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 2i9p_1_C DATA FIRST_RESID 40 DATA SEQUENCE MPVGFIGLGN MGNPMAKNLM KHGYPLIIYD VFPDACKEFQ DAGEQVVSSP DATA SEQUENCE ADVAEKADRI ITMLPTSINA IEAYSGANGI LKKVKKGSLL IDSSTIDPAV DATA SEQUENCE SKELAKEVEK MGAVFMDAPV SGGVGAARSG NLTFMVGGVE DEFAAAQELL DATA SEQUENCE GCMGSNVVYC GAVGTGQAAK ICNNMLLAIS MIGTAEAMNL GIRLGLDPKL DATA SEQUENCE LAKILNMSSG RCWSSDTYNP VPGVMDGVPS ANNYQGGFGT TLMAKDLGLA DATA SEQUENCE QDSATSTKSP ILLGSLAHQI YRMMCAKGYS KKDFSSVFQF LRE 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 40 M HA 0.000 nan 4.480 nan 0.000 0.227 40 M C 0.000 176.388 176.300 0.146 0.000 1.140 40 M CA 0.000 55.363 55.300 0.105 0.000 0.988 40 M CB 0.000 32.666 32.600 0.111 0.000 1.302 41 P HA 0.593 nan 4.420 nan 0.000 0.269 41 P C -0.655 176.685 177.300 0.067 0.000 1.209 41 P CA -0.131 63.026 63.100 0.095 0.000 0.776 41 P CB 1.142 32.878 31.700 0.061 0.000 0.876 42 V N 2.117 122.070 119.914 0.066 0.000 2.540 42 V HA 0.565 4.686 4.120 0.001 0.000 0.302 42 V C 0.740 176.864 176.094 0.050 0.000 1.035 42 V CA -0.561 61.745 62.300 0.010 0.000 0.873 42 V CB 1.959 33.747 31.823 -0.058 0.000 0.992 42 V HN 0.802 nan 8.190 nan 0.000 0.428 43 G N 2.761 111.571 108.800 0.018 0.000 2.356 43 G HA2 0.598 4.559 3.960 0.001 0.000 0.298 43 G HA3 0.598 4.559 3.960 0.001 0.000 0.298 43 G C -1.391 173.533 174.900 0.041 0.000 1.145 43 G CA -0.150 44.967 45.100 0.028 0.000 0.850 43 G HN 0.447 nan 8.290 nan 0.000 0.487 44 F N 2.364 122.280 119.950 -0.056 0.000 2.539 44 F HA 0.528 5.056 4.527 0.001 0.000 0.328 44 F C -0.231 175.537 175.800 -0.054 0.000 1.148 44 F CA -0.888 57.070 58.000 -0.070 0.000 0.940 44 F CB 1.713 40.648 39.000 -0.110 0.000 1.194 44 F HN 0.223 nan 8.300 nan 0.000 0.438 45 I N 4.854 125.386 120.570 -0.063 0.000 2.355 45 I HA 0.600 4.771 4.170 0.001 0.000 0.288 45 I C 0.022 176.167 176.117 0.046 0.000 0.999 45 I CA -0.665 60.660 61.300 0.043 0.000 1.163 45 I CB 1.373 39.366 38.000 -0.011 0.000 1.316 45 I HN 0.774 nan 8.210 nan 0.000 0.454 46 G N 6.198 115.056 108.800 0.096 0.000 3.383 46 G HA2 -0.108 3.852 3.960 0.001 0.000 0.685 46 G HA3 -0.108 3.852 3.960 0.001 0.000 0.685 46 G C -1.080 173.919 174.900 0.166 0.000 1.104 46 G CA -0.948 44.207 45.100 0.092 0.000 0.957 46 G HN 0.487 nan 8.290 nan 0.000 0.461 47 L N 3.066 124.342 121.223 0.088 0.000 2.732 47 L HA 0.580 4.920 4.340 0.001 0.000 0.246 47 L C 1.383 178.307 176.870 0.090 0.000 1.407 47 L CA 0.549 55.431 54.840 0.070 0.000 0.861 47 L CB 0.767 42.769 42.059 -0.095 0.000 1.161 47 L HN 0.801 nan 8.230 nan 0.000 0.510 48 G N -0.555 108.299 108.800 0.091 0.000 2.975 48 G HA2 0.082 4.043 3.960 0.001 0.000 0.159 48 G HA3 0.082 4.043 3.960 0.001 0.000 0.159 48 G C 0.824 175.774 174.900 0.083 0.000 1.525 48 G CA -0.178 44.961 45.100 0.066 0.000 1.075 48 G HN 0.293 nan 8.290 nan 0.000 0.574 49 N N -0.371 118.372 118.700 0.072 0.000 2.120 49 N HA -0.070 4.671 4.740 0.001 0.000 0.188 49 N C 2.141 177.707 175.510 0.094 0.000 1.024 49 N CA 1.119 54.217 53.050 0.079 0.000 0.852 49 N CB -0.149 38.386 38.487 0.081 0.000 1.003 49 N HN 0.202 nan 8.380 nan 0.000 0.424 50 M N -0.633 119.029 119.600 0.104 0.000 2.447 50 M HA 0.169 4.650 4.480 0.001 0.000 0.266 50 M C 2.167 178.557 176.300 0.150 0.000 1.120 50 M CA 0.571 55.937 55.300 0.111 0.000 1.166 50 M CB -1.249 31.409 32.600 0.096 0.000 1.349 50 M HN 0.059 nan 8.290 nan 0.000 0.463 51 G N 1.149 110.056 108.800 0.178 0.000 2.418 51 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 51 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 51 G C 1.474 176.416 174.900 0.070 0.000 1.158 51 G CA 0.995 46.249 45.100 0.257 0.000 0.771 51 G HN 0.455 nan 8.290 nan 0.000 0.545 52 N N 1.395 120.158 118.700 0.106 0.000 2.007 52 N HA -0.098 4.642 4.740 0.001 0.000 0.197 52 N C 0.114 175.707 175.510 0.137 0.000 1.050 52 N CA 1.961 55.124 53.050 0.188 0.000 0.856 52 N CB -0.841 37.763 38.487 0.194 0.000 1.050 52 N HN 0.202 nan 8.380 nan 0.000 0.423 53 P HA -0.092 nan 4.420 nan 0.000 0.217 53 P C 1.827 179.166 177.300 0.065 0.000 1.151 53 P CA 1.205 64.349 63.100 0.073 0.000 0.828 53 P CB -0.127 31.616 31.700 0.073 0.000 0.788 54 M N 0.014 119.657 119.600 0.073 0.000 2.065 54 M HA -0.156 4.325 4.480 0.001 0.000 0.259 54 M C 2.415 178.673 176.300 -0.069 0.000 1.069 54 M CA 2.392 57.756 55.300 0.107 0.000 1.110 54 M CB -1.052 31.724 32.600 0.293 0.000 1.328 54 M HN -0.089 nan 8.290 nan 0.000 0.405 55 A N 0.181 122.731 122.820 -0.450 0.000 1.940 55 A HA -0.201 4.120 4.320 0.001 0.000 0.219 55 A C 2.082 179.604 177.584 -0.103 0.000 1.176 55 A CA 1.866 53.492 52.037 -0.686 0.000 0.631 55 A CB -0.578 17.826 19.000 -0.993 0.000 0.814 55 A HN 0.452 nan 8.150 nan 0.000 0.446 56 K N -0.432 119.997 120.400 0.048 0.000 2.057 56 K HA -0.101 4.220 4.320 0.001 0.000 0.206 56 K C 1.704 178.350 176.600 0.078 0.000 1.050 56 K CA 1.267 57.605 56.287 0.087 0.000 0.935 56 K CB -0.181 32.349 32.500 0.051 0.000 0.715 56 K HN 0.383 nan 8.250 nan 0.000 0.439 57 N N 1.044 119.798 118.700 0.091 0.000 2.244 57 N HA -0.102 4.638 4.740 0.001 0.000 0.183 57 N C 1.748 177.394 175.510 0.225 0.000 1.016 57 N CA 0.890 54.026 53.050 0.144 0.000 0.866 57 N CB -0.067 38.522 38.487 0.170 0.000 0.980 57 N HN 0.142 nan 8.380 nan 0.000 0.430 58 L N 0.420 121.762 121.223 0.198 0.000 2.131 58 L HA -0.077 4.264 4.340 0.001 0.000 0.210 58 L C 2.212 179.268 176.870 0.310 0.000 1.092 58 L CA 0.863 55.877 54.840 0.289 0.000 0.759 58 L CB -0.232 41.936 42.059 0.181 0.000 0.903 58 L HN 0.153 nan 8.230 nan 0.000 0.435 59 M N -1.372 118.337 119.600 0.182 0.000 2.200 59 M HA -0.180 4.301 4.480 0.001 0.000 0.265 59 M C 2.513 178.860 176.300 0.079 0.000 1.066 59 M CA 1.288 56.666 55.300 0.130 0.000 1.127 59 M CB -0.341 32.317 32.600 0.096 0.000 1.379 59 M HN -0.093 nan 8.290 nan 0.000 0.420 60 K N -0.678 119.760 120.400 0.062 0.000 2.097 60 K HA -0.167 4.154 4.320 0.001 0.000 0.206 60 K C 1.560 178.106 176.600 -0.090 0.000 1.049 60 K CA 1.572 57.841 56.287 -0.030 0.000 0.933 60 K CB -0.856 31.605 32.500 -0.065 0.000 0.717 60 K HN 0.572 nan 8.250 nan 0.000 0.442 61 H N -1.751 117.349 119.070 0.049 0.000 2.551 61 H HA 0.220 4.776 4.556 0.001 0.000 0.266 61 H C 1.113 176.339 175.328 -0.170 0.000 0.977 61 H CA 0.763 56.810 56.048 -0.002 0.000 1.163 61 H CB 0.531 30.356 29.762 0.105 0.000 1.381 61 H HN 0.506 nan 8.280 nan 0.000 0.581 62 G N -0.148 108.623 108.800 -0.048 0.000 2.392 62 G HA2 -0.232 3.728 3.960 0.001 0.000 0.215 62 G HA3 -0.232 3.728 3.960 0.001 0.000 0.215 62 G C -0.988 173.746 174.900 -0.277 0.000 1.097 62 G CA -0.687 44.323 45.100 -0.151 0.000 0.840 62 G HN 0.230 nan 8.290 nan 0.000 0.492 63 Y N -0.159 120.180 120.300 0.066 0.000 2.341 63 Y HA 0.553 5.104 4.550 0.001 0.000 0.337 63 Y C -1.935 173.998 175.900 0.054 0.000 1.014 63 Y CA -2.591 55.543 58.100 0.057 0.000 1.111 63 Y CB 1.999 40.497 38.460 0.063 0.000 1.194 63 Y HN 0.060 nan 8.280 nan 0.000 0.462 64 P HA 0.187 nan 4.420 nan 0.000 0.276 64 P C -1.180 176.208 177.300 0.147 0.000 1.235 64 P CA -0.192 62.992 63.100 0.139 0.000 0.772 64 P CB 0.673 32.434 31.700 0.102 0.000 0.871 65 L N 4.044 125.342 121.223 0.125 0.000 2.325 65 L HA 0.452 4.792 4.340 0.001 0.000 0.278 65 L C 0.358 177.279 176.870 0.085 0.000 1.023 65 L CA -0.139 54.765 54.840 0.106 0.000 0.811 65 L CB 0.978 43.086 42.059 0.081 0.000 1.249 65 L HN 0.295 nan 8.230 nan 0.000 0.431 66 I N 4.266 124.883 120.570 0.078 0.000 2.388 66 I HA 0.284 4.454 4.170 0.001 0.000 0.281 66 I C -0.583 175.578 176.117 0.073 0.000 1.046 66 I CA -0.387 60.953 61.300 0.067 0.000 1.187 66 I CB 0.628 38.658 38.000 0.051 0.000 1.351 66 I HN 0.316 nan 8.210 nan 0.000 0.472 67 I N 6.285 126.889 120.570 0.057 0.000 2.472 67 I HA 0.264 4.435 4.170 0.001 0.000 0.290 67 I C -0.491 175.700 176.117 0.123 0.000 1.016 67 I CA -0.478 60.837 61.300 0.025 0.000 1.348 67 I CB 0.906 38.842 38.000 -0.106 0.000 1.417 67 I HN 0.404 nan 8.210 nan 0.000 0.521 68 Y N 4.701 124.989 120.300 -0.021 0.000 2.519 68 Y HA 0.503 5.053 4.550 0.001 0.000 0.336 68 Y C -1.470 174.433 175.900 0.005 0.000 1.089 68 Y CA -0.832 57.263 58.100 -0.009 0.000 1.025 68 Y CB 1.686 40.135 38.460 -0.018 0.000 1.318 68 Y HN 0.625 nan 8.280 nan 0.000 0.452 69 D N 4.070 123.885 120.400 -0.974 0.000 2.927 69 D HA 0.099 4.740 4.640 0.001 0.000 0.219 69 D C -0.357 175.503 176.300 -0.734 0.000 1.248 69 D CA -0.304 53.313 54.000 -0.638 0.000 0.861 69 D CB 2.970 43.647 40.800 -0.205 0.000 1.677 69 D HN 0.583 nan 8.370 nan 0.000 0.511 70 V N 4.305 123.977 119.914 -0.404 0.000 2.720 70 V HA -0.002 4.119 4.120 0.001 0.000 0.256 70 V C 0.631 176.695 176.094 -0.050 0.000 1.082 70 V CA 1.121 63.329 62.300 -0.152 0.000 1.101 70 V CB -0.428 31.415 31.823 0.034 0.000 0.693 70 V HN 0.431 nan 8.190 nan 0.000 0.479 71 F N 2.658 122.535 119.950 -0.121 0.000 2.350 71 F HA 0.438 4.965 4.527 0.001 0.000 0.365 71 F C -0.943 174.810 175.800 -0.078 0.000 1.122 71 F CA -2.254 55.706 58.000 -0.067 0.000 1.139 71 F CB 1.543 40.524 39.000 -0.032 0.000 1.220 71 F HN 0.084 nan 8.300 nan 0.000 0.499 72 P HA -0.128 nan 4.420 nan 0.000 0.222 72 P C 0.847 178.163 177.300 0.026 0.000 1.153 72 P CA 1.127 64.175 63.100 -0.086 0.000 0.798 72 P CB 0.322 31.942 31.700 -0.134 0.000 0.796 73 D N 0.889 121.335 120.400 0.078 0.000 2.149 73 D HA -0.138 4.502 4.640 0.001 0.000 0.198 73 D C 2.061 178.495 176.300 0.222 0.000 0.990 73 D CA 1.597 55.708 54.000 0.185 0.000 0.839 73 D CB -0.564 40.422 40.800 0.310 0.000 0.948 73 D HN 0.128 nan 8.370 nan 0.000 0.460 74 A N 0.422 123.419 122.820 0.296 0.000 2.076 74 A HA -0.198 4.123 4.320 0.001 0.000 0.220 74 A C 2.456 180.179 177.584 0.231 0.000 1.160 74 A CA 1.170 53.337 52.037 0.216 0.000 0.653 74 A CB -0.704 18.402 19.000 0.177 0.000 0.801 74 A HN 0.350 nan 8.150 nan 0.000 0.455 75 C N -1.517 117.889 119.300 0.178 0.000 2.512 75 C HA 0.203 4.664 4.460 0.001 0.000 0.276 75 C C 3.216 178.363 174.990 0.262 0.000 1.368 75 C CA 0.920 60.065 59.018 0.212 0.000 1.755 75 C CB -0.758 27.031 27.740 0.082 0.000 2.008 75 C HN 0.763 nan 8.230 nan 0.000 0.511 76 K N 1.337 121.833 120.400 0.160 0.000 2.107 76 K HA -0.302 4.019 4.320 0.001 0.000 0.211 76 K C 1.713 178.359 176.600 0.076 0.000 1.049 76 K CA 2.355 58.703 56.287 0.102 0.000 0.927 76 K CB -1.055 31.487 32.500 0.071 0.000 0.714 76 K HN 0.755 nan 8.250 nan 0.000 0.452 77 E N -1.512 118.716 120.200 0.048 0.000 2.153 77 E HA -0.117 4.233 4.350 0.001 0.000 0.194 77 E C 1.728 178.182 176.600 -0.242 0.000 0.988 77 E CA 1.279 57.594 56.400 -0.142 0.000 0.811 77 E CB -0.163 29.365 29.700 -0.287 0.000 0.746 77 E HN 0.720 nan 8.360 nan 0.000 0.466 78 F N 0.300 120.252 119.950 0.004 0.000 2.387 78 F HA 0.055 4.582 4.527 0.001 0.000 0.294 78 F C 2.508 178.315 175.800 0.011 0.000 1.093 78 F CA 0.567 58.569 58.000 0.003 0.000 1.420 78 F CB -0.199 38.801 39.000 -0.000 0.000 1.086 78 F HN 0.009 nan 8.300 nan 0.000 0.531 79 Q N 0.582 120.490 119.800 0.180 0.000 2.226 79 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 79 Q C 1.109 177.145 176.000 0.060 0.000 0.975 79 Q CA 1.760 57.627 55.803 0.107 0.000 0.866 79 Q CB -0.035 28.755 28.738 0.086 0.000 0.915 79 Q HN 0.299 nan 8.270 nan 0.000 0.440 80 D N -0.159 120.260 120.400 0.031 0.000 2.162 80 D HA -0.062 4.579 4.640 0.001 0.000 0.203 80 D C 1.443 177.739 176.300 -0.007 0.000 0.967 80 D CA 1.166 55.166 54.000 0.000 0.000 0.840 80 D CB -0.214 40.569 40.800 -0.029 0.000 0.972 80 D HN 0.347 nan 8.370 nan 0.000 0.482 81 A N -0.235 122.578 122.820 -0.013 0.000 2.168 81 A HA 0.348 4.669 4.320 0.001 0.000 0.215 81 A C 1.855 179.454 177.584 0.025 0.000 1.152 81 A CA 1.459 53.489 52.037 -0.011 0.000 0.716 81 A CB -0.292 18.689 19.000 -0.031 0.000 0.794 81 A HN 0.310 nan 8.150 nan 0.000 0.465 82 G N -1.486 107.340 108.800 0.043 0.000 2.184 82 G HA2 -0.141 3.819 3.960 0.001 0.000 0.206 82 G HA3 -0.141 3.819 3.960 0.001 0.000 0.206 82 G C -0.147 174.793 174.900 0.067 0.000 0.995 82 G CA 0.101 45.229 45.100 0.047 0.000 0.651 82 G HN 0.439 nan 8.290 nan 0.000 0.511 83 E N 0.465 120.724 120.200 0.098 0.000 2.318 83 E HA 0.609 4.959 4.350 0.001 0.000 0.265 83 E C 0.541 177.201 176.600 0.100 0.000 1.069 83 E CA 0.318 56.786 56.400 0.113 0.000 0.893 83 E CB 0.637 30.438 29.700 0.168 0.000 1.076 83 E HN 0.815 nan 8.360 nan 0.000 0.414 84 Q N 0.957 120.808 119.800 0.085 0.000 2.296 84 Q HA 0.486 4.827 4.340 0.001 0.000 0.257 84 Q C -0.312 175.735 176.000 0.078 0.000 0.942 84 Q CA -0.716 55.131 55.803 0.073 0.000 0.939 84 Q CB 0.759 29.532 28.738 0.059 0.000 1.198 84 Q HN 0.331 nan 8.270 nan 0.000 0.429 85 V N 2.832 122.795 119.914 0.082 0.000 2.481 85 V HA 0.700 4.820 4.120 0.001 0.000 0.286 85 V C 0.653 176.806 176.094 0.099 0.000 1.042 85 V CA -0.217 62.138 62.300 0.092 0.000 0.928 85 V CB 1.006 32.881 31.823 0.088 0.000 0.986 85 V HN 1.004 nan 8.190 nan 0.000 0.462 86 V N 1.745 121.742 119.914 0.139 0.000 3.166 86 V HA 0.657 4.778 4.120 0.001 0.000 0.317 86 V C 0.933 177.151 176.094 0.206 0.000 1.136 86 V CA 0.139 62.510 62.300 0.119 0.000 1.035 86 V CB 1.834 33.689 31.823 0.053 0.000 1.110 86 V HN 0.844 nan 8.190 nan 0.000 0.450 87 S N -0.183 115.577 115.700 0.099 0.000 2.558 87 S HA 0.302 4.773 4.470 0.001 0.000 0.217 87 S C 0.619 175.211 174.600 -0.014 0.000 0.975 87 S CA 0.419 58.692 58.200 0.122 0.000 0.912 87 S CB -0.785 62.443 63.200 0.047 0.000 0.776 87 S HN 1.945 nan 8.310 nan 0.000 0.526 88 S N -0.920 114.506 115.700 -0.457 0.000 2.615 88 S HA 0.507 4.978 4.470 0.001 0.000 0.268 88 S C -3.032 170.960 174.600 -1.014 0.000 1.146 88 S CA -1.075 56.530 58.200 -0.991 0.000 0.818 88 S CB 0.932 63.895 63.200 -0.396 0.000 1.111 88 S HN -0.052 nan 8.310 nan 0.000 0.465 89 P HA 0.003 nan 4.420 nan 0.000 0.215 89 P C 1.710 178.843 177.300 -0.279 0.000 1.157 89 P CA 2.239 65.072 63.100 -0.445 0.000 0.863 89 P CB -0.290 31.217 31.700 -0.321 0.000 0.787 90 A N -0.056 122.622 122.820 -0.235 0.000 1.927 90 A HA -0.271 4.050 4.320 0.001 0.000 0.220 90 A C 1.938 179.446 177.584 -0.126 0.000 1.185 90 A CA 2.474 54.423 52.037 -0.147 0.000 0.639 90 A CB -1.664 17.267 19.000 -0.116 0.000 0.820 90 A HN 0.119 nan 8.150 nan 0.000 0.451 91 D N -1.074 119.234 120.400 -0.152 0.000 2.277 91 D HA 0.013 4.654 4.640 0.001 0.000 0.208 91 D C 1.890 178.144 176.300 -0.078 0.000 0.962 91 D CA 0.781 54.720 54.000 -0.101 0.000 0.865 91 D CB -0.011 40.734 40.800 -0.091 0.000 0.939 91 D HN 0.230 nan 8.370 nan 0.000 0.510 92 V N 0.853 120.705 119.914 -0.104 0.000 2.307 92 V HA -0.204 3.917 4.120 0.001 0.000 0.245 92 V C 2.484 178.546 176.094 -0.054 0.000 1.045 92 V CA 1.718 63.982 62.300 -0.059 0.000 1.024 92 V CB -0.819 30.967 31.823 -0.061 0.000 0.651 92 V HN 0.200 nan 8.190 nan 0.000 0.449 93 A N 0.210 122.985 122.820 -0.075 0.000 1.908 93 A HA -0.252 4.069 4.320 0.001 0.000 0.218 93 A C 2.310 179.873 177.584 -0.035 0.000 1.181 93 A CA 2.405 54.410 52.037 -0.054 0.000 0.627 93 A CB -0.837 18.127 19.000 -0.060 0.000 0.818 93 A HN 0.647 nan 8.150 nan 0.000 0.445 94 E N -0.021 120.156 120.200 -0.037 0.000 2.265 94 E HA -0.148 4.203 4.350 0.001 0.000 0.196 94 E C 1.838 178.430 176.600 -0.014 0.000 0.996 94 E CA 1.639 58.024 56.400 -0.025 0.000 0.832 94 E CB -0.535 29.148 29.700 -0.028 0.000 0.756 94 E HN 0.783 nan 8.360 nan 0.000 0.491 95 K N -1.717 118.675 120.400 -0.012 0.000 2.425 95 K HA 0.462 4.782 4.320 0.001 0.000 0.201 95 K C 0.345 176.947 176.600 0.004 0.000 1.128 95 K CA 0.489 56.776 56.287 -0.000 0.000 1.000 95 K CB 1.543 34.047 32.500 0.006 0.000 0.961 95 K HN 0.287 nan 8.250 nan 0.000 0.555 96 A N 1.073 123.891 122.820 -0.004 0.000 2.304 96 A HA 0.449 4.769 4.320 0.001 0.000 0.314 96 A C 0.386 177.965 177.584 -0.009 0.000 1.187 96 A CA -0.050 51.985 52.037 -0.002 0.000 0.810 96 A CB 0.842 19.838 19.000 -0.006 0.000 1.183 96 A HN 0.247 nan 8.150 nan 0.000 0.487 97 D N 2.027 122.424 120.400 -0.005 0.000 2.224 97 D HA 0.063 4.703 4.640 0.001 0.000 0.205 97 D C 0.819 177.106 176.300 -0.021 0.000 0.965 97 D CA 1.491 55.486 54.000 -0.008 0.000 0.852 97 D CB -0.100 40.699 40.800 -0.003 0.000 0.947 97 D HN 0.785 nan 8.370 nan 0.000 0.494 98 R N -0.694 119.785 120.500 -0.036 0.000 2.533 98 R HA 0.676 5.016 4.340 0.001 0.000 0.288 98 R C -1.723 174.530 176.300 -0.078 0.000 1.039 98 R CA -0.630 55.434 56.100 -0.060 0.000 0.909 98 R CB 1.310 31.559 30.300 -0.085 0.000 1.195 98 R HN 0.208 nan 8.270 nan 0.000 0.438 99 I N 3.871 124.390 120.570 -0.086 0.000 2.646 99 I HA 0.529 4.699 4.170 0.001 0.000 0.299 99 I C -0.161 175.850 176.117 -0.175 0.000 1.036 99 I CA -1.356 59.875 61.300 -0.115 0.000 1.074 99 I CB 2.295 40.234 38.000 -0.100 0.000 1.258 99 I HN 0.501 nan 8.210 nan 0.000 0.430 100 I N 3.201 123.594 120.570 -0.297 0.000 2.569 100 I HA 0.447 4.618 4.170 0.001 0.000 0.296 100 I C -0.423 175.372 176.117 -0.537 0.000 1.028 100 I CA -0.558 60.482 61.300 -0.433 0.000 1.082 100 I CB 2.363 40.005 38.000 -0.597 0.000 1.264 100 I HN 0.563 nan 8.210 nan 0.000 0.429 101 T N 2.769 117.134 114.554 -0.315 0.000 2.840 101 T HA 0.585 4.935 4.350 0.001 0.000 0.287 101 T C -0.644 173.994 174.700 -0.105 0.000 0.991 101 T CA -0.643 61.341 62.100 -0.193 0.000 0.964 101 T CB 1.624 70.494 68.868 0.003 0.000 0.954 101 T HN 0.463 nan 8.240 nan 0.000 0.438 102 M N 5.001 124.552 119.600 -0.082 0.000 2.561 102 M HA 0.524 5.004 4.480 0.001 0.000 0.266 102 M C -1.739 174.604 176.300 0.071 0.000 1.080 102 M CA -1.069 54.251 55.300 0.034 0.000 0.993 102 M CB -0.533 32.140 32.600 0.122 0.000 1.303 102 M HN 0.682 nan 8.290 nan 0.000 0.462 103 L N 3.182 124.448 121.223 0.072 0.000 2.332 103 L HA 0.634 4.975 4.340 0.001 0.000 0.269 103 L C -1.527 175.386 176.870 0.071 0.000 1.016 103 L CA -2.010 52.877 54.840 0.078 0.000 0.809 103 L CB 0.881 42.997 42.059 0.094 0.000 1.280 103 L HN 0.303 nan 8.230 nan 0.000 0.447 104 P HA -0.060 nan 4.420 nan 0.000 0.211 104 P C 0.311 177.641 177.300 0.050 0.000 1.179 104 P CA 1.078 64.210 63.100 0.054 0.000 0.910 104 P CB 0.264 31.991 31.700 0.045 0.000 0.785 105 T N -4.055 110.529 114.554 0.050 0.000 2.681 105 T HA 0.326 4.677 4.350 0.001 0.000 0.296 105 T C 1.114 175.841 174.700 0.045 0.000 1.157 105 T CA -0.273 61.851 62.100 0.040 0.000 1.025 105 T CB 0.511 69.396 68.868 0.028 0.000 1.441 105 T HN -0.295 nan 8.240 nan 0.000 0.504 106 S N 0.736 116.454 115.700 0.030 0.000 2.389 106 S HA -0.196 4.274 4.470 0.001 0.000 0.229 106 S C 2.115 176.736 174.600 0.036 0.000 1.048 106 S CA 2.510 60.725 58.200 0.025 0.000 1.117 106 S CB -0.953 62.251 63.200 0.007 0.000 1.020 106 S HN 0.715 nan 8.310 nan 0.000 0.430 107 I N 1.202 121.792 120.570 0.034 0.000 2.315 107 I HA -0.246 3.924 4.170 0.001 0.000 0.251 107 I C 1.615 177.767 176.117 0.059 0.000 1.125 107 I CA 1.942 63.266 61.300 0.039 0.000 1.392 107 I CB -0.802 37.218 38.000 0.034 0.000 1.065 107 I HN 0.169 nan 8.210 nan 0.000 0.424 108 N N 2.077 120.818 118.700 0.068 0.000 2.106 108 N HA -0.078 4.663 4.740 0.001 0.000 0.188 108 N C 2.065 177.649 175.510 0.123 0.000 1.029 108 N CA 1.643 54.746 53.050 0.087 0.000 0.848 108 N CB -0.404 38.133 38.487 0.082 0.000 1.007 108 N HN 0.516 nan 8.380 nan 0.000 0.423 109 A N 1.154 124.060 122.820 0.143 0.000 1.873 109 A HA -0.063 4.258 4.320 0.001 0.000 0.215 109 A C 2.171 179.899 177.584 0.240 0.000 1.186 109 A CA 0.967 53.153 52.037 0.248 0.000 0.616 109 A CB -0.791 18.323 19.000 0.188 0.000 0.823 109 A HN 0.208 nan 8.150 nan 0.000 0.442 110 I N -0.601 120.033 120.570 0.107 0.000 2.151 110 I HA -0.300 3.870 4.170 0.001 0.000 0.243 110 I C 2.604 178.779 176.117 0.098 0.000 1.080 110 I CA 2.057 63.398 61.300 0.068 0.000 1.339 110 I CB -0.327 37.687 38.000 0.022 0.000 1.039 110 I HN 0.448 nan 8.210 nan 0.000 0.409 111 E N 1.247 121.502 120.200 0.092 0.000 2.046 111 E HA -0.160 4.191 4.350 0.001 0.000 0.190 111 E C 2.157 178.804 176.600 0.078 0.000 0.982 111 E CA 1.540 57.985 56.400 0.075 0.000 0.800 111 E CB -0.218 29.521 29.700 0.065 0.000 0.756 111 E HN 0.382 nan 8.360 nan 0.000 0.449 112 A N -0.642 122.236 122.820 0.097 0.000 1.948 112 A HA -0.203 4.118 4.320 0.001 0.000 0.220 112 A C 1.943 179.481 177.584 -0.075 0.000 1.177 112 A CA 1.804 53.850 52.037 0.015 0.000 0.636 112 A CB -0.805 18.199 19.000 0.006 0.000 0.815 112 A HN 0.463 nan 8.150 nan 0.000 0.449 113 Y N -0.866 119.439 120.300 0.008 0.000 2.239 113 Y HA 0.022 4.572 4.550 0.001 0.000 0.293 113 Y C 2.836 178.722 175.900 -0.023 0.000 1.126 113 Y CA 1.369 59.466 58.100 -0.005 0.000 1.128 113 Y CB -0.089 38.366 38.460 -0.007 0.000 1.066 113 Y HN 0.207 nan 8.280 nan 0.000 0.516 114 S N -0.140 115.648 115.700 0.146 0.000 2.558 114 S HA 0.113 4.584 4.470 0.001 0.000 0.217 114 S C 1.179 175.798 174.600 0.032 0.000 0.975 114 S CA 0.292 58.528 58.200 0.061 0.000 0.912 114 S CB -0.613 62.606 63.200 0.031 0.000 0.776 114 S HN 0.429 nan 8.310 nan 0.000 0.526 115 G N 0.841 109.660 108.800 0.031 0.000 2.732 115 G HA2 0.370 4.331 3.960 0.001 0.000 0.244 115 G HA3 0.370 4.331 3.960 0.001 0.000 0.244 115 G C 1.126 176.024 174.900 -0.003 0.000 1.226 115 G CA -0.030 45.078 45.100 0.014 0.000 0.860 115 G HN 0.290 nan 8.290 nan 0.000 0.583 116 A N 0.363 123.180 122.820 -0.004 0.000 1.917 116 A HA -0.126 4.194 4.320 0.001 0.000 0.219 116 A C 1.712 179.281 177.584 -0.025 0.000 1.182 116 A CA 1.444 53.474 52.037 -0.011 0.000 0.633 116 A CB -0.197 18.799 19.000 -0.007 0.000 0.819 116 A HN 0.640 nan 8.150 nan 0.000 0.448 117 N N -0.101 118.576 118.700 -0.038 0.000 2.610 117 N HA 0.272 5.012 4.740 0.001 0.000 0.309 117 N C 0.204 175.654 175.510 -0.101 0.000 1.536 117 N CA 0.177 53.185 53.050 -0.069 0.000 0.954 117 N CB 0.608 39.048 38.487 -0.078 0.000 1.310 117 N HN 0.418 nan 8.380 nan 0.000 0.502 118 G N 0.033 108.791 108.800 -0.071 0.000 2.557 118 G HA2 0.306 4.266 3.960 0.001 0.000 0.292 118 G HA3 0.306 4.266 3.960 0.001 0.000 0.292 118 G C 1.262 176.105 174.900 -0.095 0.000 1.237 118 G CA -0.516 44.535 45.100 -0.082 0.000 0.978 118 G HN 0.140 nan 8.290 nan 0.000 0.498 119 I N -0.361 120.134 120.570 -0.124 0.000 2.163 119 I HA -0.193 3.977 4.170 0.001 0.000 0.243 119 I C 2.513 178.613 176.117 -0.029 0.000 1.085 119 I CA 1.129 62.361 61.300 -0.113 0.000 1.347 119 I CB -0.210 37.683 38.000 -0.178 0.000 1.044 119 I HN 0.313 nan 8.210 nan 0.000 0.408 120 L N 0.910 122.148 121.223 0.025 0.000 2.450 120 L HA -0.202 4.139 4.340 0.001 0.000 0.224 120 L C 2.956 179.831 176.870 0.008 0.000 1.149 120 L CA 1.191 56.055 54.840 0.039 0.000 0.816 120 L CB -1.066 41.027 42.059 0.057 0.000 0.932 120 L HN 0.274 nan 8.230 nan 0.000 0.449 121 K N 0.734 121.128 120.400 -0.010 0.000 2.217 121 K HA -0.070 4.250 4.320 0.001 0.000 0.202 121 K C 1.879 178.467 176.600 -0.020 0.000 1.051 121 K CA 1.219 57.496 56.287 -0.018 0.000 0.952 121 K CB -0.159 32.324 32.500 -0.029 0.000 0.736 121 K HN 0.355 nan 8.250 nan 0.000 0.453 122 K N -0.360 120.025 120.400 -0.025 0.000 2.562 122 K HA 0.190 4.510 4.320 0.001 0.000 0.201 122 K C -0.417 176.173 176.600 -0.017 0.000 1.131 122 K CA -0.158 56.115 56.287 -0.023 0.000 1.059 122 K CB 1.135 33.615 32.500 -0.034 0.000 0.913 122 K HN 0.164 nan 8.250 nan 0.000 0.563 123 V N 2.509 122.419 119.914 -0.008 0.000 2.763 123 V HA 0.176 4.297 4.120 0.001 0.000 0.306 123 V C 0.010 176.108 176.094 0.006 0.000 1.059 123 V CA 0.583 62.885 62.300 0.003 0.000 1.138 123 V CB 0.524 32.363 31.823 0.027 0.000 0.940 123 V HN 0.334 nan 8.190 nan 0.000 0.489 124 K N 4.380 124.783 120.400 0.005 0.000 2.095 124 K HA 0.774 5.095 4.320 0.001 0.000 0.252 124 K C 0.368 176.973 176.600 0.009 0.000 0.977 124 K CA -0.157 56.133 56.287 0.005 0.000 0.900 124 K CB 0.457 32.958 32.500 0.002 0.000 1.060 124 K HN 1.473 nan 8.250 nan 0.000 0.449 125 K N -0.067 120.338 120.400 0.008 0.000 2.569 125 K HA 0.391 4.712 4.320 0.001 0.000 0.280 125 K C 1.526 178.131 176.600 0.009 0.000 0.984 125 K CA 0.855 57.148 56.287 0.009 0.000 1.064 125 K CB -1.119 31.384 32.500 0.006 0.000 0.866 125 K HN 2.443 nan 8.250 nan 0.000 0.492 126 G N 1.093 109.900 108.800 0.012 0.000 2.166 126 G HA2 -0.229 3.732 3.960 0.001 0.000 0.260 126 G HA3 -0.229 3.732 3.960 0.001 0.000 0.260 126 G C 0.537 175.442 174.900 0.008 0.000 0.986 126 G CA 0.618 45.724 45.100 0.010 0.000 0.683 126 G HN 1.267 nan 8.290 nan 0.000 0.527 127 S N -0.538 115.170 115.700 0.014 0.000 2.579 127 S HA 0.489 4.960 4.470 0.001 0.000 0.275 127 S C 0.143 174.749 174.600 0.010 0.000 1.345 127 S CA -0.107 58.099 58.200 0.010 0.000 1.031 127 S CB 1.667 64.877 63.200 0.018 0.000 0.892 127 S HN 0.928 nan 8.310 nan 0.000 0.529 128 L N 3.928 125.143 121.223 -0.012 0.000 2.276 128 L HA 0.532 4.873 4.340 0.001 0.000 0.286 128 L C -1.308 175.541 176.870 -0.036 0.000 1.024 128 L CA -0.183 54.639 54.840 -0.030 0.000 0.826 128 L CB 0.046 42.066 42.059 -0.065 0.000 1.211 128 L HN 0.534 nan 8.230 nan 0.000 0.422 129 L N 6.581 127.800 121.223 -0.006 0.000 2.296 129 L HA 0.571 4.912 4.340 0.001 0.000 0.286 129 L C -0.517 176.240 176.870 -0.188 0.000 1.023 129 L CA -0.375 54.475 54.840 0.017 0.000 0.812 129 L CB 1.565 43.788 42.059 0.273 0.000 1.223 129 L HN 0.518 nan 8.230 nan 0.000 0.421 130 I N 2.203 122.652 120.570 -0.201 0.000 2.418 130 I HA 0.223 4.394 4.170 0.001 0.000 0.287 130 I C -0.873 175.108 176.117 -0.226 0.000 1.008 130 I CA -0.356 60.751 61.300 -0.323 0.000 1.104 130 I CB 2.172 40.014 38.000 -0.262 0.000 1.264 130 I HN 0.549 nan 8.210 nan 0.000 0.438 131 D N 3.786 124.006 120.400 -0.301 0.000 2.412 131 D HA 0.275 4.915 4.640 0.001 0.000 0.224 131 D C 0.246 176.524 176.300 -0.037 0.000 1.093 131 D CA -0.194 53.778 54.000 -0.046 0.000 0.850 131 D CB 1.199 42.070 40.800 0.118 0.000 1.046 131 D HN 0.358 nan 8.370 nan 0.000 0.507 132 S N 1.314 117.017 115.700 0.005 0.000 2.577 132 S HA 0.100 4.571 4.470 0.001 0.000 0.219 132 S C 0.493 175.126 174.600 0.055 0.000 0.962 132 S CA -0.525 57.717 58.200 0.069 0.000 0.921 132 S CB 0.194 63.495 63.200 0.168 0.000 0.789 132 S HN 0.435 nan 8.310 nan 0.000 0.497 133 S N 2.255 117.988 115.700 0.055 0.000 2.580 133 S HA 0.148 4.619 4.470 0.001 0.000 0.266 133 S C 0.440 175.060 174.600 0.034 0.000 1.354 133 S CA 0.008 58.241 58.200 0.055 0.000 1.008 133 S CB 0.445 63.691 63.200 0.078 0.000 0.898 133 S HN 0.262 nan 8.310 nan 0.000 0.555 134 T N 2.883 117.451 114.554 0.022 0.000 2.781 134 T HA 0.557 4.908 4.350 0.001 0.000 0.305 134 T C 0.159 174.864 174.700 0.008 0.000 1.001 134 T CA -0.374 61.726 62.100 0.000 0.000 0.950 134 T CB -0.657 68.199 68.868 -0.021 0.000 0.955 134 T HN 0.546 nan 8.240 nan 0.000 0.471 135 I N -0.782 119.792 120.570 0.006 0.000 3.343 135 I HA 0.641 4.811 4.170 0.001 0.000 0.315 135 I C -0.691 175.419 176.117 -0.012 0.000 1.153 135 I CA -1.353 59.949 61.300 0.004 0.000 0.952 135 I CB 1.676 39.689 38.000 0.021 0.000 1.287 135 I HN 0.199 nan 8.210 nan 0.000 0.472 136 D N 2.530 122.919 120.400 -0.018 0.000 2.493 136 D HA 0.117 4.758 4.640 0.001 0.000 0.240 136 D C -1.826 174.457 176.300 -0.027 0.000 1.142 136 D CA -1.142 52.841 54.000 -0.029 0.000 0.872 136 D CB 1.729 42.511 40.800 -0.030 0.000 1.173 136 D HN 0.307 nan 8.370 nan 0.000 0.467 137 P HA -0.148 nan 4.420 nan 0.000 0.215 137 P C 1.033 178.312 177.300 -0.036 0.000 1.157 137 P CA 1.858 64.941 63.100 -0.028 0.000 0.868 137 P CB 0.060 31.739 31.700 -0.035 0.000 0.788 138 A N -0.611 122.185 122.820 -0.041 0.000 1.958 138 A HA -0.214 4.107 4.320 0.001 0.000 0.221 138 A C 2.318 179.863 177.584 -0.065 0.000 1.178 138 A CA 2.216 54.224 52.037 -0.048 0.000 0.642 138 A CB -1.825 17.150 19.000 -0.042 0.000 0.816 138 A HN 0.082 nan 8.150 nan 0.000 0.453 139 V N -0.566 119.310 119.914 -0.064 0.000 2.453 139 V HA -0.172 3.949 4.120 0.001 0.000 0.247 139 V C 2.709 178.717 176.094 -0.143 0.000 1.048 139 V CA 2.042 64.288 62.300 -0.091 0.000 1.049 139 V CB -0.716 31.069 31.823 -0.065 0.000 0.672 139 V HN 0.555 nan 8.190 nan 0.000 0.457 140 S N 0.043 115.687 115.700 -0.093 0.000 2.359 140 S HA -0.222 4.248 4.470 0.001 0.000 0.224 140 S C 2.278 176.761 174.600 -0.196 0.000 1.035 140 S CA 1.842 59.988 58.200 -0.089 0.000 1.018 140 S CB -0.251 63.000 63.200 0.085 0.000 0.876 140 S HN 0.612 nan 8.310 nan 0.000 0.448 141 K N 1.258 121.589 120.400 -0.114 0.000 2.063 141 K HA -0.078 4.243 4.320 0.001 0.000 0.208 141 K C 2.043 178.537 176.600 -0.176 0.000 1.048 141 K CA 1.312 57.531 56.287 -0.113 0.000 0.928 141 K CB -0.773 31.687 32.500 -0.067 0.000 0.713 141 K HN 0.612 nan 8.250 nan 0.000 0.442 142 E N 0.450 120.545 120.200 -0.176 0.000 2.058 142 E HA -0.122 4.229 4.350 0.001 0.000 0.194 142 E C 2.173 178.612 176.600 -0.269 0.000 0.997 142 E CA 1.530 57.823 56.400 -0.178 0.000 0.801 142 E CB -0.316 29.302 29.700 -0.138 0.000 0.746 142 E HN 0.277 nan 8.360 nan 0.000 0.450 143 L N 0.453 121.420 121.223 -0.427 0.000 2.083 143 L HA -0.172 4.168 4.340 0.001 0.000 0.209 143 L C 2.613 179.036 176.870 -0.746 0.000 1.083 143 L CA 0.854 55.300 54.840 -0.657 0.000 0.752 143 L CB -0.535 40.903 42.059 -1.035 0.000 0.899 143 L HN 0.159 nan 8.230 nan 0.000 0.433 144 A N 0.156 122.524 122.820 -0.754 0.000 1.883 144 A HA -0.236 4.084 4.320 0.001 0.000 0.217 144 A C 2.536 180.014 177.584 -0.177 0.000 1.186 144 A CA 2.148 53.955 52.037 -0.384 0.000 0.624 144 A CB -0.501 18.423 19.000 -0.126 0.000 0.822 144 A HN 0.240 nan 8.150 nan 0.000 0.444 145 K N -1.113 119.190 120.400 -0.163 0.000 2.057 145 K HA -0.043 4.277 4.320 0.001 0.000 0.207 145 K C 2.594 179.138 176.600 -0.093 0.000 1.049 145 K CA 1.825 58.053 56.287 -0.098 0.000 0.931 145 K CB -1.059 31.391 32.500 -0.083 0.000 0.714 145 K HN 0.888 nan 8.250 nan 0.000 0.440 146 E N 0.136 120.257 120.200 -0.132 0.000 2.106 146 E HA -0.090 4.261 4.350 0.001 0.000 0.192 146 E C 2.110 178.672 176.600 -0.065 0.000 0.984 146 E CA 1.552 57.895 56.400 -0.096 0.000 0.806 146 E CB -0.817 28.815 29.700 -0.113 0.000 0.750 146 E HN 0.277 nan 8.360 nan 0.000 0.458 147 V N 1.067 120.930 119.914 -0.086 0.000 2.323 147 V HA -0.090 4.031 4.120 0.001 0.000 0.244 147 V C 3.014 179.120 176.094 0.020 0.000 1.041 147 V CA 2.323 64.623 62.300 0.000 0.000 1.025 147 V CB -0.494 31.362 31.823 0.055 0.000 0.656 147 V HN 0.764 nan 8.190 nan 0.000 0.451 148 E N 0.471 120.675 120.200 0.006 0.000 2.153 148 E HA -0.284 4.067 4.350 0.001 0.000 0.194 148 E C 2.254 178.857 176.600 0.004 0.000 0.988 148 E CA 2.016 58.424 56.400 0.014 0.000 0.811 148 E CB -0.866 28.840 29.700 0.009 0.000 0.746 148 E HN 0.726 nan 8.360 nan 0.000 0.466 149 K N 0.117 120.512 120.400 -0.009 0.000 2.147 149 K HA 0.101 4.421 4.320 0.001 0.000 0.205 149 K C 2.068 178.667 176.600 -0.001 0.000 1.049 149 K CA 1.677 57.959 56.287 -0.008 0.000 0.936 149 K CB -0.395 32.094 32.500 -0.018 0.000 0.722 149 K HN 0.416 nan 8.250 nan 0.000 0.446 150 M N -0.446 119.157 119.600 0.005 0.000 2.561 150 M HA 0.176 4.657 4.480 0.001 0.000 0.238 150 M C 1.275 177.584 176.300 0.016 0.000 1.131 150 M CA 0.789 56.096 55.300 0.011 0.000 1.046 150 M CB -0.289 32.322 32.600 0.019 0.000 1.532 150 M HN 0.629 nan 8.290 nan 0.000 0.497 151 G N 1.313 110.123 108.800 0.017 0.000 2.182 151 G HA2 -0.137 3.824 3.960 0.001 0.000 0.248 151 G HA3 -0.137 3.824 3.960 0.001 0.000 0.248 151 G C 0.120 175.035 174.900 0.025 0.000 1.042 151 G CA 0.328 45.438 45.100 0.018 0.000 0.775 151 G HN 0.730 nan 8.290 nan 0.000 0.501 152 A N -1.424 121.419 122.820 0.038 0.000 2.347 152 A HA 0.976 5.296 4.320 0.001 0.000 0.301 152 A C -0.081 177.543 177.584 0.067 0.000 1.163 152 A CA -0.178 51.889 52.037 0.051 0.000 0.860 152 A CB 1.868 20.910 19.000 0.069 0.000 1.367 152 A HN 1.308 nan 8.150 nan 0.000 0.461 153 V N -0.002 119.955 119.914 0.072 0.000 2.513 153 V HA 0.591 4.712 4.120 0.001 0.000 0.299 153 V C -0.809 175.367 176.094 0.136 0.000 1.035 153 V CA -0.326 62.025 62.300 0.086 0.000 0.889 153 V CB 1.157 33.005 31.823 0.042 0.000 0.988 153 V HN 0.756 nan 8.190 nan 0.000 0.440 154 F N 4.735 124.681 119.950 -0.006 0.000 2.546 154 F HA 0.853 5.380 4.527 0.001 0.000 0.320 154 F C -0.433 175.358 175.800 -0.015 0.000 1.076 154 F CA -0.807 57.181 58.000 -0.020 0.000 0.928 154 F CB 1.946 40.910 39.000 -0.060 0.000 1.189 154 F HN 0.401 nan 8.300 nan 0.000 0.465 155 M N 5.913 125.016 119.600 -0.828 0.000 2.238 155 M HA 0.193 4.674 4.480 0.001 0.000 0.278 155 M C -1.689 174.234 176.300 -0.627 0.000 1.040 155 M CA -0.884 54.137 55.300 -0.464 0.000 0.969 155 M CB 2.047 34.530 32.600 -0.196 0.000 1.694 155 M HN 0.587 nan 8.290 nan 0.000 0.472 156 D N 2.489 122.719 120.400 -0.283 0.000 2.351 156 D HA 0.409 5.050 4.640 0.001 0.000 0.251 156 D C -0.389 175.867 176.300 -0.073 0.000 1.137 156 D CA -0.336 53.579 54.000 -0.140 0.000 0.879 156 D CB 1.691 42.514 40.800 0.039 0.000 1.181 156 D HN 0.670 nan 8.370 nan 0.000 0.448 157 A N 3.464 126.265 122.820 -0.031 0.000 3.415 157 A HA 0.347 4.668 4.320 0.001 0.000 0.244 157 A C -2.617 175.068 177.584 0.167 0.000 0.988 157 A CA -1.026 51.063 52.037 0.087 0.000 0.991 157 A CB 0.517 19.548 19.000 0.052 0.000 1.240 157 A HN 0.454 nan 8.150 nan 0.000 0.541 158 P HA 0.292 nan 4.420 nan 0.000 0.271 158 P C 0.127 177.388 177.300 -0.065 0.000 1.244 158 P CA 0.298 63.402 63.100 0.006 0.000 0.793 158 P CB 1.109 32.788 31.700 -0.035 0.000 0.984 159 V N -2.600 117.207 119.914 -0.178 0.000 2.680 159 V HA 0.692 4.812 4.120 0.001 0.000 0.309 159 V C -0.340 175.569 176.094 -0.308 0.000 1.052 159 V CA -0.792 61.294 62.300 -0.357 0.000 0.908 159 V CB 1.665 33.201 31.823 -0.478 0.000 1.001 159 V HN 0.573 nan 8.190 nan 0.000 0.431 160 S N 2.613 118.122 115.700 -0.319 0.000 2.549 160 S HA 0.922 5.393 4.470 0.001 0.000 0.297 160 S C 0.091 174.530 174.600 -0.268 0.000 1.115 160 S CA 0.584 58.602 58.200 -0.304 0.000 1.059 160 S CB 0.810 63.846 63.200 -0.274 0.000 1.046 160 S HN 2.808 nan 8.310 nan 0.000 0.506 161 G N 1.702 110.350 108.800 -0.254 0.000 2.650 161 G HA2 0.280 4.240 3.960 0.001 0.000 0.686 161 G HA3 0.280 4.240 3.960 0.001 0.000 0.686 161 G C -0.032 174.796 174.900 -0.119 0.000 1.205 161 G CA -0.404 44.609 45.100 -0.146 0.000 0.781 161 G HN 1.108 nan 8.290 nan 0.000 0.648 162 G N -1.256 107.536 108.800 -0.013 0.000 2.641 162 G HA2 0.657 4.617 3.960 0.001 0.000 0.239 162 G HA3 0.657 4.617 3.960 0.001 0.000 0.239 162 G C 1.455 176.398 174.900 0.072 0.000 1.402 162 G CA 0.594 45.726 45.100 0.054 0.000 1.046 162 G HN 1.478 nan 8.290 nan 0.000 0.565 163 V N 1.047 121.028 119.914 0.111 0.000 2.392 163 V HA -0.118 4.002 4.120 0.001 0.000 0.249 163 V C 3.036 179.179 176.094 0.082 0.000 1.059 163 V CA 2.476 64.833 62.300 0.095 0.000 1.051 163 V CB -1.135 30.751 31.823 0.104 0.000 0.658 163 V HN 0.779 nan 8.190 nan 0.000 0.455 164 G N -0.275 108.580 108.800 0.091 0.000 2.453 164 G HA2 -0.200 3.761 3.960 0.001 0.000 0.215 164 G HA3 -0.200 3.761 3.960 0.001 0.000 0.215 164 G C 1.797 176.737 174.900 0.067 0.000 1.201 164 G CA 1.024 46.172 45.100 0.080 0.000 0.784 164 G HN 0.611 nan 8.290 nan 0.000 0.545 165 A N 1.197 124.054 122.820 0.063 0.000 1.940 165 A HA 0.173 4.493 4.320 0.001 0.000 0.219 165 A C 2.820 180.428 177.584 0.039 0.000 1.176 165 A CA 2.410 54.472 52.037 0.043 0.000 0.631 165 A CB -0.849 18.159 19.000 0.014 0.000 0.814 165 A HN 0.894 nan 8.150 nan 0.000 0.446 166 A N -0.146 122.697 122.820 0.038 0.000 1.892 166 A HA -0.239 4.081 4.320 0.001 0.000 0.218 166 A C 2.260 179.888 177.584 0.073 0.000 1.188 166 A CA 1.968 54.037 52.037 0.054 0.000 0.631 166 A CB -0.476 18.561 19.000 0.061 0.000 0.822 166 A HN 0.568 nan 8.150 nan 0.000 0.447 167 R N -0.055 120.484 120.500 0.065 0.000 2.061 167 R HA -0.094 4.246 4.340 0.001 0.000 0.230 167 R C 2.726 179.063 176.300 0.062 0.000 1.140 167 R CA 1.806 57.942 56.100 0.060 0.000 0.940 167 R CB -0.458 29.871 30.300 0.049 0.000 0.839 167 R HN 0.707 nan 8.270 nan 0.000 0.429 168 S N -0.780 114.956 115.700 0.059 0.000 2.423 168 S HA 0.001 4.472 4.470 0.001 0.000 0.231 168 S C 1.460 176.106 174.600 0.077 0.000 1.014 168 S CA 0.823 59.059 58.200 0.059 0.000 0.965 168 S CB 0.062 63.295 63.200 0.054 0.000 0.785 168 S HN 0.579 nan 8.310 nan 0.000 0.495 169 G N 1.316 110.169 108.800 0.089 0.000 2.140 169 G HA2 -0.178 3.783 3.960 0.001 0.000 0.211 169 G HA3 -0.178 3.783 3.960 0.001 0.000 0.211 169 G C 0.064 175.029 174.900 0.109 0.000 1.013 169 G CA 0.049 45.221 45.100 0.120 0.000 0.705 169 G HN 0.507 nan 8.290 nan 0.000 0.508 170 N N 0.264 119.008 118.700 0.074 0.000 2.273 170 N HA 0.246 4.987 4.740 0.001 0.000 0.231 170 N C 1.079 176.599 175.510 0.017 0.000 1.134 170 N CA -0.083 53.002 53.050 0.058 0.000 0.856 170 N CB 0.243 38.763 38.487 0.054 0.000 1.068 170 N HN 0.537 nan 8.380 nan 0.000 0.510 171 L N 0.608 121.819 121.223 -0.020 0.000 2.483 171 L HA 0.083 4.423 4.340 0.001 0.000 0.275 171 L C 0.615 177.389 176.870 -0.160 0.000 1.220 171 L CA 0.456 55.199 54.840 -0.162 0.000 0.833 171 L CB 0.178 42.020 42.059 -0.361 0.000 1.102 171 L HN -0.034 nan 8.230 nan 0.000 0.490 172 T N 1.925 116.345 114.554 -0.225 0.000 2.795 172 T HA 0.479 4.830 4.350 0.001 0.000 0.282 172 T C -0.544 173.997 174.700 -0.266 0.000 0.980 172 T CA -0.227 61.790 62.100 -0.137 0.000 1.012 172 T CB 0.484 69.298 68.868 -0.091 0.000 0.936 172 T HN 0.111 nan 8.240 nan 0.000 0.457 173 F N 2.617 122.565 119.950 -0.003 0.000 2.427 173 F HA 0.519 5.047 4.527 0.001 0.000 0.346 173 F C 0.444 176.249 175.800 0.008 0.000 1.120 173 F CA -0.974 57.024 58.000 -0.004 0.000 1.033 173 F CB 1.321 40.325 39.000 0.006 0.000 1.126 173 F HN 0.266 nan 8.300 nan 0.000 0.462 174 M N 4.603 124.287 119.600 0.140 0.000 2.088 174 M HA 0.467 4.947 4.480 0.001 0.000 0.346 174 M C -1.229 175.118 176.300 0.079 0.000 1.111 174 M CA -0.544 54.797 55.300 0.067 0.000 1.017 174 M CB 1.303 33.891 32.600 -0.021 0.000 1.568 174 M HN 0.194 nan 8.290 nan 0.000 0.445 175 V N 2.396 122.362 119.914 0.087 0.000 2.448 175 V HA 0.889 5.009 4.120 0.001 0.000 0.295 175 V C 0.284 176.359 176.094 -0.031 0.000 1.025 175 V CA -0.761 61.602 62.300 0.105 0.000 0.859 175 V CB 1.531 33.543 31.823 0.314 0.000 0.988 175 V HN 0.948 nan 8.190 nan 0.000 0.431 176 G N 1.589 110.365 108.800 -0.039 0.000 2.524 176 G HA2 0.882 4.843 3.960 0.001 0.000 0.310 176 G HA3 0.882 4.843 3.960 0.001 0.000 0.310 176 G C -0.253 174.660 174.900 0.023 0.000 1.279 176 G CA -0.211 44.827 45.100 -0.103 0.000 0.974 176 G HN 1.384 nan 8.290 nan 0.000 0.484 177 G N -1.338 107.504 108.800 0.070 0.000 2.369 177 G HA2 0.385 4.346 3.960 0.001 0.000 0.295 177 G HA3 0.385 4.346 3.960 0.001 0.000 0.295 177 G C -0.970 174.059 174.900 0.215 0.000 1.298 177 G CA -0.301 44.882 45.100 0.138 0.000 0.940 177 G HN 1.232 nan 8.290 nan 0.000 0.536 178 V N 1.546 121.554 119.914 0.157 0.000 2.493 178 V HA 0.152 4.273 4.120 0.001 0.000 0.292 178 V C 1.961 178.139 176.094 0.140 0.000 1.016 178 V CA 1.469 63.848 62.300 0.132 0.000 1.097 178 V CB 1.058 32.928 31.823 0.079 0.000 0.947 178 V HN 0.996 nan 8.190 nan 0.000 0.479 179 E N 2.646 122.898 120.200 0.086 0.000 2.204 179 E HA -0.243 4.108 4.350 0.001 0.000 0.195 179 E C 1.030 177.570 176.600 -0.100 0.000 0.990 179 E CA 1.639 57.935 56.400 -0.172 0.000 0.821 179 E CB 0.030 29.452 29.700 -0.462 0.000 0.750 179 E HN 0.805 nan 8.360 nan 0.000 0.477 180 D N 0.884 121.266 120.400 -0.030 0.000 2.149 180 D HA -0.163 4.478 4.640 0.001 0.000 0.198 180 D C 2.119 178.428 176.300 0.015 0.000 0.990 180 D CA 2.099 56.092 54.000 -0.012 0.000 0.839 180 D CB -0.259 40.537 40.800 -0.006 0.000 0.948 180 D HN 0.557 nan 8.370 nan 0.000 0.460 181 E N -0.078 120.144 120.200 0.037 0.000 2.482 181 E HA -0.049 4.301 4.350 0.001 0.000 0.196 181 E C 1.562 178.186 176.600 0.040 0.000 1.047 181 E CA 0.167 56.584 56.400 0.028 0.000 0.869 181 E CB -1.220 28.499 29.700 0.032 0.000 0.836 181 E HN 0.430 nan 8.360 nan 0.000 0.520 182 F N 1.436 121.345 119.950 -0.068 0.000 2.171 182 F HA 0.052 4.579 4.527 0.001 0.000 0.300 182 F C 2.593 178.351 175.800 -0.071 0.000 1.090 182 F CA 1.401 59.365 58.000 -0.060 0.000 1.293 182 F CB -0.398 38.526 39.000 -0.127 0.000 1.013 182 F HN 0.282 nan 8.300 nan 0.000 0.486 183 A N 0.895 123.650 122.820 -0.108 0.000 1.859 183 A HA -0.197 4.123 4.320 0.001 0.000 0.217 183 A C 2.504 179.938 177.584 -0.251 0.000 1.198 183 A CA 2.468 54.392 52.037 -0.189 0.000 0.629 183 A CB -1.739 17.225 19.000 -0.059 0.000 0.830 183 A HN 0.559 nan 8.150 nan 0.000 0.446 184 A N -0.350 122.369 122.820 -0.168 0.000 1.892 184 A HA 0.049 4.370 4.320 0.001 0.000 0.218 184 A C 2.546 179.998 177.584 -0.219 0.000 1.188 184 A CA 2.706 54.650 52.037 -0.154 0.000 0.631 184 A CB -1.181 17.757 19.000 -0.103 0.000 0.822 184 A HN 1.268 nan 8.150 nan 0.000 0.447 185 A N -1.291 121.369 122.820 -0.267 0.000 1.972 185 A HA -0.201 4.120 4.320 0.001 0.000 0.219 185 A C 2.177 179.514 177.584 -0.410 0.000 1.169 185 A CA 1.749 53.600 52.037 -0.311 0.000 0.635 185 A CB -0.531 18.311 19.000 -0.263 0.000 0.810 185 A HN 0.680 nan 8.150 nan 0.000 0.446 186 Q N -0.918 118.552 119.800 -0.550 0.000 2.084 186 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 186 Q C 2.255 178.063 176.000 -0.320 0.000 0.978 186 Q CA 2.121 57.610 55.803 -0.523 0.000 0.844 186 Q CB -0.312 28.018 28.738 -0.679 0.000 0.898 186 Q HN 0.761 nan 8.270 nan 0.000 0.426 187 E N 1.023 121.066 120.200 -0.262 0.000 2.097 187 E HA -0.222 4.129 4.350 0.001 0.000 0.196 187 E C 1.669 178.158 176.600 -0.185 0.000 1.000 187 E CA 1.505 57.801 56.400 -0.173 0.000 0.804 187 E CB -0.897 28.730 29.700 -0.122 0.000 0.740 187 E HN 0.490 nan 8.360 nan 0.000 0.454 188 L N -0.700 120.376 121.223 -0.245 0.000 2.068 188 L HA 0.051 4.392 4.340 0.001 0.000 0.204 188 L C 2.834 179.518 176.870 -0.310 0.000 1.076 188 L CA 0.871 55.537 54.840 -0.291 0.000 0.753 188 L CB -0.112 41.758 42.059 -0.314 0.000 0.910 188 L HN 0.350 nan 8.230 nan 0.000 0.439 189 L N -0.674 120.307 121.223 -0.404 0.000 2.201 189 L HA -0.107 4.234 4.340 0.001 0.000 0.212 189 L C 2.510 179.179 176.870 -0.335 0.000 1.105 189 L CA 1.025 55.502 54.840 -0.605 0.000 0.775 189 L CB -1.075 40.398 42.059 -0.976 0.000 0.913 189 L HN 0.348 nan 8.230 nan 0.000 0.440 190 G N -0.782 107.886 108.800 -0.220 0.000 2.479 190 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 190 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 190 G C 1.552 176.398 174.900 -0.090 0.000 1.115 190 G CA 0.796 45.835 45.100 -0.101 0.000 0.757 190 G HN 0.409 nan 8.290 nan 0.000 0.560 191 C N -0.022 119.179 119.300 -0.164 0.000 2.435 191 C HA 0.153 4.614 4.460 0.001 0.000 0.279 191 C C 2.807 177.882 174.990 0.141 0.000 1.321 191 C CA 0.861 59.782 59.018 -0.162 0.000 1.752 191 C CB -0.598 27.095 27.740 -0.078 0.000 1.959 191 C HN 0.477 nan 8.230 nan 0.000 0.500 192 M N -0.355 119.340 119.600 0.160 0.000 2.516 192 M HA 0.208 4.688 4.480 0.001 0.000 0.259 192 M C 0.926 177.432 176.300 0.345 0.000 1.146 192 M CA 0.550 56.020 55.300 0.283 0.000 1.122 192 M CB 0.190 33.019 32.600 0.382 0.000 1.341 192 M HN 0.449 nan 8.290 nan 0.000 0.478 193 G N -0.996 108.026 108.800 0.370 0.000 2.660 193 G HA2 0.418 4.379 3.960 0.001 0.000 0.294 193 G HA3 0.418 4.379 3.960 0.001 0.000 0.294 193 G C 0.079 175.104 174.900 0.208 0.000 1.369 193 G CA -0.420 44.883 45.100 0.338 0.000 0.912 193 G HN 0.137 nan 8.290 nan 0.000 0.479 194 S N -0.491 115.297 115.700 0.148 0.000 2.503 194 S HA 0.215 4.686 4.470 0.001 0.000 0.215 194 S C 0.493 175.156 174.600 0.105 0.000 1.003 194 S CA -0.035 58.230 58.200 0.108 0.000 0.910 194 S CB 0.180 63.429 63.200 0.083 0.000 0.790 194 S HN 0.333 nan 8.310 nan 0.000 0.514 195 N N 0.949 119.725 118.700 0.126 0.000 2.410 195 N HA 0.514 5.255 4.740 0.001 0.000 0.287 195 N C -2.014 173.613 175.510 0.194 0.000 1.044 195 N CA -0.250 52.875 53.050 0.125 0.000 0.881 195 N CB 2.321 40.855 38.487 0.078 0.000 1.405 195 N HN 0.030 nan 8.380 nan 0.000 0.490 196 V N 2.901 122.936 119.914 0.203 0.000 2.380 196 V HA 0.382 4.503 4.120 0.001 0.000 0.286 196 V C -0.342 175.964 176.094 0.354 0.000 1.015 196 V CA -0.645 61.815 62.300 0.267 0.000 0.834 196 V CB 1.798 33.705 31.823 0.141 0.000 1.009 196 V HN 0.289 nan 8.190 nan 0.000 0.428 197 V N 5.264 125.354 119.914 0.293 0.000 2.459 197 V HA 0.385 4.505 4.120 0.001 0.000 0.295 197 V C -0.655 175.522 176.094 0.139 0.000 1.029 197 V CA -0.894 61.521 62.300 0.193 0.000 0.874 197 V CB 1.901 33.773 31.823 0.082 0.000 0.985 197 V HN 0.749 nan 8.190 nan 0.000 0.438 198 Y N 3.686 123.832 120.300 -0.256 0.000 2.402 198 Y HA 0.202 4.752 4.550 0.001 0.000 0.333 198 Y C 0.927 176.704 175.900 -0.204 0.000 1.076 198 Y CA -0.127 57.721 58.100 -0.421 0.000 1.299 198 Y CB 1.090 38.980 38.460 -0.951 0.000 1.197 198 Y HN 0.716 nan 8.280 nan 0.000 0.517 199 C N 3.921 122.805 119.300 -0.695 0.000 3.019 199 C HA 0.635 5.096 4.460 0.001 0.000 0.295 199 C C 1.057 175.703 174.990 -0.574 0.000 1.256 199 C CA 0.620 59.352 59.018 -0.477 0.000 1.706 199 C CB -0.894 26.681 27.740 -0.275 0.000 2.153 199 C HN 1.217 nan 8.230 nan 0.000 0.618 200 G N 0.307 108.468 108.800 -1.066 0.000 2.250 200 G HA2 0.389 4.349 3.960 0.001 0.000 0.252 200 G HA3 0.389 4.349 3.960 0.001 0.000 0.252 200 G C -0.511 174.159 174.900 -0.384 0.000 1.325 200 G CA -0.114 44.635 45.100 -0.585 0.000 1.091 200 G HN 0.610 nan 8.290 nan 0.000 0.476 201 A N -0.758 121.984 122.820 -0.129 0.000 2.346 201 A HA 0.633 4.954 4.320 0.001 0.000 0.255 201 A C 1.021 178.581 177.584 -0.040 0.000 1.113 201 A CA 0.513 52.531 52.037 -0.031 0.000 0.798 201 A CB 0.147 19.144 19.000 -0.005 0.000 1.073 201 A HN 1.830 nan 8.150 nan 0.000 0.502 202 V N 0.825 120.751 119.914 0.019 0.000 2.557 202 V HA 0.376 4.497 4.120 0.001 0.000 0.301 202 V C 1.540 177.643 176.094 0.017 0.000 1.026 202 V CA 2.080 64.410 62.300 0.050 0.000 1.137 202 V CB -0.138 31.751 31.823 0.109 0.000 0.917 202 V HN 1.854 nan 8.190 nan 0.000 0.484 203 G N 3.947 112.754 108.800 0.012 0.000 2.352 203 G HA2 -0.281 3.679 3.960 0.001 0.000 0.204 203 G HA3 -0.281 3.679 3.960 0.001 0.000 0.204 203 G C 0.973 175.847 174.900 -0.043 0.000 1.004 203 G CA 0.648 45.741 45.100 -0.011 0.000 0.648 203 G HN 0.954 nan 8.290 nan 0.000 0.491 204 T N -0.439 114.071 114.554 -0.073 0.000 2.867 204 T HA 0.215 4.565 4.350 0.001 0.000 0.268 204 T C 2.429 177.067 174.700 -0.104 0.000 1.057 204 T CA 1.935 63.970 62.100 -0.107 0.000 1.136 204 T CB -0.545 68.221 68.868 -0.170 0.000 0.874 204 T HN 1.221 nan 8.240 nan 0.000 0.466 205 G N 1.122 109.869 108.800 -0.089 0.000 2.404 205 G HA2 -0.164 3.797 3.960 0.001 0.000 0.215 205 G HA3 -0.164 3.797 3.960 0.001 0.000 0.215 205 G C 1.749 176.615 174.900 -0.057 0.000 1.174 205 G CA 0.434 45.495 45.100 -0.066 0.000 0.780 205 G HN 0.399 nan 8.290 nan 0.000 0.537 206 Q N 0.685 120.459 119.800 -0.043 0.000 2.050 206 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 206 Q C 3.005 178.968 176.000 -0.062 0.000 0.980 206 Q CA 1.499 57.276 55.803 -0.044 0.000 0.840 206 Q CB -0.921 27.802 28.738 -0.025 0.000 0.898 206 Q HN 0.426 nan 8.270 nan 0.000 0.424 207 A N 1.269 124.052 122.820 -0.062 0.000 1.940 207 A HA -0.149 4.172 4.320 0.001 0.000 0.219 207 A C 2.341 179.877 177.584 -0.081 0.000 1.176 207 A CA 2.123 54.119 52.037 -0.069 0.000 0.631 207 A CB -0.672 18.289 19.000 -0.066 0.000 0.814 207 A HN 0.386 nan 8.150 nan 0.000 0.446 208 A N -0.011 122.757 122.820 -0.087 0.000 1.855 208 A HA -0.117 4.204 4.320 0.001 0.000 0.215 208 A C 2.077 179.595 177.584 -0.110 0.000 1.191 208 A CA 2.268 54.247 52.037 -0.095 0.000 0.613 208 A CB -0.477 18.466 19.000 -0.095 0.000 0.829 208 A HN 0.509 nan 8.150 nan 0.000 0.442 209 K N 0.230 120.563 120.400 -0.112 0.000 2.032 209 K HA -0.086 4.234 4.320 0.001 0.000 0.209 209 K C 1.639 178.151 176.600 -0.146 0.000 1.048 209 K CA 1.919 58.121 56.287 -0.141 0.000 0.927 209 K CB -0.563 31.858 32.500 -0.131 0.000 0.712 209 K HN 0.478 nan 8.250 nan 0.000 0.441 210 I N 0.236 120.735 120.570 -0.117 0.000 2.226 210 I HA -0.355 3.816 4.170 0.001 0.000 0.245 210 I C 2.209 178.256 176.117 -0.117 0.000 1.100 210 I CA 1.121 62.352 61.300 -0.114 0.000 1.374 210 I CB -0.266 37.678 38.000 -0.093 0.000 1.057 210 I HN 0.318 nan 8.210 nan 0.000 0.413 211 C N 0.258 119.495 119.300 -0.105 0.000 2.446 211 C HA -0.142 4.318 4.460 0.001 0.000 0.277 211 C C 2.636 177.558 174.990 -0.114 0.000 1.275 211 C CA 1.333 60.294 59.018 -0.096 0.000 1.727 211 C CB -1.516 26.175 27.740 -0.081 0.000 2.010 211 C HN 0.585 nan 8.230 nan 0.000 0.486 212 N N 1.528 120.143 118.700 -0.141 0.000 2.043 212 N HA -0.137 4.603 4.740 0.001 0.000 0.193 212 N C 1.335 176.717 175.510 -0.213 0.000 1.037 212 N CA 1.798 54.742 53.050 -0.178 0.000 0.851 212 N CB -0.297 38.060 38.487 -0.216 0.000 1.027 212 N HN 0.361 nan 8.380 nan 0.000 0.422 213 N N -0.159 118.400 118.700 -0.235 0.000 2.289 213 N HA -0.107 4.633 4.740 0.001 0.000 0.184 213 N C 1.535 176.922 175.510 -0.206 0.000 1.016 213 N CA 0.628 53.514 53.050 -0.274 0.000 0.872 213 N CB -0.219 38.099 38.487 -0.282 0.000 0.973 213 N HN 0.424 nan 8.380 nan 0.000 0.433 214 M N -0.366 119.146 119.600 -0.147 0.000 2.099 214 M HA -0.102 4.378 4.480 0.001 0.000 0.262 214 M C 1.744 178.006 176.300 -0.063 0.000 1.067 214 M CA 1.225 56.467 55.300 -0.096 0.000 1.124 214 M CB -0.046 32.510 32.600 -0.074 0.000 1.353 214 M HN 0.147 nan 8.290 nan 0.000 0.410 215 L N 0.807 121.987 121.223 -0.071 0.000 2.083 215 L HA -0.161 4.180 4.340 0.001 0.000 0.209 215 L C 2.071 178.924 176.870 -0.027 0.000 1.083 215 L CA 1.535 56.351 54.840 -0.039 0.000 0.752 215 L CB -1.037 40.993 42.059 -0.049 0.000 0.899 215 L HN 0.405 nan 8.230 nan 0.000 0.433 216 L N 0.143 121.310 121.223 -0.094 0.000 1.970 216 L HA -0.108 4.233 4.340 0.001 0.000 0.212 216 L C 2.536 179.421 176.870 0.026 0.000 1.071 216 L CA 2.333 57.126 54.840 -0.078 0.000 0.751 216 L CB -1.402 40.489 42.059 -0.280 0.000 0.889 216 L HN 0.255 nan 8.230 nan 0.000 0.432 217 A N -0.156 122.636 122.820 -0.047 0.000 1.883 217 A HA -0.227 4.093 4.320 0.001 0.000 0.217 217 A C 2.304 180.006 177.584 0.198 0.000 1.186 217 A CA 2.346 54.419 52.037 0.061 0.000 0.624 217 A CB -1.057 17.906 19.000 -0.062 0.000 0.822 217 A HN 0.571 nan 8.150 nan 0.000 0.444 218 I N -0.269 120.374 120.570 0.122 0.000 2.163 218 I HA -0.253 3.918 4.170 0.001 0.000 0.243 218 I C 2.630 178.836 176.117 0.149 0.000 1.085 218 I CA 1.659 63.036 61.300 0.128 0.000 1.347 218 I CB -0.260 37.788 38.000 0.079 0.000 1.044 218 I HN 0.230 nan 8.210 nan 0.000 0.408 219 S N 0.082 115.870 115.700 0.148 0.000 2.406 219 S HA -0.145 4.325 4.470 0.001 0.000 0.228 219 S C 1.855 176.591 174.600 0.226 0.000 1.020 219 S CA 1.156 59.456 58.200 0.167 0.000 0.965 219 S CB -0.171 63.126 63.200 0.161 0.000 0.798 219 S HN 0.321 nan 8.310 nan 0.000 0.488 220 M N 1.704 121.488 119.600 0.306 0.000 2.156 220 M HA 0.147 4.627 4.480 0.001 0.000 0.264 220 M C 1.599 178.082 176.300 0.304 0.000 1.067 220 M CA 1.441 56.968 55.300 0.379 0.000 1.131 220 M CB -0.505 32.471 32.600 0.627 0.000 1.368 220 M HN 0.228 nan 8.290 nan 0.000 0.416 221 I N -0.572 120.171 120.570 0.288 0.000 2.315 221 I HA -0.157 4.013 4.170 0.001 0.000 0.248 221 I C 2.351 178.564 176.117 0.160 0.000 1.117 221 I CA 1.206 62.629 61.300 0.204 0.000 1.404 221 I CB -1.249 36.858 38.000 0.180 0.000 1.071 221 I HN 0.468 nan 8.210 nan 0.000 0.419 222 G N 0.447 109.340 108.800 0.154 0.000 2.440 222 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 222 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 222 G C 1.671 176.645 174.900 0.125 0.000 1.154 222 G CA 1.509 46.682 45.100 0.123 0.000 0.767 222 G HN 0.276 nan 8.290 nan 0.000 0.552 223 T N 1.504 116.145 114.554 0.146 0.000 2.777 223 T HA 0.078 4.429 4.350 0.001 0.000 0.266 223 T C 2.840 177.627 174.700 0.145 0.000 1.040 223 T CA 1.440 63.616 62.100 0.127 0.000 1.141 223 T CB -0.392 68.551 68.868 0.126 0.000 0.868 223 T HN 0.379 nan 8.240 nan 0.000 0.444 224 A N 1.738 124.675 122.820 0.196 0.000 1.873 224 A HA -0.204 4.117 4.320 0.001 0.000 0.218 224 A C 2.200 179.952 177.584 0.280 0.000 1.193 224 A CA 1.931 54.154 52.037 0.311 0.000 0.629 224 A CB -0.689 18.490 19.000 0.298 0.000 0.826 224 A HN 0.569 nan 8.150 nan 0.000 0.447 225 E N -0.552 119.745 120.200 0.162 0.000 2.051 225 E HA -0.130 4.220 4.350 0.001 0.000 0.192 225 E C 2.362 179.024 176.600 0.104 0.000 0.991 225 E CA 1.000 57.462 56.400 0.103 0.000 0.799 225 E CB -0.300 29.442 29.700 0.069 0.000 0.748 225 E HN 0.623 nan 8.360 nan 0.000 0.449 226 A N 1.099 123.980 122.820 0.102 0.000 1.902 226 A HA -0.192 4.129 4.320 0.001 0.000 0.217 226 A C 2.157 179.797 177.584 0.093 0.000 1.181 226 A CA 1.312 53.398 52.037 0.081 0.000 0.623 226 A CB -0.308 18.734 19.000 0.069 0.000 0.818 226 A HN 0.128 nan 8.150 nan 0.000 0.443 227 M N -0.428 119.246 119.600 0.123 0.000 2.099 227 M HA -0.121 4.360 4.480 0.001 0.000 0.262 227 M C 2.020 178.453 176.300 0.221 0.000 1.067 227 M CA 1.742 57.119 55.300 0.129 0.000 1.124 227 M CB -1.603 31.033 32.600 0.059 0.000 1.353 227 M HN 0.566 nan 8.290 nan 0.000 0.410 228 N N 1.149 120.040 118.700 0.317 0.000 2.104 228 N HA -0.162 4.579 4.740 0.001 0.000 0.190 228 N C 1.568 177.139 175.510 0.102 0.000 1.024 228 N CA 1.130 54.313 53.050 0.222 0.000 0.853 228 N CB -0.297 38.229 38.487 0.065 0.000 1.008 228 N HN 0.176 nan 8.380 nan 0.000 0.424 229 L N 0.251 121.521 121.223 0.077 0.000 2.046 229 L HA 0.082 4.422 4.340 0.001 0.000 0.208 229 L C 2.082 178.979 176.870 0.045 0.000 1.077 229 L CA 2.200 57.066 54.840 0.045 0.000 0.747 229 L CB -1.302 40.779 42.059 0.037 0.000 0.896 229 L HN 0.246 nan 8.230 nan 0.000 0.432 230 G N -0.340 108.493 108.800 0.056 0.000 2.421 230 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 230 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 230 G C 1.670 176.599 174.900 0.048 0.000 1.171 230 G CA 1.093 46.220 45.100 0.045 0.000 0.775 230 G HN 0.467 nan 8.290 nan 0.000 0.543 231 I N 0.299 120.912 120.570 0.072 0.000 2.163 231 I HA -0.201 3.969 4.170 0.001 0.000 0.243 231 I C 2.973 179.119 176.117 0.049 0.000 1.085 231 I CA 1.238 62.582 61.300 0.072 0.000 1.347 231 I CB -0.139 37.935 38.000 0.123 0.000 1.044 231 I HN 0.078 nan 8.210 nan 0.000 0.408 232 R N 0.192 120.717 120.500 0.042 0.000 2.235 232 R HA -0.013 4.327 4.340 0.001 0.000 0.213 232 R C 1.787 178.097 176.300 0.016 0.000 1.059 232 R CA 0.719 56.831 56.100 0.021 0.000 0.997 232 R CB -0.132 30.173 30.300 0.007 0.000 0.884 232 R HN 0.355 nan 8.270 nan 0.000 0.462 233 L N -0.223 121.013 121.223 0.020 0.000 2.612 233 L HA 0.169 4.509 4.340 0.001 0.000 0.230 233 L C 0.914 177.794 176.870 0.016 0.000 1.140 233 L CA 0.274 55.123 54.840 0.016 0.000 0.896 233 L CB 0.433 42.502 42.059 0.017 0.000 1.065 233 L HN 0.417 nan 8.230 nan 0.000 0.447 234 G N -0.105 108.706 108.800 0.019 0.000 2.132 234 G HA2 -0.252 3.709 3.960 0.001 0.000 0.234 234 G HA3 -0.252 3.709 3.960 0.001 0.000 0.234 234 G C 0.122 175.031 174.900 0.016 0.000 0.989 234 G CA -0.294 44.816 45.100 0.016 0.000 0.676 234 G HN 0.201 nan 8.290 nan 0.000 0.522 235 L N 0.426 121.661 121.223 0.020 0.000 2.399 235 L HA 0.485 4.826 4.340 0.001 0.000 0.266 235 L C 0.699 177.580 176.870 0.018 0.000 1.114 235 L CA -0.731 54.119 54.840 0.017 0.000 0.804 235 L CB 0.828 42.898 42.059 0.018 0.000 1.146 235 L HN 0.230 nan 8.230 nan 0.000 0.451 236 D N 2.069 122.475 120.400 0.010 0.000 2.390 236 D HA 0.101 4.742 4.640 0.001 0.000 0.249 236 D C -1.718 174.583 176.300 0.001 0.000 1.144 236 D CA -1.217 52.787 54.000 0.006 0.000 0.880 236 D CB 1.335 42.135 40.800 0.000 0.000 1.182 236 D HN 0.172 nan 8.370 nan 0.000 0.451 237 P HA -0.131 nan 4.420 nan 0.000 0.217 237 P C 0.830 178.109 177.300 -0.034 0.000 1.150 237 P CA 1.264 64.352 63.100 -0.020 0.000 0.832 237 P CB 0.215 31.892 31.700 -0.038 0.000 0.787 238 K N -0.848 119.532 120.400 -0.032 0.000 2.057 238 K HA -0.102 4.219 4.320 0.001 0.000 0.206 238 K C 2.041 178.625 176.600 -0.026 0.000 1.050 238 K CA 0.905 57.170 56.287 -0.036 0.000 0.935 238 K CB -0.806 31.673 32.500 -0.034 0.000 0.715 238 K HN 0.055 nan 8.250 nan 0.000 0.439 239 L N 1.118 122.331 121.223 -0.017 0.000 2.017 239 L HA -0.182 4.159 4.340 0.001 0.000 0.208 239 L C 2.140 179.005 176.870 -0.009 0.000 1.073 239 L CA 1.182 56.015 54.840 -0.011 0.000 0.745 239 L CB -0.353 41.703 42.059 -0.005 0.000 0.894 239 L HN 0.108 nan 8.230 nan 0.000 0.432 240 L N -0.210 121.009 121.223 -0.007 0.000 2.079 240 L HA -0.154 4.187 4.340 0.001 0.000 0.210 240 L C 2.488 179.353 176.870 -0.008 0.000 1.081 240 L CA 2.056 56.895 54.840 -0.002 0.000 0.752 240 L CB -1.028 41.034 42.059 0.005 0.000 0.896 240 L HN 0.311 nan 8.230 nan 0.000 0.433 241 A N -0.535 122.272 122.820 -0.021 0.000 1.877 241 A HA -0.282 4.039 4.320 0.001 0.000 0.216 241 A C 2.431 180.003 177.584 -0.020 0.000 1.186 241 A CA 1.983 54.003 52.037 -0.028 0.000 0.620 241 A CB -0.667 18.304 19.000 -0.049 0.000 0.822 241 A HN 0.498 nan 8.150 nan 0.000 0.443 242 K N -0.332 120.057 120.400 -0.019 0.000 2.034 242 K HA -0.194 4.127 4.320 0.001 0.000 0.214 242 K C 1.811 178.407 176.600 -0.006 0.000 1.051 242 K CA 2.120 58.399 56.287 -0.014 0.000 0.931 242 K CB -0.410 32.083 32.500 -0.012 0.000 0.715 242 K HN 0.488 nan 8.250 nan 0.000 0.446 243 I N 0.963 121.531 120.570 -0.003 0.000 2.142 243 I HA -0.321 3.850 4.170 0.001 0.000 0.240 243 I C 2.242 178.363 176.117 0.007 0.000 1.078 243 I CA 1.218 62.520 61.300 0.003 0.000 1.343 243 I CB -0.246 37.758 38.000 0.005 0.000 1.046 243 I HN 0.214 nan 8.210 nan 0.000 0.405 244 L N 0.432 121.659 121.223 0.007 0.000 2.043 244 L HA -0.260 4.081 4.340 0.001 0.000 0.212 244 L C 1.963 178.841 176.870 0.014 0.000 1.075 244 L CA 1.381 56.230 54.840 0.014 0.000 0.752 244 L CB -0.755 41.313 42.059 0.015 0.000 0.891 244 L HN 0.360 nan 8.230 nan 0.000 0.432 245 N N 0.085 118.788 118.700 0.005 0.000 2.515 245 N HA -0.057 4.684 4.740 0.001 0.000 0.185 245 N C 1.480 176.995 175.510 0.008 0.000 1.109 245 N CA 0.804 53.857 53.050 0.005 0.000 0.903 245 N CB 0.136 38.618 38.487 -0.008 0.000 0.969 245 N HN 0.539 nan 8.380 nan 0.000 0.450 246 M N -2.730 116.875 119.600 0.008 0.000 2.404 246 M HA 0.378 4.859 4.480 0.001 0.000 0.271 246 M C -0.259 176.049 176.300 0.013 0.000 1.128 246 M CA -0.101 55.205 55.300 0.009 0.000 0.982 246 M CB 0.631 33.235 32.600 0.006 0.000 1.445 246 M HN -0.291 nan 8.290 nan 0.000 0.495 247 S N 0.038 115.748 115.700 0.016 0.000 2.806 247 S HA 0.390 4.861 4.470 0.001 0.000 0.306 247 S C 0.839 175.453 174.600 0.023 0.000 1.167 247 S CA -0.207 58.003 58.200 0.018 0.000 0.847 247 S CB 1.889 65.099 63.200 0.016 0.000 1.216 247 S HN 0.449 nan 8.310 nan 0.000 0.532 248 S N 0.421 116.135 115.700 0.023 0.000 2.465 248 S HA -0.057 4.414 4.470 0.001 0.000 0.241 248 S C 1.687 176.307 174.600 0.033 0.000 1.000 248 S CA 1.090 59.306 58.200 0.026 0.000 0.964 248 S CB -0.852 62.362 63.200 0.023 0.000 0.763 248 S HN 0.891 nan 8.310 nan 0.000 0.512 249 G N 1.603 110.423 108.800 0.034 0.000 2.534 249 G HA2 -0.067 3.894 3.960 0.001 0.000 0.217 249 G HA3 -0.067 3.894 3.960 0.001 0.000 0.217 249 G C 0.608 175.537 174.900 0.049 0.000 1.128 249 G CA -0.402 44.723 45.100 0.041 0.000 0.784 249 G HN 0.603 nan 8.290 nan 0.000 0.542 250 R N 0.336 120.862 120.500 0.043 0.000 2.494 250 R HA 0.185 4.526 4.340 0.001 0.000 0.291 250 R C -0.166 176.177 176.300 0.073 0.000 0.953 250 R CA 0.674 56.803 56.100 0.049 0.000 1.098 250 R CB -0.438 29.887 30.300 0.041 0.000 0.911 250 R HN 0.341 nan 8.270 nan 0.000 0.407 251 C N 1.929 121.286 119.300 0.095 0.000 3.323 251 C HA 0.405 4.865 4.460 0.001 0.000 0.324 251 C C 1.087 176.197 174.990 0.200 0.000 1.428 251 C CA -1.233 57.876 59.018 0.150 0.000 1.368 251 C CB 0.079 27.915 27.740 0.160 0.000 1.731 251 C HN 1.146 nan 8.230 nan 0.000 0.455 252 W N 1.552 122.883 121.300 0.051 0.000 2.335 252 W HA -0.059 4.601 4.660 0.001 0.000 0.311 252 W C 2.279 178.860 176.519 0.104 0.000 1.213 252 W CA 2.610 59.992 57.345 0.061 0.000 1.274 252 W CB -0.414 29.067 29.460 0.035 0.000 1.148 252 W HN 0.748 nan 8.180 nan 0.000 0.498 253 S N 0.232 116.197 115.700 0.442 0.000 2.380 253 S HA -0.318 4.153 4.470 0.001 0.000 0.229 253 S C 1.973 176.603 174.600 0.050 0.000 1.043 253 S CA 2.337 60.702 58.200 0.275 0.000 1.038 253 S CB -0.948 62.476 63.200 0.372 0.000 0.872 253 S HN 0.529 nan 8.310 nan 0.000 0.456 254 S N 1.887 117.616 115.700 0.048 0.000 2.421 254 S HA -0.064 4.406 4.470 0.001 0.000 0.224 254 S C 1.372 175.935 174.600 -0.062 0.000 1.035 254 S CA 0.941 59.139 58.200 -0.004 0.000 0.953 254 S CB -0.375 62.840 63.200 0.025 0.000 0.810 254 S HN 0.664 nan 8.310 nan 0.000 0.497 255 D N 0.235 120.590 120.400 -0.074 0.000 2.339 255 D HA 0.139 4.780 4.640 0.001 0.000 0.217 255 D C 1.119 177.310 176.300 -0.182 0.000 1.050 255 D CA 0.541 54.484 54.000 -0.095 0.000 0.856 255 D CB -0.096 40.679 40.800 -0.042 0.000 0.922 255 D HN 0.399 nan 8.370 nan 0.000 0.518 256 T N -1.728 112.621 114.554 -0.343 0.000 3.010 256 T HA 0.089 4.440 4.350 0.001 0.000 0.253 256 T C -0.480 173.933 174.700 -0.478 0.000 0.939 256 T CA -0.139 61.662 62.100 -0.498 0.000 0.910 256 T CB 0.477 68.826 68.868 -0.866 0.000 1.226 256 T HN 0.079 nan 8.240 nan 0.000 0.508 257 Y N 2.534 122.423 120.300 -0.685 0.000 2.658 257 Y HA 0.438 4.988 4.550 0.001 0.000 0.273 257 Y C 0.143 175.887 175.900 -0.259 0.000 0.992 257 Y CA -1.216 56.587 58.100 -0.495 0.000 1.105 257 Y CB 0.145 38.189 38.460 -0.693 0.000 1.188 257 Y HN 0.018 nan 8.280 nan 0.000 0.616 258 N N 2.863 121.463 118.700 -0.166 0.000 2.447 258 N HA 0.016 4.756 4.740 0.001 0.000 0.263 258 N C -1.897 173.533 175.510 -0.132 0.000 1.226 258 N CA -0.579 52.397 53.050 -0.123 0.000 0.906 258 N CB 1.418 39.820 38.487 -0.142 0.000 1.060 258 N HN 0.192 nan 8.380 nan 0.000 0.468 259 P HA 0.005 nan 4.420 nan 0.000 0.241 259 P C 0.103 177.283 177.300 -0.201 0.000 1.191 259 P CA 0.331 63.416 63.100 -0.025 0.000 0.771 259 P CB 0.431 32.172 31.700 0.068 0.000 0.929 260 V N 3.122 122.766 119.914 -0.450 0.000 2.385 260 V HA 0.232 4.352 4.120 0.001 0.000 0.269 260 V C -2.205 173.705 176.094 -0.306 0.000 1.043 260 V CA -1.994 59.902 62.300 -0.674 0.000 0.906 260 V CB 0.802 32.201 31.823 -0.706 0.000 0.995 260 V HN -0.052 nan 8.190 nan 0.000 0.467 261 P HA 0.188 nan 4.420 nan 0.000 0.263 261 P C 0.993 178.222 177.300 -0.119 0.000 1.195 261 P CA 1.335 64.345 63.100 -0.149 0.000 0.762 261 P CB 0.555 32.208 31.700 -0.077 0.000 0.799 262 G N 1.619 110.343 108.800 -0.126 0.000 2.217 262 G HA2 -0.294 3.666 3.960 0.001 0.000 0.246 262 G HA3 -0.294 3.666 3.960 0.001 0.000 0.246 262 G C 0.979 175.821 174.900 -0.097 0.000 0.990 262 G CA 0.190 45.233 45.100 -0.096 0.000 0.627 262 G HN 0.403 nan 8.290 nan 0.000 0.522 263 V N 0.548 120.389 119.914 -0.121 0.000 2.379 263 V HA 0.276 4.396 4.120 0.001 0.000 0.245 263 V C 1.498 177.528 176.094 -0.106 0.000 1.044 263 V CA 2.322 64.555 62.300 -0.111 0.000 1.036 263 V CB -0.168 31.576 31.823 -0.131 0.000 0.664 263 V HN 0.497 nan 8.190 nan 0.000 0.453 264 M N -0.259 119.264 119.600 -0.128 0.000 2.393 264 M HA 0.401 4.881 4.480 0.001 0.000 0.299 264 M C -1.365 174.857 176.300 -0.130 0.000 1.103 264 M CA -0.710 54.516 55.300 -0.124 0.000 0.910 264 M CB 2.221 34.734 32.600 -0.144 0.000 1.659 264 M HN -0.008 nan 8.290 nan 0.000 0.445 265 D N 1.134 121.471 120.400 -0.105 0.000 2.362 265 D HA 0.403 5.044 4.640 0.001 0.000 0.242 265 D C 1.174 177.406 176.300 -0.113 0.000 1.132 265 D CA 1.073 55.013 54.000 -0.100 0.000 0.907 265 D CB 0.948 41.704 40.800 -0.073 0.000 1.195 265 D HN 0.920 nan 8.370 nan 0.000 0.429 266 G N -0.142 108.588 108.800 -0.115 0.000 2.159 266 G HA2 -0.193 3.768 3.960 0.001 0.000 0.256 266 G HA3 -0.193 3.768 3.960 0.001 0.000 0.256 266 G C 0.296 175.103 174.900 -0.156 0.000 0.977 266 G CA 0.554 45.589 45.100 -0.108 0.000 0.652 266 G HN 0.657 nan 8.290 nan 0.000 0.531 267 V N -3.525 116.253 119.914 -0.227 0.000 2.850 267 V HA 0.798 4.918 4.120 0.001 0.000 0.315 267 V C -0.622 175.253 176.094 -0.365 0.000 1.064 267 V CA -1.576 60.497 62.300 -0.378 0.000 0.979 267 V CB 1.565 33.127 31.823 -0.436 0.000 1.039 267 V HN -0.057 nan 8.190 nan 0.000 0.452 268 P HA -0.146 nan 4.420 nan 0.000 0.216 268 P C 1.895 178.948 177.300 -0.411 0.000 1.150 268 P CA 2.124 65.048 63.100 -0.292 0.000 0.843 268 P CB 0.003 31.597 31.700 -0.177 0.000 0.787 269 S N -0.554 114.854 115.700 -0.486 0.000 2.469 269 S HA -0.096 4.374 4.470 0.001 0.000 0.238 269 S C 1.890 176.198 174.600 -0.487 0.000 0.998 269 S CA 1.061 58.830 58.200 -0.719 0.000 0.957 269 S CB -1.230 61.756 63.200 -0.357 0.000 0.764 269 S HN 0.146 nan 8.310 nan 0.000 0.514 270 A N 0.907 123.528 122.820 -0.331 0.000 2.238 270 A HA 0.338 4.659 4.320 0.001 0.000 0.208 270 A C 1.168 178.634 177.584 -0.197 0.000 1.177 270 A CA 0.379 52.280 52.037 -0.227 0.000 0.804 270 A CB -0.446 18.449 19.000 -0.176 0.000 0.823 270 A HN 0.522 nan 8.150 nan 0.000 0.482 271 N N 0.190 118.747 118.700 -0.238 0.000 2.646 271 N HA 0.054 4.795 4.740 0.001 0.000 0.296 271 N C -0.301 175.108 175.510 -0.169 0.000 1.886 271 N CA -0.191 52.762 53.050 -0.162 0.000 0.855 271 N CB -0.695 37.724 38.487 -0.113 0.000 1.336 271 N HN 0.323 nan 8.380 nan 0.000 0.496 272 N N 1.576 120.137 118.700 -0.232 0.000 2.702 272 N HA -0.296 4.445 4.740 0.001 0.000 0.255 272 N C -0.862 174.633 175.510 -0.026 0.000 0.983 272 N CA 0.716 53.669 53.050 -0.161 0.000 0.768 272 N CB -0.541 37.940 38.487 -0.010 0.000 0.918 272 N HN 0.491 nan 8.380 nan 0.000 0.540 273 Y N -3.027 117.279 120.300 0.010 0.000 3.721 273 Y HA -0.314 4.237 4.550 0.001 0.000 0.218 273 Y C 0.685 176.605 175.900 0.034 0.000 1.188 273 Y CA 1.104 59.219 58.100 0.025 0.000 1.607 273 Y CB -2.182 36.326 38.460 0.079 0.000 1.496 273 Y HN 0.416 nan 8.280 nan 0.000 0.626 274 Q N 0.168 120.016 119.800 0.080 0.000 2.354 274 Q HA 0.449 4.790 4.340 0.001 0.000 0.244 274 Q C 1.418 177.465 176.000 0.079 0.000 0.969 274 Q CA 0.277 56.121 55.803 0.069 0.000 0.885 274 Q CB 1.063 29.817 28.738 0.026 0.000 1.241 274 Q HN 0.489 nan 8.270 nan 0.000 0.461 275 G N 1.039 109.891 108.800 0.087 0.000 2.614 275 G HA2 -0.168 3.793 3.960 0.001 0.000 0.303 275 G HA3 -0.168 3.793 3.960 0.001 0.000 0.303 275 G C 0.560 175.562 174.900 0.171 0.000 1.270 275 G CA -0.068 45.097 45.100 0.109 0.000 0.988 275 G HN 1.488 nan 8.290 nan 0.000 0.551 276 G N -1.486 107.442 108.800 0.213 0.000 2.512 276 G HA2 0.230 4.191 3.960 0.001 0.000 0.254 276 G HA3 0.230 4.191 3.960 0.001 0.000 0.254 276 G C 0.028 175.192 174.900 0.441 0.000 1.199 276 G CA 0.765 46.081 45.100 0.361 0.000 0.941 276 G HN 2.231 nan 8.290 nan 0.000 0.569 277 F N 2.932 123.124 119.950 0.403 0.000 2.411 277 F HA 0.660 5.188 4.527 0.001 0.000 0.352 277 F C 0.777 176.781 175.800 0.340 0.000 1.123 277 F CA -0.323 57.872 58.000 0.325 0.000 1.044 277 F CB 1.171 40.360 39.000 0.314 0.000 1.135 277 F HN 0.950 nan 8.300 nan 0.000 0.461 278 G N 3.733 112.333 108.800 -0.333 0.000 2.432 278 G HA2 0.244 4.205 3.960 0.001 0.000 0.257 278 G HA3 0.244 4.205 3.960 0.001 0.000 0.257 278 G C 0.683 175.358 174.900 -0.375 0.000 1.238 278 G CA -0.132 44.828 45.100 -0.232 0.000 0.838 278 G HN 0.796 nan 8.290 nan 0.000 0.547 279 T N 2.012 116.519 114.554 -0.077 0.000 2.737 279 T HA -0.180 4.171 4.350 0.001 0.000 0.269 279 T C 2.720 177.379 174.700 -0.068 0.000 1.040 279 T CA 2.074 64.185 62.100 0.018 0.000 1.142 279 T CB -0.229 68.731 68.868 0.154 0.000 0.861 279 T HN 0.533 nan 8.240 nan 0.000 0.456 280 T N 2.316 116.823 114.554 -0.077 0.000 2.652 280 T HA -0.026 4.325 4.350 0.001 0.000 0.267 280 T C 1.952 176.579 174.700 -0.121 0.000 1.039 280 T CA 1.124 63.185 62.100 -0.065 0.000 1.153 280 T CB -0.490 68.354 68.868 -0.040 0.000 0.863 280 T HN 0.293 nan 8.240 nan 0.000 0.428 281 L N 0.160 121.246 121.223 -0.229 0.000 2.093 281 L HA -0.060 4.280 4.340 0.001 0.000 0.208 281 L C 2.601 179.333 176.870 -0.229 0.000 1.085 281 L CA 0.980 55.691 54.840 -0.214 0.000 0.755 281 L CB -0.570 41.365 42.059 -0.206 0.000 0.904 281 L HN 0.268 nan 8.230 nan 0.000 0.435 282 M N 0.600 119.909 119.600 -0.486 0.000 2.086 282 M HA -0.137 4.343 4.480 0.001 0.000 0.261 282 M C 2.351 178.521 176.300 -0.217 0.000 1.067 282 M CA 2.115 57.212 55.300 -0.339 0.000 1.116 282 M CB -0.507 31.741 32.600 -0.586 0.000 1.348 282 M HN 0.150 nan 8.290 nan 0.000 0.407 283 A N 0.321 123.058 122.820 -0.138 0.000 1.908 283 A HA -0.244 4.077 4.320 0.001 0.000 0.218 283 A C 2.319 179.915 177.584 0.020 0.000 1.181 283 A CA 2.225 54.279 52.037 0.029 0.000 0.627 283 A CB -1.014 18.039 19.000 0.089 0.000 0.818 283 A HN 0.659 nan 8.150 nan 0.000 0.445 284 K N -0.566 119.823 120.400 -0.018 0.000 2.057 284 K HA -0.223 4.098 4.320 0.001 0.000 0.207 284 K C 1.218 177.791 176.600 -0.046 0.000 1.049 284 K CA 1.892 58.171 56.287 -0.013 0.000 0.931 284 K CB -0.322 32.174 32.500 -0.007 0.000 0.714 284 K HN 0.365 nan 8.250 nan 0.000 0.440 285 D N 0.981 121.353 120.400 -0.048 0.000 2.144 285 D HA -0.100 4.541 4.640 0.001 0.000 0.200 285 D C 2.037 178.257 176.300 -0.133 0.000 0.978 285 D CA 0.806 54.766 54.000 -0.067 0.000 0.833 285 D CB -0.102 40.679 40.800 -0.032 0.000 0.961 285 D HN 0.225 nan 8.370 nan 0.000 0.470 286 L N 0.384 121.510 121.223 -0.161 0.000 2.141 286 L HA -0.025 4.315 4.340 0.001 0.000 0.209 286 L C 2.451 178.998 176.870 -0.538 0.000 1.094 286 L CA 1.056 55.748 54.840 -0.246 0.000 0.763 286 L CB -0.496 41.492 42.059 -0.120 0.000 0.908 286 L HN 0.083 nan 8.230 nan 0.000 0.437 287 G N 0.047 108.544 108.800 -0.505 0.000 2.422 287 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 287 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 287 G C 1.617 176.357 174.900 -0.267 0.000 1.146 287 G CA 0.413 45.213 45.100 -0.501 0.000 0.769 287 G HN 0.202 nan 8.290 nan 0.000 0.547 288 L N 0.563 121.679 121.223 -0.179 0.000 1.994 288 L HA -0.072 4.268 4.340 0.001 0.000 0.208 288 L C 3.465 180.259 176.870 -0.126 0.000 1.071 288 L CA 1.097 55.866 54.840 -0.118 0.000 0.745 288 L CB -0.628 41.380 42.059 -0.085 0.000 0.892 288 L HN 0.308 nan 8.230 nan 0.000 0.431 289 A N -0.219 122.513 122.820 -0.147 0.000 1.884 289 A HA -0.361 3.959 4.320 0.001 0.000 0.219 289 A C 2.182 179.696 177.584 -0.116 0.000 1.197 289 A CA 2.409 54.372 52.037 -0.124 0.000 0.637 289 A CB -0.750 18.175 19.000 -0.125 0.000 0.827 289 A HN 0.456 nan 8.150 nan 0.000 0.450 290 Q N -0.317 119.377 119.800 -0.177 0.000 2.030 290 Q HA -0.215 4.126 4.340 0.001 0.000 0.204 290 Q C 1.485 177.451 176.000 -0.058 0.000 0.986 290 Q CA 2.376 58.112 55.803 -0.111 0.000 0.843 290 Q CB -0.370 28.272 28.738 -0.161 0.000 0.904 290 Q HN 0.629 nan 8.270 nan 0.000 0.420 291 D N -1.034 119.325 120.400 -0.069 0.000 2.178 291 D HA -0.052 4.589 4.640 0.001 0.000 0.202 291 D C 1.815 178.094 176.300 -0.035 0.000 0.974 291 D CA 1.124 55.102 54.000 -0.036 0.000 0.841 291 D CB -0.127 40.655 40.800 -0.030 0.000 0.953 291 D HN 0.156 nan 8.370 nan 0.000 0.478 292 S N -0.155 115.516 115.700 -0.048 0.000 2.387 292 S HA -0.038 4.433 4.470 0.001 0.000 0.226 292 S C 2.036 176.615 174.600 -0.035 0.000 1.026 292 S CA 0.784 58.959 58.200 -0.042 0.000 0.972 292 S CB -0.080 63.090 63.200 -0.050 0.000 0.814 292 S HN 0.341 nan 8.310 nan 0.000 0.477 293 A N 1.498 124.297 122.820 -0.036 0.000 1.877 293 A HA -0.123 4.197 4.320 0.001 0.000 0.216 293 A C 2.299 179.874 177.584 -0.015 0.000 1.186 293 A CA 2.120 54.142 52.037 -0.024 0.000 0.620 293 A CB -1.425 17.562 19.000 -0.021 0.000 0.822 293 A HN 0.471 nan 8.150 nan 0.000 0.443 294 T N -0.136 114.411 114.554 -0.011 0.000 2.595 294 T HA -0.210 4.140 4.350 0.001 0.000 0.264 294 T C 2.318 177.013 174.700 -0.009 0.000 1.058 294 T CA 2.259 64.356 62.100 -0.005 0.000 1.166 294 T CB -0.662 68.206 68.868 -0.000 0.000 0.863 294 T HN 0.665 nan 8.240 nan 0.000 0.415 295 S N 1.401 117.093 115.700 -0.014 0.000 2.380 295 S HA -0.201 4.269 4.470 0.001 0.000 0.229 295 S C 2.041 176.631 174.600 -0.016 0.000 1.043 295 S CA 2.276 60.467 58.200 -0.016 0.000 1.038 295 S CB -0.881 62.307 63.200 -0.020 0.000 0.872 295 S HN 0.741 nan 8.310 nan 0.000 0.456 296 T N -1.440 113.103 114.554 -0.018 0.000 3.144 296 T HA 0.328 4.678 4.350 0.001 0.000 0.249 296 T C 0.282 174.973 174.700 -0.014 0.000 1.089 296 T CA -0.029 62.060 62.100 -0.018 0.000 0.989 296 T CB -0.694 68.161 68.868 -0.023 0.000 0.992 296 T HN 0.540 nan 8.240 nan 0.000 0.540 297 K N 1.157 121.551 120.400 -0.011 0.000 3.451 297 K HA -0.127 4.193 4.320 0.001 0.000 0.273 297 K C -0.806 175.789 176.600 -0.008 0.000 0.944 297 K CA 0.223 56.505 56.287 -0.008 0.000 0.734 297 K CB -1.926 30.570 32.500 -0.007 0.000 1.437 297 K HN 0.403 nan 8.250 nan 0.000 0.454 298 S N 1.669 117.364 115.700 -0.009 0.000 2.530 298 S HA 0.353 4.823 4.470 0.001 0.000 0.322 298 S C -2.107 172.490 174.600 -0.004 0.000 1.085 298 S CA -1.204 56.991 58.200 -0.009 0.000 1.096 298 S CB 1.433 64.624 63.200 -0.015 0.000 0.988 298 S HN 0.136 nan 8.310 nan 0.000 0.466 299 P HA 0.335 nan 4.420 nan 0.000 0.282 299 P C -0.843 176.460 177.300 0.005 0.000 1.274 299 P CA -0.422 62.681 63.100 0.004 0.000 0.770 299 P CB 0.097 31.800 31.700 0.004 0.000 0.867 300 I N 0.546 121.122 120.570 0.011 0.000 2.563 300 I HA 0.238 4.409 4.170 0.001 0.000 0.276 300 I C 0.438 176.571 176.117 0.026 0.000 1.074 300 I CA -0.800 60.508 61.300 0.014 0.000 1.124 300 I CB 0.942 38.947 38.000 0.008 0.000 1.225 300 I HN -0.027 nan 8.210 nan 0.000 0.482 301 L N 3.892 125.130 121.223 0.025 0.000 2.013 301 L HA 0.079 4.420 4.340 0.001 0.000 0.204 301 L C 2.203 179.097 176.870 0.040 0.000 1.081 301 L CA 1.574 56.432 54.840 0.030 0.000 0.751 301 L CB -0.564 41.510 42.059 0.024 0.000 0.901 301 L HN 0.607 nan 8.230 nan 0.000 0.440 302 L N -0.406 120.840 121.223 0.040 0.000 2.081 302 L HA -0.199 4.141 4.340 0.001 0.000 0.212 302 L C 2.556 179.465 176.870 0.064 0.000 1.080 302 L CA 1.533 56.404 54.840 0.051 0.000 0.754 302 L CB -1.468 40.620 42.059 0.049 0.000 0.893 302 L HN 0.508 nan 8.230 nan 0.000 0.433 303 G N -0.924 107.907 108.800 0.053 0.000 2.418 303 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 303 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 303 G C 1.772 176.725 174.900 0.089 0.000 1.158 303 G CA 0.907 46.040 45.100 0.056 0.000 0.771 303 G HN 0.318 nan 8.290 nan 0.000 0.545 304 S N 0.138 115.889 115.700 0.085 0.000 2.359 304 S HA -0.084 4.386 4.470 0.001 0.000 0.224 304 S C 2.287 176.963 174.600 0.127 0.000 1.035 304 S CA 0.913 59.185 58.200 0.120 0.000 1.018 304 S CB -0.262 62.987 63.200 0.083 0.000 0.876 304 S HN 0.165 nan 8.310 nan 0.000 0.448 305 L N 1.631 122.908 121.223 0.091 0.000 2.042 305 L HA -0.063 4.278 4.340 0.001 0.000 0.210 305 L C 2.565 179.505 176.870 0.115 0.000 1.076 305 L CA 1.758 56.645 54.840 0.080 0.000 0.749 305 L CB -1.363 40.734 42.059 0.063 0.000 0.893 305 L HN 0.292 nan 8.230 nan 0.000 0.432 306 A N -1.474 121.437 122.820 0.153 0.000 1.892 306 A HA -0.330 3.990 4.320 0.001 0.000 0.218 306 A C 2.366 180.140 177.584 0.316 0.000 1.188 306 A CA 2.103 54.281 52.037 0.236 0.000 0.631 306 A CB -1.082 18.047 19.000 0.216 0.000 0.822 306 A HN 0.660 nan 8.150 nan 0.000 0.447 307 H N -1.018 118.127 119.070 0.125 0.000 2.290 307 H HA -0.175 4.381 4.556 0.001 0.000 0.298 307 H C 2.072 177.460 175.328 0.101 0.000 1.087 307 H CA 1.602 57.710 56.048 0.100 0.000 1.291 307 H CB 0.064 29.854 29.762 0.046 0.000 1.369 307 H HN 0.423 nan 8.280 nan 0.000 0.492 308 Q N 0.566 120.351 119.800 -0.024 0.000 2.167 308 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 308 Q C 2.591 178.560 176.000 -0.050 0.000 0.970 308 Q CA 0.847 56.574 55.803 -0.125 0.000 0.855 308 Q CB -0.206 28.486 28.738 -0.077 0.000 0.911 308 Q HN 0.617 nan 8.270 nan 0.000 0.438 309 I N -0.546 120.025 120.570 0.002 0.000 2.202 309 I HA -0.277 3.894 4.170 0.001 0.000 0.242 309 I C 1.828 177.817 176.117 -0.213 0.000 1.091 309 I CA 1.131 62.390 61.300 -0.070 0.000 1.368 309 I CB -0.258 37.703 38.000 -0.065 0.000 1.058 309 I HN 0.094 nan 8.210 nan 0.000 0.410 310 Y N 0.308 120.570 120.300 -0.064 0.000 2.293 310 Y HA -0.232 4.318 4.550 0.001 0.000 0.291 310 Y C 2.642 178.478 175.900 -0.108 0.000 1.137 310 Y CA 1.197 59.242 58.100 -0.091 0.000 1.202 310 Y CB -0.334 38.124 38.460 -0.003 0.000 0.990 310 Y HN 0.041 nan 8.280 nan 0.000 0.537 311 R N 0.427 120.944 120.500 0.029 0.000 2.083 311 R HA -0.177 4.164 4.340 0.001 0.000 0.237 311 R C 2.028 178.280 176.300 -0.079 0.000 1.137 311 R CA 1.886 57.963 56.100 -0.039 0.000 0.951 311 R CB -0.507 29.711 30.300 -0.138 0.000 0.851 311 R HN 0.291 nan 8.270 nan 0.000 0.434 312 M N -0.711 118.814 119.600 -0.125 0.000 2.159 312 M HA -0.156 4.325 4.480 0.001 0.000 0.263 312 M C 2.298 178.441 176.300 -0.263 0.000 1.063 312 M CA 1.729 56.945 55.300 -0.140 0.000 1.110 312 M CB -0.236 32.315 32.600 -0.082 0.000 1.374 312 M HN 0.213 nan 8.290 nan 0.000 0.411 313 M N -0.595 118.713 119.600 -0.486 0.000 2.149 313 M HA -0.245 4.236 4.480 0.001 0.000 0.261 313 M C 2.298 178.533 176.300 -0.108 0.000 1.064 313 M CA 1.327 56.300 55.300 -0.544 0.000 1.102 313 M CB -0.592 31.576 32.600 -0.721 0.000 1.369 313 M HN 0.400 nan 8.290 nan 0.000 0.408 314 C N 0.044 119.309 119.300 -0.058 0.000 2.411 314 C HA -0.122 4.338 4.460 0.001 0.000 0.279 314 C C 2.792 177.787 174.990 0.007 0.000 1.288 314 C CA 1.169 60.190 59.018 0.005 0.000 1.764 314 C CB -1.338 26.408 27.740 0.009 0.000 1.974 314 C HN 0.638 nan 8.230 nan 0.000 0.498 315 A N -0.789 122.025 122.820 -0.010 0.000 2.218 315 A HA 0.061 4.382 4.320 0.001 0.000 0.209 315 A C 1.620 179.220 177.584 0.027 0.000 1.168 315 A CA 0.729 52.770 52.037 0.006 0.000 0.804 315 A CB -0.170 18.829 19.000 -0.001 0.000 0.834 315 A HN 0.684 nan 8.150 nan 0.000 0.482 316 K N -1.139 119.293 120.400 0.053 0.000 2.564 316 K HA 0.344 4.664 4.320 0.001 0.000 0.205 316 K C 0.567 177.230 176.600 0.106 0.000 1.053 316 K CA 0.370 56.726 56.287 0.114 0.000 1.072 316 K CB 0.568 33.176 32.500 0.180 0.000 0.822 316 K HN 0.485 nan 8.250 nan 0.000 0.497 317 G N 0.775 109.588 108.800 0.021 0.000 2.130 317 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 317 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 317 G C 0.060 174.779 174.900 -0.302 0.000 0.999 317 G CA -0.154 44.871 45.100 -0.126 0.000 0.686 317 G HN 0.379 nan 8.290 nan 0.000 0.515 318 Y N 0.777 121.040 120.300 -0.061 0.000 2.467 318 Y HA 0.204 4.754 4.550 0.001 0.000 0.250 318 Y C 2.551 178.431 175.900 -0.032 0.000 1.155 318 Y CA 0.874 58.938 58.100 -0.061 0.000 1.249 318 Y CB 0.406 38.784 38.460 -0.136 0.000 1.146 318 Y HN 0.454 nan 8.280 nan 0.000 0.524 319 S N -0.441 115.305 115.700 0.077 0.000 2.383 319 S HA -0.198 4.273 4.470 0.001 0.000 0.229 319 S C 1.854 176.475 174.600 0.035 0.000 1.030 319 S CA 1.487 59.717 58.200 0.048 0.000 1.002 319 S CB -0.370 62.842 63.200 0.021 0.000 0.829 319 S HN 0.218 nan 8.310 nan 0.000 0.467 320 K N 0.758 121.176 120.400 0.031 0.000 2.356 320 K HA 0.311 4.631 4.320 0.001 0.000 0.195 320 K C 0.656 177.296 176.600 0.065 0.000 1.037 320 K CA 0.229 56.535 56.287 0.032 0.000 1.014 320 K CB -0.112 32.398 32.500 0.017 0.000 0.815 320 K HN 0.612 nan 8.250 nan 0.000 0.507 321 K N 1.573 122.029 120.400 0.094 0.000 2.202 321 K HA 0.128 4.448 4.320 0.001 0.000 0.264 321 K C -0.067 176.643 176.600 0.185 0.000 1.010 321 K CA -0.205 56.175 56.287 0.154 0.000 0.940 321 K CB 0.529 33.138 32.500 0.182 0.000 0.983 321 K HN 0.147 nan 8.250 nan 0.000 0.475 322 D N 0.523 121.065 120.400 0.238 0.000 2.443 322 D HA -0.134 4.507 4.640 0.001 0.000 0.234 322 D C 0.826 177.272 176.300 0.243 0.000 1.172 322 D CA 0.177 54.336 54.000 0.265 0.000 0.878 322 D CB 0.410 41.381 40.800 0.285 0.000 1.204 322 D HN 0.429 nan 8.370 nan 0.000 0.453 323 F N 0.875 120.984 119.950 0.266 0.000 2.451 323 F HA -0.023 4.505 4.527 0.001 0.000 0.299 323 F C 2.020 178.051 175.800 0.386 0.000 1.101 323 F CA 0.641 58.832 58.000 0.319 0.000 1.436 323 F CB -0.938 38.177 39.000 0.193 0.000 1.074 323 F HN 0.252 nan 8.300 nan 0.000 0.553 324 S N 0.252 115.715 115.700 -0.396 0.000 2.515 324 S HA -0.145 4.326 4.470 0.001 0.000 0.231 324 S C 1.878 176.417 174.600 -0.103 0.000 0.987 324 S CA 0.548 58.655 58.200 -0.156 0.000 0.936 324 S CB -1.282 61.894 63.200 -0.040 0.000 0.766 324 S HN 0.576 nan 8.310 nan 0.000 0.528 325 S N 1.001 116.483 115.700 -0.364 0.000 2.537 325 S HA -0.008 4.462 4.470 0.001 0.000 0.240 325 S C 1.571 175.934 174.600 -0.395 0.000 0.981 325 S CA 0.589 58.262 58.200 -0.878 0.000 0.948 325 S CB -0.787 62.112 63.200 -0.502 0.000 0.759 325 S HN 0.465 nan 8.310 nan 0.000 0.531 326 V N 0.950 120.743 119.914 -0.201 0.000 2.546 326 V HA -0.140 3.981 4.120 0.001 0.000 0.254 326 V C 1.750 177.826 176.094 -0.030 0.000 1.076 326 V CA 2.079 64.276 62.300 -0.170 0.000 1.087 326 V CB -0.896 30.851 31.823 -0.126 0.000 0.674 326 V HN 0.627 nan 8.190 nan 0.000 0.470 327 F N 0.844 120.734 119.950 -0.099 0.000 2.102 327 F HA -0.174 4.353 4.527 0.001 0.000 0.298 327 F C 2.449 178.241 175.800 -0.013 0.000 1.105 327 F CA 2.492 60.480 58.000 -0.020 0.000 1.239 327 F CB -0.435 38.600 39.000 0.058 0.000 0.991 327 F HN 0.240 nan 8.300 nan 0.000 0.474 328 Q N -0.715 119.092 119.800 0.012 0.000 2.084 328 Q HA -0.261 4.079 4.340 0.001 0.000 0.202 328 Q C 2.290 178.290 176.000 -0.000 0.000 0.978 328 Q CA 1.983 57.808 55.803 0.038 0.000 0.844 328 Q CB -0.559 28.300 28.738 0.202 0.000 0.898 328 Q HN 0.496 nan 8.270 nan 0.000 0.426 329 F N 0.771 120.546 119.950 -0.291 0.000 2.161 329 F HA -0.177 4.351 4.527 0.001 0.000 0.300 329 F C 1.602 177.236 175.800 -0.276 0.000 1.089 329 F CA 1.235 58.997 58.000 -0.397 0.000 1.282 329 F CB -0.090 38.427 39.000 -0.805 0.000 1.010 329 F HN 0.063 nan 8.300 nan 0.000 0.485 330 L N -0.423 120.575 121.223 -0.375 0.000 2.179 330 L HA -0.041 4.299 4.340 0.001 0.000 0.208 330 L C 1.192 177.819 176.870 -0.405 0.000 1.096 330 L CA 0.488 55.071 54.840 -0.429 0.000 0.779 330 L CB -0.488 41.394 42.059 -0.296 0.000 0.922 330 L HN -0.182 nan 8.230 nan 0.000 0.443 331 R N 1.449 121.679 120.500 -0.450 0.000 2.389 331 R HA 0.059 4.399 4.340 0.001 0.000 0.295 331 R C 0.444 176.607 176.300 -0.228 0.000 1.075 331 R CA -0.112 55.758 56.100 -0.383 0.000 1.005 331 R CB 0.804 30.805 30.300 -0.500 0.000 0.987 331 R HN 0.180 nan 8.270 nan 0.000 0.452 332 E N 0.000 120.095 120.200 -0.175 0.000 2.725 332 E HA 0.000 4.351 4.350 0.001 0.000 0.291 332 E CA 0.000 56.328 56.400 -0.120 0.000 0.976 332 E CB 0.000 29.645 29.700 -0.092 0.000 0.812 332 E HN 0.000 nan 8.360 nan 0.000 0.440