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 1vz7_1_B DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWPAGEG GFDRAARAIM TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGMLEP DMATLLTFFA TDARLDPAEQ DRLFRRVMDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE MAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.823 174.700 0.206 0.000 1.109 8 T CA 0.000 62.202 62.100 0.170 0.000 1.349 8 T CB 0.000 68.910 68.868 0.070 0.000 0.612 9 P HA 0.214 nan 4.420 nan 0.000 0.263 9 P C -0.280 177.279 177.300 0.432 0.000 1.195 9 P CA 0.105 63.399 63.100 0.323 0.000 0.762 9 P CB 0.374 32.280 31.700 0.343 0.000 0.799 10 R N 2.532 123.190 120.500 0.263 0.000 2.619 10 R HA 0.124 4.463 4.340 -0.000 0.000 0.268 10 R C 1.554 177.886 176.300 0.054 0.000 0.990 10 R CA 1.189 57.379 56.100 0.149 0.000 1.092 10 R CB -1.138 29.206 30.300 0.073 0.000 0.935 10 R HN 0.905 nan 8.270 nan 0.000 0.415 11 G N 1.968 110.754 108.800 -0.023 0.000 2.272 11 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.280 11 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.280 11 G C -0.621 174.072 174.900 -0.345 0.000 1.067 11 G CA -0.141 44.841 45.100 -0.197 0.000 0.902 11 G HN 0.423 nan 8.290 nan 0.000 0.500 12 F N -0.620 119.386 119.950 0.093 0.000 2.579 12 F HA 0.571 5.098 4.527 -0.000 0.000 0.325 12 F C 0.355 176.167 175.800 0.021 0.000 1.162 12 F CA -0.923 57.128 58.000 0.086 0.000 0.946 12 F CB 2.185 41.307 39.000 0.204 0.000 1.211 12 F HN 0.395 nan 8.300 nan 0.000 0.447 13 V N 1.334 121.365 119.914 0.195 0.000 2.667 13 V HA 0.913 5.033 4.120 -0.000 0.000 0.308 13 V C -0.902 175.169 176.094 -0.038 0.000 1.048 13 V CA -0.927 61.431 62.300 0.097 0.000 0.928 13 V CB 1.670 33.623 31.823 0.218 0.000 1.004 13 V HN 0.399 nan 8.190 nan 0.000 0.444 14 V N 3.362 123.216 119.914 -0.101 0.000 2.540 14 V HA 0.511 4.631 4.120 -0.000 0.000 0.302 14 V C -0.741 175.329 176.094 -0.041 0.000 1.035 14 V CA -0.370 61.831 62.300 -0.165 0.000 0.873 14 V CB 1.387 33.031 31.823 -0.300 0.000 0.992 14 V HN 1.157 nan 8.190 nan 0.000 0.428 15 H N 2.774 121.754 119.070 -0.149 0.000 2.495 15 H HA 0.803 5.359 4.556 -0.000 0.000 0.348 15 H C -0.382 174.892 175.328 -0.089 0.000 1.113 15 H CA -0.130 55.867 56.048 -0.085 0.000 1.195 15 H CB 1.835 31.551 29.762 -0.077 0.000 1.521 15 H HN 0.803 nan 8.280 nan 0.000 0.509 16 T N 2.294 116.502 114.554 -0.578 0.000 2.952 16 T HA 0.856 5.206 4.350 -0.000 0.000 0.305 16 T C -0.905 173.563 174.700 -0.388 0.000 1.064 16 T CA -0.401 61.456 62.100 -0.405 0.000 1.008 16 T CB 1.533 70.277 68.868 -0.206 0.000 1.078 16 T HN 0.887 nan 8.240 nan 0.000 0.459 17 A N 2.561 125.254 122.820 -0.211 0.000 2.566 17 A HA 0.917 5.237 4.320 -0.000 0.000 0.290 17 A C -3.273 174.238 177.584 -0.121 0.000 1.071 17 A CA -1.527 50.408 52.037 -0.170 0.000 0.658 17 A CB 1.299 20.155 19.000 -0.240 0.000 1.285 17 A HN 0.642 nan 8.150 nan 0.000 0.427 18 P HA 0.327 nan 4.420 nan 0.000 0.298 18 P C -0.240 176.943 177.300 -0.196 0.000 1.365 18 P CA -0.073 62.953 63.100 -0.122 0.000 0.835 18 P CB 1.623 33.268 31.700 -0.092 0.000 0.948 19 V N 3.210 123.035 119.914 -0.149 0.000 3.578 19 V HA 0.306 4.425 4.120 -0.000 0.000 0.290 19 V C 1.491 177.526 176.094 -0.099 0.000 1.376 19 V CA 1.048 63.231 62.300 -0.196 0.000 1.083 19 V CB -0.837 30.841 31.823 -0.241 0.000 0.911 19 V HN 0.839 nan 8.190 nan 0.000 0.433 20 G N 0.199 108.966 108.800 -0.055 0.000 2.175 20 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 20 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 20 G C 0.741 175.650 174.900 0.014 0.000 0.982 20 G CA 0.483 45.570 45.100 -0.022 0.000 0.641 20 G HN 0.489 nan 8.290 nan 0.000 0.527 21 L N -0.026 121.219 121.223 0.037 0.000 2.197 21 L HA 0.207 4.546 4.340 -0.000 0.000 0.215 21 L C 1.734 178.640 176.870 0.060 0.000 1.095 21 L CA 1.863 56.752 54.840 0.082 0.000 0.764 21 L CB -0.306 41.821 42.059 0.114 0.000 0.897 21 L HN 0.789 nan 8.230 nan 0.000 0.436 22 A N -1.386 121.455 122.820 0.035 0.000 2.449 22 A HA 0.364 4.684 4.320 -0.000 0.000 0.302 22 A C -0.858 176.733 177.584 0.010 0.000 1.048 22 A CA -0.594 51.457 52.037 0.024 0.000 0.708 22 A CB 1.051 20.064 19.000 0.022 0.000 1.274 22 A HN -0.016 nan 8.150 nan 0.000 0.410 23 D N 1.624 122.028 120.400 0.007 0.000 2.934 23 D HA 0.215 4.855 4.640 -0.000 0.000 0.237 23 D C 0.078 176.377 176.300 -0.002 0.000 1.158 23 D CA 0.508 54.509 54.000 0.001 0.000 0.971 23 D CB 0.034 40.835 40.800 0.002 0.000 1.123 23 D HN 0.486 nan 8.370 nan 0.000 0.467 24 D N -1.106 119.291 120.400 -0.004 0.000 2.525 24 D HA 0.151 4.791 4.640 -0.000 0.000 0.231 24 D C 1.355 177.649 176.300 -0.011 0.000 1.216 24 D CA -0.005 53.992 54.000 -0.006 0.000 0.813 24 D CB -0.350 40.449 40.800 -0.003 0.000 1.108 24 D HN 0.120 nan 8.370 nan 0.000 0.524 25 G N 1.113 109.903 108.800 -0.016 0.000 2.305 25 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.287 25 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.287 25 G C 0.152 175.037 174.900 -0.026 0.000 1.036 25 G CA 0.294 45.380 45.100 -0.024 0.000 0.887 25 G HN 0.485 nan 8.290 nan 0.000 0.505 26 R N -0.065 120.421 120.500 -0.023 0.000 2.787 26 R HA 0.390 4.730 4.340 -0.000 0.000 0.271 26 R C -0.808 175.476 176.300 -0.028 0.000 0.993 26 R CA -0.823 55.264 56.100 -0.022 0.000 0.993 26 R CB 0.714 31.007 30.300 -0.011 0.000 1.155 26 R HN 0.088 nan 8.270 nan 0.000 0.486 27 D N 1.739 122.120 120.400 -0.033 0.000 2.389 27 D HA 0.011 4.651 4.640 -0.000 0.000 0.263 27 D C 0.181 176.469 176.300 -0.020 0.000 1.255 27 D CA 0.765 54.740 54.000 -0.042 0.000 0.914 27 D CB 0.655 41.421 40.800 -0.056 0.000 1.116 27 D HN 0.403 nan 8.370 nan 0.000 0.502 28 D N 0.860 121.262 120.400 0.004 0.000 2.520 28 D HA 0.044 4.684 4.640 -0.000 0.000 0.223 28 D C -0.276 176.064 176.300 0.067 0.000 1.186 28 D CA -0.485 53.533 54.000 0.031 0.000 0.821 28 D CB -0.156 40.671 40.800 0.045 0.000 1.072 28 D HN 0.256 nan 8.370 nan 0.000 0.518 29 F N 2.067 121.961 119.950 -0.094 0.000 2.402 29 F HA 0.601 5.128 4.527 -0.000 0.000 0.355 29 F C -0.967 174.777 175.800 -0.094 0.000 1.123 29 F CA -0.280 57.671 58.000 -0.081 0.000 1.021 29 F CB 1.593 40.545 39.000 -0.080 0.000 1.160 29 F HN -0.265 nan 8.300 nan 0.000 0.451 30 T N 5.496 119.646 114.554 -0.673 0.000 2.861 30 T HA 0.668 5.018 4.350 -0.000 0.000 0.287 30 T C -1.173 173.149 174.700 -0.631 0.000 1.003 30 T CA -0.708 61.071 62.100 -0.534 0.000 0.977 30 T CB 1.851 70.533 68.868 -0.310 0.000 0.996 30 T HN 0.306 nan 8.240 nan 0.000 0.448 31 V N 3.550 123.209 119.914 -0.425 0.000 2.525 31 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 31 V C -1.086 174.858 176.094 -0.250 0.000 1.034 31 V CA -0.823 61.279 62.300 -0.331 0.000 0.863 31 V CB 1.761 33.451 31.823 -0.222 0.000 0.999 31 V HN 0.732 nan 8.190 nan 0.000 0.423 32 L N 5.018 126.076 121.223 -0.274 0.000 2.325 32 L HA 0.974 5.314 4.340 -0.000 0.000 0.281 32 L C -0.105 176.640 176.870 -0.209 0.000 1.004 32 L CA -0.126 54.575 54.840 -0.232 0.000 0.823 32 L CB 1.293 43.201 42.059 -0.251 0.000 1.236 32 L HN 0.798 nan 8.230 nan 0.000 0.415 33 A N 3.045 125.799 122.820 -0.110 0.000 2.449 33 A HA 0.736 5.056 4.320 -0.000 0.000 0.302 33 A C -1.030 176.606 177.584 0.087 0.000 1.048 33 A CA -0.540 51.439 52.037 -0.096 0.000 0.708 33 A CB 1.753 20.627 19.000 -0.210 0.000 1.274 33 A HN 0.612 nan 8.150 nan 0.000 0.410 34 S N 0.598 116.274 115.700 -0.039 0.000 2.438 34 S HA 0.385 4.854 4.470 -0.000 0.000 0.293 34 S C 1.545 176.099 174.600 -0.076 0.000 1.141 34 S CA 0.195 58.241 58.200 -0.258 0.000 1.080 34 S CB 0.358 63.264 63.200 -0.489 0.000 0.978 34 S HN 1.226 nan 8.310 nan 0.000 0.479 35 T N 2.920 117.407 114.554 -0.112 0.000 2.849 35 T HA 0.069 4.418 4.350 -0.000 0.000 0.270 35 T C 0.755 175.344 174.700 -0.186 0.000 1.066 35 T CA 0.911 62.885 62.100 -0.210 0.000 1.130 35 T CB -0.225 68.432 68.868 -0.351 0.000 0.864 35 T HN 0.680 nan 8.240 nan 0.000 0.481 36 A N 1.740 124.447 122.820 -0.189 0.000 2.322 36 A HA 0.730 5.050 4.320 -0.000 0.000 0.327 36 A C -2.853 174.672 177.584 -0.099 0.000 1.134 36 A CA -2.491 49.462 52.037 -0.138 0.000 0.831 36 A CB 0.768 19.681 19.000 -0.145 0.000 1.288 36 A HN 0.142 nan 8.150 nan 0.000 0.472 37 P HA 0.328 nan 4.420 nan 0.000 0.264 37 P C -0.592 176.707 177.300 -0.001 0.000 1.193 37 P CA 0.633 63.725 63.100 -0.013 0.000 0.763 37 P CB 0.839 32.537 31.700 -0.003 0.000 0.810 38 A N 2.862 125.714 122.820 0.052 0.000 2.423 38 A HA 0.728 5.048 4.320 -0.000 0.000 0.304 38 A C -0.323 177.364 177.584 0.171 0.000 1.104 38 A CA -0.398 51.714 52.037 0.125 0.000 0.757 38 A CB 1.018 20.145 19.000 0.211 0.000 1.313 38 A HN 0.391 nan 8.150 nan 0.000 0.423 39 T N 0.475 115.124 114.554 0.158 0.000 2.907 39 T HA 0.547 4.897 4.350 -0.000 0.000 0.284 39 T C -0.598 174.171 174.700 0.116 0.000 1.004 39 T CA -0.269 61.895 62.100 0.106 0.000 1.063 39 T CB 1.367 70.260 68.868 0.041 0.000 0.992 39 T HN 0.849 nan 8.240 nan 0.000 0.483 40 V N 1.749 121.679 119.914 0.027 0.000 2.914 40 V HA 0.791 4.911 4.120 -0.000 0.000 0.314 40 V C -1.079 174.878 176.094 -0.229 0.000 1.084 40 V CA -0.365 61.848 62.300 -0.145 0.000 0.963 40 V CB 2.498 34.245 31.823 -0.127 0.000 1.025 40 V HN 0.939 nan 8.190 nan 0.000 0.432 41 S N 3.388 118.806 115.700 -0.471 0.000 2.575 41 S HA 0.944 5.414 4.470 -0.000 0.000 0.278 41 S C -0.610 173.463 174.600 -0.878 0.000 1.139 41 S CA 0.076 57.919 58.200 -0.595 0.000 0.954 41 S CB 1.636 64.363 63.200 -0.789 0.000 1.054 41 S HN 1.407 nan 8.310 nan 0.000 0.483 42 A N 1.781 124.365 122.820 -0.392 0.000 2.568 42 A HA 0.975 5.295 4.320 -0.000 0.000 0.291 42 A C -1.288 176.159 177.584 -0.228 0.000 1.159 42 A CA -0.818 51.038 52.037 -0.301 0.000 0.679 42 A CB 1.128 19.922 19.000 -0.343 0.000 1.285 42 A HN 1.613 nan 8.150 nan 0.000 0.428 43 V N -2.751 116.734 119.914 -0.715 0.000 3.077 43 V HA 0.931 5.051 4.120 -0.000 0.000 0.299 43 V C -1.440 174.022 176.094 -1.054 0.000 1.276 43 V CA -0.982 60.955 62.300 -0.605 0.000 0.993 43 V CB 1.191 32.912 31.823 -0.170 0.000 1.076 43 V HN 1.114 nan 8.190 nan 0.000 0.434 44 F N -0.273 119.704 119.950 0.045 0.000 2.626 44 F HA 0.769 5.296 4.527 -0.000 0.000 0.311 44 F C 0.497 176.317 175.800 0.033 0.000 1.088 44 F CA -0.760 57.260 58.000 0.033 0.000 0.949 44 F CB 1.681 40.705 39.000 0.040 0.000 1.322 44 F HN 0.744 nan 8.300 nan 0.000 0.461 45 T N 0.575 115.254 114.554 0.208 0.000 2.934 45 T HA 0.112 4.462 4.350 -0.000 0.000 0.306 45 T C 0.864 175.649 174.700 0.141 0.000 1.042 45 T CA 0.042 62.224 62.100 0.137 0.000 1.145 45 T CB 0.256 69.192 68.868 0.113 0.000 0.982 45 T HN 0.666 nan 8.240 nan 0.000 0.544 46 R N 3.118 123.682 120.500 0.107 0.000 2.449 46 R HA 0.162 4.502 4.340 -0.000 0.000 0.262 46 R C 0.944 177.296 176.300 0.086 0.000 1.006 46 R CA -0.243 55.913 56.100 0.093 0.000 1.104 46 R CB 0.038 30.384 30.300 0.077 0.000 1.206 46 R HN 0.563 nan 8.270 nan 0.000 0.538 47 S N 0.968 116.726 115.700 0.097 0.000 2.642 47 S HA -0.082 4.388 4.470 -0.000 0.000 0.308 47 S C 1.438 176.120 174.600 0.136 0.000 1.255 47 S CA -0.188 58.079 58.200 0.111 0.000 1.057 47 S CB 0.455 63.728 63.200 0.122 0.000 0.785 47 S HN 0.279 nan 8.310 nan 0.000 0.500 48 R N 3.064 123.666 120.500 0.171 0.000 2.152 48 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 48 R C 0.340 176.796 176.300 0.261 0.000 1.117 48 R CA 1.212 57.434 56.100 0.204 0.000 0.981 48 R CB -0.410 30.041 30.300 0.252 0.000 0.870 48 R HN 0.670 nan 8.270 nan 0.000 0.451 49 F N 0.386 120.344 119.950 0.013 0.000 2.983 49 F HA 0.371 4.897 4.527 -0.000 0.000 0.307 49 F C 0.421 176.228 175.800 0.012 0.000 1.218 49 F CA -1.205 56.801 58.000 0.009 0.000 1.323 49 F CB -0.157 38.848 39.000 0.008 0.000 0.989 49 F HN -0.173 nan 8.300 nan 0.000 0.509 50 A N 0.488 123.387 122.820 0.131 0.000 2.520 50 A HA 0.465 4.785 4.320 -0.000 0.000 0.245 50 A C 1.121 178.735 177.584 0.051 0.000 1.072 50 A CA 0.326 52.417 52.037 0.089 0.000 0.761 50 A CB -0.241 18.797 19.000 0.062 0.000 1.004 50 A HN 0.496 nan 8.150 nan 0.000 0.499 51 G N 2.303 111.137 108.800 0.058 0.000 2.594 51 G HA2 0.387 4.347 3.960 -0.000 0.000 0.243 51 G HA3 0.387 4.347 3.960 -0.000 0.000 0.243 51 G C -0.868 174.037 174.900 0.008 0.000 1.229 51 G CA -0.496 44.622 45.100 0.031 0.000 0.843 51 G HN 0.562 nan 8.290 nan 0.000 0.578 52 P HA -0.092 nan 4.420 nan 0.000 0.218 52 P C 1.842 179.142 177.300 0.001 0.000 1.149 52 P CA 1.092 64.186 63.100 -0.010 0.000 0.817 52 P CB 0.230 31.925 31.700 -0.008 0.000 0.785 53 S N -0.245 115.472 115.700 0.030 0.000 2.400 53 S HA -0.084 4.386 4.470 -0.000 0.000 0.232 53 S C 2.011 176.617 174.600 0.009 0.000 1.025 53 S CA 1.146 59.379 58.200 0.054 0.000 0.993 53 S CB -0.937 62.329 63.200 0.109 0.000 0.808 53 S HN 0.011 nan 8.310 nan 0.000 0.478 54 V N 0.987 120.893 119.914 -0.013 0.000 2.379 54 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 54 V C 2.252 178.198 176.094 -0.247 0.000 1.044 54 V CA 1.225 63.462 62.300 -0.106 0.000 1.036 54 V CB -0.730 31.081 31.823 -0.021 0.000 0.664 54 V HN 0.337 nan 8.190 nan 0.000 0.453 55 V N 0.086 119.916 119.914 -0.139 0.000 2.295 55 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 55 V C 2.353 178.359 176.094 -0.147 0.000 1.049 55 V CA 2.019 64.237 62.300 -0.138 0.000 1.024 55 V CB -0.619 31.160 31.823 -0.074 0.000 0.648 55 V HN 0.427 nan 8.190 nan 0.000 0.447 56 L N -0.759 120.406 121.223 -0.097 0.000 2.012 56 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 56 L C 2.728 179.543 176.870 -0.092 0.000 1.073 56 L CA 1.815 56.617 54.840 -0.063 0.000 0.748 56 L CB -0.931 41.119 42.059 -0.014 0.000 0.891 56 L HN 0.379 nan 8.230 nan 0.000 0.431 57 C N -0.050 119.166 119.300 -0.140 0.000 2.388 57 C HA -0.192 4.268 4.460 -0.000 0.000 0.277 57 C C 2.938 177.767 174.990 -0.269 0.000 1.210 57 C CA 0.919 59.849 59.018 -0.147 0.000 1.743 57 C CB -1.049 26.611 27.740 -0.133 0.000 2.047 57 C HN 0.459 nan 8.230 nan 0.000 0.458 58 R N 0.900 121.039 120.500 -0.603 0.000 2.115 58 R HA -0.206 4.133 4.340 -0.000 0.000 0.239 58 R C 2.071 178.296 176.300 -0.125 0.000 1.133 58 R CA 2.050 57.901 56.100 -0.414 0.000 0.935 58 R CB -0.556 29.513 30.300 -0.384 0.000 0.853 58 R HN 0.685 nan 8.270 nan 0.000 0.433 59 E N 0.498 120.634 120.200 -0.106 0.000 2.058 59 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 59 E C 1.879 178.475 176.600 -0.008 0.000 0.997 59 E CA 1.210 57.586 56.400 -0.040 0.000 0.801 59 E CB -0.172 29.507 29.700 -0.035 0.000 0.746 59 E HN 0.415 nan 8.360 nan 0.000 0.450 60 A N 1.041 123.859 122.820 -0.004 0.000 2.239 60 A HA -0.027 4.293 4.320 -0.000 0.000 0.209 60 A C 1.943 179.569 177.584 0.070 0.000 1.171 60 A CA 1.027 53.086 52.037 0.037 0.000 0.768 60 A CB -0.233 18.796 19.000 0.049 0.000 0.790 60 A HN 0.232 nan 8.150 nan 0.000 0.478 61 V N -5.863 114.092 119.914 0.067 0.000 3.382 61 V HA 0.535 4.655 4.120 -0.000 0.000 0.296 61 V C 1.687 177.824 176.094 0.072 0.000 1.529 61 V CA 0.612 62.966 62.300 0.091 0.000 1.048 61 V CB -0.574 31.332 31.823 0.137 0.000 0.878 61 V HN 0.310 nan 8.190 nan 0.000 0.442 62 A N 2.499 125.352 122.820 0.054 0.000 1.873 62 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 62 A C 1.980 179.590 177.584 0.043 0.000 1.193 62 A CA 2.452 54.517 52.037 0.046 0.000 0.629 62 A CB -0.859 18.160 19.000 0.031 0.000 0.826 62 A HN 0.809 nan 8.150 nan 0.000 0.447 63 D N -1.403 119.022 120.400 0.041 0.000 2.350 63 D HA 0.108 4.747 4.640 -0.000 0.000 0.216 63 D C 1.290 177.615 176.300 0.041 0.000 0.968 63 D CA 1.509 55.531 54.000 0.038 0.000 0.894 63 D CB -0.692 40.130 40.800 0.037 0.000 0.909 63 D HN 1.017 nan 8.370 nan 0.000 0.520 64 G N 0.155 108.983 108.800 0.047 0.000 2.176 64 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 64 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 64 G C 0.149 175.084 174.900 0.058 0.000 0.979 64 G CA 0.399 45.524 45.100 0.042 0.000 0.641 64 G HN 0.625 nan 8.290 nan 0.000 0.530 65 Q N 0.568 120.411 119.800 0.073 0.000 2.372 65 Q HA 0.762 5.102 4.340 -0.000 0.000 0.259 65 Q C -0.062 176.018 176.000 0.134 0.000 0.993 65 Q CA 0.562 56.421 55.803 0.093 0.000 0.854 65 Q CB 1.204 29.982 28.738 0.067 0.000 1.231 65 Q HN 1.179 nan 8.270 nan 0.000 0.462 66 A N 3.565 126.512 122.820 0.211 0.000 2.515 66 A HA 0.721 5.041 4.320 -0.000 0.000 0.296 66 A C -0.347 177.400 177.584 0.271 0.000 1.094 66 A CA -0.635 51.585 52.037 0.304 0.000 0.718 66 A CB 1.548 20.860 19.000 0.519 0.000 1.307 66 A HN 0.707 nan 8.150 nan 0.000 0.408 67 R N -0.039 120.528 120.500 0.111 0.000 2.394 67 R HA 0.379 4.719 4.340 -0.000 0.000 0.220 67 R C 0.653 176.712 176.300 -0.401 0.000 0.887 67 R CA 0.995 57.047 56.100 -0.080 0.000 1.034 67 R CB 1.253 31.547 30.300 -0.011 0.000 1.179 67 R HN 1.243 nan 8.270 nan 0.000 0.561 68 G N -0.372 108.125 108.800 -0.505 0.000 2.321 68 G HA2 0.271 4.231 3.960 -0.000 0.000 0.296 68 G HA3 0.271 4.231 3.960 -0.000 0.000 0.296 68 G C -1.979 172.829 174.900 -0.153 0.000 1.287 68 G CA -0.174 44.514 45.100 -0.685 0.000 0.846 68 G HN -0.004 nan 8.290 nan 0.000 0.508 69 V N -0.956 118.878 119.914 -0.132 0.000 2.971 69 V HA 0.821 4.941 4.120 -0.000 0.000 0.309 69 V C -1.057 174.918 176.094 -0.198 0.000 1.130 69 V CA -0.558 61.712 62.300 -0.051 0.000 0.964 69 V CB 1.769 33.590 31.823 -0.003 0.000 1.029 69 V HN 1.607 nan 8.190 nan 0.000 0.427 70 V N 6.437 126.259 119.914 -0.153 0.000 2.581 70 V HA 0.885 5.005 4.120 -0.000 0.000 0.303 70 V C -0.989 174.985 176.094 -0.200 0.000 1.041 70 V CA -0.018 62.138 62.300 -0.241 0.000 0.907 70 V CB 1.983 33.723 31.823 -0.137 0.000 0.994 70 V HN 0.869 nan 8.190 nan 0.000 0.442 71 V N 6.491 126.228 119.914 -0.296 0.000 2.888 71 V HA 0.594 4.714 4.120 -0.000 0.000 0.309 71 V C -1.160 174.868 176.094 -0.110 0.000 1.114 71 V CA -0.635 61.583 62.300 -0.137 0.000 0.940 71 V CB 1.899 33.645 31.823 -0.128 0.000 1.021 71 V HN 0.773 nan 8.190 nan 0.000 0.426 72 L N 3.261 124.518 121.223 0.056 0.000 2.365 72 L HA 0.940 5.279 4.340 -0.000 0.000 0.273 72 L C 0.100 177.060 176.870 0.150 0.000 1.000 72 L CA -0.340 54.570 54.840 0.118 0.000 0.819 72 L CB 1.892 44.039 42.059 0.147 0.000 1.284 72 L HN 0.799 nan 8.230 nan 0.000 0.418 73 A N 1.912 124.805 122.820 0.120 0.000 2.355 73 A HA 0.904 5.223 4.320 -0.000 0.000 0.324 73 A C 0.282 177.930 177.584 0.107 0.000 1.117 73 A CA -0.448 51.653 52.037 0.106 0.000 0.785 73 A CB 0.999 20.040 19.000 0.069 0.000 1.254 73 A HN 0.732 nan 8.150 nan 0.000 0.453 74 R N -1.014 119.542 120.500 0.093 0.000 3.763 74 R HA -0.149 4.191 4.340 -0.000 0.000 0.449 74 R C -0.421 175.931 176.300 0.087 0.000 1.030 74 R CA 1.504 57.649 56.100 0.075 0.000 1.126 74 R CB -2.155 28.183 30.300 0.063 0.000 1.786 74 R HN 0.947 nan 8.270 nan 0.000 0.522 75 N N -1.393 117.378 118.700 0.118 0.000 2.976 75 N HA 0.457 5.197 4.740 -0.000 0.000 0.249 75 N C 0.207 175.764 175.510 0.078 0.000 1.258 75 N CA 0.457 53.563 53.050 0.093 0.000 0.864 75 N CB 0.879 39.466 38.487 0.167 0.000 1.551 75 N HN 0.139 nan 8.380 nan 0.000 0.607 76 A N 3.013 125.843 122.820 0.017 0.000 2.167 76 A HA 0.020 4.339 4.320 -0.000 0.000 0.214 76 A C 0.911 178.444 177.584 -0.085 0.000 1.151 76 A CA 0.826 52.874 52.037 0.017 0.000 0.735 76 A CB -0.452 18.566 19.000 0.031 0.000 0.802 76 A HN 0.906 nan 8.150 nan 0.000 0.467 77 N N -1.275 117.273 118.700 -0.254 0.000 2.641 77 N HA -0.145 4.595 4.740 -0.000 0.000 0.267 77 N C -1.091 174.325 175.510 -0.157 0.000 1.087 77 N CA 0.904 53.718 53.050 -0.393 0.000 0.731 77 N CB -1.469 36.547 38.487 -0.786 0.000 0.886 77 N HN 0.215 nan 8.380 nan 0.000 0.547 78 V N 1.242 121.107 119.914 -0.082 0.000 2.789 78 V HA 0.819 4.939 4.120 -0.000 0.000 0.311 78 V C 0.812 176.918 176.094 0.019 0.000 1.073 78 V CA -0.282 62.014 62.300 -0.006 0.000 0.921 78 V CB 1.431 33.279 31.823 0.041 0.000 1.009 78 V HN 1.030 nan 8.190 nan 0.000 0.426 79 A N 3.093 125.934 122.820 0.034 0.000 2.791 79 A HA -0.172 4.148 4.320 -0.000 0.000 0.292 79 A C 0.996 178.583 177.584 0.005 0.000 1.487 79 A CA 1.282 53.346 52.037 0.044 0.000 0.760 79 A CB -2.018 17.076 19.000 0.156 0.000 1.031 79 A HN 1.505 nan 8.150 nan 0.000 0.503 80 T N -2.481 112.056 114.554 -0.028 0.000 3.122 80 T HA 0.504 4.854 4.350 -0.000 0.000 0.250 80 T C 2.046 176.727 174.700 -0.032 0.000 1.067 80 T CA 1.064 63.140 62.100 -0.041 0.000 0.966 80 T CB 0.024 68.843 68.868 -0.082 0.000 1.002 80 T HN 2.522 nan 8.240 nan 0.000 0.542 81 G N 1.999 110.780 108.800 -0.031 0.000 2.552 81 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.265 81 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.265 81 G C 0.452 175.336 174.900 -0.027 0.000 1.234 81 G CA 0.088 45.170 45.100 -0.030 0.000 0.944 81 G HN 0.601 nan 8.290 nan 0.000 0.568 82 L N 0.145 121.356 121.223 -0.020 0.000 2.068 82 L HA 0.226 4.566 4.340 -0.000 0.000 0.204 82 L C 2.712 179.579 176.870 -0.005 0.000 1.076 82 L CA 2.542 57.373 54.840 -0.014 0.000 0.753 82 L CB -0.600 41.452 42.059 -0.011 0.000 0.910 82 L HN 0.893 nan 8.230 nan 0.000 0.439 83 E N -0.273 119.925 120.200 -0.003 0.000 2.086 83 E HA -0.275 4.075 4.350 -0.000 0.000 0.205 83 E C 2.040 178.646 176.600 0.011 0.000 1.027 83 E CA 1.764 58.168 56.400 0.007 0.000 0.830 83 E CB -0.661 29.043 29.700 0.007 0.000 0.751 83 E HN 0.637 nan 8.360 nan 0.000 0.456 84 G N 0.574 109.369 108.800 -0.008 0.000 2.514 84 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 84 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 84 G C 1.355 176.257 174.900 0.002 0.000 1.198 84 G CA 1.164 46.249 45.100 -0.025 0.000 0.780 84 G HN 0.407 nan 8.290 nan 0.000 0.565 85 E N 0.455 120.653 120.200 -0.003 0.000 2.086 85 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 85 E C 2.480 179.096 176.600 0.026 0.000 1.012 85 E CA 1.376 57.780 56.400 0.006 0.000 0.812 85 E CB -0.166 29.530 29.700 -0.007 0.000 0.743 85 E HN 0.621 nan 8.360 nan 0.000 0.453 86 E N 0.357 120.572 120.200 0.025 0.000 2.204 86 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 86 E C 1.821 178.454 176.600 0.056 0.000 0.989 86 E CA 0.494 56.914 56.400 0.032 0.000 0.824 86 E CB -0.078 29.636 29.700 0.023 0.000 0.756 86 E HN 0.265 nan 8.360 nan 0.000 0.477 87 N N 1.127 119.878 118.700 0.084 0.000 2.216 87 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 87 N C 1.850 177.469 175.510 0.183 0.000 1.017 87 N CA 1.138 54.276 53.050 0.147 0.000 0.861 87 N CB -0.200 38.426 38.487 0.231 0.000 0.986 87 N HN 0.110 nan 8.380 nan 0.000 0.428 88 A N 1.645 124.571 122.820 0.177 0.000 1.902 88 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 88 A C 2.251 179.900 177.584 0.108 0.000 1.181 88 A CA 1.044 53.190 52.037 0.182 0.000 0.623 88 A CB -0.374 18.707 19.000 0.135 0.000 0.818 88 A HN 0.185 nan 8.150 nan 0.000 0.443 89 R N -0.933 119.610 120.500 0.072 0.000 2.148 89 R HA -0.061 4.278 4.340 -0.000 0.000 0.223 89 R C 2.158 178.480 176.300 0.037 0.000 1.088 89 R CA 1.208 57.335 56.100 0.045 0.000 0.985 89 R CB -0.094 30.224 30.300 0.029 0.000 0.880 89 R HN 0.769 nan 8.270 nan 0.000 0.451 90 E N 0.269 120.495 120.200 0.043 0.000 2.042 90 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 90 E C 1.703 178.314 176.600 0.017 0.000 0.974 90 E CA 0.738 57.152 56.400 0.024 0.000 0.806 90 E CB 0.282 29.996 29.700 0.023 0.000 0.769 90 E HN 0.021 nan 8.360 nan 0.000 0.451 91 V N 2.062 121.994 119.914 0.031 0.000 2.982 91 V HA -0.202 3.918 4.120 -0.000 0.000 0.265 91 V C 2.380 178.502 176.094 0.045 0.000 1.122 91 V CA 1.296 63.609 62.300 0.022 0.000 1.143 91 V CB -0.652 31.175 31.823 0.006 0.000 0.726 91 V HN 0.217 nan 8.190 nan 0.000 0.507 92 R N 0.639 121.164 120.500 0.042 0.000 2.033 92 R HA -0.017 4.323 4.340 -0.000 0.000 0.219 92 R C 2.561 178.866 176.300 0.009 0.000 1.223 92 R CA 1.589 57.709 56.100 0.034 0.000 0.971 92 R CB -0.697 29.628 30.300 0.042 0.000 0.855 92 R HN 0.466 nan 8.270 nan 0.000 0.452 93 E N 1.012 121.216 120.200 0.006 0.000 2.114 93 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 93 E C 1.907 178.493 176.600 -0.023 0.000 1.008 93 E CA 2.003 58.399 56.400 -0.006 0.000 0.810 93 E CB -0.995 28.703 29.700 -0.003 0.000 0.739 93 E HN 0.610 nan 8.360 nan 0.000 0.456 94 A N 0.344 123.150 122.820 -0.023 0.000 1.870 94 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 94 A C 2.771 180.315 177.584 -0.066 0.000 1.224 94 A CA 2.852 54.863 52.037 -0.044 0.000 0.650 94 A CB -1.032 17.941 19.000 -0.045 0.000 0.836 94 A HN 0.742 nan 8.150 nan 0.000 0.454 95 V N -0.139 119.744 119.914 -0.053 0.000 2.332 95 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 95 V C 3.035 179.046 176.094 -0.138 0.000 1.055 95 V CA 2.189 64.433 62.300 -0.093 0.000 1.038 95 V CB -1.510 30.283 31.823 -0.050 0.000 0.651 95 V HN 0.688 nan 8.190 nan 0.000 0.450 96 A N 0.234 123.000 122.820 -0.090 0.000 1.908 96 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 96 A C 2.522 180.063 177.584 -0.071 0.000 1.181 96 A CA 2.689 54.679 52.037 -0.079 0.000 0.627 96 A CB -0.658 18.320 19.000 -0.036 0.000 0.818 96 A HN 0.552 nan 8.150 nan 0.000 0.445 97 R N -0.868 119.594 120.500 -0.062 0.000 2.119 97 R HA 0.371 4.711 4.340 -0.000 0.000 0.222 97 R C 2.362 178.622 176.300 -0.065 0.000 1.088 97 R CA 1.717 57.788 56.100 -0.048 0.000 0.984 97 R CB -1.506 28.770 30.300 -0.040 0.000 0.884 97 R HN 0.888 nan 8.270 nan 0.000 0.447 98 A N 0.066 122.820 122.820 -0.111 0.000 2.167 98 A HA 0.309 4.629 4.320 -0.000 0.000 0.214 98 A C 1.847 179.322 177.584 -0.182 0.000 1.151 98 A CA 0.805 52.760 52.037 -0.138 0.000 0.735 98 A CB 0.041 18.932 19.000 -0.182 0.000 0.802 98 A HN 0.406 nan 8.150 nan 0.000 0.467 99 L N -1.208 119.880 121.223 -0.225 0.000 2.808 99 L HA 0.278 4.618 4.340 -0.000 0.000 0.246 99 L C 1.175 178.108 176.870 0.104 0.000 1.153 99 L CA 0.257 54.888 54.840 -0.349 0.000 0.956 99 L CB 0.066 41.662 42.059 -0.772 0.000 1.270 99 L HN 0.464 nan 8.230 nan 0.000 0.528 100 G N 1.731 110.578 108.800 0.079 0.000 2.351 100 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.297 100 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.297 100 G C -0.409 174.563 174.900 0.121 0.000 1.054 100 G CA 0.225 45.398 45.100 0.123 0.000 1.123 100 G HN 0.248 nan 8.290 nan 0.000 0.512 101 L N 0.077 121.331 121.223 0.053 0.000 2.359 101 L HA 0.609 4.949 4.340 -0.000 0.000 0.256 101 L C -1.982 174.900 176.870 0.020 0.000 1.026 101 L CA -2.387 52.480 54.840 0.044 0.000 0.828 101 L CB 2.781 44.855 42.059 0.024 0.000 1.406 101 L HN 0.048 nan 8.230 nan 0.000 0.413 102 P HA 0.063 nan 4.420 nan 0.000 0.276 102 P C -0.023 177.287 177.300 0.016 0.000 1.230 102 P CA -0.130 62.982 63.100 0.020 0.000 0.776 102 P CB 1.185 32.902 31.700 0.027 0.000 0.888 103 E N 2.496 122.703 120.200 0.012 0.000 2.267 103 E HA -0.149 4.200 4.350 -0.000 0.000 0.197 103 E C 1.688 178.301 176.600 0.021 0.000 0.998 103 E CA 1.473 57.879 56.400 0.011 0.000 0.830 103 E CB -0.376 29.329 29.700 0.008 0.000 0.751 103 E HN 0.723 nan 8.360 nan 0.000 0.491 104 G N -0.127 108.690 108.800 0.028 0.000 2.838 104 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.210 104 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.210 104 G C 0.772 175.706 174.900 0.057 0.000 1.153 104 G CA -0.211 44.912 45.100 0.038 0.000 0.778 104 G HN 0.181 nan 8.290 nan 0.000 0.539 105 E N -0.295 119.940 120.200 0.058 0.000 2.423 105 E HA 0.273 4.622 4.350 -0.000 0.000 0.198 105 E C -0.436 176.217 176.600 0.088 0.000 1.038 105 E CA -0.297 56.154 56.400 0.085 0.000 1.011 105 E CB 0.388 30.131 29.700 0.072 0.000 1.118 105 E HN 0.208 nan 8.360 nan 0.000 0.451 106 M N 1.690 121.337 119.600 0.078 0.000 2.124 106 M HA 0.276 4.756 4.480 -0.000 0.000 0.280 106 M C -1.648 174.711 176.300 0.099 0.000 0.954 106 M CA -0.487 54.852 55.300 0.065 0.000 0.958 106 M CB 0.885 33.489 32.600 0.006 0.000 1.611 106 M HN -0.098 nan 8.290 nan 0.000 0.449 107 L N 4.429 125.752 121.223 0.166 0.000 2.454 107 L HA 0.608 4.947 4.340 -0.000 0.000 0.256 107 L C -0.283 176.661 176.870 0.123 0.000 1.136 107 L CA -0.867 54.077 54.840 0.174 0.000 0.804 107 L CB 1.165 43.390 42.059 0.278 0.000 1.181 107 L HN 0.770 nan 8.230 nan 0.000 0.469 108 I N 0.505 121.153 120.570 0.129 0.000 2.607 108 I HA 0.630 4.800 4.170 -0.000 0.000 0.290 108 I C -1.180 175.033 176.117 0.160 0.000 1.129 108 I CA -0.328 61.039 61.300 0.112 0.000 1.042 108 I CB 1.870 39.932 38.000 0.103 0.000 1.242 108 I HN 0.696 nan 8.210 nan 0.000 0.421 109 A N 4.943 127.861 122.820 0.163 0.000 2.393 109 A HA 0.799 5.118 4.320 -0.000 0.000 0.306 109 A C -1.207 176.499 177.584 0.203 0.000 1.050 109 A CA -0.467 51.704 52.037 0.223 0.000 0.724 109 A CB 1.945 21.153 19.000 0.347 0.000 1.248 109 A HN 0.587 nan 8.150 nan 0.000 0.424 110 S N 0.441 116.265 115.700 0.207 0.000 2.536 110 S HA 0.855 5.325 4.470 -0.000 0.000 0.287 110 S C -0.787 173.908 174.600 0.159 0.000 1.101 110 S CA -0.211 58.118 58.200 0.214 0.000 0.950 110 S CB 1.802 65.156 63.200 0.257 0.000 1.056 110 S HN 1.199 nan 8.310 nan 0.000 0.481 111 T N 2.239 116.881 114.554 0.147 0.000 2.956 111 T HA 0.766 5.116 4.350 -0.000 0.000 0.312 111 T C -0.073 174.681 174.700 0.091 0.000 1.151 111 T CA 0.674 62.838 62.100 0.107 0.000 1.024 111 T CB 0.931 69.861 68.868 0.104 0.000 1.140 111 T HN 1.541 nan 8.240 nan 0.000 0.473 112 G N 1.682 110.520 108.800 0.064 0.000 2.247 112 G HA2 0.247 4.207 3.960 -0.000 0.000 0.229 112 G HA3 0.247 4.207 3.960 -0.000 0.000 0.229 112 G C -0.309 174.609 174.900 0.030 0.000 1.345 112 G CA 0.001 45.131 45.100 0.049 0.000 1.100 112 G HN 1.674 nan 8.290 nan 0.000 0.473 113 V N -0.291 119.637 119.914 0.022 0.000 3.178 113 V HA 0.586 4.706 4.120 -0.000 0.000 0.306 113 V C 0.816 176.910 176.094 0.001 0.000 1.107 113 V CA -0.189 62.116 62.300 0.009 0.000 1.195 113 V CB 0.503 32.331 31.823 0.007 0.000 0.993 113 V HN 0.754 nan 8.190 nan 0.000 0.493 114 I N 2.643 123.213 120.570 0.001 0.000 2.460 114 I HA 0.654 4.824 4.170 -0.000 0.000 0.298 114 I C 1.272 177.390 176.117 0.001 0.000 0.989 114 I CA 0.066 61.368 61.300 0.004 0.000 1.173 114 I CB 1.380 39.391 38.000 0.019 0.000 1.338 114 I HN 1.086 nan 8.210 nan 0.000 0.456 115 G N 3.046 111.845 108.800 -0.003 0.000 2.155 115 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 115 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 115 G C 0.281 175.169 174.900 -0.020 0.000 0.983 115 G CA 0.419 45.517 45.100 -0.003 0.000 0.676 115 G HN 0.920 nan 8.290 nan 0.000 0.528 116 R N 0.457 120.933 120.500 -0.039 0.000 2.246 116 R HA 0.715 5.055 4.340 -0.000 0.000 0.332 116 R C 0.416 176.672 176.300 -0.073 0.000 0.974 116 R CA -0.486 55.593 56.100 -0.035 0.000 0.837 116 R CB 0.483 30.774 30.300 -0.015 0.000 1.145 116 R HN 0.442 nan 8.270 nan 0.000 0.467 117 Q N 1.601 121.373 119.800 -0.047 0.000 2.395 117 Q HA 0.106 4.445 4.340 -0.000 0.000 0.271 117 Q C -0.421 175.591 176.000 0.019 0.000 1.026 117 Q CA 0.192 55.967 55.803 -0.047 0.000 0.900 117 Q CB 0.290 29.028 28.738 0.001 0.000 1.266 117 Q HN 0.634 nan 8.270 nan 0.000 0.430 118 Y N 2.313 122.627 120.300 0.023 0.000 2.426 118 Y HA 0.020 4.570 4.550 -0.000 0.000 0.344 118 Y C -1.281 174.627 175.900 0.012 0.000 1.256 118 Y CA -1.553 56.561 58.100 0.024 0.000 1.451 118 Y CB -0.177 38.301 38.460 0.030 0.000 1.342 118 Y HN 0.423 nan 8.280 nan 0.000 0.600 119 P HA 0.048 nan 4.420 nan 0.000 0.214 119 P C 0.450 177.775 177.300 0.041 0.000 1.826 119 P CA 0.042 63.190 63.100 0.081 0.000 0.977 119 P CB 0.135 31.865 31.700 0.051 0.000 1.930 120 M N 1.004 120.641 119.600 0.062 0.000 2.146 120 M HA -0.226 4.254 4.480 -0.000 0.000 0.256 120 M C 2.248 178.541 176.300 -0.011 0.000 1.075 120 M CA 2.465 57.778 55.300 0.022 0.000 1.082 120 M CB -1.949 30.678 32.600 0.046 0.000 1.355 120 M HN 0.304 nan 8.290 nan 0.000 0.402 121 E N -0.226 119.972 120.200 -0.004 0.000 2.058 121 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 121 E C 2.197 178.779 176.600 -0.029 0.000 0.997 121 E CA 2.043 58.435 56.400 -0.014 0.000 0.801 121 E CB -1.131 28.564 29.700 -0.007 0.000 0.746 121 E HN 0.579 nan 8.360 nan 0.000 0.450 122 S N -0.369 115.313 115.700 -0.031 0.000 2.382 122 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 122 S C 2.155 176.705 174.600 -0.084 0.000 1.027 122 S CA 1.329 59.499 58.200 -0.050 0.000 0.991 122 S CB -0.473 62.700 63.200 -0.046 0.000 0.823 122 S HN 0.539 nan 8.310 nan 0.000 0.469 123 I N 0.619 121.123 120.570 -0.110 0.000 2.233 123 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 123 I C 2.858 178.882 176.117 -0.155 0.000 1.093 123 I CA 1.002 62.188 61.300 -0.191 0.000 1.380 123 I CB -0.472 37.386 38.000 -0.237 0.000 1.067 123 I HN 0.209 nan 8.210 nan 0.000 0.413 124 R N 1.046 121.484 120.500 -0.104 0.000 2.103 124 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 124 R C 2.662 178.916 176.300 -0.077 0.000 1.142 124 R CA 2.216 58.265 56.100 -0.085 0.000 0.960 124 R CB -0.809 29.460 30.300 -0.052 0.000 0.858 124 R HN 0.512 nan 8.270 nan 0.000 0.439 125 E N 0.662 120.830 120.200 -0.054 0.000 2.049 125 E HA -0.298 4.051 4.350 -0.000 0.000 0.198 125 E C 1.709 178.296 176.600 -0.022 0.000 1.007 125 E CA 2.026 58.406 56.400 -0.034 0.000 0.809 125 E CB -1.040 28.646 29.700 -0.023 0.000 0.749 125 E HN 0.597 nan 8.360 nan 0.000 0.450 126 H N 0.428 119.404 119.070 -0.157 0.000 2.293 126 H HA 0.060 4.616 4.556 -0.000 0.000 0.300 126 H C 2.208 177.427 175.328 -0.181 0.000 1.082 126 H CA 1.808 57.748 56.048 -0.180 0.000 1.308 126 H CB -0.482 29.104 29.762 -0.293 0.000 1.375 126 H HN 0.316 nan 8.280 nan 0.000 0.495 127 L N 0.093 121.126 121.223 -0.317 0.000 2.089 127 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 127 L C 2.682 179.403 176.870 -0.248 0.000 1.079 127 L CA 1.915 56.556 54.840 -0.332 0.000 0.758 127 L CB -0.868 41.062 42.059 -0.215 0.000 0.891 127 L HN 0.480 nan 8.230 nan 0.000 0.433 128 K N -0.033 120.265 120.400 -0.169 0.000 2.585 128 K HA -0.092 4.228 4.320 -0.000 0.000 0.194 128 K C 1.510 178.035 176.600 -0.124 0.000 1.037 128 K CA 1.499 57.714 56.287 -0.120 0.000 0.964 128 K CB -1.169 31.284 32.500 -0.078 0.000 0.787 128 K HN 0.654 nan 8.250 nan 0.000 0.488 129 T N -3.568 110.877 114.554 -0.182 0.000 3.144 129 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 129 T C 0.211 174.781 174.700 -0.217 0.000 0.966 129 T CA -0.359 61.651 62.100 -0.150 0.000 0.907 129 T CB -0.301 68.519 68.868 -0.080 0.000 1.152 129 T HN 0.162 nan 8.240 nan 0.000 0.532 130 L N 2.921 123.948 121.223 -0.327 0.000 2.499 130 L HA 0.600 4.940 4.340 -0.000 0.000 0.273 130 L C 0.135 176.828 176.870 -0.296 0.000 1.195 130 L CA 1.018 55.614 54.840 -0.406 0.000 0.882 130 L CB -0.349 41.460 42.059 -0.417 0.000 1.133 130 L HN 0.528 nan 8.230 nan 0.000 0.483 131 E N 3.751 123.767 120.200 -0.308 0.000 2.390 131 E HA 0.324 4.674 4.350 -0.000 0.000 0.277 131 E C -1.561 174.955 176.600 -0.140 0.000 0.939 131 E CA -0.718 55.583 56.400 -0.166 0.000 0.769 131 E CB 0.373 30.043 29.700 -0.050 0.000 1.251 131 E HN 0.630 nan 8.360 nan 0.000 0.450 132 W N 3.218 124.454 121.300 -0.107 0.000 2.417 132 W HA 0.309 4.968 4.660 -0.000 0.000 0.332 132 W C -1.588 174.899 176.519 -0.053 0.000 1.413 132 W CA -0.585 56.711 57.345 -0.082 0.000 1.299 132 W CB 0.676 30.097 29.460 -0.065 0.000 1.304 132 W HN 0.382 nan 8.180 nan 0.000 0.565 133 P HA 0.108 nan 4.420 nan 0.000 0.276 133 P C -0.309 177.078 177.300 0.145 0.000 1.264 133 P CA -0.088 63.104 63.100 0.154 0.000 0.769 133 P CB 0.871 32.655 31.700 0.140 0.000 0.840 134 A N 3.530 126.411 122.820 0.101 0.000 3.125 134 A HA 0.466 4.786 4.320 -0.000 0.000 0.272 134 A C 0.927 178.540 177.584 0.050 0.000 1.976 134 A CA 0.552 52.626 52.037 0.062 0.000 1.502 134 A CB -1.504 17.521 19.000 0.042 0.000 0.959 134 A HN 0.788 nan 8.150 nan 0.000 0.608 135 G N 0.195 109.030 108.800 0.057 0.000 2.402 135 G HA2 0.437 4.397 3.960 -0.000 0.000 0.301 135 G HA3 0.437 4.397 3.960 -0.000 0.000 0.301 135 G C -1.214 173.724 174.900 0.064 0.000 1.615 135 G CA -0.887 44.243 45.100 0.050 0.000 0.889 135 G HN 0.385 nan 8.290 nan 0.000 0.647 136 E N -0.233 120.007 120.200 0.066 0.000 2.222 136 E HA 0.699 5.049 4.350 -0.000 0.000 0.272 136 E C 0.684 177.346 176.600 0.103 0.000 0.982 136 E CA 0.160 56.615 56.400 0.093 0.000 0.842 136 E CB 2.157 31.920 29.700 0.106 0.000 1.144 136 E HN 1.733 nan 8.360 nan 0.000 0.397 137 G N 0.301 109.161 108.800 0.101 0.000 2.587 137 G HA2 0.094 4.054 3.960 -0.000 0.000 0.212 137 G HA3 0.094 4.054 3.960 -0.000 0.000 0.212 137 G C 0.503 175.335 174.900 -0.113 0.000 1.327 137 G CA -0.112 45.039 45.100 0.084 0.000 0.898 137 G HN 1.260 nan 8.290 nan 0.000 0.551 138 G N -2.659 106.113 108.800 -0.047 0.000 2.183 138 G HA2 0.050 4.010 3.960 -0.000 0.000 0.168 138 G HA3 0.050 4.010 3.960 -0.000 0.000 0.168 138 G C 0.937 175.771 174.900 -0.109 0.000 1.008 138 G CA 0.501 45.550 45.100 -0.085 0.000 0.677 138 G HN 1.414 nan 8.290 nan 0.000 0.498 139 F N 1.374 121.327 119.950 0.005 0.000 2.307 139 F HA 0.032 4.559 4.527 -0.000 0.000 0.301 139 F C 2.695 178.489 175.800 -0.011 0.000 1.076 139 F CA 2.260 60.253 58.000 -0.012 0.000 1.383 139 F CB -0.522 38.467 39.000 -0.018 0.000 1.055 139 F HN 0.361 nan 8.300 nan 0.000 0.526 140 D N 1.106 121.607 120.400 0.169 0.000 2.117 140 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 140 D C 2.044 178.373 176.300 0.048 0.000 0.987 140 D CA 1.598 55.654 54.000 0.093 0.000 0.829 140 D CB -0.790 40.054 40.800 0.073 0.000 0.961 140 D HN 0.501 nan 8.370 nan 0.000 0.460 141 R N -1.102 119.409 120.500 0.019 0.000 2.334 141 R HA 0.612 4.951 4.340 -0.000 0.000 0.216 141 R C 2.129 178.407 176.300 -0.037 0.000 0.905 141 R CA 0.846 56.938 56.100 -0.013 0.000 1.064 141 R CB 0.352 30.635 30.300 -0.028 0.000 1.046 141 R HN 0.331 nan 8.270 nan 0.000 0.508 142 A N 1.611 124.412 122.820 -0.033 0.000 1.901 142 A HA 0.299 4.618 4.320 -0.000 0.000 0.210 142 A C 2.346 179.931 177.584 0.002 0.000 1.208 142 A CA 0.680 52.684 52.037 -0.056 0.000 0.644 142 A CB -0.376 18.566 19.000 -0.095 0.000 0.863 142 A HN 0.353 nan 8.150 nan 0.000 0.454 143 A N -0.111 122.737 122.820 0.047 0.000 2.076 143 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 143 A C 2.169 179.774 177.584 0.035 0.000 1.160 143 A CA 1.614 53.686 52.037 0.058 0.000 0.653 143 A CB -0.410 18.628 19.000 0.063 0.000 0.801 143 A HN 0.525 nan 8.150 nan 0.000 0.455 144 R N -1.400 119.111 120.500 0.018 0.000 2.189 144 R HA 0.179 4.519 4.340 -0.000 0.000 0.203 144 R C 2.038 178.340 176.300 0.002 0.000 1.012 144 R CA 0.784 56.889 56.100 0.010 0.000 1.015 144 R CB -0.092 30.210 30.300 0.004 0.000 0.938 144 R HN 0.445 nan 8.270 nan 0.000 0.472 145 A N 1.055 123.867 122.820 -0.012 0.000 2.251 145 A HA 0.056 4.375 4.320 -0.000 0.000 0.209 145 A C 1.796 179.375 177.584 -0.008 0.000 1.187 145 A CA 0.222 52.245 52.037 -0.024 0.000 0.823 145 A CB -0.278 18.684 19.000 -0.062 0.000 0.846 145 A HN 0.414 nan 8.150 nan 0.000 0.486 146 I N -3.095 117.485 120.570 0.016 0.000 3.941 146 I HA 0.280 4.450 4.170 -0.000 0.000 0.321 146 I C 0.691 176.845 176.117 0.062 0.000 1.284 146 I CA -0.311 61.020 61.300 0.051 0.000 1.226 146 I CB -0.118 37.946 38.000 0.106 0.000 1.045 146 I HN 0.223 nan 8.210 nan 0.000 0.420 147 M N 1.496 121.123 119.600 0.044 0.000 2.288 147 M HA 0.483 4.963 4.480 -0.000 0.000 0.334 147 M C 0.702 177.023 176.300 0.035 0.000 1.150 147 M CA -0.062 55.263 55.300 0.041 0.000 1.118 147 M CB 1.058 33.678 32.600 0.032 0.000 1.501 147 M HN 0.199 nan 8.290 nan 0.000 0.462 148 T N -2.974 111.600 114.554 0.033 0.000 3.409 148 T HA 0.106 4.456 4.350 -0.000 0.000 0.188 148 T C 1.588 176.298 174.700 0.016 0.000 0.929 148 T CA 0.671 62.788 62.100 0.027 0.000 1.184 148 T CB -0.805 68.082 68.868 0.032 0.000 1.570 148 T HN 0.771 nan 8.240 nan 0.000 0.367 149 T N 0.675 115.236 114.554 0.013 0.000 2.995 149 T HA 0.098 4.448 4.350 -0.000 0.000 0.269 149 T C 0.226 174.931 174.700 0.008 0.000 1.091 149 T CA 0.463 62.564 62.100 0.002 0.000 1.128 149 T CB -1.083 67.780 68.868 -0.008 0.000 0.891 149 T HN 0.460 nan 8.240 nan 0.000 0.492 150 D N 2.542 122.953 120.400 0.018 0.000 2.406 150 D HA 0.192 4.832 4.640 -0.000 0.000 0.234 150 D C 1.337 177.646 176.300 0.014 0.000 1.196 150 D CA 1.063 55.075 54.000 0.020 0.000 0.881 150 D CB 0.587 41.401 40.800 0.024 0.000 1.205 150 D HN 0.446 nan 8.370 nan 0.000 0.453 151 T N -3.340 111.222 114.554 0.014 0.000 3.044 151 T HA 0.478 4.828 4.350 -0.000 0.000 0.260 151 T C 0.604 175.310 174.700 0.011 0.000 1.019 151 T CA -0.196 61.911 62.100 0.011 0.000 0.921 151 T CB -0.032 68.842 68.868 0.010 0.000 1.053 151 T HN 0.577 nan 8.240 nan 0.000 0.533 152 R N 1.360 121.868 120.500 0.012 0.000 2.629 152 R HA 0.806 5.146 4.340 -0.000 0.000 0.266 152 R C -3.588 172.720 176.300 0.013 0.000 1.051 152 R CA -1.714 54.392 56.100 0.011 0.000 0.895 152 R CB -0.288 30.017 30.300 0.009 0.000 1.246 152 R HN 0.192 nan 8.270 nan 0.000 0.459 153 P HA 0.440 nan 4.420 nan 0.000 0.277 153 P C -1.261 176.045 177.300 0.010 0.000 1.271 153 P CA -0.274 62.836 63.100 0.016 0.000 0.795 153 P CB 0.761 32.472 31.700 0.019 0.000 1.101 154 K N 0.363 120.769 120.400 0.009 0.000 2.716 154 K HA 0.324 4.643 4.320 -0.000 0.000 0.249 154 K C -0.723 175.865 176.600 -0.019 0.000 1.004 154 K CA -0.443 55.840 56.287 -0.007 0.000 0.968 154 K CB 1.527 34.024 32.500 -0.006 0.000 1.214 154 K HN 0.448 nan 8.250 nan 0.000 0.476 155 E N 1.209 121.393 120.200 -0.026 0.000 2.275 155 E HA 0.605 4.954 4.350 -0.000 0.000 0.270 155 E C -1.420 175.140 176.600 -0.067 0.000 0.882 155 E CA -1.112 55.260 56.400 -0.047 0.000 0.758 155 E CB 2.371 32.071 29.700 -0.001 0.000 1.195 155 E HN 0.146 nan 8.360 nan 0.000 0.419 156 V N 2.677 122.528 119.914 -0.105 0.000 3.040 156 V HA 0.687 4.807 4.120 -0.000 0.000 0.312 156 V C -1.369 174.663 176.094 -0.104 0.000 1.115 156 V CA -0.689 61.560 62.300 -0.084 0.000 0.998 156 V CB 2.065 33.850 31.823 -0.064 0.000 1.042 156 V HN 0.791 nan 8.190 nan 0.000 0.433 157 R N 3.003 123.459 120.500 -0.073 0.000 2.744 157 R HA 0.874 5.214 4.340 -0.000 0.000 0.279 157 R C -1.938 174.342 176.300 -0.033 0.000 0.977 157 R CA -0.711 55.346 56.100 -0.071 0.000 0.906 157 R CB 2.523 32.779 30.300 -0.074 0.000 1.197 157 R HN 0.528 nan 8.270 nan 0.000 0.463 158 V N 0.860 120.764 119.914 -0.017 0.000 2.851 158 V HA 0.474 4.594 4.120 -0.000 0.000 0.307 158 V C -0.477 175.630 176.094 0.022 0.000 1.129 158 V CA -0.779 61.519 62.300 -0.002 0.000 0.932 158 V CB 1.935 33.748 31.823 -0.015 0.000 1.024 158 V HN 1.011 nan 8.190 nan 0.000 0.426 159 S N 3.293 119.010 115.700 0.028 0.000 2.423 159 S HA 0.738 5.208 4.470 -0.000 0.000 0.317 159 S C -0.488 174.147 174.600 0.059 0.000 1.065 159 S CA -0.489 57.740 58.200 0.048 0.000 1.111 159 S CB 0.664 63.887 63.200 0.039 0.000 0.968 159 S HN 0.597 nan 8.310 nan 0.000 0.474 160 V N 1.867 121.837 119.914 0.094 0.000 2.417 160 V HA 0.734 4.854 4.120 -0.000 0.000 0.291 160 V C 1.137 177.300 176.094 0.115 0.000 1.024 160 V CA -0.164 62.203 62.300 0.112 0.000 0.861 160 V CB 0.669 32.600 31.823 0.180 0.000 0.985 160 V HN 1.419 nan 8.190 nan 0.000 0.436 161 G N 3.547 112.399 108.800 0.087 0.000 2.332 161 G HA2 0.057 4.017 3.960 -0.000 0.000 0.277 161 G HA3 0.057 4.017 3.960 -0.000 0.000 0.277 161 G C 1.189 176.129 174.900 0.067 0.000 0.884 161 G CA 0.681 45.824 45.100 0.072 0.000 1.251 161 G HN 2.403 nan 8.290 nan 0.000 0.462 162 G N -1.724 107.113 108.800 0.060 0.000 2.233 162 G HA2 0.167 4.127 3.960 -0.000 0.000 0.270 162 G HA3 0.167 4.127 3.960 -0.000 0.000 0.270 162 G C 0.569 175.510 174.900 0.069 0.000 1.011 162 G CA 1.361 46.495 45.100 0.056 0.000 0.762 162 G HN 2.376 nan 8.290 nan 0.000 0.511 163 A N -0.933 121.941 122.820 0.090 0.000 2.386 163 A HA 0.889 5.209 4.320 -0.000 0.000 0.311 163 A C 0.115 177.777 177.584 0.130 0.000 1.068 163 A CA 0.254 52.359 52.037 0.112 0.000 0.743 163 A CB 1.538 20.614 19.000 0.126 0.000 1.258 163 A HN 0.590 nan 8.150 nan 0.000 0.429 164 T N 1.561 116.198 114.554 0.138 0.000 2.902 164 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 164 T C -0.765 174.025 174.700 0.150 0.000 1.009 164 T CA -0.129 62.044 62.100 0.121 0.000 1.051 164 T CB 1.046 69.975 68.868 0.101 0.000 0.999 164 T HN 0.731 nan 8.240 nan 0.000 0.474 165 L N 3.199 124.481 121.223 0.099 0.000 2.401 165 L HA 0.863 5.203 4.340 -0.000 0.000 0.266 165 L C -1.531 175.312 176.870 -0.045 0.000 0.991 165 L CA -0.599 54.301 54.840 0.101 0.000 0.818 165 L CB 1.964 44.115 42.059 0.154 0.000 1.321 165 L HN 0.491 nan 8.230 nan 0.000 0.413 166 V N 2.644 122.470 119.914 -0.146 0.000 2.971 166 V HA 0.971 5.091 4.120 -0.000 0.000 0.309 166 V C -0.075 175.849 176.094 -0.283 0.000 1.130 166 V CA -0.118 61.966 62.300 -0.359 0.000 0.964 166 V CB 1.969 33.219 31.823 -0.955 0.000 1.029 166 V HN 1.010 nan 8.190 nan 0.000 0.427 167 G N 2.514 111.116 108.800 -0.331 0.000 2.667 167 G HA2 0.860 4.819 3.960 -0.000 0.000 0.298 167 G HA3 0.860 4.819 3.960 -0.000 0.000 0.298 167 G C -1.417 173.246 174.900 -0.395 0.000 1.377 167 G CA -0.576 44.172 45.100 -0.587 0.000 0.964 167 G HN 1.019 nan 8.290 nan 0.000 0.493 168 I N -1.651 118.697 120.570 -0.370 0.000 3.074 168 I HA 0.987 5.157 4.170 -0.000 0.000 0.310 168 I C -0.371 175.655 176.117 -0.150 0.000 1.153 168 I CA -1.491 59.730 61.300 -0.132 0.000 0.993 168 I CB 2.409 40.447 38.000 0.063 0.000 1.237 168 I HN 0.974 nan 8.210 nan 0.000 0.443 169 A N 2.801 125.592 122.820 -0.048 0.000 2.608 169 A HA 0.823 5.143 4.320 -0.000 0.000 0.292 169 A C -1.554 176.040 177.584 0.017 0.000 1.066 169 A CA -0.612 51.406 52.037 -0.033 0.000 0.676 169 A CB 2.166 21.199 19.000 0.055 0.000 1.277 169 A HN 0.898 nan 8.150 nan 0.000 0.413 170 K N 0.345 120.756 120.400 0.018 0.000 2.522 170 K HA 0.714 5.034 4.320 -0.000 0.000 0.275 170 K C -0.496 176.128 176.600 0.040 0.000 1.006 170 K CA 0.257 56.567 56.287 0.038 0.000 0.890 170 K CB 1.861 34.393 32.500 0.054 0.000 1.475 170 K HN 2.700 nan 8.250 nan 0.000 0.441 171 G N 0.603 109.430 108.800 0.045 0.000 3.224 171 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.684 171 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.684 171 G C -0.317 174.617 174.900 0.057 0.000 1.180 171 G CA -0.195 44.935 45.100 0.050 0.000 1.099 171 G HN 1.134 nan 8.290 nan 0.000 0.476 172 V N 0.135 120.081 119.914 0.054 0.000 3.166 172 V HA 0.824 4.944 4.120 -0.000 0.000 0.332 172 V C 0.847 176.990 176.094 0.083 0.000 1.434 172 V CA 0.701 63.039 62.300 0.062 0.000 1.121 172 V CB 0.544 32.396 31.823 0.050 0.000 1.062 172 V HN 2.173 nan 8.190 nan 0.000 0.489 173 G N -0.669 108.179 108.800 0.080 0.000 2.703 173 G HA2 0.503 4.463 3.960 -0.000 0.000 0.294 173 G HA3 0.503 4.463 3.960 -0.000 0.000 0.294 173 G C -0.381 174.570 174.900 0.086 0.000 1.451 173 G CA -0.394 44.767 45.100 0.101 0.000 0.869 173 G HN 0.889 nan 8.290 nan 0.000 0.516 174 M N 0.194 119.859 119.600 0.108 0.000 2.253 174 M HA -0.150 4.330 4.480 -0.000 0.000 0.195 174 M C -1.545 174.798 176.300 0.072 0.000 0.512 174 M CA 0.462 55.809 55.300 0.079 0.000 0.442 174 M CB -0.930 31.699 32.600 0.049 0.000 1.189 174 M HN 0.576 nan 8.290 nan 0.000 0.923 175 L N 1.891 123.163 121.223 0.082 0.000 2.457 175 L HA 0.578 4.918 4.340 -0.000 0.000 0.266 175 L C -0.650 176.261 176.870 0.069 0.000 0.979 175 L CA -0.129 54.756 54.840 0.074 0.000 0.857 175 L CB 1.482 43.589 42.059 0.081 0.000 1.213 175 L HN 0.457 nan 8.230 nan 0.000 0.418 176 E N 6.886 127.124 120.200 0.063 0.000 2.850 176 E HA 0.260 4.610 4.350 -0.000 0.000 0.368 176 E C -2.811 173.823 176.600 0.058 0.000 1.116 176 E CA -1.262 55.173 56.400 0.058 0.000 0.787 176 E CB 1.329 31.052 29.700 0.040 0.000 1.561 176 E HN 0.266 nan 8.360 nan 0.000 0.381 177 P HA 0.140 nan 4.420 nan 0.000 0.271 177 P C -0.299 177.035 177.300 0.056 0.000 1.218 177 P CA 0.257 63.396 63.100 0.065 0.000 0.780 177 P CB 1.073 32.823 31.700 0.083 0.000 0.901 178 D N 1.520 121.947 120.400 0.044 0.000 2.996 178 D HA 0.169 4.809 4.640 -0.000 0.000 0.343 178 D C 0.048 176.370 176.300 0.036 0.000 1.574 178 D CA -0.165 53.856 54.000 0.035 0.000 0.773 178 D CB -0.431 40.387 40.800 0.029 0.000 1.241 178 D HN 0.176 nan 8.370 nan 0.000 0.469 179 M N 0.686 120.303 119.600 0.028 0.000 2.252 179 M HA 0.377 4.857 4.480 -0.000 0.000 0.333 179 M C 0.827 177.140 176.300 0.022 0.000 1.111 179 M CA 0.528 55.839 55.300 0.018 0.000 1.140 179 M CB 1.239 33.810 32.600 -0.048 0.000 1.538 179 M HN 0.224 nan 8.290 nan 0.000 0.448 180 A N 0.987 123.841 122.820 0.057 0.000 2.736 180 A HA 0.235 4.555 4.320 -0.000 0.000 0.222 180 A C 0.128 177.796 177.584 0.140 0.000 1.267 180 A CA -0.375 51.706 52.037 0.073 0.000 1.026 180 A CB 0.377 19.421 19.000 0.073 0.000 1.281 180 A HN 0.703 nan 8.150 nan 0.000 0.577 181 T N 1.651 116.235 114.554 0.050 0.000 2.829 181 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 181 T C -0.591 174.134 174.700 0.040 0.000 0.990 181 T CA -0.257 61.872 62.100 0.049 0.000 1.028 181 T CB 1.760 70.661 68.868 0.056 0.000 0.951 181 T HN 0.299 nan 8.240 nan 0.000 0.460 182 L N 5.104 126.341 121.223 0.023 0.000 2.294 182 L HA 0.553 4.892 4.340 -0.000 0.000 0.283 182 L C -1.484 175.328 176.870 -0.097 0.000 1.015 182 L CA -0.677 54.156 54.840 -0.011 0.000 0.831 182 L CB 0.381 42.450 42.059 0.016 0.000 1.217 182 L HN 0.636 nan 8.230 nan 0.000 0.420 183 L N 4.939 126.088 121.223 -0.123 0.000 2.325 183 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 183 L C -0.168 176.401 176.870 -0.503 0.000 1.004 183 L CA -0.234 54.453 54.840 -0.256 0.000 0.823 183 L CB 2.053 44.113 42.059 0.002 0.000 1.236 183 L HN 0.599 nan 8.230 nan 0.000 0.415 184 T N 2.850 116.847 114.554 -0.928 0.000 2.952 184 T HA 0.732 5.081 4.350 -0.000 0.000 0.305 184 T C -1.285 172.719 174.700 -1.159 0.000 1.064 184 T CA -0.261 61.307 62.100 -0.887 0.000 1.008 184 T CB 0.886 69.324 68.868 -0.716 0.000 1.078 184 T HN 0.212 nan 8.240 nan 0.000 0.459 185 F N 3.301 123.165 119.950 -0.143 0.000 2.565 185 F HA 0.786 5.313 4.527 -0.000 0.000 0.313 185 F C -0.898 174.806 175.800 -0.161 0.000 1.091 185 F CA -1.137 56.867 58.000 0.006 0.000 0.915 185 F CB 1.741 40.796 39.000 0.092 0.000 1.208 185 F HN 0.437 nan 8.300 nan 0.000 0.453 186 F N 1.518 121.600 119.950 0.220 0.000 2.539 186 F HA 0.751 5.279 4.527 0.000 0.000 0.318 186 F C -0.155 175.716 175.800 0.119 0.000 1.135 186 F CA -1.035 57.044 58.000 0.132 0.000 0.915 186 F CB 1.911 40.998 39.000 0.144 0.000 1.176 186 F HN 0.591 nan 8.300 nan 0.000 0.440 187 A N 1.753 124.622 122.820 0.082 0.000 2.355 187 A HA 0.818 5.138 4.320 -0.000 0.000 0.317 187 A C -0.721 176.779 177.584 -0.139 0.000 1.094 187 A CA -0.698 51.164 52.037 -0.292 0.000 0.764 187 A CB 1.691 20.035 19.000 -1.094 0.000 1.230 187 A HN 0.649 nan 8.150 nan 0.000 0.448 188 T N 0.831 115.505 114.554 0.199 0.000 3.071 188 T HA 0.409 4.759 4.350 -0.000 0.000 0.311 188 T C -0.098 174.906 174.700 0.508 0.000 1.042 188 T CA -0.099 62.222 62.100 0.368 0.000 1.028 188 T CB 0.830 69.924 68.868 0.377 0.000 1.068 188 T HN 0.702 nan 8.240 nan 0.000 0.451 189 D N 3.056 123.715 120.400 0.432 0.000 2.378 189 D HA 0.176 4.815 4.640 -0.000 0.000 0.227 189 D C 0.979 177.363 176.300 0.140 0.000 1.012 189 D CA 0.014 54.176 54.000 0.270 0.000 0.905 189 D CB -0.259 40.664 40.800 0.204 0.000 0.895 189 D HN 0.622 nan 8.370 nan 0.000 0.532 190 A N 0.207 123.101 122.820 0.122 0.000 2.520 190 A HA 0.514 4.834 4.320 -0.000 0.000 0.245 190 A C 0.879 178.424 177.584 -0.066 0.000 1.072 190 A CA 0.005 52.043 52.037 0.002 0.000 0.761 190 A CB -0.101 18.846 19.000 -0.088 0.000 1.004 190 A HN 0.432 nan 8.150 nan 0.000 0.499 191 R N 2.469 122.933 120.500 -0.060 0.000 2.248 191 R HA 0.538 4.878 4.340 -0.000 0.000 0.337 191 R C -0.679 175.559 176.300 -0.104 0.000 1.106 191 R CA -0.177 55.887 56.100 -0.060 0.000 0.959 191 R CB -0.556 29.726 30.300 -0.030 0.000 1.075 191 R HN 0.626 nan 8.270 nan 0.000 0.480 192 L N 0.856 122.000 121.223 -0.131 0.000 2.298 192 L HA 0.526 4.866 4.340 -0.000 0.000 0.268 192 L C 0.018 176.845 176.870 -0.071 0.000 1.010 192 L CA -1.024 53.728 54.840 -0.146 0.000 0.812 192 L CB 2.161 44.073 42.059 -0.245 0.000 1.331 192 L HN 0.765 nan 8.230 nan 0.000 0.450 193 D N -0.030 120.339 120.400 -0.052 0.000 2.274 193 D HA 0.344 4.984 4.640 -0.000 0.000 0.239 193 D C -1.919 174.375 176.300 -0.011 0.000 1.104 193 D CA -1.633 52.355 54.000 -0.020 0.000 0.840 193 D CB 1.701 42.497 40.800 -0.007 0.000 1.100 193 D HN 0.159 nan 8.370 nan 0.000 0.477 194 P HA -0.293 nan 4.420 nan 0.000 0.216 194 P C 0.935 178.243 177.300 0.013 0.000 1.167 194 P CA 2.370 65.472 63.100 0.003 0.000 0.933 194 P CB 0.119 31.825 31.700 0.009 0.000 0.793 195 A N -0.519 122.313 122.820 0.019 0.000 1.858 195 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 195 A C 2.240 179.847 177.584 0.039 0.000 1.190 195 A CA 1.744 53.798 52.037 0.029 0.000 0.617 195 A CB -1.311 17.704 19.000 0.026 0.000 0.827 195 A HN 0.107 nan 8.150 nan 0.000 0.443 196 E N -0.472 119.749 120.200 0.035 0.000 2.070 196 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 196 E C 2.176 178.818 176.600 0.070 0.000 1.004 196 E CA 1.610 58.038 56.400 0.047 0.000 0.805 196 E CB -0.494 29.229 29.700 0.038 0.000 0.744 196 E HN 0.812 nan 8.360 nan 0.000 0.451 197 Q N 0.601 120.435 119.800 0.058 0.000 2.096 197 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 197 Q C 1.450 177.531 176.000 0.134 0.000 0.993 197 Q CA 2.281 58.135 55.803 0.084 0.000 0.862 197 Q CB -0.017 28.730 28.738 0.015 0.000 0.915 197 Q HN 0.201 nan 8.270 nan 0.000 0.416 198 D N -0.586 119.873 120.400 0.097 0.000 2.084 198 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 198 D C 2.022 178.417 176.300 0.158 0.000 0.990 198 D CA 1.359 55.440 54.000 0.135 0.000 0.826 198 D CB -0.101 40.749 40.800 0.083 0.000 0.971 198 D HN 0.210 nan 8.370 nan 0.000 0.453 199 R N 0.328 120.891 120.500 0.104 0.000 2.113 199 R HA -0.148 4.192 4.340 -0.000 0.000 0.244 199 R C 2.485 178.837 176.300 0.087 0.000 1.142 199 R CA 1.049 57.198 56.100 0.082 0.000 0.953 199 R CB -0.730 29.606 30.300 0.061 0.000 0.860 199 R HN 0.265 nan 8.270 nan 0.000 0.438 200 L N 0.071 121.360 121.223 0.110 0.000 1.989 200 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 200 L C 2.299 179.232 176.870 0.106 0.000 1.071 200 L CA 1.626 56.532 54.840 0.111 0.000 0.749 200 L CB -0.441 41.718 42.059 0.167 0.000 0.890 200 L HN 0.088 nan 8.230 nan 0.000 0.431 201 F N 1.263 121.221 119.950 0.013 0.000 2.065 201 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 201 F C 2.648 178.427 175.800 -0.035 0.000 1.112 201 F CA 2.159 60.140 58.000 -0.032 0.000 1.212 201 F CB -0.354 38.622 39.000 -0.039 0.000 0.975 201 F HN 0.026 nan 8.300 nan 0.000 0.476 202 R N -0.262 120.211 120.500 -0.046 0.000 2.096 202 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 202 R C 2.360 178.593 176.300 -0.111 0.000 1.127 202 R CA 1.619 57.650 56.100 -0.116 0.000 0.968 202 R CB -0.348 29.964 30.300 0.020 0.000 0.861 202 R HN 0.290 nan 8.270 nan 0.000 0.440 203 R N -0.017 120.450 120.500 -0.055 0.000 2.096 203 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 203 R C 2.032 178.299 176.300 -0.054 0.000 1.127 203 R CA 1.300 57.382 56.100 -0.029 0.000 0.968 203 R CB -0.199 30.096 30.300 -0.008 0.000 0.861 203 R HN 0.091 nan 8.270 nan 0.000 0.440 204 V N 0.767 120.611 119.914 -0.116 0.000 3.141 204 V HA -0.134 3.986 4.120 -0.000 0.000 0.265 204 V C 2.021 178.007 176.094 -0.180 0.000 1.126 204 V CA 1.087 63.309 62.300 -0.129 0.000 1.141 204 V CB -0.232 31.476 31.823 -0.193 0.000 0.743 204 V HN 0.273 nan 8.190 nan 0.000 0.492 205 M N -0.806 118.650 119.600 -0.241 0.000 2.466 205 M HA 0.070 4.549 4.480 -0.000 0.000 0.265 205 M C 1.547 177.838 176.300 -0.014 0.000 1.122 205 M CA 1.089 56.290 55.300 -0.165 0.000 1.157 205 M CB -0.688 31.696 32.600 -0.359 0.000 1.352 205 M HN 0.294 nan 8.290 nan 0.000 0.464 206 D N -0.101 120.302 120.400 0.004 0.000 2.347 206 D HA 0.009 4.649 4.640 -0.000 0.000 0.213 206 D C 1.739 178.174 176.300 0.225 0.000 0.985 206 D CA 0.453 54.520 54.000 0.112 0.000 0.879 206 D CB 0.344 41.206 40.800 0.103 0.000 0.919 206 D HN 0.184 nan 8.370 nan 0.000 0.526 207 R N 0.111 120.666 120.500 0.092 0.000 2.334 207 R HA 0.096 4.436 4.340 -0.000 0.000 0.212 207 R C 1.529 177.811 176.300 -0.029 0.000 0.897 207 R CA 0.413 56.510 56.100 -0.004 0.000 1.056 207 R CB 0.633 30.922 30.300 -0.019 0.000 1.046 207 R HN 0.300 nan 8.270 nan 0.000 0.513 208 T N -3.190 111.334 114.554 -0.051 0.000 2.964 208 T HA 0.138 4.488 4.350 -0.000 0.000 0.161 208 T C 1.584 176.179 174.700 -0.175 0.000 0.859 208 T CA -0.222 61.746 62.100 -0.220 0.000 1.015 208 T CB -0.637 67.948 68.868 -0.472 0.000 2.138 208 T HN -0.123 nan 8.240 nan 0.000 0.367 209 F N 2.843 122.764 119.950 -0.049 0.000 2.087 209 F HA 0.018 4.544 4.527 -0.000 0.000 0.299 209 F C 2.141 177.947 175.800 0.010 0.000 1.100 209 F CA 1.606 59.589 58.000 -0.029 0.000 1.226 209 F CB -1.075 37.888 39.000 -0.062 0.000 0.983 209 F HN 0.262 nan 8.300 nan 0.000 0.479 210 N N -0.609 118.202 118.700 0.185 0.000 2.485 210 N HA 0.168 4.908 4.740 -0.000 0.000 0.199 210 N C 0.733 176.337 175.510 0.155 0.000 1.236 210 N CA 0.602 53.732 53.050 0.134 0.000 0.852 210 N CB -0.012 38.532 38.487 0.095 0.000 1.018 210 N HN 0.226 nan 8.380 nan 0.000 0.457 211 A N -1.071 121.864 122.820 0.192 0.000 2.635 211 A HA 0.289 4.609 4.320 -0.000 0.000 0.279 211 A C -0.196 177.531 177.584 0.239 0.000 1.122 211 A CA -0.252 51.954 52.037 0.281 0.000 0.965 211 A CB 0.543 19.802 19.000 0.432 0.000 1.221 211 A HN 0.080 nan 8.150 nan 0.000 0.566 212 V N 0.240 120.254 119.914 0.166 0.000 2.555 212 V HA 0.789 4.909 4.120 -0.000 0.000 0.302 212 V C -0.819 175.338 176.094 0.105 0.000 1.038 212 V CA -0.100 62.288 62.300 0.148 0.000 0.887 212 V CB 1.863 33.739 31.823 0.089 0.000 0.991 212 V HN 0.360 nan 8.190 nan 0.000 0.434 213 S N 6.417 122.169 115.700 0.087 0.000 2.668 213 S HA 0.501 4.971 4.470 -0.000 0.000 0.277 213 S C 0.238 174.862 174.600 0.039 0.000 1.170 213 S CA -0.744 57.490 58.200 0.056 0.000 0.994 213 S CB 1.270 64.492 63.200 0.037 0.000 1.051 213 S HN 0.591 nan 8.310 nan 0.000 0.484 214 I N 3.271 123.865 120.570 0.039 0.000 2.512 214 I HA 0.159 4.329 4.170 -0.000 0.000 0.247 214 I C 1.017 177.109 176.117 -0.041 0.000 1.094 214 I CA 0.981 62.295 61.300 0.023 0.000 1.427 214 I CB -0.650 37.394 38.000 0.073 0.000 1.149 214 I HN 0.801 nan 8.210 nan 0.000 0.438 215 D N -1.302 119.088 120.400 -0.017 0.000 2.594 215 D HA 0.011 4.650 4.640 -0.000 0.000 0.256 215 D C 0.788 177.076 176.300 -0.021 0.000 1.393 215 D CA 0.879 54.837 54.000 -0.071 0.000 0.797 215 D CB -0.355 40.425 40.800 -0.033 0.000 1.110 215 D HN 0.290 nan 8.370 nan 0.000 0.495 216 T N -3.092 111.460 114.554 -0.002 0.000 7.366 216 T HA -0.271 4.079 4.350 -0.000 0.000 0.298 216 T C -0.284 174.426 174.700 0.016 0.000 2.046 216 T CA 1.164 63.266 62.100 0.004 0.000 3.126 216 T CB -2.331 66.530 68.868 -0.012 0.000 2.130 216 T HN 0.259 nan 8.240 nan 0.000 1.215 217 D N 2.368 122.788 120.400 0.033 0.000 2.713 217 D HA 0.264 4.904 4.640 -0.000 0.000 0.229 217 D C 0.256 176.578 176.300 0.037 0.000 1.136 217 D CA 0.114 54.135 54.000 0.036 0.000 1.010 217 D CB 0.583 41.415 40.800 0.054 0.000 1.084 217 D HN 0.505 nan 8.370 nan 0.000 0.495 218 T N 1.186 115.760 114.554 0.032 0.000 2.709 218 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 218 T C 0.836 175.561 174.700 0.041 0.000 1.008 218 T CA 0.633 62.757 62.100 0.039 0.000 1.194 218 T CB 0.308 69.198 68.868 0.037 0.000 0.986 218 T HN 0.121 nan 8.240 nan 0.000 0.508 219 S N 2.421 118.150 115.700 0.049 0.000 2.596 219 S HA 0.143 4.613 4.470 -0.000 0.000 0.260 219 S C 1.555 176.194 174.600 0.065 0.000 1.336 219 S CA -0.107 58.124 58.200 0.052 0.000 0.993 219 S CB 0.444 63.677 63.200 0.055 0.000 0.923 219 S HN 0.850 nan 8.310 nan 0.000 0.567 220 T N -0.261 114.335 114.554 0.071 0.000 3.163 220 T HA 0.336 4.685 4.350 -0.000 0.000 0.252 220 T C 0.632 175.390 174.700 0.098 0.000 1.056 220 T CA -0.046 62.111 62.100 0.095 0.000 0.947 220 T CB 0.058 68.992 68.868 0.110 0.000 1.016 220 T HN 0.344 nan 8.240 nan 0.000 0.554 221 S N 0.191 115.948 115.700 0.094 0.000 2.733 221 S HA 0.180 4.650 4.470 -0.000 0.000 0.270 221 S C -0.455 174.216 174.600 0.117 0.000 1.062 221 S CA -0.547 57.718 58.200 0.108 0.000 1.256 221 S CB 0.257 63.515 63.200 0.098 0.000 1.187 221 S HN 0.388 nan 8.310 nan 0.000 0.666 222 D N 3.644 124.097 120.400 0.089 0.000 2.772 222 D HA 0.112 4.752 4.640 -0.000 0.000 0.227 222 D C -0.155 176.174 176.300 0.050 0.000 1.114 222 D CA 1.364 55.393 54.000 0.048 0.000 0.832 222 D CB 0.324 41.146 40.800 0.037 0.000 1.154 222 D HN 0.116 nan 8.370 nan 0.000 0.514 223 T N 0.882 115.410 114.554 -0.044 0.000 2.933 223 T HA 0.727 5.077 4.350 -0.000 0.000 0.305 223 T C -0.818 173.661 174.700 -0.368 0.000 1.092 223 T CA -0.737 61.297 62.100 -0.109 0.000 1.008 223 T CB 1.927 70.860 68.868 0.109 0.000 1.102 223 T HN 0.343 nan 8.240 nan 0.000 0.469 224 A N 2.361 124.933 122.820 -0.412 0.000 2.381 224 A HA 0.837 5.157 4.320 -0.000 0.000 0.299 224 A C -1.156 176.328 177.584 -0.167 0.000 1.049 224 A CA -0.606 51.195 52.037 -0.394 0.000 0.715 224 A CB 1.159 19.921 19.000 -0.398 0.000 1.222 224 A HN 0.676 nan 8.150 nan 0.000 0.428 225 V N 2.209 122.067 119.914 -0.093 0.000 2.925 225 V HA 0.670 4.790 4.120 -0.000 0.000 0.311 225 V C -1.126 174.921 176.094 -0.079 0.000 1.104 225 V CA -0.627 61.580 62.300 -0.154 0.000 0.954 225 V CB 1.908 33.668 31.823 -0.104 0.000 1.022 225 V HN 0.942 nan 8.190 nan 0.000 0.427 226 L N 3.465 124.395 121.223 -0.489 0.000 2.356 226 L HA 0.785 5.125 4.340 -0.000 0.000 0.277 226 L C -1.589 175.113 176.870 -0.280 0.000 0.996 226 L CA -0.000 54.706 54.840 -0.223 0.000 0.822 226 L CB 1.391 43.238 42.059 -0.353 0.000 1.256 226 L HN 0.466 nan 8.230 nan 0.000 0.413 227 F N 4.095 124.136 119.950 0.152 0.000 2.482 227 F HA 0.798 5.325 4.527 0.000 0.000 0.331 227 F C 0.198 176.177 175.800 0.299 0.000 1.115 227 F CA -0.446 57.686 58.000 0.220 0.000 0.955 227 F CB 2.266 41.473 39.000 0.346 0.000 1.136 227 F HN 0.612 nan 8.300 nan 0.000 0.452 228 A N 3.431 126.512 122.820 0.435 0.000 2.651 228 A HA 0.512 4.832 4.320 -0.000 0.000 0.290 228 A C -0.832 176.869 177.584 0.195 0.000 1.185 228 A CA -0.907 51.311 52.037 0.301 0.000 0.746 228 A CB 0.089 19.141 19.000 0.087 0.000 1.213 228 A HN 0.773 nan 8.150 nan 0.000 0.429 229 N N 0.893 119.696 118.700 0.171 0.000 2.445 229 N HA 0.459 5.199 4.740 -0.000 0.000 0.264 229 N C 1.019 176.540 175.510 0.019 0.000 1.227 229 N CA 0.155 53.212 53.050 0.011 0.000 0.963 229 N CB 0.880 39.269 38.487 -0.163 0.000 1.188 229 N HN 0.270 nan 8.380 nan 0.000 0.491 230 G N -0.617 108.177 108.800 -0.010 0.000 2.939 230 G HA2 0.008 3.968 3.960 -0.000 0.000 0.210 230 G HA3 0.008 3.968 3.960 -0.000 0.000 0.210 230 G C 1.140 176.037 174.900 -0.005 0.000 1.160 230 G CA -0.200 44.895 45.100 -0.008 0.000 0.770 230 G HN 0.537 nan 8.290 nan 0.000 0.543 231 L N 0.457 121.671 121.223 -0.016 0.000 2.198 231 L HA -0.276 4.064 4.340 -0.000 0.000 0.218 231 L C 2.719 179.597 176.870 0.014 0.000 1.084 231 L CA 1.381 56.215 54.840 -0.012 0.000 0.779 231 L CB -0.340 41.700 42.059 -0.032 0.000 0.890 231 L HN 0.329 nan 8.230 nan 0.000 0.439 232 A N -0.148 122.693 122.820 0.035 0.000 2.462 232 A HA 0.469 4.789 4.320 -0.000 0.000 0.261 232 A C 1.160 178.762 177.584 0.031 0.000 1.323 232 A CA 0.429 52.492 52.037 0.044 0.000 0.913 232 A CB -0.619 18.425 19.000 0.074 0.000 1.028 232 A HN 0.493 nan 8.150 nan 0.000 0.511 233 G N -1.502 107.307 108.800 0.015 0.000 2.856 233 G HA2 0.320 4.280 3.960 -0.000 0.000 0.674 233 G HA3 0.320 4.280 3.960 -0.000 0.000 0.674 233 G C -0.058 174.845 174.900 0.005 0.000 1.519 233 G CA -0.009 45.096 45.100 0.009 0.000 0.940 233 G HN 1.603 nan 8.290 nan 0.000 0.564 234 E N -0.901 119.299 120.200 -0.001 0.000 2.492 234 E HA 0.456 4.806 4.350 -0.000 0.000 0.266 234 E C 0.589 177.192 176.600 0.004 0.000 1.047 234 E CA 0.769 57.164 56.400 -0.007 0.000 0.968 234 E CB 0.871 30.570 29.700 -0.003 0.000 0.960 234 E HN 2.010 nan 8.360 nan 0.000 0.452 235 V N 2.661 122.572 119.914 -0.005 0.000 2.808 235 V HA 0.233 4.353 4.120 -0.000 0.000 0.308 235 V C -0.151 175.964 176.094 0.035 0.000 1.099 235 V CA -0.946 61.371 62.300 0.028 0.000 0.920 235 V CB 2.132 33.980 31.823 0.041 0.000 1.014 235 V HN 1.008 nan 8.190 nan 0.000 0.425 236 D N 3.371 123.808 120.400 0.062 0.000 2.434 236 D HA 0.114 4.754 4.640 -0.000 0.000 0.252 236 D C 1.206 177.566 176.300 0.099 0.000 1.185 236 D CA 0.616 54.654 54.000 0.063 0.000 0.886 236 D CB 1.952 42.787 40.800 0.058 0.000 1.148 236 D HN 0.690 nan 8.370 nan 0.000 0.483 237 A N 4.800 127.666 122.820 0.078 0.000 1.869 237 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 237 A C 2.117 179.788 177.584 0.145 0.000 1.203 237 A CA 2.284 54.387 52.037 0.110 0.000 0.638 237 A CB -1.341 17.700 19.000 0.070 0.000 0.831 237 A HN 0.747 nan 8.150 nan 0.000 0.450 238 G N -0.581 108.273 108.800 0.089 0.000 2.553 238 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 238 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 238 G C 1.362 176.306 174.900 0.074 0.000 1.195 238 G CA 1.117 46.257 45.100 0.066 0.000 0.779 238 G HN 0.695 nan 8.290 nan 0.000 0.577 239 E N -0.488 119.762 120.200 0.083 0.000 2.267 239 E HA -0.117 4.232 4.350 -0.000 0.000 0.197 239 E C 2.045 178.708 176.600 0.105 0.000 0.998 239 E CA 0.595 57.040 56.400 0.076 0.000 0.830 239 E CB -0.171 29.576 29.700 0.079 0.000 0.751 239 E HN 0.515 nan 8.360 nan 0.000 0.491 240 F N 1.710 121.673 119.950 0.022 0.000 2.293 240 F HA -0.049 4.478 4.527 -0.001 0.000 0.297 240 F C 2.213 178.029 175.800 0.026 0.000 1.089 240 F CA 1.177 59.195 58.000 0.030 0.000 1.377 240 F CB 0.140 39.162 39.000 0.037 0.000 1.051 240 F HN -0.116 nan 8.300 nan 0.000 0.511 241 E N 0.487 120.706 120.200 0.032 0.000 2.077 241 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 241 E C 2.318 178.858 176.600 -0.100 0.000 0.989 241 E CA 1.631 58.006 56.400 -0.042 0.000 0.800 241 E CB -0.175 29.539 29.700 0.023 0.000 0.746 241 E HN 0.551 nan 8.360 nan 0.000 0.452 242 E N 0.652 120.808 120.200 -0.073 0.000 2.051 242 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 242 E C 1.972 178.534 176.600 -0.063 0.000 0.991 242 E CA 1.512 57.875 56.400 -0.061 0.000 0.799 242 E CB -0.994 28.677 29.700 -0.048 0.000 0.748 242 E HN 0.482 nan 8.360 nan 0.000 0.449 243 A N -0.037 122.696 122.820 -0.144 0.000 1.902 243 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 243 A C 2.444 179.883 177.584 -0.242 0.000 1.181 243 A CA 1.780 53.707 52.037 -0.183 0.000 0.623 243 A CB -0.429 18.434 19.000 -0.229 0.000 0.818 243 A HN 0.503 nan 8.150 nan 0.000 0.443 244 L N -0.667 120.314 121.223 -0.403 0.000 2.005 244 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 244 L C 2.378 179.125 176.870 -0.205 0.000 1.072 244 L CA 2.824 57.439 54.840 -0.376 0.000 0.744 244 L CB -1.167 40.608 42.059 -0.473 0.000 0.895 244 L HN 0.671 nan 8.230 nan 0.000 0.433 245 H N -1.380 117.551 119.070 -0.230 0.000 2.357 245 H HA -0.196 4.360 4.556 0.000 0.000 0.296 245 H C 1.914 177.152 175.328 -0.149 0.000 1.108 245 H CA 2.561 58.501 56.048 -0.181 0.000 1.273 245 H CB -0.228 29.443 29.762 -0.150 0.000 1.367 245 H HN 0.376 nan 8.280 nan 0.000 0.498 246 T N 0.009 114.516 114.554 -0.078 0.000 2.701 246 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 246 T C 2.258 176.882 174.700 -0.128 0.000 1.040 246 T CA 1.475 63.516 62.100 -0.098 0.000 1.147 246 T CB -0.739 68.117 68.868 -0.019 0.000 0.865 246 T HN 0.592 nan 8.240 nan 0.000 0.426 247 A N 1.313 124.098 122.820 -0.057 0.000 1.902 247 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 247 A C 2.601 180.241 177.584 0.093 0.000 1.181 247 A CA 1.844 53.906 52.037 0.042 0.000 0.623 247 A CB -1.062 18.037 19.000 0.164 0.000 0.818 247 A HN 0.501 nan 8.150 nan 0.000 0.443 248 A N -0.461 122.408 122.820 0.081 0.000 1.858 248 A HA -0.032 4.287 4.320 -0.000 0.000 0.216 248 A C 2.104 179.472 177.584 -0.360 0.000 1.190 248 A CA 1.700 53.754 52.037 0.028 0.000 0.617 248 A CB -0.702 18.234 19.000 -0.107 0.000 0.827 248 A HN 0.688 nan 8.150 nan 0.000 0.443 249 L N -0.216 120.727 121.223 -0.467 0.000 2.131 249 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 249 L C 2.579 179.197 176.870 -0.420 0.000 1.092 249 L CA 1.968 56.476 54.840 -0.552 0.000 0.759 249 L CB -0.666 41.010 42.059 -0.637 0.000 0.903 249 L HN 0.359 nan 8.230 nan 0.000 0.435 250 A N -0.876 121.779 122.820 -0.276 0.000 1.930 250 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 250 A C 2.241 179.713 177.584 -0.188 0.000 1.175 250 A CA 1.719 53.639 52.037 -0.194 0.000 0.627 250 A CB -0.674 18.255 19.000 -0.120 0.000 0.815 250 A HN 0.476 nan 8.150 nan 0.000 0.443 251 L N -0.765 120.348 121.223 -0.183 0.000 2.109 251 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 251 L C 2.491 179.235 176.870 -0.209 0.000 1.086 251 L CA 0.620 55.380 54.840 -0.134 0.000 0.760 251 L CB -0.378 41.674 42.059 -0.013 0.000 0.910 251 L HN 0.231 nan 8.230 nan 0.000 0.437 252 V N -0.180 119.483 119.914 -0.418 0.000 2.295 252 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 252 V C 2.605 178.499 176.094 -0.334 0.000 1.049 252 V CA 1.576 63.602 62.300 -0.457 0.000 1.024 252 V CB -0.488 30.935 31.823 -0.667 0.000 0.648 252 V HN 0.376 nan 8.190 nan 0.000 0.447 253 K N -0.151 120.019 120.400 -0.384 0.000 2.063 253 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 253 K C 1.891 178.413 176.600 -0.130 0.000 1.048 253 K CA 1.681 57.814 56.287 -0.258 0.000 0.928 253 K CB -0.755 31.606 32.500 -0.232 0.000 0.713 253 K HN 0.453 nan 8.250 nan 0.000 0.442 254 D N 0.847 121.175 120.400 -0.121 0.000 2.133 254 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 254 D C 1.949 178.226 176.300 -0.039 0.000 0.997 254 D CA 0.851 54.812 54.000 -0.064 0.000 0.840 254 D CB -0.161 40.605 40.800 -0.057 0.000 0.947 254 D HN 0.187 nan 8.370 nan 0.000 0.452 255 I N 0.405 120.947 120.570 -0.047 0.000 2.353 255 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 255 I C 2.334 178.453 176.117 0.004 0.000 1.119 255 I CA 0.726 62.022 61.300 -0.007 0.000 1.417 255 I CB -0.153 37.855 38.000 0.013 0.000 1.078 255 I HN -0.053 nan 8.210 nan 0.000 0.421 256 A N 0.511 123.323 122.820 -0.014 0.000 1.873 256 A HA -0.172 4.147 4.320 -0.000 0.000 0.215 256 A C 2.491 180.091 177.584 0.026 0.000 1.186 256 A CA 2.081 54.133 52.037 0.024 0.000 0.616 256 A CB -0.707 18.321 19.000 0.046 0.000 0.823 256 A HN 0.392 nan 8.150 nan 0.000 0.442 257 S N -0.036 115.670 115.700 0.010 0.000 2.370 257 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 257 S C 1.417 176.029 174.600 0.020 0.000 1.033 257 S CA 1.494 59.703 58.200 0.014 0.000 1.011 257 S CB -0.368 62.833 63.200 0.002 0.000 0.852 257 S HN 0.664 nan 8.310 nan 0.000 0.457 258 D N 1.682 122.093 120.400 0.017 0.000 2.434 258 D HA 0.239 4.878 4.640 -0.000 0.000 0.232 258 D C 0.757 177.078 176.300 0.035 0.000 1.166 258 D CA -0.220 53.794 54.000 0.023 0.000 0.830 258 D CB -0.577 40.233 40.800 0.017 0.000 0.960 258 D HN 0.287 nan 8.370 nan 0.000 0.497 259 G N 0.299 109.125 108.800 0.044 0.000 2.647 259 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.234 259 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.234 259 G C -0.014 174.934 174.900 0.080 0.000 1.252 259 G CA -0.486 44.654 45.100 0.066 0.000 0.846 259 G HN 0.320 nan 8.290 nan 0.000 0.589 260 E N 0.290 120.562 120.200 0.119 0.000 2.341 260 E HA 0.346 4.696 4.350 -0.000 0.000 0.256 260 E C 1.476 178.167 176.600 0.151 0.000 1.125 260 E CA 1.123 57.587 56.400 0.107 0.000 0.939 260 E CB -0.285 29.466 29.700 0.085 0.000 0.991 260 E HN 0.926 nan 8.360 nan 0.000 0.458 261 G N 3.149 111.994 108.800 0.075 0.000 2.328 261 G HA2 -0.411 3.548 3.960 -0.000 0.000 0.256 261 G HA3 -0.411 3.548 3.960 -0.000 0.000 0.256 261 G C 0.532 175.458 174.900 0.044 0.000 1.014 261 G CA 0.048 45.186 45.100 0.063 0.000 0.620 261 G HN 0.905 nan 8.290 nan 0.000 0.530 262 A N 0.184 123.038 122.820 0.056 0.000 2.609 262 A HA 0.567 4.887 4.320 -0.000 0.000 0.232 262 A C 1.556 179.164 177.584 0.040 0.000 1.041 262 A CA 1.524 53.581 52.037 0.033 0.000 0.753 262 A CB 0.300 19.325 19.000 0.041 0.000 0.966 262 A HN 1.981 nan 8.150 nan 0.000 0.510 263 A N 2.153 125.008 122.820 0.058 0.000 2.324 263 A HA 0.395 4.715 4.320 -0.000 0.000 0.220 263 A C 0.531 178.156 177.584 0.069 0.000 1.209 263 A CA 0.808 52.899 52.037 0.090 0.000 0.918 263 A CB 0.142 19.258 19.000 0.193 0.000 0.959 263 A HN 0.902 nan 8.150 nan 0.000 0.507 264 K N -0.176 120.259 120.400 0.059 0.000 2.570 264 K HA 0.458 4.778 4.320 -0.000 0.000 0.256 264 K C -1.159 175.461 176.600 0.033 0.000 0.939 264 K CA -0.618 55.690 56.287 0.034 0.000 0.833 264 K CB 1.091 33.602 32.500 0.018 0.000 1.318 264 K HN 0.110 nan 8.250 nan 0.000 0.433 265 L N 4.203 125.446 121.223 0.032 0.000 2.499 265 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 265 L C -0.834 176.068 176.870 0.052 0.000 1.195 265 L CA -0.198 54.672 54.840 0.051 0.000 0.882 265 L CB 0.296 42.391 42.059 0.060 0.000 1.133 265 L HN 0.612 nan 8.230 nan 0.000 0.483 266 I N 5.392 126.001 120.570 0.065 0.000 2.378 266 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 266 I C -0.350 175.796 176.117 0.048 0.000 0.992 266 I CA -0.422 60.910 61.300 0.053 0.000 1.154 266 I CB 1.761 39.787 38.000 0.043 0.000 1.315 266 I HN 0.639 nan 8.210 nan 0.000 0.448 267 E N 5.727 125.939 120.200 0.020 0.000 2.210 267 E HA 0.530 4.880 4.350 -0.000 0.000 0.266 267 E C -1.676 174.858 176.600 -0.110 0.000 0.883 267 E CA -0.639 55.704 56.400 -0.096 0.000 0.761 267 E CB 2.455 32.130 29.700 -0.042 0.000 1.156 267 E HN 0.332 nan 8.360 nan 0.000 0.412 268 V N 5.172 124.974 119.914 -0.186 0.000 2.326 268 V HA 0.206 4.326 4.120 -0.000 0.000 0.281 268 V C -0.575 175.437 176.094 -0.136 0.000 1.015 268 V CA -0.609 61.619 62.300 -0.121 0.000 0.823 268 V CB 1.362 33.139 31.823 -0.078 0.000 1.009 268 V HN 0.686 nan 8.190 nan 0.000 0.436 269 Q N 3.754 123.489 119.800 -0.108 0.000 2.360 269 Q HA 0.523 4.863 4.340 -0.000 0.000 0.254 269 Q C -0.902 175.066 176.000 -0.053 0.000 0.975 269 Q CA -0.383 55.366 55.803 -0.090 0.000 0.912 269 Q CB 2.257 30.946 28.738 -0.081 0.000 1.212 269 Q HN 0.560 nan 8.270 nan 0.000 0.452 270 V N 3.192 123.096 119.914 -0.017 0.000 2.357 270 V HA 0.397 4.517 4.120 -0.000 0.000 0.284 270 V C 0.228 176.329 176.094 0.012 0.000 1.018 270 V CA -0.475 61.824 62.300 -0.000 0.000 0.841 270 V CB 1.349 33.185 31.823 0.021 0.000 0.991 270 V HN 0.860 nan 8.190 nan 0.000 0.437 271 T N 0.905 115.456 114.554 -0.005 0.000 2.930 271 T HA 0.775 5.125 4.350 -0.000 0.000 0.290 271 T C 0.838 175.536 174.700 -0.003 0.000 1.052 271 T CA 0.194 62.293 62.100 -0.003 0.000 1.017 271 T CB 1.955 70.814 68.868 -0.015 0.000 1.137 271 T HN 1.494 nan 8.240 nan 0.000 0.511 272 G N 0.509 109.309 108.800 -0.000 0.000 2.284 272 G HA2 0.027 3.987 3.960 -0.000 0.000 0.230 272 G HA3 0.027 3.987 3.960 -0.000 0.000 0.230 272 G C 0.625 175.526 174.900 0.001 0.000 1.021 272 G CA 0.040 45.139 45.100 -0.002 0.000 0.619 272 G HN 1.681 nan 8.290 nan 0.000 0.510 273 A N 0.867 123.690 122.820 0.005 0.000 2.614 273 A HA 0.426 4.746 4.320 -0.000 0.000 0.231 273 A C 1.670 179.256 177.584 0.004 0.000 1.076 273 A CA 1.672 53.711 52.037 0.004 0.000 0.767 273 A CB -0.035 18.971 19.000 0.010 0.000 1.012 273 A HN 1.477 nan 8.150 nan 0.000 0.512 274 R N 0.368 120.868 120.500 -0.000 0.000 2.189 274 R HA 0.005 4.344 4.340 -0.000 0.000 0.218 274 R C -0.013 176.288 176.300 0.002 0.000 1.074 274 R CA 1.338 57.438 56.100 -0.000 0.000 0.991 274 R CB -0.212 30.086 30.300 -0.003 0.000 0.883 274 R HN 0.860 nan 8.270 nan 0.000 0.457 275 D N -1.451 118.952 120.400 0.004 0.000 2.692 275 D HA 0.025 4.665 4.640 -0.000 0.000 0.290 275 D C -0.692 175.620 176.300 0.020 0.000 1.281 275 D CA -0.607 53.399 54.000 0.011 0.000 0.804 275 D CB 0.499 41.301 40.800 0.004 0.000 1.331 275 D HN -0.240 nan 8.370 nan 0.000 0.432 276 D N 0.420 120.844 120.400 0.041 0.000 2.092 276 D HA -0.101 4.539 4.640 -0.000 0.000 0.193 276 D C 2.033 178.324 176.300 -0.015 0.000 0.994 276 D CA 2.415 56.465 54.000 0.083 0.000 0.828 276 D CB -0.676 40.217 40.800 0.154 0.000 0.963 276 D HN 0.559 nan 8.370 nan 0.000 0.450 277 A N 1.108 123.897 122.820 -0.051 0.000 1.896 277 A HA -0.332 3.988 4.320 -0.000 0.000 0.220 277 A C 2.163 179.675 177.584 -0.120 0.000 1.206 277 A CA 2.510 54.477 52.037 -0.117 0.000 0.647 277 A CB -1.033 17.925 19.000 -0.070 0.000 0.828 277 A HN 0.336 nan 8.150 nan 0.000 0.455 278 Q N -0.808 118.953 119.800 -0.065 0.000 2.096 278 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 278 Q C 2.150 178.116 176.000 -0.057 0.000 0.982 278 Q CA 1.720 57.490 55.803 -0.054 0.000 0.850 278 Q CB -0.353 28.368 28.738 -0.028 0.000 0.901 278 Q HN 0.637 nan 8.270 nan 0.000 0.422 279 A N 0.761 123.561 122.820 -0.033 0.000 2.015 279 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 279 A C 1.955 179.518 177.584 -0.034 0.000 1.163 279 A CA 1.510 53.551 52.037 0.006 0.000 0.646 279 A CB -0.360 18.693 19.000 0.088 0.000 0.806 279 A HN 0.370 nan 8.150 nan 0.000 0.448 280 K N -0.574 119.692 120.400 -0.225 0.000 2.098 280 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 280 K C 2.229 178.690 176.600 -0.232 0.000 1.051 280 K CA 0.436 56.450 56.287 -0.455 0.000 0.957 280 K CB -0.138 31.743 32.500 -1.033 0.000 0.738 280 K HN 0.392 nan 8.250 nan 0.000 0.447 281 R N 0.475 120.869 120.500 -0.176 0.000 2.127 281 R HA -0.166 4.174 4.340 -0.000 0.000 0.228 281 R C 2.262 178.516 176.300 -0.076 0.000 1.125 281 R CA 2.034 58.068 56.100 -0.111 0.000 0.904 281 R CB -1.041 29.209 30.300 -0.084 0.000 0.831 281 R HN 0.045 nan 8.270 nan 0.000 0.431 282 V N 0.658 120.537 119.914 -0.058 0.000 2.277 282 V HA -0.299 3.821 4.120 -0.000 0.000 0.253 282 V C 2.477 178.548 176.094 -0.037 0.000 1.067 282 V CA 2.241 64.516 62.300 -0.041 0.000 1.047 282 V CB -1.310 30.494 31.823 -0.032 0.000 0.649 282 V HN 0.699 nan 8.190 nan 0.000 0.447 283 G N -0.136 108.644 108.800 -0.033 0.000 2.514 283 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 283 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 283 G C 1.594 176.479 174.900 -0.024 0.000 1.198 283 G CA 0.996 46.087 45.100 -0.015 0.000 0.780 283 G HN 0.440 nan 8.290 nan 0.000 0.565 284 K N 0.154 120.531 120.400 -0.038 0.000 2.155 284 K HA -0.007 4.312 4.320 -0.000 0.000 0.203 284 K C 2.673 179.255 176.600 -0.030 0.000 1.052 284 K CA 1.189 57.457 56.287 -0.031 0.000 0.948 284 K CB -0.728 31.747 32.500 -0.043 0.000 0.728 284 K HN 0.272 nan 8.250 nan 0.000 0.448 285 T N 1.469 116.002 114.554 -0.036 0.000 2.821 285 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 285 T C 2.119 176.803 174.700 -0.027 0.000 1.046 285 T CA 0.992 63.073 62.100 -0.032 0.000 1.139 285 T CB -0.089 68.760 68.868 -0.033 0.000 0.871 285 T HN -0.093 nan 8.240 nan 0.000 0.454 286 V N 0.700 120.598 119.914 -0.026 0.000 2.283 286 V HA -0.051 4.068 4.120 -0.000 0.000 0.243 286 V C 2.501 178.587 176.094 -0.014 0.000 1.039 286 V CA 1.107 63.394 62.300 -0.021 0.000 1.016 286 V CB -0.504 31.304 31.823 -0.025 0.000 0.650 286 V HN 0.284 nan 8.190 nan 0.000 0.449 287 V N 0.767 120.672 119.914 -0.015 0.000 3.078 287 V HA -0.097 4.023 4.120 -0.000 0.000 0.265 287 V C 1.757 177.841 176.094 -0.016 0.000 1.122 287 V CA 1.612 63.906 62.300 -0.009 0.000 1.141 287 V CB -0.587 31.233 31.823 -0.006 0.000 0.735 287 V HN 0.601 nan 8.190 nan 0.000 0.498 288 N N -0.518 118.169 118.700 -0.023 0.000 2.254 288 N HA 0.082 4.822 4.740 -0.000 0.000 0.190 288 N C 0.839 176.325 175.510 -0.039 0.000 1.107 288 N CA 0.381 53.411 53.050 -0.034 0.000 0.869 288 N CB 0.442 38.910 38.487 -0.031 0.000 0.983 288 N HN 0.371 nan 8.380 nan 0.000 0.487 289 S N 2.349 118.031 115.700 -0.030 0.000 2.546 289 S HA 0.088 4.558 4.470 -0.000 0.000 0.290 289 S C -1.456 173.124 174.600 -0.033 0.000 1.262 289 S CA -1.055 57.128 58.200 -0.029 0.000 1.083 289 S CB 1.050 64.237 63.200 -0.020 0.000 0.859 289 S HN -0.015 nan 8.310 nan 0.000 0.495 290 P HA -0.079 nan 4.420 nan 0.000 0.215 290 P C 1.376 178.657 177.300 -0.031 0.000 1.153 290 P CA 1.051 64.122 63.100 -0.047 0.000 0.853 290 P CB 0.076 31.748 31.700 -0.047 0.000 0.788 291 L N -1.534 119.674 121.223 -0.025 0.000 2.093 291 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 291 L C 2.352 179.217 176.870 -0.009 0.000 1.085 291 L CA 1.168 55.996 54.840 -0.020 0.000 0.755 291 L CB -0.891 41.151 42.059 -0.027 0.000 0.904 291 L HN -0.117 nan 8.230 nan 0.000 0.435 292 V N -0.029 119.884 119.914 -0.003 0.000 2.244 292 V HA -0.277 3.843 4.120 -0.000 0.000 0.244 292 V C 2.341 178.451 176.094 0.026 0.000 1.042 292 V CA 1.755 64.067 62.300 0.021 0.000 1.006 292 V CB -0.433 31.403 31.823 0.023 0.000 0.641 292 V HN 0.389 nan 8.190 nan 0.000 0.446 293 K N 0.285 120.689 120.400 0.007 0.000 2.286 293 K HA -0.196 4.123 4.320 -0.000 0.000 0.203 293 K C 1.987 178.602 176.600 0.025 0.000 1.045 293 K CA 1.909 58.198 56.287 0.004 0.000 0.935 293 K CB -0.363 32.114 32.500 -0.038 0.000 0.737 293 K HN 0.785 nan 8.250 nan 0.000 0.460 294 T N -1.948 112.621 114.554 0.026 0.000 2.939 294 T HA 0.140 4.490 4.350 -0.000 0.000 0.254 294 T C 2.160 176.903 174.700 0.071 0.000 1.041 294 T CA 0.459 62.595 62.100 0.060 0.000 1.142 294 T CB -0.185 68.701 68.868 0.029 0.000 0.874 294 T HN 0.123 nan 8.240 nan 0.000 0.452 295 A N 1.865 124.702 122.820 0.027 0.000 1.851 295 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 295 A C 2.607 180.186 177.584 -0.008 0.000 1.195 295 A CA 1.936 53.971 52.037 -0.004 0.000 0.622 295 A CB -1.431 17.563 19.000 -0.011 0.000 0.831 295 A HN 0.363 nan 8.150 nan 0.000 0.444 296 V N 0.020 119.948 119.914 0.023 0.000 2.370 296 V HA -0.343 3.776 4.120 -0.000 0.000 0.252 296 V C 2.511 178.617 176.094 0.019 0.000 1.068 296 V CA 2.725 65.036 62.300 0.019 0.000 1.061 296 V CB -1.137 30.720 31.823 0.057 0.000 0.656 296 V HN 0.892 nan 8.190 nan 0.000 0.455 297 H N 0.658 119.711 119.070 -0.027 0.000 2.462 297 H HA 0.029 4.585 4.556 -0.000 0.000 0.292 297 H C 2.017 177.327 175.328 -0.030 0.000 1.049 297 H CA 1.541 57.573 56.048 -0.025 0.000 1.334 297 H CB -0.315 29.436 29.762 -0.019 0.000 1.404 297 H HN 0.369 nan 8.280 nan 0.000 0.544 298 G N -1.602 107.070 108.800 -0.215 0.000 3.141 298 G HA2 0.037 3.997 3.960 -0.000 0.000 0.218 298 G HA3 0.037 3.997 3.960 -0.000 0.000 0.218 298 G C 0.277 175.068 174.900 -0.181 0.000 1.170 298 G CA 0.327 45.280 45.100 -0.246 0.000 0.769 298 G HN 0.545 nan 8.290 nan 0.000 0.546 299 C N 0.716 119.921 119.300 -0.159 0.000 4.545 299 C HA -0.120 4.340 4.460 -0.000 0.000 0.300 299 C C 0.090 174.999 174.990 -0.135 0.000 1.337 299 C CA -0.102 58.834 59.018 -0.136 0.000 2.032 299 C CB -2.286 25.380 27.740 -0.124 0.000 1.236 299 C HN 0.613 nan 8.230 nan 0.000 0.774 300 D N 1.273 121.591 120.400 -0.136 0.000 2.381 300 D HA 0.286 4.925 4.640 -0.000 0.000 0.235 300 D C -1.820 174.350 176.300 -0.217 0.000 1.068 300 D CA -1.123 52.791 54.000 -0.143 0.000 0.832 300 D CB 1.924 42.664 40.800 -0.101 0.000 1.101 300 D HN 0.242 nan 8.370 nan 0.000 0.515 301 P HA 0.063 nan 4.420 nan 0.000 0.220 301 P C -0.047 177.114 177.300 -0.232 0.000 1.778 301 P CA -0.467 62.232 63.100 -0.668 0.000 0.912 301 P CB -0.366 30.938 31.700 -0.660 0.000 1.861 302 N N 2.203 120.857 118.700 -0.077 0.000 2.410 302 N HA -0.062 4.678 4.740 -0.000 0.000 0.281 302 N C 1.327 176.932 175.510 0.158 0.000 1.241 302 N CA -0.244 52.787 53.050 -0.033 0.000 0.998 302 N CB 0.049 38.493 38.487 -0.072 0.000 1.376 302 N HN 0.423 nan 8.380 nan 0.000 0.490 303 W N 2.998 124.453 121.300 0.259 0.000 2.519 303 W HA 0.071 4.731 4.660 -0.000 0.000 0.266 303 W C 1.152 177.703 176.519 0.053 0.000 1.253 303 W CA 0.421 57.915 57.345 0.248 0.000 1.274 303 W CB -0.938 28.686 29.460 0.273 0.000 1.114 303 W HN 0.337 nan 8.180 nan 0.000 0.596 304 G N 1.893 110.326 108.800 -0.612 0.000 2.421 304 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 304 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 304 G C 1.836 176.608 174.900 -0.214 0.000 1.171 304 G CA 1.065 45.794 45.100 -0.618 0.000 0.775 304 G HN 0.218 nan 8.290 nan 0.000 0.543 305 R N -0.275 120.138 120.500 -0.146 0.000 2.092 305 R HA 0.008 4.348 4.340 -0.000 0.000 0.231 305 R C 2.655 178.944 176.300 -0.018 0.000 1.119 305 R CA 0.934 56.993 56.100 -0.068 0.000 0.970 305 R CB -0.464 29.810 30.300 -0.044 0.000 0.864 305 R HN 0.295 nan 8.270 nan 0.000 0.440 306 V N 1.078 121.012 119.914 0.034 0.000 2.295 306 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 306 V C 2.459 178.549 176.094 -0.007 0.000 1.049 306 V CA 2.053 64.373 62.300 0.033 0.000 1.024 306 V CB -0.694 31.166 31.823 0.061 0.000 0.648 306 V HN 0.408 nan 8.190 nan 0.000 0.447 307 A N -0.200 122.617 122.820 -0.006 0.000 1.902 307 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 307 A C 2.260 179.815 177.584 -0.048 0.000 1.181 307 A CA 2.195 54.197 52.037 -0.058 0.000 0.623 307 A CB -0.574 18.380 19.000 -0.077 0.000 0.818 307 A HN 0.453 nan 8.150 nan 0.000 0.443 308 M N 0.518 120.091 119.600 -0.045 0.000 2.082 308 M HA -0.205 4.275 4.480 -0.000 0.000 0.258 308 M C 2.254 178.535 176.300 -0.033 0.000 1.071 308 M CA 2.502 57.777 55.300 -0.041 0.000 1.103 308 M CB -1.271 31.299 32.600 -0.049 0.000 1.307 308 M HN 0.404 nan 8.290 nan 0.000 0.409 309 A N 1.145 123.947 122.820 -0.030 0.000 1.859 309 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 309 A C 2.210 179.777 177.584 -0.028 0.000 1.209 309 A CA 2.499 54.520 52.037 -0.027 0.000 0.639 309 A CB -1.348 17.639 19.000 -0.021 0.000 0.835 309 A HN 0.691 nan 8.150 nan 0.000 0.450 310 I N -0.213 120.338 120.570 -0.032 0.000 2.248 310 I HA -0.267 3.902 4.170 -0.000 0.000 0.248 310 I C 2.549 178.649 176.117 -0.028 0.000 1.107 310 I CA 1.224 62.504 61.300 -0.033 0.000 1.373 310 I CB -0.724 37.251 38.000 -0.042 0.000 1.055 310 I HN 0.435 nan 8.210 nan 0.000 0.418 311 G N 0.538 109.321 108.800 -0.028 0.000 2.509 311 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.218 311 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.218 311 G C 1.637 176.526 174.900 -0.019 0.000 1.124 311 G CA 0.178 45.265 45.100 -0.021 0.000 0.776 311 G HN 0.343 nan 8.290 nan 0.000 0.547 312 K N -0.419 119.968 120.400 -0.022 0.000 2.442 312 K HA -0.008 4.311 4.320 -0.000 0.000 0.198 312 K C 0.398 176.986 176.600 -0.020 0.000 1.042 312 K CA 0.148 56.423 56.287 -0.020 0.000 0.958 312 K CB -0.123 32.364 32.500 -0.023 0.000 0.766 312 K HN 0.251 nan 8.250 nan 0.000 0.474 313 C N 2.243 121.530 119.300 -0.021 0.000 2.700 313 C HA 0.103 4.562 4.460 -0.000 0.000 0.529 313 C C 1.853 176.834 174.990 -0.016 0.000 1.093 313 C CA -0.634 58.371 59.018 -0.021 0.000 1.320 313 C CB -1.628 26.098 27.740 -0.024 0.000 1.478 313 C HN 0.419 nan 8.230 nan 0.000 0.598 314 S N 0.472 116.164 115.700 -0.014 0.000 2.400 314 S HA -0.207 4.263 4.470 -0.000 0.000 0.232 314 S C 1.098 175.692 174.600 -0.009 0.000 1.025 314 S CA 1.822 60.016 58.200 -0.010 0.000 0.993 314 S CB -0.224 62.971 63.200 -0.009 0.000 0.808 314 S HN 0.664 nan 8.310 nan 0.000 0.478 315 D N 2.356 122.749 120.400 -0.011 0.000 2.117 315 D HA 0.000 4.640 4.640 -0.000 0.000 0.198 315 D C -0.233 176.061 176.300 -0.010 0.000 0.982 315 D CA 1.176 55.170 54.000 -0.010 0.000 0.828 315 D CB -0.606 40.187 40.800 -0.012 0.000 0.967 315 D HN 0.558 nan 8.370 nan 0.000 0.464 316 D N -0.110 120.283 120.400 -0.012 0.000 2.429 316 D HA 0.013 4.652 4.640 -0.000 0.000 0.253 316 D C 1.056 177.352 176.300 -0.007 0.000 1.294 316 D CA 0.182 54.175 54.000 -0.011 0.000 1.063 316 D CB 0.388 41.179 40.800 -0.015 0.000 1.096 316 D HN 0.154 nan 8.370 nan 0.000 0.516 317 T N -1.757 112.794 114.554 -0.005 0.000 3.085 317 T HA -0.170 4.179 4.350 -0.000 0.000 0.263 317 T C 1.237 175.937 174.700 -0.001 0.000 1.127 317 T CA 0.181 62.280 62.100 -0.002 0.000 1.103 317 T CB 0.029 68.896 68.868 -0.002 0.000 0.921 317 T HN 0.323 nan 8.240 nan 0.000 0.510 318 D N 1.020 121.419 120.400 -0.002 0.000 2.336 318 D HA 0.035 4.674 4.640 -0.000 0.000 0.229 318 D C 0.451 176.752 176.300 0.001 0.000 1.061 318 D CA -0.248 53.751 54.000 -0.000 0.000 0.875 318 D CB -0.474 40.325 40.800 -0.002 0.000 0.904 318 D HN 0.468 nan 8.370 nan 0.000 0.525 319 I N 1.579 122.150 120.570 0.001 0.000 2.291 319 I HA 0.066 4.236 4.170 -0.000 0.000 0.292 319 I C 0.165 176.288 176.117 0.011 0.000 1.064 319 I CA -0.484 60.819 61.300 0.004 0.000 1.269 319 I CB 0.698 38.697 38.000 -0.001 0.000 1.418 319 I HN -0.196 nan 8.210 nan 0.000 0.485 320 D N 5.880 126.290 120.400 0.016 0.000 2.249 320 D HA 0.022 4.662 4.640 -0.000 0.000 0.246 320 D C 0.811 177.136 176.300 0.043 0.000 1.114 320 D CA -0.085 53.930 54.000 0.025 0.000 0.854 320 D CB 1.616 42.428 40.800 0.021 0.000 1.132 320 D HN 0.564 nan 8.370 nan 0.000 0.461 321 Q N 3.021 122.852 119.800 0.052 0.000 2.170 321 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 321 Q C 0.763 176.847 176.000 0.141 0.000 0.976 321 Q CA 1.346 57.200 55.803 0.085 0.000 0.858 321 Q CB 0.249 29.034 28.738 0.077 0.000 0.907 321 Q HN 0.562 nan 8.270 nan 0.000 0.433 322 E N -0.494 119.759 120.200 0.089 0.000 2.482 322 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 322 E C 1.540 178.164 176.600 0.039 0.000 1.047 322 E CA 0.280 56.719 56.400 0.064 0.000 0.869 322 E CB 0.319 30.037 29.700 0.030 0.000 0.836 322 E HN 0.350 nan 8.360 nan 0.000 0.520 323 R N -0.180 120.352 120.500 0.053 0.000 2.250 323 R HA 0.134 4.474 4.340 -0.000 0.000 0.194 323 R C 0.484 176.817 176.300 0.055 0.000 0.927 323 R CA -0.100 56.018 56.100 0.030 0.000 1.052 323 R CB 0.485 30.796 30.300 0.018 0.000 1.055 323 R HN -0.099 nan 8.270 nan 0.000 0.537 324 V N 3.375 123.352 119.914 0.104 0.000 2.584 324 V HA -0.052 4.068 4.120 -0.000 0.000 0.303 324 V C 0.369 176.583 176.094 0.201 0.000 1.035 324 V CA 0.733 63.104 62.300 0.119 0.000 1.172 324 V CB 0.513 32.391 31.823 0.093 0.000 0.896 324 V HN 0.367 nan 8.190 nan 0.000 0.486 325 T N 4.373 118.989 114.554 0.104 0.000 2.812 325 T HA 0.773 5.123 4.350 -0.000 0.000 0.282 325 T C -0.694 174.034 174.700 0.048 0.000 0.990 325 T CA -0.599 61.556 62.100 0.092 0.000 0.960 325 T CB 1.383 70.249 68.868 -0.003 0.000 0.948 325 T HN 0.338 nan 8.240 nan 0.000 0.438 326 I N 3.356 123.965 120.570 0.065 0.000 2.474 326 I HA 0.646 4.816 4.170 -0.000 0.000 0.294 326 I C 0.191 176.240 176.117 -0.114 0.000 1.005 326 I CA -1.174 60.089 61.300 -0.061 0.000 1.113 326 I CB 1.959 39.922 38.000 -0.061 0.000 1.289 326 I HN 0.760 nan 8.210 nan 0.000 0.436 327 R N 3.674 124.044 120.500 -0.217 0.000 2.855 327 R HA 0.639 4.979 4.340 -0.000 0.000 0.266 327 R C -1.612 174.476 176.300 -0.354 0.000 1.034 327 R CA -0.710 55.289 56.100 -0.168 0.000 0.944 327 R CB 1.417 31.671 30.300 -0.077 0.000 1.219 327 R HN 0.309 nan 8.270 nan 0.000 0.474 328 F N 0.367 120.353 119.950 0.059 0.000 2.627 328 F HA 0.503 5.031 4.527 0.000 0.000 0.329 328 F C 0.854 176.676 175.800 0.036 0.000 1.378 328 F CA 0.526 58.590 58.000 0.108 0.000 1.134 328 F CB 1.389 40.480 39.000 0.151 0.000 1.229 328 F HN 1.067 nan 8.300 nan 0.000 0.537 329 G N 0.319 109.151 108.800 0.053 0.000 2.083 329 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.199 329 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.199 329 G C 0.696 175.547 174.900 -0.082 0.000 2.367 329 G CA -0.114 44.906 45.100 -0.134 0.000 1.555 329 G HN 0.169 nan 8.290 nan 0.000 0.490 330 E N -0.277 119.884 120.200 -0.066 0.000 2.702 330 E HA 0.300 4.649 4.350 -0.000 0.000 0.225 330 E C -0.142 176.443 176.600 -0.024 0.000 0.942 330 E CA 0.351 56.724 56.400 -0.046 0.000 1.210 330 E CB 2.129 31.798 29.700 -0.051 0.000 1.143 330 E HN 0.351 nan 8.360 nan 0.000 0.544 331 V N 2.531 122.446 119.914 0.001 0.000 2.348 331 V HA 0.163 4.283 4.120 -0.000 0.000 0.270 331 V C 0.314 176.428 176.094 0.034 0.000 1.037 331 V CA -0.549 61.766 62.300 0.025 0.000 0.872 331 V CB 1.272 33.130 31.823 0.058 0.000 1.002 331 V HN 0.091 nan 8.190 nan 0.000 0.464 332 E N 3.654 123.850 120.200 -0.006 0.000 2.159 332 E HA 0.123 4.473 4.350 -0.000 0.000 0.272 332 E C 0.789 177.372 176.600 -0.028 0.000 1.138 332 E CA -0.253 56.129 56.400 -0.030 0.000 0.915 332 E CB 1.110 30.774 29.700 -0.060 0.000 1.028 332 E HN 0.732 nan 8.360 nan 0.000 0.423 333 V N 2.963 122.881 119.914 0.007 0.000 3.647 333 V HA 0.254 4.373 4.120 -0.000 0.000 0.279 333 V C -0.291 175.640 176.094 -0.272 0.000 1.314 333 V CA -0.106 62.190 62.300 -0.006 0.000 1.125 333 V CB -0.792 31.194 31.823 0.271 0.000 0.907 333 V HN 0.602 nan 8.190 nan 0.000 0.434 334 Y N -0.050 120.017 120.300 -0.390 0.000 2.390 334 Y HA 0.650 5.200 4.550 -0.001 0.000 0.324 334 Y C -3.178 172.539 175.900 -0.305 0.000 1.151 334 Y CA -2.224 55.544 58.100 -0.553 0.000 1.053 334 Y CB 2.232 40.291 38.460 -0.669 0.000 1.277 334 Y HN -0.030 nan 8.280 nan 0.000 0.432 335 P HA 0.098 nan 4.420 nan 0.000 0.266 335 P C -2.425 174.471 177.300 -0.674 0.000 1.193 335 P CA -0.280 62.094 63.100 -1.210 0.000 0.770 335 P CB 0.243 31.499 31.700 -0.740 0.000 0.836 345 D N -2.222 118.184 120.400 0.009 0.000 2.970 345 D HA 0.897 5.537 4.640 -0.000 0.000 0.344 345 D C 0.816 177.122 176.300 0.009 0.000 1.365 345 D CA 0.509 54.512 54.000 0.006 0.000 0.910 345 D CB 0.536 41.338 40.800 0.003 0.000 1.445 345 D HN 1.693 nan 8.370 nan 0.000 0.532 346 A N -0.564 122.259 122.820 0.007 0.000 2.250 346 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 346 A C 1.784 179.374 177.584 0.010 0.000 1.254 346 A CA 0.559 52.601 52.037 0.008 0.000 0.858 346 A CB -0.936 18.067 19.000 0.005 0.000 0.820 346 A HN 0.542 nan 8.150 nan 0.000 0.484 347 L N -1.226 120.005 121.223 0.012 0.000 2.121 347 L HA -0.069 4.271 4.340 -0.000 0.000 0.200 347 L C 3.127 180.013 176.870 0.027 0.000 1.077 347 L CA 1.001 55.851 54.840 0.017 0.000 0.766 347 L CB -0.439 41.629 42.059 0.015 0.000 0.931 347 L HN 0.434 nan 8.230 nan 0.000 0.452 348 R N 0.528 121.045 120.500 0.030 0.000 2.397 348 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 348 R C 1.707 178.021 176.300 0.024 0.000 1.102 348 R CA 1.349 57.470 56.100 0.036 0.000 1.040 348 R CB -1.538 28.785 30.300 0.038 0.000 0.844 348 R HN 0.539 nan 8.270 nan 0.000 0.478 349 A N -1.253 121.578 122.820 0.019 0.000 2.303 349 A HA 0.641 4.961 4.320 -0.000 0.000 0.217 349 A C 2.327 179.922 177.584 0.018 0.000 1.205 349 A CA 0.825 52.870 52.037 0.014 0.000 0.875 349 A CB 0.104 19.110 19.000 0.010 0.000 0.910 349 A HN 0.714 nan 8.150 nan 0.000 0.501 350 A N -0.780 122.055 122.820 0.026 0.000 1.942 350 A HA 0.214 4.534 4.320 -0.000 0.000 0.209 350 A C 1.975 179.595 177.584 0.060 0.000 1.214 350 A CA 1.070 53.127 52.037 0.034 0.000 0.686 350 A CB -0.827 18.187 19.000 0.022 0.000 0.871 350 A HN 0.812 nan 8.150 nan 0.000 0.460 351 V N 0.167 120.118 119.914 0.061 0.000 2.867 351 V HA -0.108 4.012 4.120 -0.000 0.000 0.260 351 V C 2.290 178.397 176.094 0.022 0.000 1.099 351 V CA 2.014 64.364 62.300 0.083 0.000 1.122 351 V CB -0.683 31.188 31.823 0.081 0.000 0.708 351 V HN 0.566 nan 8.190 nan 0.000 0.490 352 A N -0.199 122.626 122.820 0.009 0.000 1.823 352 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 352 A C 2.110 179.696 177.584 0.003 0.000 1.225 352 A CA 1.410 53.436 52.037 -0.019 0.000 0.604 352 A CB -0.784 18.208 19.000 -0.013 0.000 0.878 352 A HN 0.522 nan 8.150 nan 0.000 0.450 353 E N -0.594 119.623 120.200 0.028 0.000 2.147 353 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 353 E C 1.816 178.461 176.600 0.075 0.000 1.005 353 E CA 1.853 58.276 56.400 0.038 0.000 0.810 353 E CB -0.524 29.202 29.700 0.042 0.000 0.736 353 E HN 0.802 nan 8.360 nan 0.000 0.460 354 H N 0.652 119.721 119.070 -0.003 0.000 2.319 354 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 354 H C 1.919 177.249 175.328 0.003 0.000 1.092 354 H CA 1.160 57.217 56.048 0.015 0.000 1.302 354 H CB -0.205 29.584 29.762 0.044 0.000 1.373 354 H HN 0.028 nan 8.280 nan 0.000 0.497 355 L N 0.542 121.724 121.223 -0.068 0.000 2.275 355 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 355 L C 2.215 179.016 176.870 -0.116 0.000 1.119 355 L CA 1.347 56.096 54.840 -0.151 0.000 0.790 355 L CB -0.743 41.217 42.059 -0.165 0.000 0.919 355 L HN 0.389 nan 8.230 nan 0.000 0.443 356 R N -0.776 119.681 120.500 -0.072 0.000 2.153 356 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 356 R C 1.260 177.529 176.300 -0.051 0.000 1.072 356 R CA 0.544 56.610 56.100 -0.057 0.000 0.990 356 R CB -0.157 30.124 30.300 -0.032 0.000 0.889 356 R HN 0.326 nan 8.270 nan 0.000 0.452 357 G N 1.250 110.017 108.800 -0.056 0.000 2.621 357 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.271 357 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.271 357 G C -0.197 174.669 174.900 -0.057 0.000 1.236 357 G CA -0.260 44.815 45.100 -0.042 0.000 0.958 357 G HN 0.245 nan 8.290 nan 0.000 0.512 358 D N -2.299 118.084 120.400 -0.028 0.000 2.395 358 D HA 0.122 4.762 4.640 -0.000 0.000 0.226 358 D C 0.224 176.515 176.300 -0.015 0.000 1.146 358 D CA -0.026 53.964 54.000 -0.016 0.000 0.830 358 D CB 0.386 41.189 40.800 0.004 0.000 0.958 358 D HN 0.395 nan 8.370 nan 0.000 0.501 359 E N 0.314 120.486 120.200 -0.047 0.000 2.874 359 E HA 0.175 4.525 4.350 -0.000 0.000 0.320 359 E C -1.310 175.226 176.600 -0.107 0.000 1.141 359 E CA -0.448 55.941 56.400 -0.019 0.000 0.774 359 E CB 1.735 31.460 29.700 0.042 0.000 1.542 359 E HN -0.016 nan 8.360 nan 0.000 0.380 360 V N 2.386 122.208 119.914 -0.152 0.000 2.488 360 V HA 0.198 4.318 4.120 -0.000 0.000 0.277 360 V C 0.259 176.399 176.094 0.077 0.000 1.046 360 V CA -0.427 61.731 62.300 -0.236 0.000 0.986 360 V CB 1.345 33.096 31.823 -0.120 0.000 0.989 360 V HN 0.262 nan 8.190 nan 0.000 0.475 361 V N 6.981 127.109 119.914 0.357 0.000 2.370 361 V HA 0.470 4.590 4.120 -0.000 0.000 0.283 361 V C -0.060 176.153 176.094 0.199 0.000 1.023 361 V CA -0.351 62.106 62.300 0.261 0.000 0.857 361 V CB 1.608 33.575 31.823 0.240 0.000 0.985 361 V HN 0.660 nan 8.190 nan 0.000 0.443 362 I N 4.327 124.924 120.570 0.047 0.000 2.355 362 I HA 0.568 4.737 4.170 -0.000 0.000 0.288 362 I C 0.679 176.720 176.117 -0.126 0.000 0.999 362 I CA -0.242 60.992 61.300 -0.111 0.000 1.163 362 I CB 1.740 39.676 38.000 -0.106 0.000 1.316 362 I HN 0.705 nan 8.210 nan 0.000 0.454 363 G N 7.494 116.195 108.800 -0.165 0.000 2.422 363 G HA2 0.729 4.689 3.960 -0.000 0.000 0.317 363 G HA3 0.729 4.689 3.960 -0.000 0.000 0.317 363 G C -0.711 174.116 174.900 -0.122 0.000 1.210 363 G CA -0.332 44.699 45.100 -0.115 0.000 0.930 363 G HN 0.463 nan 8.290 nan 0.000 0.468 364 I N 1.451 121.968 120.570 -0.087 0.000 2.648 364 I HA 0.410 4.580 4.170 -0.000 0.000 0.304 364 I C -0.787 175.306 176.117 -0.040 0.000 1.009 364 I CA -0.790 60.470 61.300 -0.067 0.000 1.114 364 I CB 2.562 40.526 38.000 -0.059 0.000 1.293 364 I HN 0.301 nan 8.210 nan 0.000 0.449 365 D N 5.460 125.846 120.400 -0.025 0.000 2.575 365 D HA 0.264 4.904 4.640 -0.000 0.000 0.250 365 D C 0.350 176.648 176.300 -0.003 0.000 1.279 365 D CA -0.343 53.648 54.000 -0.014 0.000 0.925 365 D CB 1.673 42.463 40.800 -0.017 0.000 1.261 365 D HN 0.456 nan 8.370 nan 0.000 0.567 366 L N 2.805 124.026 121.223 -0.003 0.000 2.478 366 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 366 L C 1.548 178.420 176.870 0.003 0.000 1.140 366 L CA 0.531 55.371 54.840 0.001 0.000 0.842 366 L CB -0.432 41.626 42.059 -0.002 0.000 0.953 366 L HN 0.637 nan 8.230 nan 0.000 0.452 367 A N 0.359 123.179 122.820 -0.001 0.000 2.704 367 A HA -0.233 4.087 4.320 -0.000 0.000 0.299 367 A C 1.114 178.697 177.584 -0.001 0.000 1.507 367 A CA 1.209 53.245 52.037 -0.002 0.000 0.776 367 A CB -1.973 17.026 19.000 -0.002 0.000 1.027 367 A HN 0.543 nan 8.150 nan 0.000 0.475 368 I N -2.684 117.885 120.570 -0.001 0.000 3.565 368 I HA 0.480 4.650 4.170 -0.000 0.000 0.287 368 I C 1.327 177.443 176.117 -0.002 0.000 1.193 368 I CA 0.902 62.201 61.300 -0.001 0.000 1.402 368 I CB 0.241 38.241 38.000 -0.001 0.000 1.284 368 I HN 0.774 nan 8.210 nan 0.000 0.454 369 A N 1.081 123.900 122.820 -0.001 0.000 3.963 369 A HA 0.343 4.663 4.320 -0.000 0.000 0.283 369 A C -1.090 176.493 177.584 -0.001 0.000 1.085 369 A CA 0.092 52.129 52.037 -0.001 0.000 0.591 369 A CB -0.067 18.933 19.000 0.000 0.000 1.632 369 A HN 0.175 nan 8.150 nan 0.000 0.761 370 D N -0.153 120.247 120.400 0.000 0.000 2.395 370 D HA 0.353 4.993 4.640 -0.000 0.000 0.213 370 D C 0.759 177.063 176.300 0.006 0.000 1.110 370 D CA 0.586 54.586 54.000 0.000 0.000 0.835 370 D CB -0.269 40.530 40.800 -0.002 0.000 0.965 370 D HN 0.740 nan 8.370 nan 0.000 0.505 371 G N -0.020 108.787 108.800 0.012 0.000 2.406 371 G HA2 0.499 4.459 3.960 -0.000 0.000 0.251 371 G HA3 0.499 4.459 3.960 -0.000 0.000 0.251 371 G C -0.379 174.543 174.900 0.036 0.000 1.271 371 G CA -0.031 45.084 45.100 0.025 0.000 0.859 371 G HN 0.437 nan 8.290 nan 0.000 0.540 372 A N 1.232 124.088 122.820 0.059 0.000 2.556 372 A HA 0.888 5.208 4.320 -0.000 0.000 0.294 372 A C -1.594 176.087 177.584 0.161 0.000 1.091 372 A CA -0.649 51.431 52.037 0.072 0.000 0.704 372 A CB 1.876 20.887 19.000 0.018 0.000 1.300 372 A HN 1.242 nan 8.150 nan 0.000 0.406 373 F N -0.442 119.485 119.950 -0.039 0.000 2.725 373 F HA 0.610 5.136 4.527 -0.001 0.000 0.309 373 F C -0.752 175.005 175.800 -0.072 0.000 1.132 373 F CA 0.131 58.106 58.000 -0.042 0.000 0.957 373 F CB 1.969 40.948 39.000 -0.035 0.000 1.286 373 F HN 0.614 nan 8.300 nan 0.000 0.440 374 T N 3.872 118.254 114.554 -0.286 0.000 2.861 374 T HA 0.716 5.066 4.350 -0.000 0.000 0.287 374 T C -1.277 173.331 174.700 -0.153 0.000 1.003 374 T CA -0.630 61.337 62.100 -0.221 0.000 0.977 374 T CB 1.645 70.301 68.868 -0.353 0.000 0.996 374 T HN 0.718 nan 8.240 nan 0.000 0.448 375 V N 0.526 120.328 119.914 -0.187 0.000 2.789 375 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 375 V C -1.790 174.096 176.094 -0.346 0.000 1.073 375 V CA -1.211 61.044 62.300 -0.077 0.000 0.921 375 V CB 1.222 33.100 31.823 0.092 0.000 1.009 375 V HN 0.804 nan 8.190 nan 0.000 0.426 376 Y N 2.100 122.416 120.300 0.027 0.000 2.487 376 Y HA 0.995 5.544 4.550 -0.000 0.000 0.337 376 Y C 0.876 176.780 175.900 0.007 0.000 1.076 376 Y CA 0.252 58.353 58.100 0.002 0.000 1.115 376 Y CB 2.360 40.802 38.460 -0.031 0.000 1.235 376 Y HN 1.180 nan 8.280 nan 0.000 0.468 377 G N -0.699 108.189 108.800 0.146 0.000 2.588 377 G HA2 0.545 4.505 3.960 -0.000 0.000 0.281 377 G HA3 0.545 4.505 3.960 -0.000 0.000 0.281 377 G C -1.488 173.450 174.900 0.064 0.000 1.223 377 G CA -0.225 44.924 45.100 0.082 0.000 0.871 377 G HN 1.181 nan 8.290 nan 0.000 0.492 378 C N -0.094 119.225 119.300 0.031 0.000 3.312 378 C HA 0.758 5.218 4.460 -0.000 0.000 0.332 378 C C -0.969 174.020 174.990 -0.001 0.000 1.340 378 C CA -0.333 58.700 59.018 0.024 0.000 1.265 378 C CB 1.271 29.028 27.740 0.028 0.000 1.563 378 C HN 1.091 nan 8.230 nan 0.000 0.471 379 D N 0.986 121.392 120.400 0.010 0.000 2.377 379 D HA 0.387 5.027 4.640 -0.000 0.000 0.245 379 D C -0.651 175.610 176.300 -0.064 0.000 1.196 379 D CA -0.268 53.735 54.000 0.005 0.000 0.962 379 D CB 1.054 41.899 40.800 0.075 0.000 1.127 379 D HN 0.697 nan 8.370 nan 0.000 0.471 380 L N 1.343 122.507 121.223 -0.098 0.000 2.264 380 L HA 0.308 4.647 4.340 -0.000 0.000 0.287 380 L C 0.086 176.758 176.870 -0.329 0.000 1.039 380 L CA -0.106 54.624 54.840 -0.184 0.000 0.829 380 L CB 0.525 42.488 42.059 -0.160 0.000 1.211 380 L HN 0.662 nan 8.230 nan 0.000 0.427 381 T N 0.383 114.716 114.554 -0.369 0.000 2.910 381 T HA 0.441 4.790 4.350 -0.000 0.000 0.279 381 T C 0.714 175.267 174.700 -0.246 0.000 0.989 381 T CA -0.511 61.212 62.100 -0.627 0.000 0.968 381 T CB 0.945 69.558 68.868 -0.426 0.000 1.135 381 T HN 0.532 nan 8.240 nan 0.000 0.562 382 E N -0.118 119.980 120.200 -0.169 0.000 2.511 382 E HA 0.190 4.540 4.350 -0.000 0.000 0.196 382 E C 1.990 178.588 176.600 -0.003 0.000 1.066 382 E CA 0.533 56.911 56.400 -0.038 0.000 0.871 382 E CB -0.461 29.241 29.700 0.003 0.000 0.863 382 E HN 0.826 nan 8.360 nan 0.000 0.520 383 G N -0.077 108.718 108.800 -0.008 0.000 2.453 383 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 383 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 383 G C 1.327 176.246 174.900 0.033 0.000 1.147 383 G CA 0.136 45.242 45.100 0.011 0.000 0.802 383 G HN 0.290 nan 8.290 nan 0.000 0.535 384 Y N 1.392 121.656 120.300 -0.060 0.000 2.200 384 Y HA -0.076 4.474 4.550 -0.000 0.000 0.290 384 Y C 2.696 178.574 175.900 -0.036 0.000 1.137 384 Y CA 1.336 59.410 58.100 -0.044 0.000 1.163 384 Y CB -0.197 38.233 38.460 -0.051 0.000 0.988 384 Y HN 0.025 nan 8.280 nan 0.000 0.518 385 V N 0.625 120.667 119.914 0.212 0.000 2.295 385 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 385 V C 2.492 178.591 176.094 0.008 0.000 1.049 385 V CA 2.336 64.711 62.300 0.126 0.000 1.024 385 V CB -0.737 31.140 31.823 0.089 0.000 0.648 385 V HN 0.290 nan 8.190 nan 0.000 0.447 386 R N -0.235 120.263 120.500 -0.003 0.000 2.073 386 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 386 R C 2.316 178.582 176.300 -0.057 0.000 1.134 386 R CA 1.863 57.950 56.100 -0.023 0.000 0.952 386 R CB -0.396 29.897 30.300 -0.013 0.000 0.850 386 R HN 0.533 nan 8.270 nan 0.000 0.433 387 L N 0.396 121.563 121.223 -0.093 0.000 2.093 387 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 387 L C 0.625 177.395 176.870 -0.168 0.000 1.085 387 L CA 1.465 56.230 54.840 -0.125 0.000 0.755 387 L CB -0.072 41.901 42.059 -0.142 0.000 0.904 387 L HN 0.199 nan 8.230 nan 0.000 0.435 388 N N 0.133 118.679 118.700 -0.256 0.000 2.389 388 N HA 0.112 4.851 4.740 -0.000 0.000 0.237 388 N C 0.750 176.187 175.510 -0.122 0.000 1.148 388 N CA 0.835 53.738 53.050 -0.245 0.000 0.854 388 N CB 0.907 39.133 38.487 -0.434 0.000 1.115 388 N HN 0.547 nan 8.380 nan 0.000 0.492 389 S N -0.348 115.302 115.700 -0.084 0.000 2.651 389 S HA 0.175 4.645 4.470 -0.000 0.000 0.259 389 S C 0.650 175.228 174.600 -0.037 0.000 1.073 389 S CA -0.104 58.069 58.200 -0.045 0.000 1.090 389 S CB 0.776 63.961 63.200 -0.027 0.000 1.042 389 S HN 0.152 nan 8.310 nan 0.000 0.581 390 E N 0.000 120.173 120.200 -0.045 0.000 2.725 390 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 390 E CA 0.000 56.380 56.400 -0.033 0.000 0.976 390 E CB 0.000 29.683 29.700 -0.028 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440