 176.537 174.600 0.070 0.000 1.014 166 S CA 1.381 59.617 58.200 0.061 0.000 0.980 166 S CB -1.120 62.088 63.200 0.013 0.000 0.775 166 S HN 0.742 nan 8.310 nan 0.000 0.499 167 G N 1.044 109.924 108.800 0.132 0.000 2.432 167 G HA2 0.147 4.107 3.960 0.000 0.000 0.219 167 G HA3 0.147 4.107 3.960 0.000 0.000 0.219 167 G C 1.486 176.462 174.900 0.126 0.000 1.135 167 G CA 0.641 45.845 45.100 0.173 0.000 0.767 167 G HN 0.814 nan 8.290 nan 0.000 0.550 168 A N -0.874 122.012 122.820 0.109 0.000 2.095 168 A HA 0.597 4.917 4.320 0.000 0.000 0.212 168 A C 1.218 178.801 177.584 -0.001 0.000 1.162 168 A CA 1.395 53.461 52.037 0.048 0.000 0.753 168 A CB 0.035 19.045 19.000 0.017 0.000 0.840 168 A HN 1.641 nan 8.150 nan 0.000 0.468 169 G N -3.253 105.549 108.800 0.003 0.000 2.339 169 G HA2 0.448 4.409 3.960 0.000 0.000 0.381 169 G HA3 0.448 4.409 3.960 0.000 0.000 0.381 169 G C 0.576 175.462 174.900 -0.024 0.000 1.400 169 G CA -0.115 44.975 45.100 -0.017 0.000 1.002 169 G HN 1.004 nan 8.290 nan 0.000 0.633 170 A N 0.050 122.855 122.820 -0.024 0.000 1.908 170 A HA 0.001 4.322 4.320 0.000 0.000 0.218 170 A C 2.158 179.723 177.584 -0.032 0.000 1.181 170 A CA 2.325 54.350 52.037 -0.021 0.000 0.627 170 A CB -0.459 18.527 19.000 -0.023 0.000 0.818 170 A HN 0.676 nan 8.150 nan 0.000 0.445 171 K N -0.479 119.888 120.400 -0.056 0.000 2.283 171 K HA -0.120 4.200 4.320 0.000 0.000 0.202 171 K C 1.500 178.037 176.600 -0.106 0.000 1.048 171 K CA 1.429 57.673 56.287 -0.071 0.000 0.948 171 K CB -0.251 32.200 32.500 -0.082 0.000 0.742 171 K HN 0.549 nan 8.250 nan 0.000 0.458 172 N N 0.747 119.355 118.700 -0.152 0.000 2.250 172 N HA -0.038 4.702 4.740 0.000 0.000 0.181 172 N C 1.650 177.190 175.510 0.051 0.000 1.017 172 N CA 1.064 53.954 53.050 -0.268 0.000 0.866 172 N CB -0.012 38.246 38.487 -0.381 0.000 0.985 172 N HN 0.086 nan 8.380 nan 0.000 0.429 173 M N 0.207 119.846 119.600 0.065 0.000 2.132 173 M HA -0.057 4.423 4.480 0.000 0.000 0.263 173 M C 1.826 178.177 176.300 0.084 0.000 1.065 173 M CA 1.398 56.761 55.300 0.105 0.000 1.122 173 M CB -0.139 32.498 32.600 0.061 0.000 1.365 173 M HN 0.080 nan 8.290 nan 0.000 0.411 174 R N -0.068 120.457 120.500 0.041 0.000 2.115 174 R HA -0.138 4.202 4.340 0.000 0.000 0.230 174 R C 2.085 178.406 176.300 0.036 0.000 1.111 174 R CA 1.318 57.433 56.100 0.026 0.000 0.976 174 R CB -0.310 29.990 30.300 0.000 0.000 0.870 174 R HN 0.473 nan 8.270 nan 0.000 0.445 175 E N 0.897 121.132 120.200 0.059 0.000 2.072 175 E HA -0.170 4.180 4.350 0.000 0.000 0.190 175 E C 1.883 178.558 176.600 0.126 0.000 0.982 175 E CA 0.620 57.068 56.400 0.079 0.000 0.803 175 E CB 0.052 29.814 29.700 0.103 0.000 0.755 175 E HN 0.125 nan 8.360 nan 0.000 0.453 176 L N 0.949 122.316 121.223 0.240 0.000 2.012 176 L HA -0.168 4.172 4.340 0.000 0.000 0.210 176 L C 2.032 178.939 176.870 0.062 0.000 1.073 176 L CA 1.682 56.605 54.840 0.139 0.000 0.748 176 L CB -0.545 41.608 42.059 0.156 0.000 0.891 176 L HN 0.235 nan 8.230 nan 0.000 0.431 177 L N -1.031 120.230 121.223 0.063 0.000 2.046 177 L HA -0.197 4.143 4.340 0.000 0.000 0.208 177 L C 2.530 179.414 176.870 0.024 0.000 1.077 177 L CA 1.424 56.289 54.840 0.041 0.000 0.747 177 L CB -0.728 41.353 42.059 0.038 0.000 0.896 177 L HN 0.249 nan 8.230 nan 0.000 0.432 178 S N -0.839 114.864 115.700 0.005 0.000 2.368 178 S HA -0.232 4.238 4.470 0.000 0.000 0.225 178 S C 1.958 176.529 174.600 -0.049 0.000 1.030 178 S CA 1.205 59.391 58.200 -0.023 0.000 0.999 178 S CB -0.153 63.017 63.200 -0.050 0.000 0.844 178 S HN 0.423 nan 8.310 nan 0.000 0.459 179 Q N 0.350 120.092 119.800 -0.096 0.000 2.050 179 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 179 Q C 2.282 178.357 176.000 0.125 0.000 0.980 179 Q CA 1.385 57.109 55.803 -0.133 0.000 0.840 179 Q CB -0.238 28.405 28.738 -0.158 0.000 0.898 179 Q HN 0.534 nan 8.270 nan 0.000 0.424 180 M N -0.480 119.172 119.600 0.085 0.000 2.108 180 M HA -0.154 4.327 4.480 0.000 0.000 0.261 180 M C 2.212 178.568 176.300 0.093 0.000 1.066 180 M CA 1.614 56.971 55.300 0.094 0.000 1.107 180 M CB -0.636 32.000 32.600 0.061 0.000 1.356 180 M HN 0.359 nan 8.290 nan 0.000 0.406 181 G N 0.686 109.529 108.800 0.072 0.000 2.480 181 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 181 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 181 G C 1.461 176.416 174.900 0.091 0.000 1.200 181 G CA 0.732 45.871 45.100 0.065 0.000 0.782 181 G HN 0.358 nan 8.290 nan 0.000 0.554 182 L N 0.076 121.377 121.223 0.129 0.000 2.127 182 L HA -0.033 4.307 4.340 0.000 0.000 0.211 182 L C 2.899 179.880 176.870 0.184 0.000 1.089 182 L CA 0.443 55.392 54.840 0.181 0.000 0.757 182 L CB -0.361 41.868 42.059 0.284 0.000 0.899 182 L HN 0.190 nan 8.230 nan 0.000 0.434 183 L N -0.638 120.710 121.223 0.209 0.000 2.093 183 L HA -0.174 4.166 4.340 0.000 0.000 0.208 183 L C 2.785 179.690 176.870 0.058 0.000 1.085 183 L CA 1.082 55.990 54.840 0.112 0.000 0.755 183 L CB -0.502 41.629 42.059 0.120 0.000 0.904 183 L HN 0.340 nan 8.230 nan 0.000 0.435 184 E N 0.562 120.799 120.200 0.063 0.000 2.076 184 E HA -0.211 4.139 4.350 0.000 0.000 0.190 184 E C 2.032 178.653 176.600 0.036 0.000 0.979 184 E CA 1.146 57.570 56.400 0.040 0.000 0.807 184 E CB 0.013 29.736 29.700 0.039 0.000 0.761 184 E HN 0.503 nan 8.360 nan 0.000 0.454 185 Q N -0.073 119.754 119.800 0.045 0.000 2.308 185 Q HA -0.117 4.223 4.340 0.000 0.000 0.209 185 Q C 1.908 177.927 176.000 0.032 0.000 0.985 185 Q CA 1.405 57.232 55.803 0.039 0.000 0.881 185 Q CB -0.174 28.593 28.738 0.048 0.000 0.917 185 Q HN 0.297 nan 8.270 nan 0.000 0.443 186 A N 0.241 123.079 122.820 0.031 0.000 2.119 186 A HA 0.001 4.321 4.320 0.000 0.000 0.216 186 A C 1.524 179.111 177.584 0.006 0.000 1.152 186 A CA 1.088 53.134 52.037 0.015 0.000 0.708 186 A CB 0.269 19.270 19.000 0.001 0.000 0.805 186 A HN 0.271 nan 8.150 nan 0.000 0.460 187 V N -4.538 115.381 119.914 0.008 0.000 3.070 187 V HA 0.315 4.435 4.120 0.000 0.000 0.355 187 V C 1.141 177.240 176.094 0.008 0.000 1.400 187 V CA 0.470 62.773 62.300 0.005 0.000 1.170 187 V CB -0.614 31.210 31.823 0.000 0.000 1.169 187 V HN 0.169 nan 8.190 nan 0.000 0.554 188 S N 2.515 118.223 115.700 0.012 0.000 2.370 188 S HA -0.193 4.277 4.470 0.000 0.000 0.226 188 S C 2.214 176.820 174.600 0.010 0.000 1.033 188 S CA 2.661 60.869 58.200 0.013 0.000 1.011 188 S CB -0.095 63.115 63.200 0.016 0.000 0.852 188 S HN 1.055 nan 8.310 nan 0.000 0.457 189 S N 0.789 116.494 115.700 0.008 0.000 2.362 189 S HA 0.007 4.477 4.470 0.000 0.000 0.221 189 S C 1.633 176.236 174.600 0.005 0.000 1.032 189 S CA 0.973 59.177 58.200 0.007 0.000 0.973 189 S CB -0.655 62.548 63.200 0.006 0.000 0.849 189 S HN 0.479 nan 8.310 nan 0.000 0.465 190 E N 1.833 122.035 120.200 0.004 0.000 2.153 190 E HA 0.064 4.414 4.350 0.000 0.000 0.194 190 E C 1.917 178.519 176.600 0.003 0.000 0.988 190 E CA 0.815 57.217 56.400 0.003 0.000 0.811 190 E CB -0.543 29.157 29.700 0.001 0.000 0.746 190 E HN 0.485 nan 8.360 nan 0.000 0.466 191 L N 0.316 121.542 121.223 0.005 0.000 2.201 191 L HA -0.128 4.212 4.340 0.000 0.000 0.212 191 L C 1.894 178.768 176.870 0.006 0.000 1.105 191 L CA 1.051 55.894 54.840 0.005 0.000 0.775 191 L CB -0.139 41.924 42.059 0.008 0.000 0.913 191 L HN 0.076 nan 8.230 nan 0.000 0.440 192 K N -0.647 119.756 120.400 0.006 0.000 2.296 192 K HA -0.082 4.238 4.320 0.000 0.000 0.200 192 K C 0.410 177.013 176.600 0.004 0.000 1.048 192 K CA 0.293 56.583 56.287 0.006 0.000 0.966 192 K CB -0.010 32.494 32.500 0.006 0.000 0.754 192 K HN 0.061 nan 8.250 nan 0.000 0.466 193 D N 1.630 122.032 120.400 0.004 0.000 2.393 193 D HA 0.037 4.677 4.640 0.000 0.000 0.232 193 D C -1.568 174.734 176.300 0.002 0.000 1.192 193 D CA -2.494 51.508 54.000 0.003 0.000 0.882 193 D CB 1.175 41.977 40.800 0.002 0.000 1.038 193 D HN -0.077 nan 8.370 nan 0.000 0.499 194 P HA -0.145 nan 4.420 nan 0.000 0.224 194 P C 0.484 177.785 177.300 0.001 0.000 1.142 194 P CA 0.696 63.797 63.100 0.002 0.000 0.778 194 P CB 0.292 31.993 31.700 0.002 0.000 0.764 195 A N -0.531 122.290 122.820 0.001 0.000 2.470 195 A HA 0.265 4.585 4.320 0.000 0.000 0.251 195 A C 1.006 178.590 177.584 0.000 0.000 1.245 195 A CA -0.043 51.994 52.037 0.001 0.000 0.932 195 A CB -0.340 18.660 19.000 0.001 0.000 1.037 195 A HN 0.296 nan 8.150 nan 0.000 0.522 196 S N -0.010 115.690 115.700 0.000 0.000 2.585 196 S HA 0.348 4.818 4.470 0.000 0.000 0.273 196 S C 0.492 175.092 174.600 -0.001 0.000 1.339 196 S CA 0.180 58.380 58.200 -0.000 0.000 1.028 196 S CB 0.919 64.119 63.200 0.000 0.000 0.906 196 S HN 0.495 nan 8.310 nan 0.000 0.528 197 S N 1.117 116.816 115.700 -0.002 0.000 2.515 197 S HA 0.038 4.508 4.470 0.000 0.000 0.285 197 S C 0.960 175.558 174.600 -0.003 0.000 1.265 197 S CA -0.672 57.527 58.200 -0.003 0.000 1.079 197 S CB -0.551 62.647 63.200 -0.003 0.000 0.877 197 S HN 0.703 nan 8.310 nan 0.000 0.493 198 I N 6.173 126.742 120.570 -0.003 0.000 2.315 198 I HA -0.038 4.132 4.170 0.000 0.000 0.248 198 I C 1.657 177.771 176.117 -0.006 0.000 1.117 198 I CA 1.372 62.670 61.300 -0.004 0.000 1.404 198 I CB -0.280 37.719 38.000 -0.003 0.000 1.071 198 I HN 0.696 nan 8.210 nan 0.000 0.419 199 L N 0.435 121.654 121.223 -0.006 0.000 2.083 199 L HA -0.209 4.131 4.340 0.000 0.000 0.209 199 L C 2.144 179.008 176.870 -0.010 0.000 1.083 199 L CA 2.047 56.882 54.840 -0.008 0.000 0.752 199 L CB -1.190 40.865 42.059 -0.006 0.000 0.899 199 L HN 0.373 nan 8.230 nan 0.000 0.433 200 D N -0.653 119.742 120.400 -0.008 0.000 2.097 200 D HA -0.180 4.460 4.640 0.000 0.000 0.197 200 D C 2.292 178.585 176.300 -0.012 0.000 0.984 200 D CA 1.137 55.131 54.000 -0.010 0.000 0.826 200 D CB -0.006 40.790 40.800 -0.007 0.000 0.973 200 D HN 0.320 nan 8.370 nan 0.000 0.460 201 I N 0.360 120.924 120.570 -0.010 0.000 2.163 201 I HA -0.280 3.890 4.170 0.000 0.000 0.243 201 I C 2.256 178.363 176.117 -0.016 0.000 1.085 201 I CA 1.743 63.037 61.300 -0.010 0.000 1.347 201 I CB -0.418 37.578 38.000 -0.006 0.000 1.044 201 I HN 0.204 nan 8.210 nan 0.000 0.408 202 E N 1.172 121.362 120.200 -0.016 0.000 2.208 202 E HA -0.228 4.122 4.350 0.000 0.000 0.193 202 E C 2.112 178.694 176.600 -0.030 0.000 0.988 202 E CA 0.906 57.292 56.400 -0.022 0.000 0.828 202 E CB -0.479 29.210 29.700 -0.017 0.000 0.763 202 E HN 0.294 nan 8.360 nan 0.000 0.478 203 R N 0.855 121.340 120.500 -0.025 0.000 2.091 203 R HA -0.101 4.239 4.340 0.000 0.000 0.238 203 R C 1.951 178.229 176.300 -0.038 0.000 1.136 203 R CA 1.885 57.968 56.100 -0.028 0.000 0.959 203 R CB -0.013 30.274 30.300 -0.021 0.000 0.856 203 R HN 0.164 nan 8.270 nan 0.000 0.437 204 K N -0.466 119.913 120.400 -0.034 0.000 2.031 204 K HA -0.052 4.269 4.320 0.000 0.000 0.205 204 K C 2.021 178.584 176.600 -0.061 0.000 1.049 204 K CA 1.354 57.617 56.287 -0.039 0.000 0.939 204 K CB 0.012 32.497 32.500 -0.026 0.000 0.717 204 K HN 0.028 nan 8.250 nan 0.000 0.438 205 V N 1.524 121.403 119.914 -0.059 0.000 2.343 205 V HA -0.240 3.880 4.120 0.000 0.000 0.247 205 V C 2.123 178.134 176.094 -0.138 0.000 1.051 205 V CA 2.101 64.351 62.300 -0.083 0.000 1.036 205 V CB -0.726 31.065 31.823 -0.053 0.000 0.654 205 V HN 0.390 nan 8.190 nan 0.000 0.451 206 T N 0.315 114.805 114.554 -0.107 0.000 2.833 206 T HA -0.120 4.230 4.350 0.000 0.000 0.269 206 T C 2.062 176.673 174.700 -0.147 0.000 1.054 206 T CA 1.456 63.483 62.100 -0.121 0.000 1.135 206 T CB -0.373 68.450 68.868 -0.074 0.000 0.869 206 T HN 0.579 nan 8.240 nan 0.000 0.466 207 A N 1.862 124.611 122.820 -0.118 0.000 1.858 207 A HA -0.113 4.207 4.320 0.000 0.000 0.216 207 A C 2.213 179.702 177.584 -0.157 0.000 1.190 207 A CA 1.962 53.935 52.037 -0.107 0.000 0.617 207 A CB -0.529 18.429 19.000 -0.069 0.000 0.827 207 A HN 0.344 nan 8.150 nan 0.000 0.443 208 K N -0.247 120.038 120.400 -0.192 0.000 2.097 208 K HA -0.062 4.258 4.320 0.000 0.000 0.206 208 K C 1.999 178.215 176.600 -0.641 0.000 1.049 208 K CA 1.927 58.064 56.287 -0.251 0.000 0.933 208 K CB -0.479 31.920 32.500 -0.168 0.000 0.717 208 K HN 0.502 nan 8.250 nan 0.000 0.442 209 M N -0.196 118.914 119.600 -0.816 0.000 2.213 209 M HA -0.161 4.319 4.480 0.000 0.000 0.263 209 M C 1.397 177.309 176.300 -0.647 0.000 1.062 209 M CA 1.674 56.199 55.300 -1.292 0.000 1.105 209 M CB 0.083 32.321 32.600 -0.603 0.000 1.385 209 M HN 0.034 nan 8.290 nan 0.000 0.417 210 R N 0.046 120.357 120.500 -0.315 0.000 2.317 210 R HA 0.293 4.633 4.340 0.000 0.000 0.208 210 R C 0.478 176.750 176.300 -0.047 0.000 0.914 210 R CA 0.011 56.041 56.100 -0.117 0.000 1.060 210 R CB 0.083 30.332 30.300 -0.085 0.000 1.015 210 R HN 0.313 nan 8.270 nan 0.000 0.498 211 A N 0.843 123.628 122.820 -0.057 0.000 2.332 211 A HA 0.050 4.370 4.320 0.000 0.000 0.258 211 A C 0.331 177.971 177.584 0.094 0.000 1.087 211 A CA -0.404 51.645 52.037 0.020 0.000 0.802 211 A CB 0.393 19.403 19.000 0.017 0.000 1.042 211 A HN 0.016 nan 8.150 nan 0.000 0.489 212 D N 0.363 120.806 120.400 0.072 0.000 2.178 212 D HA -0.145 4.495 4.640 0.000 0.000 0.201 212 D C 1.371 177.728 176.300 0.095 0.000 0.980 212 D CA 1.869 55.914 54.000 0.076 0.000 0.842 212 D CB -0.073 40.756 40.800 0.047 0.000 0.948 212 D HN 0.724 nan 8.370 nan 0.000 0.472 213 N N -0.100 118.664 118.700 0.107 0.000 2.467 213 N HA -0.117 4.623 4.740 0.000 0.000 0.184 213 N C 0.253 175.854 175.510 0.152 0.000 1.106 213 N CA -0.205 52.907 53.050 0.103 0.000 0.892 213 N CB -0.782 37.755 38.487 0.083 0.000 0.969 213 N HN 0.015 nan 8.380 nan 0.000 0.454 214 F N 4.563 124.526 119.950 0.021 0.000 2.519 214 F HA 0.205 4.732 4.527 0.000 0.000 0.375 214 F C -1.816 174.005 175.800 0.036 0.000 1.084 214 F CA -2.837 55.179 58.000 0.026 0.000 1.147 214 F CB 0.187 39.201 39.000 0.023 0.000 1.088 214 F HN -0.004 nan 8.300 nan 0.000 0.555 215 P HA 0.024 nan 4.420 nan 0.000 0.264 215 P C -0.033 177.154 177.300 -0.188 0.000 1.229 215 P CA 0.210 63.194 63.100 -0.195 0.000 0.780 215 P CB 0.400 31.988 31.700 -0.187 0.000 0.808 216 T N -1.805 112.728 114.554 -0.035 0.000 3.262 216 T HA 0.088 4.438 4.350 0.000 0.000 0.300 216 T C 0.763 175.502 174.700 0.065 0.000 0.959 216 T CA -0.260 61.873 62.100 0.055 0.000 0.936 216 T CB -0.353 68.579 68.868 0.107 0.000 1.169 216 T HN 0.087 nan 8.240 nan 0.000 0.532 217 D N 2.300 122.710 120.400 0.017 0.000 2.149 217 D HA -0.121 4.519 4.640 0.000 0.000 0.198 217 D C 1.640 177.923 176.300 -0.027 0.000 0.990 217 D CA 0.956 54.956 54.000 -0.001 0.000 0.839 217 D CB 0.040 40.830 40.800 -0.016 0.000 0.948 217 D HN 0.448 nan 8.370 nan 0.000 0.460 218 N N -0.295 118.361 118.700 -0.073 0.000 2.300 218 N HA -0.037 4.703 4.740 0.000 0.000 0.179 218 N C 1.516 176.843 175.510 -0.304 0.000 1.016 218 N CA 0.529 53.446 53.050 -0.220 0.000 0.876 218 N CB -0.027 38.247 38.487 -0.355 0.000 0.979 218 N HN 0.227 nan 8.380 nan 0.000 0.432 219 F N -0.295 119.661 119.950 0.011 0.000 2.622 219 F HA 0.265 4.792 4.527 0.000 0.000 0.288 219 F C 1.758 177.575 175.800 0.028 0.000 1.120 219 F CA 0.334 58.351 58.000 0.029 0.000 1.423 219 F CB 0.288 39.308 39.000 0.034 0.000 1.127 219 F HN 0.016 nan 8.300 nan 0.000 0.588 220 G N 0.864 109.772 108.800 0.180 0.000 2.136 220 G HA2 0.055 4.015 3.960 0.000 0.000 0.242 220 G HA3 0.055 4.015 3.960 0.000 0.000 0.242 220 G C 0.016 174.982 174.900 0.109 0.000 0.989 220 G CA 0.022 45.185 45.100 0.105 0.000 0.682 220 G HN 0.923 nan 8.290 nan 0.000 0.522 221 A N -1.869 121.045 122.820 0.157 0.000 2.489 221 A HA 0.942 5.262 4.320 0.000 0.000 0.293 221 A C 0.015 177.681 177.584 0.138 0.000 1.004 221 A CA 0.271 52.383 52.037 0.125 0.000 0.626 221 A CB -0.254 18.799 19.000 0.088 0.000 1.345 221 A HN 2.149 nan 8.150 nan 0.000 0.447 222 A N -0.356 122.547 122.820 0.139 0.000 2.440 222 A HA 0.524 4.844 4.320 0.000 0.000 0.251 222 A C 0.648 178.231 177.584 -0.001 0.000 1.089 222 A CA 0.635 52.776 52.037 0.174 0.000 0.779 222 A CB 0.236 19.389 19.000 0.255 0.000 1.022 222 A HN 2.031 nan 8.150 nan 0.000 0.492 223 L N 3.120 124.263 121.223 -0.133 0.000 2.515 223 L HA 0.383 4.723 4.340 0.000 0.000 0.202 223 L C 1.456 178.240 176.870 -0.143 0.000 1.056 223 L CA 1.403 56.046 54.840 -0.328 0.000 0.847 223 L CB -0.579 40.908 42.059 -0.954 0.000 1.131 223 L HN 0.727 nan 8.230 nan 0.000 0.484 224 G N -0.531 108.237 108.800 -0.053 0.000 2.340 224 G HA2 0.366 4.326 3.960 0.000 0.000 0.245 224 G HA3 0.366 4.326 3.960 0.000 0.000 0.245 224 G C 0.963 175.910 174.900 0.078 0.000 1.294 224 G CA 0.215 45.337 45.100 0.036 0.000 0.896 224 G HN 1.015 nan 8.290 nan 0.000 0.522 225 G N 0.477 109.305 108.800 0.046 0.000 2.168 225 G HA2 -0.197 3.763 3.960 0.000 0.000 0.263 225 G HA3 -0.197 3.763 3.960 0.000 0.000 0.263 225 G C 0.636 175.548 174.900 0.020 0.000 0.977 225 G CA 1.190 46.311 45.100 0.035 0.000 0.659 225 G HN 1.390 nan 8.290 nan 0.000 0.533 226 S N -1.740 113.967 115.700 0.011 0.000 3.359 226 S HA 0.922 5.392 4.470 0.000 0.000 0.323 226 S C -1.475 173.117 174.600 -0.014 0.000 1.143 226 S CA 0.402 58.603 58.200 0.002 0.000 0.989 226 S CB 0.999 64.204 63.200 0.008 0.000 1.375 226 S HN 1.778 nan 8.310 nan 0.000 0.728 227 L N -0.320 120.892 121.223 -0.018 0.000 2.724 227 L HA 0.694 5.034 4.340 0.000 0.000 0.258 227 L C -1.790 175.076 176.870 -0.006 0.000 0.967 227 L CA -0.579 54.247 54.840 -0.024 0.000 0.891 227 L CB 0.921 42.972 42.059 -0.013 0.000 1.456 227 L HN 0.568 nan 8.230 nan 0.000 0.416 228 I N 2.272 122.845 120.570 0.006 0.000 2.448 228 I HA 0.422 4.592 4.170 0.000 0.000 0.281 228 I C -2.088 174.087 176.117 0.096 0.000 1.027 228 I CA -1.216 60.123 61.300 0.064 0.000 1.111 228 I CB 2.467 40.523 38.000 0.093 0.000 1.236 228 I HN 0.549 nan 8.210 nan 0.000 0.452 229 P HA 0.041 nan 4.420 nan 0.000 0.226 229 P C -0.923 176.521 177.300 0.241 0.000 1.758 229 P CA 0.175 63.346 63.100 0.117 0.000 0.896 229 P CB -0.196 31.559 31.700 0.090 0.000 1.784 230 W N 2.150 123.462 121.300 0.020 0.000 3.651 230 W HA 0.358 5.018 4.660 0.000 0.000 0.322 230 W C -2.382 174.166 176.519 0.048 0.000 1.132 230 W CA -0.607 56.758 57.345 0.033 0.000 1.277 230 W CB 0.994 30.475 29.460 0.036 0.000 1.249 230 W HN -0.213 nan 8.180 nan 0.000 0.448 231 I N 6.983 127.543 120.570 -0.017 0.000 2.466 231 I HA 0.262 4.432 4.170 0.000 0.000 0.289 231 I C 0.436 176.564 176.117 0.017 0.000 1.026 231 I CA -0.239 61.109 61.300 0.080 0.000 1.078 231 I CB 1.823 39.842 38.000 0.031 0.000 1.249 231 I HN 0.418 nan 8.210 nan 0.000 0.429 232 D N 3.756 124.251 120.400 0.160 0.000 3.905 232 D HA -0.164 4.476 4.640 0.000 0.000 0.274 232 D C -0.567 175.873 176.300 0.234 0.000 2.034 232 D CA 0.685 54.772 54.000 0.146 0.000 1.180 232 D CB 0.254 41.098 40.800 0.074 0.000 0.918 232 D HN 0.335 nan 8.370 nan 0.000 1.125 233 K N 0.244 120.742 120.400 0.164 0.000 2.098 233 K HA 0.496 4.816 4.320 0.000 0.000 0.257 233 K C -0.028 176.660 176.600 0.148 0.000 0.999 233 K CA -0.588 55.825 56.287 0.209 0.000 0.924 233 K CB 0.442 33.013 32.500 0.119 0.000 1.028 233 K HN 0.395 nan 8.250 nan 0.000 0.466 234 L N 3.381 124.773 121.223 0.281 0.000 2.371 234 L HA 0.341 4.681 4.340 0.000 0.000 0.272 234 L C -1.062 175.844 176.870 0.060 0.000 1.124 234 L CA -0.225 54.738 54.840 0.205 0.000 0.816 234 L CB 0.295 42.658 42.059 0.506 0.000 1.129 234 L HN 0.537 nan 8.230 nan 0.000 0.448 235 L N 6.952 128.165 121.223 -0.017 0.000 2.356 235 L HA 0.297 4.637 4.340 0.000 0.000 0.264 235 L C -1.646 175.201 176.870 -0.040 0.000 1.029 235 L CA -1.538 53.261 54.840 -0.068 0.000 0.897 235 L CB 1.224 43.190 42.059 -0.156 0.000 1.256 235 L HN 0.429 nan 8.230 nan 0.000 0.444 236 P HA -0.258 nan 4.420 nan 0.000 0.218 236 P C 1.426 178.713 177.300 -0.022 0.000 1.150 236 P CA 1.216 64.316 63.100 -0.000 0.000 0.841 236 P CB 0.401 32.101 31.700 0.000 0.000 0.784 237 E N -0.453 119.716 120.200 -0.051 0.000 2.048 237 E HA -0.230 4.120 4.350 0.000 0.000 0.202 237 E C 1.204 177.777 176.600 -0.046 0.000 1.021 237 E CA 2.487 58.850 56.400 -0.061 0.000 0.825 237 E CB -0.312 29.325 29.700 -0.105 0.000 0.756 237 E HN 0.306 nan 8.360 nan 0.000 0.454 238 T N -4.510 110.016 114.554 -0.046 0.000 3.043 238 T HA 0.408 4.758 4.350 0.000 0.000 0.272 238 T C 1.181 175.873 174.700 -0.012 0.000 0.990 238 T CA 0.457 62.543 62.100 -0.023 0.000 0.897 238 T CB 1.013 69.875 68.868 -0.009 0.000 1.111 238 T HN 0.434 nan 8.240 nan 0.000 0.529 239 G N 1.375 110.166 108.800 -0.015 0.000 2.184 239 G HA2 -0.280 3.680 3.960 0.000 0.000 0.264 239 G HA3 -0.280 3.680 3.960 0.000 0.000 0.264 239 G C 0.020 174.891 174.900 -0.048 0.000 0.975 239 G CA 0.392 45.489 45.100 -0.006 0.000 0.642 239 G HN 0.687 nan 8.290 nan 0.000 0.536 240 Q N 0.333 120.100 119.800 -0.055 0.000 2.308 240 Q HA 0.574 4.914 4.340 0.000 0.000 0.207 240 Q C 0.813 176.696 176.000 -0.195 0.000 1.035 240 Q CA 0.341 56.090 55.803 -0.091 0.000 1.008 240 Q CB 0.558 29.308 28.738 0.020 0.000 1.168 240 Q HN 0.511 nan 8.270 nan 0.000 0.565 241 T N -2.990 111.407 114.554 -0.261 0.000 2.945 241 T HA 0.268 4.618 4.350 0.000 0.000 0.286 241 T C 0.629 175.277 174.700 -0.087 0.000 1.025 241 T CA -0.986 60.906 62.100 -0.347 0.000 1.039 241 T CB 1.472 69.964 68.868 -0.626 0.000 1.068 241 T HN 0.619 nan 8.240 nan 0.000 0.497 242 K N 0.047 120.431 120.400 -0.026 0.000 2.211 242 K HA -0.198 4.122 4.320 0.000 0.000 0.204 242 K C 1.948 178.665 176.600 0.195 0.000 1.047 242 K CA 1.545 57.901 56.287 0.116 0.000 0.935 242 K CB -0.062 32.488 32.500 0.083 0.000 0.728 242 K HN 0.731 nan 8.250 nan 0.000 0.452 243 E N 1.040 121.281 120.200 0.068 0.000 2.046 243 E HA -0.162 4.188 4.350 0.000 0.000 0.190 243 E C 1.399 178.026 176.600 0.046 0.000 0.982 243 E CA 1.708 58.138 56.400 0.051 0.000 0.800 243 E CB 0.086 29.782 29.700 -0.008 0.000 0.756 243 E HN 0.356 nan 8.360 nan 0.000 0.449 244 E N -0.750 119.462 120.200 0.021 0.000 2.150 244 E HA -0.157 4.193 4.350 0.000 0.000 0.193 244 E C 1.591 178.250 176.600 0.098 0.000 0.985 244 E CA 1.021 57.440 56.400 0.031 0.000 0.814 244 E CB -0.354 29.340 29.700 -0.009 0.000 0.752 244 E HN 0.414 nan 8.360 nan 0.000 0.466 245 W N 2.307 123.592 121.300 -0.025 0.000 2.355 245 W HA -0.175 4.485 4.660 0.000 0.000 0.309 245 W C 1.483 178.029 176.519 0.044 0.000 1.206 245 W CA 1.487 58.835 57.345 0.005 0.000 1.284 245 W CB -0.042 29.404 29.460 -0.022 0.000 1.145 245 W HN -0.184 nan 8.180 nan 0.000 0.502 246 K N -0.061 120.215 120.400 -0.206 0.000 2.293 246 K HA -0.167 4.153 4.320 0.000 0.000 0.204 246 K C 2.255 178.650 176.600 -0.341 0.000 1.045 246 K CA 1.283 57.299 56.287 -0.452 0.000 0.933 246 K CB -0.891 31.536 32.500 -0.122 0.000 0.736 246 K HN 0.401 nan 8.250 nan 0.000 0.463 247 G N 0.594 109.286 108.800 -0.180 0.000 2.446 247 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 247 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 247 G C 1.331 176.155 174.900 -0.127 0.000 1.168 247 G CA 0.822 45.857 45.100 -0.108 0.000 0.771 247 G HN 0.268 nan 8.290 nan 0.000 0.551 248 Y N 1.718 121.862 120.300 -0.260 0.000 2.153 248 Y HA 0.249 4.799 4.550 0.000 0.000 0.289 248 Y C 2.979 178.685 175.900 -0.323 0.000 1.119 248 Y CA 0.850 58.820 58.100 -0.217 0.000 1.116 248 Y CB -0.721 37.651 38.460 -0.146 0.000 1.004 248 Y HN 0.262 nan 8.280 nan 0.000 0.501 249 A N 0.551 123.174 122.820 -0.328 0.000 1.852 249 A HA -0.302 4.018 4.320 0.000 0.000 0.217 249 A C 2.110 179.517 177.584 -0.293 0.000 1.215 249 A CA 2.474 54.228 52.037 -0.470 0.000 0.641 249 A CB -1.104 17.049 19.000 -1.411 0.000 0.838 249 A HN 0.615 nan 8.150 nan 0.000 0.450 250 E N -1.268 118.718 120.200 -0.357 0.000 2.153 250 E HA -0.113 4.237 4.350 0.000 0.000 0.194 250 E C 2.137 178.635 176.600 -0.170 0.000 0.988 250 E CA 1.396 57.669 56.400 -0.211 0.000 0.811 250 E CB -0.336 29.254 29.700 -0.184 0.000 0.746 250 E HN 0.659 nan 8.360 nan 0.000 0.466 251 T N 1.445 115.880 114.554 -0.198 0.000 2.684 251 T HA -0.133 4.217 4.350 0.000 0.000 0.267 251 T C 1.591 176.168 174.700 -0.205 0.000 1.036 251 T CA 1.208 63.169 62.100 -0.232 0.000 1.148 251 T CB -0.193 68.515 68.868 -0.268 0.000 0.863 251 T HN 0.153 nan 8.240 nan 0.000 0.436 252 N N 0.848 119.453 118.700 -0.159 0.000 2.216 252 N HA -0.043 4.697 4.740 0.000 0.000 0.183 252 N C 1.862 177.335 175.510 -0.062 0.000 1.017 252 N CA 0.834 53.825 53.050 -0.099 0.000 0.861 252 N CB -0.205 38.248 38.487 -0.057 0.000 0.986 252 N HN 0.420 nan 8.380 nan 0.000 0.428 253 K N 1.176 121.540 120.400 -0.060 0.000 2.211 253 K HA 0.041 4.361 4.320 0.000 0.000 0.203 253 K C 1.902 178.479 176.600 -0.038 0.000 1.050 253 K CA 0.588 56.853 56.287 -0.036 0.000 0.945 253 K CB 0.034 32.513 32.500 -0.035 0.000 0.732 253 K HN 0.090 nan 8.250 nan 0.000 0.451 254 I N 0.693 121.224 120.570 -0.065 0.000 2.406 254 I HA -0.194 3.976 4.170 0.000 0.000 0.249 254 I C 1.507 177.594 176.117 -0.049 0.000 1.122 254 I CA 0.837 62.103 61.300 -0.056 0.000 1.431 254 I CB 0.080 38.024 38.000 -0.094 0.000 1.087 254 I HN 0.144 nan 8.210 nan 0.000 0.424 255 L N 0.434 121.614 121.223 -0.073 0.000 2.591 255 L HA 0.224 4.564 4.340 0.000 0.000 0.228 255 L C 1.588 178.448 176.870 -0.016 0.000 1.133 255 L CA 0.354 55.163 54.840 -0.051 0.000 0.880 255 L CB -0.446 41.568 42.059 -0.075 0.000 1.033 255 L HN 0.438 nan 8.230 nan 0.000 0.450 256 G N 0.963 109.757 108.800 -0.009 0.000 2.180 256 G HA2 -0.314 3.646 3.960 0.000 0.000 0.263 256 G HA3 -0.314 3.646 3.960 0.000 0.000 0.263 256 G C 0.557 175.461 174.900 0.007 0.000 0.989 256 G CA 0.337 45.440 45.100 0.006 0.000 0.692 256 G HN 0.394 nan 8.290 nan 0.000 0.526 257 L N 0.924 122.148 121.223 0.002 0.000 3.001 257 L HA 0.255 4.595 4.340 0.000 0.000 0.234 257 L C 1.756 178.640 176.870 0.024 0.000 1.321 257 L CA 0.115 54.961 54.840 0.010 0.000 1.138 257 L CB 0.421 42.484 42.059 0.008 0.000 1.503 257 L HN 0.154 nan 8.230 nan 0.000 0.487 258 S N -0.384 115.333 115.700 0.030 0.000 2.555 258 S HA -0.071 4.399 4.470 0.000 0.000 0.230 258 S C 1.176 175.812 174.600 0.060 0.000 0.978 258 S CA 0.678 58.909 58.200 0.052 0.000 0.934 258 S CB 0.004 63.230 63.200 0.043 0.000 0.766 258 S HN 0.509 nan 8.310 nan 0.000 0.533 259 D N 1.360 121.787 120.400 0.045 0.000 2.324 259 D HA 0.091 4.731 4.640 0.000 0.000 0.212 259 D C -0.058 176.270 176.300 0.047 0.000 0.984 259 D CA 0.558 54.583 54.000 0.043 0.000 0.885 259 D CB -0.060 40.758 40.800 0.030 0.000 0.996 259 D HN 0.275 nan 8.370 nan 0.000 0.505 260 N N 1.290 120.015 118.700 0.042 0.000 2.914 260 N HA 0.222 4.962 4.740 0.000 0.000 0.304 260 N C -2.729 172.808 175.510 0.044 0.000 1.727 260 N CA -1.036 52.038 53.050 0.040 0.000 0.986 260 N CB 1.266 39.766 38.487 0.022 0.000 1.297 260 N HN -0.087 nan 8.380 nan 0.000 0.490 261 P HA -0.004 nan 4.420 nan 0.000 0.257 261 P C -0.184 177.109 177.300 -0.012 0.000 1.189 261 P CA 0.375 63.533 63.100 0.096 0.000 0.780 261 P CB 0.342 32.239 31.700 0.328 0.000 0.772 262 I N 6.795 127.279 120.570 -0.144 0.000 2.416 262 I HA 0.160 4.330 4.170 0.000 0.000 0.288 262 I C -1.944 173.915 176.117 -0.430 0.000 1.051 262 I CA -2.426 58.780 61.300 -0.156 0.000 1.375 262 I CB 1.020 38.989 38.000 -0.052 0.000 1.407 262 I HN 0.099 nan 8.210 nan 0.000 0.516 263 P HA 0.114 nan 4.420 nan 0.000 0.271 263 P C -0.919 176.323 177.300 -0.097 0.000 1.233 263 P CA 0.065 63.039 63.100 -0.210 0.000 0.764 263 P CB 0.633 32.414 31.700 0.136 0.000 0.825 264 V N 4.645 124.449 119.914 -0.183 0.000 2.482 264 V HA 0.515 4.636 4.120 0.000 0.000 0.295 264 V C -0.414 175.733 176.094 0.088 0.000 1.026 264 V CA -0.127 62.158 62.300 -0.024 0.000 0.856 264 V CB 1.937 33.694 31.823 -0.110 0.000 1.001 264 V HN 0.469 nan 8.190 nan 0.000 0.424 265 D N 2.122 122.606 120.400 0.139 0.000 2.653 265 D HA 0.818 5.458 4.640 0.000 0.000 0.258 265 D C -0.041 176.341 176.300 0.137 0.000 1.252 265 D CA 0.796 54.880 54.000 0.141 0.000 0.777 265 D CB 2.521 43.415 40.800 0.157 0.000 1.339 265 D HN 0.844 nan 8.370 nan 0.000 0.422 266 G N -0.367 108.494 108.800 0.102 0.000 2.404 266 G HA2 0.344 4.304 3.960 0.000 0.000 0.253 266 G HA3 0.344 4.304 3.960 0.000 0.000 0.253 266 G C -1.859 173.069 174.900 0.047 0.000 1.253 266 G CA -0.661 44.495 45.100 0.094 0.000 0.917 266 G HN 0.466 nan 8.290 nan 0.000 0.480 267 L N -0.129 121.115 121.223 0.034 0.000 2.365 267 L HA 0.610 4.950 4.340 0.000 0.000 0.273 267 L C -0.524 176.325 176.870 -0.034 0.000 1.000 267 L CA -0.850 53.984 54.840 -0.010 0.000 0.819 267 L CB 2.223 44.277 42.059 -0.009 0.000 1.284 267 L HN 0.583 nan 8.230 nan 0.000 0.418 268 C N 3.011 122.274 119.300 -0.061 0.000 2.303 268 C HA 0.712 5.172 4.460 0.000 0.000 0.326 268 C C 0.116 175.063 174.990 -0.073 0.000 1.285 268 C CA -0.693 58.280 59.018 -0.075 0.000 1.675 268 C CB 0.947 28.642 27.740 -0.076 0.000 2.289 268 C HN 0.470 nan 8.230 nan 0.000 0.512 269 V N 4.627 124.482 119.914 -0.099 0.000 2.638 269 V HA 0.464 4.584 4.120 0.000 0.000 0.306 269 V C -0.317 175.743 176.094 -0.058 0.000 1.052 269 V CA -0.759 61.493 62.300 -0.080 0.000 0.885 269 V CB 1.912 33.643 31.823 -0.152 0.000 0.999 269 V HN 0.891 nan 8.190 nan 0.000 0.424 270 K N 5.564 125.967 120.400 0.005 0.000 2.156 270 K HA 0.828 5.148 4.320 0.000 0.000 0.271 270 K C -0.574 176.029 176.600 0.005 0.000 0.995 270 K CA -0.508 55.801 56.287 0.037 0.000 0.890 270 K CB 2.038 34.602 32.500 0.106 0.000 1.073 270 K HN 0.710 nan 8.250 nan 0.000 0.454 271 I N -2.395 118.196 120.570 0.035 0.000 3.436 271 I HA 0.515 4.685 4.170 0.000 0.000 0.300 271 I C 0.268 176.394 176.117 0.014 0.000 1.131 271 I CA -1.549 59.768 61.300 0.028 0.000 1.001 271 I CB 1.664 39.726 38.000 0.104 0.000 1.305 271 I HN 0.626 nan 8.210 nan 0.000 0.494 272 G N 1.339 110.149 108.800 0.015 0.000 3.316 272 G HA2 0.566 4.526 3.960 0.000 0.000 0.255 272 G HA3 0.566 4.526 3.960 0.000 0.000 0.255 272 G C -0.164 174.769 174.900 0.055 0.000 0.880 272 G CA 0.017 45.124 45.100 0.011 0.000 1.956 272 G HN 0.862 nan 8.290 nan 0.000 0.634 273 A N 0.825 123.694 122.820 0.083 0.000 2.365 273 A HA 0.703 5.023 4.320 0.000 0.000 0.318 273 A C 0.886 178.529 177.584 0.097 0.000 1.091 273 A CA -0.688 51.405 52.037 0.093 0.000 0.763 273 A CB 1.314 20.385 19.000 0.119 0.000 1.248 273 A HN 0.281 nan 8.150 nan 0.000 0.442 274 L N 0.823 122.092 121.223 0.077 0.000 1.993 274 L HA -0.027 4.313 4.340 0.000 0.000 0.206 274 L C 2.276 179.178 176.870 0.054 0.000 1.074 274 L CA 1.848 56.730 54.840 0.070 0.000 0.746 274 L CB -0.091 41.999 42.059 0.052 0.000 0.896 274 L HN 0.951 nan 8.230 nan 0.000 0.435 275 R N -2.395 118.120 120.500 0.026 0.000 2.590 275 R HA 0.296 4.636 4.340 0.000 0.000 0.410 275 R C -0.566 175.691 176.300 -0.071 0.000 1.010 275 R CA -0.376 55.711 56.100 -0.023 0.000 1.155 275 R CB -0.299 29.989 30.300 -0.020 0.000 1.455 275 R HN 0.081 nan 8.270 nan 0.000 0.567 276 C N 2.209 121.493 119.300 -0.027 0.000 2.408 276 C HA 0.537 4.997 4.460 0.000 0.000 0.321 276 C C -0.525 174.502 174.990 0.061 0.000 1.245 276 C CA -0.723 58.282 59.018 -0.022 0.000 1.523 276 C CB 0.770 28.529 27.740 0.033 0.000 2.178 276 C HN 0.429 nan 8.230 nan 0.000 0.488 277 H N 0.958 120.056 119.070 0.047 0.000 2.481 277 H HA 0.618 5.174 4.556 0.000 0.000 0.339 277 H C -0.128 175.190 175.328 -0.017 0.000 1.131 277 H CA 0.034 56.106 56.048 0.041 0.000 1.301 277 H CB 1.579 31.363 29.762 0.037 0.000 1.476 277 H HN 0.603 nan 8.280 nan 0.000 0.529 278 S N 1.649 117.414 115.700 0.109 0.000 2.548 278 S HA 0.490 4.960 4.470 0.000 0.000 0.286 278 S C -0.721 173.739 174.600 -0.233 0.000 1.098 278 S CA -0.886 57.205 58.200 -0.181 0.000 0.930 278 S CB 2.261 65.391 63.200 -0.118 0.000 1.070 278 S HN 0.500 nan 8.310 nan 0.000 0.480 279 Q N 0.781 120.150 119.800 -0.720 0.000 2.331 279 Q HA 0.670 5.010 4.340 0.000 0.000 0.272 279 Q C -1.333 174.118 176.000 -0.915 0.000 1.062 279 Q CA -0.815 54.605 55.803 -0.638 0.000 0.806 279 Q CB 2.316 30.600 28.738 -0.757 0.000 1.312 279 Q HN 0.735 nan 8.270 nan 0.000 0.431 280 A N 3.177 125.858 122.820 -0.232 0.000 2.249 280 A HA 0.684 5.004 4.320 0.000 0.000 0.314 280 A C -1.090 176.534 177.584 0.066 0.000 1.290 280 A CA -0.293 51.779 52.037 0.058 0.000 0.893 280 A CB 0.024 19.269 19.000 0.409 0.000 1.165 280 A HN 0.660 nan 8.150 nan 0.000 0.530 281 F N 1.271 121.296 119.950 0.126 0.000 2.443 281 F HA 0.454 4.981 4.527 0.000 0.000 0.335 281 F C 0.552 176.396 175.800 0.072 0.000 1.104 281 F CA -0.547 57.499 58.000 0.077 0.000 1.013 281 F CB 2.654 41.670 39.000 0.026 0.000 1.136 281 F HN 0.407 nan 8.300 nan 0.000 0.470 282 T N 4.729 119.445 114.554 0.270 0.000 3.064 282 T HA 0.441 4.791 4.350 0.000 0.000 0.367 282 T C -0.465 174.181 174.700 -0.089 0.000 1.202 282 T CA -0.389 61.795 62.100 0.139 0.000 1.133 282 T CB 0.091 69.093 68.868 0.224 0.000 1.074 282 T HN 0.193 nan 8.240 nan 0.000 0.519 283 I N 2.797 123.246 120.570 -0.201 0.000 2.321 283 I HA 0.404 4.574 4.170 0.000 0.000 0.291 283 I C 0.262 175.968 176.117 -0.686 0.000 0.998 283 I CA -0.829 60.190 61.300 -0.469 0.000 1.227 283 I CB 1.154 38.930 38.000 -0.373 0.000 1.368 283 I HN 0.184 nan 8.210 nan 0.000 0.466 284 K N 6.990 126.655 120.400 -1.226 0.000 2.284 284 K HA 0.460 4.780 4.320 0.000 0.000 0.287 284 K C -0.560 175.556 176.600 -0.807 0.000 1.081 284 K CA -0.005 55.515 56.287 -1.278 0.000 0.910 284 K CB 0.265 31.580 32.500 -1.976 0.000 1.088 284 K HN 0.569 nan 8.250 nan 0.000 0.478 285 L N 3.577 124.456 121.223 -0.573 0.000 2.859 285 L HA 0.317 4.657 4.340 0.000 0.000 0.181 285 L C 0.818 177.504 176.870 -0.306 0.000 1.196 285 L CA -0.351 54.256 54.840 -0.388 0.000 1.062 285 L CB 0.288 42.180 42.059 -0.279 0.000 1.961 285 L HN 0.671 nan 8.230 nan 0.000 0.507 286 K N -0.327 119.946 120.400 -0.212 0.000 2.625 286 K HA 0.182 4.502 4.320 0.000 0.000 0.190 286 K C -1.306 175.231 176.600 -0.104 0.000 1.174 286 K CA -0.045 56.154 56.287 -0.147 0.000 1.103 286 K CB 0.663 33.084 32.500 -0.131 0.000 0.900 286 K HN 0.443 nan 8.250 nan 0.000 0.540 287 K N 0.227 120.564 120.400 -0.104 0.000 2.589 287 K HA 0.080 4.400 4.320 0.000 0.000 0.298 287 K C -1.781 174.781 176.600 -0.063 0.000 1.136 287 K CA -0.732 55.512 56.287 -0.071 0.000 1.020 287 K CB 0.638 33.100 32.500 -0.063 0.000 1.345 287 K HN -0.146 nan 8.250 nan 0.000 0.478 288 D N 4.394 124.768 120.400 -0.044 0.000 2.518 288 D HA 0.006 4.646 4.640 0.000 0.000 0.270 288 D C -0.694 175.588 176.300 -0.030 0.000 1.338 288 D CA 0.576 54.558 54.000 -0.030 0.000 0.983 288 D CB 0.269 41.063 40.800 -0.010 0.000 1.126 288 D HN 0.519 nan 8.370 nan 0.000 0.543 289 L N 4.626 125.827 121.223 -0.037 0.000 2.333 289 L HA 0.500 4.840 4.340 0.000 0.000 0.269 289 L C -1.939 174.917 176.870 -0.024 0.000 1.010 289 L CA -2.459 52.362 54.840 -0.032 0.000 0.818 289 L CB 1.978 44.012 42.059 -0.042 0.000 1.306 289 L HN 0.271 nan 8.230 nan 0.000 0.430 290 P HA -0.090 nan 4.420 nan 0.000 0.264 290 P C 0.588 177.880 177.300 -0.013 0.000 1.183 290 P CA -0.118 62.975 63.100 -0.012 0.000 0.763 290 P CB 0.535 32.229 31.700 -0.010 0.000 0.807 291 L N 3.767 124.985 121.223 -0.008 0.000 2.079 291 L HA -0.181 4.159 4.340 0.000 0.000 0.210 291 L C 1.681 178.548 176.870 -0.005 0.000 1.081 291 L CA 2.149 56.985 54.840 -0.006 0.000 0.752 291 L CB -0.918 41.141 42.059 0.001 0.000 0.896 291 L HN 0.518 nan 8.230 nan 0.000 0.433 292 E N -0.631 119.566 120.200 -0.004 0.000 2.333 292 E HA -0.253 4.097 4.350 0.000 0.000 0.198 292 E C 1.905 178.502 176.600 -0.005 0.000 1.007 292 E CA 0.959 57.358 56.400 -0.003 0.000 0.845 292 E CB 0.232 29.930 29.700 -0.002 0.000 0.766 292 E HN 0.576 nan 8.360 nan 0.000 0.507 293 E N 0.078 120.272 120.200 -0.010 0.000 2.099 293 E HA -0.051 4.299 4.350 0.000 0.000 0.191 293 E C 1.998 178.589 176.600 -0.015 0.000 0.962 293 E CA 0.159 56.551 56.400 -0.012 0.000 0.826 293 E CB 0.083 29.773 29.700 -0.016 0.000 0.788 293 E HN 0.220 nan 8.360 nan 0.000 0.461 294 I N 1.702 122.260 120.570 -0.021 0.000 2.399 294 I HA -0.291 3.880 4.170 0.000 0.000 0.254 294 I C 1.998 178.106 176.117 -0.015 0.000 1.146 294 I CA 1.284 62.567 61.300 -0.027 0.000 1.412 294 I CB -0.266 37.713 38.000 -0.035 0.000 1.076 294 I HN 0.224 nan 8.210 nan 0.000 0.432 295 E N 0.399 120.596 120.200 -0.005 0.000 2.028 295 E HA -0.246 4.104 4.350 0.000 0.000 0.190 295 E C 2.177 178.782 176.600 0.007 0.000 0.984 295 E CA 0.980 57.383 56.400 0.004 0.000 0.800 295 E CB -0.146 29.558 29.700 0.007 0.000 0.758 295 E HN 0.416 nan 8.360 nan 0.000 0.448 296 Q N 0.790 120.592 119.800 0.003 0.000 2.181 296 Q HA -0.128 4.212 4.340 0.000 0.000 0.205 296 Q C 2.059 178.065 176.000 0.010 0.000 0.980 296 Q CA 1.134 56.940 55.803 0.005 0.000 0.862 296 Q CB -0.189 28.549 28.738 -0.000 0.000 0.905 296 Q HN 0.352 nan 8.270 nan 0.000 0.429 297 I N -0.433 120.141 120.570 0.006 0.000 2.361 297 I HA -0.247 3.923 4.170 0.000 0.000 0.251 297 I C 1.761 177.898 176.117 0.033 0.000 1.133 297 I CA 0.990 62.298 61.300 0.013 0.000 1.413 297 I CB -0.222 37.774 38.000 -0.006 0.000 1.073 297 I HN 0.218 nan 8.210 nan 0.000 0.424 298 I N 0.580 121.165 120.570 0.024 0.000 2.339 298 I HA -0.137 4.033 4.170 0.000 0.000 0.245 298 I C 2.707 178.856 176.117 0.054 0.000 1.096 298 I CA 0.994 62.314 61.300 0.033 0.000 1.408 298 I CB -0.435 37.577 38.000 0.021 0.000 1.092 298 I HN 0.095 nan 8.210 nan 0.000 0.423 299 A N -0.068 122.775 122.820 0.039 0.000 2.121 299 A HA -0.112 4.208 4.320 0.000 0.000 0.218 299 A C 2.367 179.973 177.584 0.035 0.000 1.154 299 A CA 1.617 53.675 52.037 0.035 0.000 0.679 299 A CB -0.418 18.594 19.000 0.020 0.000 0.795 299 A HN 0.361 nan 8.150 nan 0.000 0.458 300 S N -1.589 114.137 115.700 0.043 0.000 2.458 300 S HA -0.044 4.426 4.470 0.000 0.000 0.223 300 S C 1.822 176.448 174.600 0.044 0.000 1.019 300 S CA 0.389 58.606 58.200 0.028 0.000 0.937 300 S CB -0.454 62.757 63.200 0.017 0.000 0.788 300 S HN 0.792 nan 8.310 nan 0.000 0.511 301 H N 3.063 122.133 119.070 -0.000 0.000 2.426 301 H HA -0.070 4.486 4.556 0.000 0.000 0.298 301 H C 0.156 175.496 175.328 0.020 0.000 1.107 301 H CA 1.832 57.885 56.048 0.010 0.000 1.298 301 H CB 0.028 29.799 29.762 0.015 0.000 1.377 301 H HN 0.602 nan 8.280 nan 0.000 0.519 302 N N -1.598 117.174 118.700 0.120 0.000 3.043 302 N HA -0.045 4.695 4.740 0.000 0.000 0.243 302 N C 0.024 175.514 175.510 -0.033 0.000 1.347 302 N CA -0.236 52.868 53.050 0.090 0.000 0.896 302 N CB 0.368 39.072 38.487 0.362 0.000 1.501 302 N HN 0.109 nan 8.380 nan 0.000 0.504 303 E N -0.450 119.544 120.200 -0.342 0.000 2.516 303 E HA -0.073 4.278 4.350 0.000 0.000 0.199 303 E C -0.295 175.956 176.600 -0.582 0.000 1.069 303 E CA 0.364 56.417 56.400 -0.578 0.000 0.876 303 E CB -0.132 29.029 29.700 -0.899 0.000 0.843 303 E HN 0.670 nan 8.360 nan 0.000 0.530 304 W N 0.947 122.270 121.300 0.037 0.000 2.780 304 W HA 0.231 4.891 4.660 0.000 0.000 0.272 304 W C 1.120 177.654 176.519 0.026 0.000 1.116 304 W CA -0.483 56.898 57.345 0.059 0.000 1.600 304 W CB -0.320 29.183 29.460 0.072 0.000 1.086 304 W HN -0.111 nan 8.180 nan 0.000 0.584 305 V N 3.433 123.479 119.914 0.220 0.000 2.843 305 V HA -0.085 4.035 4.120 0.000 0.000 0.305 305 V C 0.080 176.226 176.094 0.087 0.000 1.120 305 V CA 0.910 63.281 62.300 0.119 0.000 1.254 305 V CB 0.446 32.319 31.823 0.082 0.000 0.901 305 V HN 0.091 nan 8.190 nan 0.000 0.503 306 K N 5.538 125.984 120.400 0.076 0.000 2.545 306 K HA 0.515 4.835 4.320 0.000 0.000 0.252 306 K C -1.350 175.280 176.600 0.051 0.000 0.948 306 K CA -0.768 55.554 56.287 0.058 0.000 0.827 306 K CB 1.896 34.434 32.500 0.064 0.000 1.128 306 K HN 0.580 nan 8.250 nan 0.000 0.429 307 V N 6.140 126.079 119.914 0.041 0.000 2.415 307 V HA 0.144 4.264 4.120 0.000 0.000 0.267 307 V C 0.289 176.405 176.094 0.037 0.000 1.042 307 V CA -0.380 61.944 62.300 0.039 0.000 1.000 307 V CB 0.427 32.268 31.823 0.030 0.000 1.015 307 V HN 0.634 nan 8.190 nan 0.000 0.478 308 I N 8.588 129.184 120.570 0.043 0.000 2.312 308 I HA 0.321 4.491 4.170 0.000 0.000 0.291 308 I C -1.734 174.403 176.117 0.032 0.000 1.031 308 I CA -2.694 58.630 61.300 0.039 0.000 1.293 308 I CB 1.246 39.274 38.000 0.048 0.000 1.403 308 I HN 0.413 nan 8.210 nan 0.000 0.484 309 P HA -0.039 nan 4.420 nan 0.000 0.265 309 P C -0.041 177.268 177.300 0.015 0.000 1.193 309 P CA -0.154 62.956 63.100 0.018 0.000 0.765 309 P CB 0.550 32.258 31.700 0.013 0.000 0.823 310 N N 2.059 120.767 118.700 0.014 0.000 3.027 310 N HA -0.011 4.729 4.740 0.000 0.000 0.309 310 N C -0.799 174.711 175.510 0.001 0.000 1.222 310 N CA 0.214 53.269 53.050 0.008 0.000 1.187 310 N CB -0.883 37.610 38.487 0.010 0.000 1.458 310 N HN 0.379 nan 8.380 nan 0.000 0.535 311 D N -0.407 119.992 120.400 -0.001 0.000 2.619 311 D HA 0.216 4.856 4.640 0.000 0.000 0.241 311 D C 0.829 177.123 176.300 -0.010 0.000 1.087 311 D CA -0.744 53.253 54.000 -0.004 0.000 0.851 311 D CB 1.397 42.197 40.800 -0.001 0.000 1.474 311 D HN 0.051 nan 8.370 nan 0.000 0.478 312 K N 2.089 122.480 120.400 -0.014 0.000 1.965 312 K HA -0.226 4.094 4.320 0.000 0.000 0.218 312 K C 1.525 178.116 176.600 -0.015 0.000 1.048 312 K CA 1.634 57.909 56.287 -0.019 0.000 0.960 312 K CB -0.073 32.415 32.500 -0.019 0.000 0.732 312 K HN 0.654 nan 8.250 nan 0.000 0.444 313 E N 0.353 120.547 120.200 -0.010 0.000 2.147 313 E HA -0.231 4.119 4.350 0.000 0.000 0.199 313 E C 1.919 178.518 176.600 -0.003 0.000 1.005 313 E CA 1.753 58.150 56.400 -0.006 0.000 0.810 313 E CB -0.107 29.591 29.700 -0.003 0.000 0.736 313 E HN 0.463 nan 8.360 nan 0.000 0.460 314 I N 0.014 120.583 120.570 -0.001 0.000 2.480 314 I HA -0.148 4.022 4.170 0.000 0.000 0.251 314 I C 2.313 178.434 176.117 0.006 0.000 1.124 314 I CA 0.954 62.257 61.300 0.005 0.000 1.444 314 I CB -0.173 37.832 38.000 0.008 0.000 1.098 314 I HN 0.098 nan 8.210 nan 0.000 0.428 315 T N 1.377 115.930 114.554 -0.002 0.000 2.788 315 T HA -0.119 4.231 4.350 0.000 0.000 0.268 315 T C 1.848 176.542 174.700 -0.010 0.000 1.044 315 T CA 1.222 63.319 62.100 -0.006 0.000 1.139 315 T CB -0.187 68.665 68.868 -0.028 0.000 0.867 315 T HN 0.087 nan 8.240 nan 0.000 0.454 316 L N 0.631 121.844 121.223 -0.016 0.000 2.201 316 L HA 0.092 4.432 4.340 0.000 0.000 0.212 316 L C 2.461 179.331 176.870 -0.000 0.000 1.105 316 L CA 1.427 56.258 54.840 -0.015 0.000 0.775 316 L CB -0.444 41.605 42.059 -0.017 0.000 0.913 316 L HN 0.115 nan 8.230 nan 0.000 0.440 317 R N -1.135 119.369 120.500 0.006 0.000 2.140 317 R HA -0.016 4.324 4.340 0.000 0.000 0.213 317 R C 1.651 177.964 176.300 0.022 0.000 1.059 317 R CA 0.692 56.800 56.100 0.013 0.000 1.000 317 R CB 0.329 30.636 30.300 0.012 0.000 0.910 317 R HN 0.273 nan 8.270 nan 0.000 0.455 318 E N 0.110 120.326 120.200 0.026 0.000 2.256 318 E HA -0.027 4.323 4.350 0.000 0.000 0.198 318 E C 0.324 176.956 176.600 0.052 0.000 0.908 318 E CA 0.143 56.566 56.400 0.038 0.000 0.915 318 E CB 0.082 29.804 29.700 0.038 0.000 0.890 318 E HN 0.089 nan 8.360 nan 0.000 0.484 319 L N 2.913 124.169 121.223 0.056 0.000 2.727 319 L HA 0.158 4.498 4.340 0.000 0.000 0.237 319 L C -0.340 176.594 176.870 0.108 0.000 1.370 319 L CA 0.283 55.180 54.840 0.095 0.000 1.248 319 L CB -0.814 41.314 42.059 0.116 0.000 1.556 319 L HN 0.030 nan 8.230 nan 0.000 0.420 320 T N -2.993 111.611 114.554 0.083 0.000 2.868 320 T HA 0.479 4.829 4.350 0.000 0.000 0.306 320 T C -2.352 172.390 174.700 0.070 0.000 1.224 320 T CA -1.514 60.632 62.100 0.077 0.000 1.012 320 T CB 1.773 70.667 68.868 0.043 0.000 1.221 320 T HN -0.158 nan 8.240 nan 0.000 0.499 321 P HA 0.016 nan 4.420 nan 0.000 0.216 321 P C 1.688 179.018 177.300 0.050 0.000 1.150 321 P CA 1.498 64.636 63.100 0.063 0.000 0.837 321 P CB -0.207 31.536 31.700 0.072 0.000 0.786 322 A N -0.494 122.353 122.820 0.045 0.000 2.019 322 A HA -0.224 4.096 4.320 0.000 0.000 0.219 322 A C 2.234 179.841 177.584 0.037 0.000 1.164 322 A CA 2.014 54.073 52.037 0.037 0.000 0.644 322 A CB -0.902 18.117 19.000 0.032 0.000 0.805 322 A HN 0.074 nan 8.150 nan 0.000 0.449 323 K N -0.179 120.246 120.400 0.042 0.000 2.067 323 K HA -0.003 4.317 4.320 0.000 0.000 0.203 323 K C 1.689 178.319 176.600 0.050 0.000 1.048 323 K CA 1.652 57.965 56.287 0.043 0.000 0.954 323 K CB -0.531 31.996 32.500 0.045 0.000 0.737 323 K HN 0.409 nan 8.250 nan 0.000 0.444 324 V N 0.042 119.990 119.914 0.056 0.000 3.541 324 V HA 0.151 4.271 4.120 0.000 0.000 0.267 324 V C -0.070 176.056 176.094 0.054 0.000 1.213 324 V CA 0.265 62.603 62.300 0.064 0.000 1.149 324 V CB -0.675 31.193 31.823 0.075 0.000 0.822 324 V HN 0.175 nan 8.190 nan 0.000 0.462 325 T N 2.593 117.172 114.554 0.042 0.000 2.822 325 T HA 0.372 4.722 4.350 0.000 0.000 0.288 325 T C 1.245 175.961 174.700 0.026 0.000 0.991 325 T CA 1.363 63.481 62.100 0.030 0.000 1.176 325 T CB -0.066 68.819 68.868 0.028 0.000 0.951 325 T HN 1.409 nan 8.240 nan 0.000 0.526 326 G N 3.079 111.888 108.800 0.015 0.000 2.148 326 G HA2 -0.252 3.708 3.960 0.000 0.000 0.254 326 G HA3 -0.252 3.708 3.960 0.000 0.000 0.254 326 G C 0.328 175.237 174.900 0.015 0.000 0.981 326 G CA 0.417 45.521 45.100 0.008 0.000 0.670 326 G HN 1.164 nan 8.290 nan 0.000 0.528 327 T N -2.623 111.952 114.554 0.035 0.000 2.926 327 T HA 0.732 5.082 4.350 0.000 0.000 0.289 327 T C 1.035 175.785 174.700 0.084 0.000 1.054 327 T CA -0.636 61.501 62.100 0.062 0.000 1.015 327 T CB 1.894 70.813 68.868 0.085 0.000 1.167 327 T HN 0.290 nan 8.240 nan 0.000 0.526 328 L N 1.074 122.381 121.223 0.139 0.000 2.628 328 L HA 0.281 4.621 4.340 0.000 0.000 0.229 328 L C 1.399 178.542 176.870 0.455 0.000 1.137 328 L CA -0.227 54.750 54.840 0.227 0.000 0.909 328 L CB 0.217 42.400 42.059 0.206 0.000 1.137 328 L HN 0.741 nan 8.230 nan 0.000 0.470 329 S N 0.285 116.175 115.700 0.317 0.000 2.548 329 S HA 0.275 4.745 4.470 0.000 0.000 0.277 329 S C -0.035 174.706 174.600 0.235 0.000 1.315 329 S CA -0.376 57.998 58.200 0.289 0.000 1.050 329 S CB 1.012 64.323 63.200 0.184 0.000 0.918 329 S HN -0.009 nan 8.310 nan 0.000 0.497 330 V N 8.399 128.439 119.914 0.210 0.000 2.266 330 V HA 0.363 4.483 4.120 0.000 0.000 0.266 330 V C -2.116 174.032 176.094 0.090 0.000 1.036 330 V CA -1.603 60.773 62.300 0.126 0.000 0.828 330 V CB 0.739 32.602 31.823 0.065 0.000 1.081 330 V HN 0.752 nan 8.190 nan 0.000 0.449 331 P HA 0.254 nan 4.420 nan 0.000 0.275 331 P C -0.665 176.665 177.300 0.051 0.000 1.227 331 P CA 0.117 63.258 63.100 0.067 0.000 0.781 331 P CB 2.576 34.319 31.700 0.071 0.000 0.906 332 V N 2.589 122.538 119.914 0.058 0.000 2.709 332 V HA 0.873 4.993 4.120 0.000 0.000 0.308 332 V C -0.194 175.947 176.094 0.079 0.000 1.062 332 V CA -0.111 62.226 62.300 0.062 0.000 0.901 332 V CB 1.650 33.515 31.823 0.070 0.000 1.003 332 V HN 0.884 nan 8.190 nan 0.000 0.425 333 G N 4.104 112.968 108.800 0.107 0.000 2.731 333 G HA2 0.549 4.509 3.960 0.000 0.000 0.309 333 G HA3 0.549 4.509 3.960 0.000 0.000 0.309 333 G C -0.511 174.455 174.900 0.111 0.000 1.273 333 G CA -0.551 44.608 45.100 0.098 0.000 0.798 333 G HN 0.831 nan 8.290 nan 0.000 0.509 334 R N -1.728 118.814 120.500 0.071 0.000 3.758 334 R HA -0.145 4.195 4.340 0.000 0.000 0.299 334 R C -0.145 176.193 176.300 0.062 0.000 1.182 334 R CA 0.292 56.422 56.100 0.051 0.000 0.809 334 R CB -2.598 27.728 30.300 0.044 0.000 1.249 334 R HN 0.371 nan 8.270 nan 0.000 0.497 335 L N 1.599 122.857 121.223 0.059 0.000 2.410 335 L HA 0.315 4.655 4.340 0.000 0.000 0.273 335 L C 1.230 178.122 176.870 0.036 0.000 1.152 335 L CA 0.790 55.662 54.840 0.053 0.000 0.855 335 L CB 0.542 42.628 42.059 0.045 0.000 1.129 335 L HN 0.278 nan 8.230 nan 0.000 0.463 336 R N 1.319 121.841 120.500 0.037 0.000 2.828 336 R HA 0.415 4.755 4.340 0.000 0.000 0.280 336 R C -1.527 174.794 176.300 0.034 0.000 1.020 336 R CA -1.190 54.927 56.100 0.029 0.000 0.855 336 R CB 0.725 31.041 30.300 0.026 0.000 1.278 336 R HN 0.080 nan 8.270 nan 0.000 0.495 337 K N 1.445 121.863 120.400 0.031 0.000 2.202 337 K HA 0.381 4.701 4.320 0.000 0.000 0.264 337 K C -0.027 176.605 176.600 0.054 0.000 1.010 337 K CA -0.388 55.926 56.287 0.044 0.000 0.940 337 K CB 0.533 33.057 32.500 0.039 0.000 0.983 337 K HN 0.469 nan 8.250 nan 0.000 0.475 338 L N 0.943 122.214 121.223 0.080 0.000 2.344 338 L HA 0.249 4.590 4.340 0.000 0.000 0.272 338 L C 1.420 178.296 176.870 0.009 0.000 1.035 338 L CA -0.561 54.312 54.840 0.054 0.000 0.807 338 L CB 1.470 43.577 42.059 0.079 0.000 1.237 338 L HN 0.729 nan 8.230 nan 0.000 0.442 339 A N 2.129 124.938 122.820 -0.017 0.000 2.204 339 A HA -0.192 4.128 4.320 0.000 0.000 0.220 339 A C 1.689 179.216 177.584 -0.095 0.000 1.165 339 A CA 1.651 53.665 52.037 -0.039 0.000 0.671 339 A CB -0.525 18.456 19.000 -0.032 0.000 0.792 339 A HN 0.762 nan 8.150 nan 0.000 0.473 340 M N -1.169 118.308 119.600 -0.205 0.000 2.618 340 M HA 0.306 4.786 4.480 0.000 0.000 0.240 340 M C 0.868 177.016 176.300 -0.254 0.000 1.123 340 M CA 1.023 56.067 55.300 -0.426 0.000 1.060 340 M CB -0.084 31.865 32.600 -1.084 0.000 1.535 340 M HN 0.556 nan 8.290 nan 0.000 0.507 341 G N -0.309 108.482 108.800 -0.015 0.000 2.375 341 G HA2 0.018 3.978 3.960 0.000 0.000 0.663 341 G HA3 0.018 3.978 3.960 0.000 0.000 0.663 341 G C -2.670 172.345 174.900 0.191 0.000 1.391 341 G CA -0.985 44.193 45.100 0.129 0.000 0.949 341 G HN -0.060 nan 8.290 nan 0.000 0.646 342 P HA -0.009 nan 4.420 nan 0.000 0.236 342 P C 0.577 177.909 177.300 0.053 0.000 1.172 342 P CA 1.072 64.215 63.100 0.072 0.000 0.759 342 P CB 0.275 31.997 31.700 0.038 0.000 0.843 343 E N -0.894 119.361 120.200 0.090 0.000 2.411 343 E HA 0.142 4.492 4.350 0.000 0.000 0.204 343 E C -0.855 175.573 176.600 -0.287 0.000 1.059 343 E CA -0.204 56.145 56.400 -0.084 0.000 1.112 343 E CB -0.028 29.604 29.700 -0.114 0.000 1.168 343 E HN 0.326 nan 8.360 nan 0.000 0.445 344 Y N 0.358 120.609 120.300 -0.082 0.000 2.315 344 Y HA 0.259 4.809 4.550 0.000 0.000 0.324 344 Y C -0.676 175.173 175.900 -0.085 0.000 1.062 344 Y CA -0.942 57.096 58.100 -0.104 0.000 1.159 344 Y CB 1.284 39.724 38.460 -0.033 0.000 1.145 344 Y HN 0.048 nan 8.280 nan 0.000 0.442 345 L N 3.370 124.578 121.223 -0.026 0.000 2.325 345 L HA 0.971 5.311 4.340 0.000 0.000 0.278 345 L C -0.584 176.304 176.870 0.030 0.000 1.023 345 L CA -0.410 54.424 54.840 -0.011 0.000 0.811 345 L CB 1.342 43.359 42.059 -0.069 0.000 1.249 345 L HN 0.615 nan 8.230 nan 0.000 0.431 346 A N 4.065 126.924 122.820 0.065 0.000 2.330 346 A HA 0.968 5.289 4.320 0.000 0.000 0.327 346 A C -0.833 176.826 177.584 0.125 0.000 1.155 346 A CA 0.062 52.163 52.037 0.107 0.000 0.803 346 A CB 1.141 20.200 19.000 0.098 0.000 1.208 346 A HN 1.234 nan 8.150 nan 0.000 0.477 347 A N 1.201 124.136 122.820 0.192 0.000 2.574 347 A HA 0.758 5.078 4.320 0.000 0.000 0.297 347 A C -1.576 176.125 177.584 0.196 0.000 1.062 347 A CA -0.364 51.797 52.037 0.207 0.000 0.686 347 A CB 1.011 20.159 19.000 0.246 0.000 1.285 347 A HN 1.548 nan 8.150 nan 0.000 0.403 348 F N 0.766 120.696 119.950 -0.034 0.000 2.556 348 F HA 0.784 5.311 4.527 0.000 0.000 0.314 348 F C -0.023 175.687 175.800 -0.150 0.000 1.106 348 F CA 0.112 58.012 58.000 -0.167 0.000 0.911 348 F CB 2.376 41.290 39.000 -0.145 0.000 1.190 348 F HN 0.731 nan 8.300 nan 0.000 0.448 349 T N 4.241 118.257 114.554 -0.897 0.000 2.864 349 T HA 0.776 5.126 4.350 0.000 0.000 0.299 349 T C -2.058 172.321 174.700 -0.535 0.000 1.166 349 T CA -0.499 61.320 62.100 -0.469 0.000 1.007 349 T CB 1.526 70.256 68.868 -0.229 0.000 1.219 349 T HN 0.440 nan 8.240 nan 0.000 0.506 350 V N 1.865 121.661 119.914 -0.197 0.000 2.623 350 V HA 0.844 4.964 4.120 0.000 0.000 0.304 350 V C 0.347 176.440 176.094 -0.002 0.000 1.054 350 V CA -0.526 61.718 62.300 -0.094 0.000 0.882 350 V CB 1.638 33.462 31.823 0.001 0.000 1.002 350 V HN 1.148 nan 8.190 nan 0.000 0.424 351 G N 1.535 110.349 108.800 0.025 0.000 2.620 351 G HA2 0.491 4.451 3.960 0.000 0.000 0.301 351 G HA3 0.491 4.451 3.960 0.000 0.000 0.301 351 G C -1.463 173.468 174.900 0.052 0.000 1.347 351 G CA -0.472 44.669 45.100 0.069 0.000 0.971 351 G HN 0.608 nan 8.290 nan 0.000 0.488 352 D N 0.829 121.267 120.400 0.064 0.000 2.371 352 D HA -0.015 4.625 4.640 0.000 0.000 0.256 352 D C 1.075 177.353 176.300 -0.038 0.000 1.193 352 D CA -0.191 53.812 54.000 0.005 0.000 0.881 352 D CB 1.394 42.200 40.800 0.011 0.000 1.143 352 D HN 0.406 nan 8.370 nan 0.000 0.473 353 Q N 4.080 123.787 119.800 -0.154 0.000 2.167 353 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 353 Q C 1.806 177.744 176.000 -0.103 0.000 0.970 353 Q CA 0.975 56.637 55.803 -0.235 0.000 0.855 353 Q CB 0.097 28.484 28.738 -0.585 0.000 0.911 353 Q HN 0.692 nan 8.270 nan 0.000 0.438 354 L N -0.008 121.165 121.223 -0.084 0.000 2.313 354 L HA -0.069 4.271 4.340 0.000 0.000 0.214 354 L C 2.108 178.932 176.870 -0.077 0.000 1.119 354 L CA 0.236 55.040 54.840 -0.060 0.000 0.809 354 L CB -0.053 41.976 42.059 -0.049 0.000 0.933 354 L HN 0.174 nan 8.230 nan 0.000 0.449 355 L N -2.056 119.109 121.223 -0.097 0.000 2.292 355 L HA -0.037 4.303 4.340 0.000 0.000 0.196 355 L C 2.041 178.770 176.870 -0.235 0.000 1.246 355 L CA 0.872 55.587 54.840 -0.208 0.000 0.864 355 L CB -0.672 41.234 42.059 -0.255 0.000 1.044 355 L HN 0.158 nan 8.230 nan 0.000 0.504 356 W N 0.259 121.498 121.300 -0.102 0.000 2.525 356 W HA -0.035 4.625 4.660 0.000 0.000 0.259 356 W C 2.046 178.521 176.519 -0.074 0.000 1.253 356 W CA 0.632 57.905 57.345 -0.121 0.000 1.262 356 W CB -0.223 29.154 29.460 -0.140 0.000 1.122 356 W HN 0.263 nan 8.180 nan 0.000 0.607 357 G N -0.961 107.923 108.800 0.139 0.000 2.985 357 G HA2 0.326 4.287 3.960 0.000 0.000 0.209 357 G HA3 0.326 4.287 3.960 0.000 0.000 0.209 357 G C 0.706 175.641 174.900 0.059 0.000 1.165 357 G CA 0.711 45.870 45.100 0.098 0.000 0.776 357 G HN 0.238 nan 8.290 nan 0.000 0.541 358 A N -0.520 122.314 122.820 0.024 0.000 1.805 358 A HA 0.665 4.985 4.320 0.000 0.000 0.127 358 A C 2.046 179.615 177.584 -0.024 0.000 1.483 358 A CA 1.168 53.210 52.037 0.008 0.000 2.456 358 A CB -1.040 17.961 19.000 0.001 0.000 2.518 358 A HN 0.688 nan 8.150 nan 0.000 1.267 359 A N -0.233 122.550 122.820 -0.061 0.000 1.877 359 A HA -0.057 4.263 4.320 0.000 0.000 0.216 359 A C 1.776 179.268 177.584 -0.153 0.000 1.186 359 A CA 2.507 54.495 52.037 -0.082 0.000 0.620 359 A CB -0.618 18.336 19.000 -0.078 0.000 0.822 359 A HN 0.574 nan 8.150 nan 0.000 0.443 360 E N 0.109 120.138 120.200 -0.285 0.000 2.070 360 E HA -0.130 4.220 4.350 0.000 0.000 0.197 360 E C -0.634 175.769 176.600 -0.329 0.000 1.004 360 E CA 2.093 58.199 56.400 -0.490 0.000 0.805 360 E CB -1.104 27.938 29.700 -1.097 0.000 0.744 360 E HN 0.435 nan 8.360 nan 0.000 0.451 361 P HA -0.108 nan 4.420 nan 0.000 0.220 361 P C 1.221 178.519 177.300 -0.004 0.000 1.148 361 P CA 0.896 64.014 63.100 0.031 0.000 0.803 361 P CB 0.145 31.917 31.700 0.120 0.000 0.782 362 V N -0.091 119.804 119.914 -0.032 0.000 2.407 362 V HA -0.148 3.972 4.120 0.000 0.000 0.245 362 V C 2.589 178.646 176.094 -0.062 0.000 1.041 362 V CA 1.473 63.757 62.300 -0.026 0.000 1.040 362 V CB -0.950 30.862 31.823 -0.018 0.000 0.671 362 V HN 0.066 nan 8.190 nan 0.000 0.455 363 R N 0.208 120.654 120.500 -0.089 0.000 2.193 363 R HA -0.123 4.217 4.340 0.000 0.000 0.229 363 R C 2.370 178.604 176.300 -0.111 0.000 1.110 363 R CA 1.297 57.334 56.100 -0.106 0.000 0.988 363 R CB -0.060 30.157 30.300 -0.137 0.000 0.871 363 R HN 0.456 nan 8.270 nan 0.000 0.458 364 R N -0.124 120.315 120.500 -0.101 0.000 2.080 364 R HA -0.047 4.293 4.340 0.000 0.000 0.222 364 R C 2.263 178.517 176.300 -0.077 0.000 1.107 364 R CA 0.880 56.939 56.100 -0.069 0.000 0.980 364 R CB -0.379 29.909 30.300 -0.019 0.000 0.879 364 R HN 0.175 nan 8.270 nan 0.000 0.439 365 I N 1.426 121.944 120.570 -0.086 0.000 2.315 365 I HA -0.207 3.963 4.170 0.000 0.000 0.248 365 I C 2.012 178.007 176.117 -0.202 0.000 1.117 365 I CA 1.031 62.237 61.300 -0.157 0.000 1.404 365 I CB -0.245 37.666 38.000 -0.149 0.000 1.071 365 I HN 0.043 nan 8.210 nan 0.000 0.419 366 L N 0.947 122.076 121.223 -0.158 0.000 2.012 366 L HA -0.230 4.110 4.340 0.000 0.000 0.210 366 L C 2.475 179.249 176.870 -0.159 0.000 1.073 366 L CA 2.151 56.890 54.840 -0.167 0.000 0.748 366 L CB -1.081 40.898 42.059 -0.133 0.000 0.891 366 L HN 0.300 nan 8.230 nan 0.000 0.431 367 K N -1.016 119.306 120.400 -0.130 0.000 2.097 367 K HA -0.233 4.087 4.320 0.000 0.000 0.206 367 K C 2.202 178.730 176.600 -0.119 0.000 1.049 367 K CA 1.791 58.011 56.287 -0.112 0.000 0.933 367 K CB -0.157 32.291 32.500 -0.086 0.000 0.717 367 K HN 0.540 nan 8.250 nan 0.000 0.442 368 Q N 0.194 119.912 119.800 -0.137 0.000 2.167 368 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 368 Q C 2.104 177.981 176.000 -0.204 0.000 0.970 368 Q CA 1.119 56.831 55.803 -0.151 0.000 0.855 368 Q CB 0.076 28.716 28.738 -0.163 0.000 0.911 368 Q HN 0.366 nan 8.270 nan 0.000 0.438 369 L N -0.160 120.905 121.223 -0.264 0.000 2.109 369 L HA -0.091 4.249 4.340 0.000 0.000 0.207 369 L C 2.114 178.835 176.870 -0.248 0.000 1.086 369 L CA 0.621 55.255 54.840 -0.343 0.000 0.760 369 L CB -0.172 41.618 42.059 -0.450 0.000 0.910 369 L HN 0.185 nan 8.230 nan 0.000 0.437 370 V N -3.262 116.548 119.914 -0.174 0.000 3.623 370 V HA 0.337 4.457 4.120 0.000 0.000 0.271 370 V C 1.204 177.245 176.094 -0.089 0.000 1.248 370 V CA -0.001 62.229 62.300 -0.117 0.000 1.156 370 V CB -1.140 30.632 31.823 -0.085 0.000 0.870 370 V HN 0.176 nan 8.190 nan 0.000 0.453 371 A N 0.000 122.761 122.820 -0.099 0.000 2.254 371 A HA 0.000 4.320 4.320 0.000 0.000 0.244 371 A CA 0.000 51.994 52.037 -0.072 0.000 0.836 371 A CB 0.000 18.956 19.000 -0.073 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486