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 2gf2_1_B 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 0.000 176.377 176.300 0.129 0.000 1.140 40 M CA 0.000 55.351 55.300 0.085 0.000 0.988 40 M CB 0.000 32.653 32.600 0.088 0.000 1.302 41 P HA 0.708 nan 4.420 nan 0.000 0.275 41 P C -0.741 176.607 177.300 0.080 0.000 1.228 41 P CA -0.282 62.878 63.100 0.100 0.000 0.786 41 P CB 1.411 33.152 31.700 0.068 0.000 0.927 42 V N 1.929 121.890 119.914 0.078 0.000 2.513 42 V HA 0.551 4.671 4.120 -0.000 0.000 0.299 42 V C 0.961 177.079 176.094 0.040 0.000 1.035 42 V CA -0.538 61.772 62.300 0.015 0.000 0.889 42 V CB 1.628 33.413 31.823 -0.064 0.000 0.988 42 V HN 0.804 nan 8.190 nan 0.000 0.440 43 G N 2.416 111.221 108.800 0.007 0.000 2.444 43 G HA2 0.534 4.494 3.960 -0.000 0.000 0.268 43 G HA3 0.534 4.494 3.960 -0.000 0.000 0.268 43 G C -1.352 173.573 174.900 0.042 0.000 1.203 43 G CA -0.023 45.090 45.100 0.020 0.000 0.835 43 G HN 0.452 nan 8.290 nan 0.000 0.543 44 F N 1.423 121.333 119.950 -0.066 0.000 2.562 44 F HA 0.543 5.070 4.527 -0.000 0.000 0.319 44 F C -0.515 175.245 175.800 -0.068 0.000 1.154 44 F CA -0.982 56.968 58.000 -0.083 0.000 0.931 44 F CB 1.804 40.726 39.000 -0.129 0.000 1.198 44 F HN 0.259 nan 8.300 nan 0.000 0.444 45 I N 4.848 125.423 120.570 0.009 0.000 2.382 45 I HA 0.669 4.839 4.170 -0.000 0.000 0.286 45 I C -0.035 176.139 176.117 0.095 0.000 1.002 45 I CA -0.636 60.715 61.300 0.085 0.000 1.135 45 I CB 1.628 39.648 38.000 0.033 0.000 1.288 45 I HN 0.790 nan 8.210 nan 0.000 0.448 46 G N 6.230 115.097 108.800 0.112 0.000 3.380 46 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.685 46 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.685 46 G C -0.861 174.130 174.900 0.151 0.000 1.136 46 G CA -0.949 44.204 45.100 0.089 0.000 1.011 46 G HN 0.569 nan 8.290 nan 0.000 0.471 47 L N 2.877 124.120 121.223 0.033 0.000 2.999 47 L HA 0.493 4.833 4.340 -0.000 0.000 0.263 47 L C 1.501 178.392 176.870 0.034 0.000 1.320 47 L CA -0.058 54.785 54.840 0.005 0.000 0.913 47 L CB 0.453 42.460 42.059 -0.088 0.000 1.296 47 L HN 0.745 nan 8.230 nan 0.000 0.546 48 G N 0.382 109.201 108.800 0.032 0.000 2.485 48 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.260 48 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.260 48 G C 0.940 175.864 174.900 0.040 0.000 1.459 48 G CA 0.033 45.141 45.100 0.013 0.000 1.060 48 G HN 0.536 nan 8.290 nan 0.000 0.546 49 N N -0.976 117.744 118.700 0.033 0.000 2.519 49 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 49 N C 1.533 177.077 175.510 0.057 0.000 1.062 49 N CA 1.506 54.584 53.050 0.046 0.000 0.910 49 N CB -0.022 38.491 38.487 0.043 0.000 0.958 49 N HN 0.272 nan 8.380 nan 0.000 0.445 50 M N -0.956 118.681 119.600 0.063 0.000 2.858 50 M HA 0.314 4.794 4.480 -0.000 0.000 0.255 50 M C 2.152 178.514 176.300 0.102 0.000 1.336 50 M CA 0.927 56.271 55.300 0.072 0.000 1.220 50 M CB -1.098 31.540 32.600 0.063 0.000 1.252 50 M HN 0.287 nan 8.290 nan 0.000 0.538 51 G N 1.548 110.427 108.800 0.132 0.000 2.440 51 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 51 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 51 G C 1.421 176.261 174.900 -0.100 0.000 1.154 51 G CA 1.282 46.491 45.100 0.181 0.000 0.767 51 G HN 0.470 nan 8.290 nan 0.000 0.552 52 N N 1.426 120.131 118.700 0.008 0.000 2.007 52 N HA -0.104 4.636 4.740 -0.000 0.000 0.197 52 N C 0.027 175.601 175.510 0.107 0.000 1.050 52 N CA 1.967 55.098 53.050 0.135 0.000 0.856 52 N CB -0.885 37.721 38.487 0.198 0.000 1.050 52 N HN 0.205 nan 8.380 nan 0.000 0.423 53 P HA -0.082 nan 4.420 nan 0.000 0.220 53 P C 1.697 179.024 177.300 0.046 0.000 1.148 53 P CA 1.205 64.340 63.100 0.057 0.000 0.803 53 P CB -0.150 31.585 31.700 0.057 0.000 0.782 54 M N -0.267 119.348 119.600 0.025 0.000 2.086 54 M HA -0.093 4.387 4.480 -0.000 0.000 0.261 54 M C 2.370 178.625 176.300 -0.074 0.000 1.067 54 M CA 2.103 57.447 55.300 0.073 0.000 1.116 54 M CB -0.943 31.818 32.600 0.267 0.000 1.348 54 M HN -0.094 nan 8.290 nan 0.000 0.407 55 A N 0.464 122.990 122.820 -0.491 0.000 1.902 55 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 55 A C 2.101 179.662 177.584 -0.039 0.000 1.181 55 A CA 1.706 53.400 52.037 -0.571 0.000 0.623 55 A CB -0.545 17.853 19.000 -1.003 0.000 0.818 55 A HN 0.427 nan 8.150 nan 0.000 0.443 56 K N -0.330 120.125 120.400 0.091 0.000 2.097 56 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 56 K C 1.581 178.252 176.600 0.118 0.000 1.049 56 K CA 1.339 57.702 56.287 0.128 0.000 0.933 56 K CB -0.206 32.339 32.500 0.076 0.000 0.717 56 K HN 0.375 nan 8.250 nan 0.000 0.442 57 N N 0.996 119.771 118.700 0.125 0.000 2.309 57 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 57 N C 1.737 177.415 175.510 0.280 0.000 1.018 57 N CA 0.832 53.998 53.050 0.193 0.000 0.876 57 N CB -0.053 38.544 38.487 0.183 0.000 0.972 57 N HN 0.149 nan 8.380 nan 0.000 0.434 58 L N 0.294 121.642 121.223 0.208 0.000 2.093 58 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 58 L C 2.228 179.306 176.870 0.346 0.000 1.085 58 L CA 0.824 55.828 54.840 0.273 0.000 0.755 58 L CB -0.275 41.875 42.059 0.151 0.000 0.904 58 L HN 0.129 nan 8.230 nan 0.000 0.435 59 M N -0.697 119.040 119.600 0.227 0.000 2.175 59 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 59 M C 2.134 178.513 176.300 0.131 0.000 1.063 59 M CA 1.614 57.020 55.300 0.177 0.000 1.119 59 M CB -0.403 32.282 32.600 0.142 0.000 1.377 59 M HN 0.070 nan 8.290 nan 0.000 0.415 60 K N -0.463 120.014 120.400 0.130 0.000 2.209 60 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 60 K C 1.250 177.823 176.600 -0.045 0.000 1.048 60 K CA 1.145 57.455 56.287 0.038 0.000 0.940 60 K CB -0.160 32.359 32.500 0.032 0.000 0.729 60 K HN 0.423 nan 8.250 nan 0.000 0.451 61 H N -1.548 117.570 119.070 0.081 0.000 2.539 61 H HA 0.122 4.678 4.556 -0.000 0.000 0.269 61 H C 0.923 176.181 175.328 -0.117 0.000 0.980 61 H CA 0.691 56.761 56.048 0.037 0.000 1.152 61 H CB 0.938 30.795 29.762 0.158 0.000 1.407 61 H HN 0.393 nan 8.280 nan 0.000 0.564 62 G N -0.511 108.292 108.800 0.005 0.000 2.159 62 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.227 62 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.227 62 G C -0.511 174.315 174.900 -0.123 0.000 0.986 62 G CA -0.508 44.536 45.100 -0.094 0.000 0.651 62 G HN 0.285 nan 8.290 nan 0.000 0.523 63 Y N 1.447 121.793 120.300 0.076 0.000 2.393 63 Y HA 0.455 5.005 4.550 -0.000 0.000 0.338 63 Y C -1.672 174.264 175.900 0.060 0.000 1.029 63 Y CA -1.943 56.195 58.100 0.063 0.000 1.239 63 Y CB 0.844 39.344 38.460 0.067 0.000 1.170 63 Y HN 0.017 nan 8.280 nan 0.000 0.515 64 P HA 0.128 nan 4.420 nan 0.000 0.271 64 P C -1.071 176.318 177.300 0.148 0.000 1.216 64 P CA -0.144 63.039 63.100 0.138 0.000 0.776 64 P CB 0.751 32.511 31.700 0.099 0.000 0.881 65 L N 3.821 125.116 121.223 0.120 0.000 2.362 65 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 65 L C -0.239 176.677 176.870 0.077 0.000 1.002 65 L CA -0.287 54.614 54.840 0.102 0.000 0.818 65 L CB 1.495 43.606 42.059 0.087 0.000 1.298 65 L HN 0.285 nan 8.230 nan 0.000 0.420 66 I N 4.519 125.130 120.570 0.069 0.000 2.355 66 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 66 I C -0.657 175.498 176.117 0.063 0.000 0.999 66 I CA -0.330 61.005 61.300 0.059 0.000 1.163 66 I CB 1.135 39.163 38.000 0.046 0.000 1.316 66 I HN 0.243 nan 8.210 nan 0.000 0.454 67 I N 6.680 127.283 120.570 0.054 0.000 2.460 67 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 67 I C -0.815 175.379 176.117 0.128 0.000 0.989 67 I CA -0.828 60.492 61.300 0.032 0.000 1.173 67 I CB 1.446 39.399 38.000 -0.079 0.000 1.338 67 I HN 0.467 nan 8.210 nan 0.000 0.456 68 Y N 4.122 124.416 120.300 -0.010 0.000 2.479 68 Y HA 0.540 5.090 4.550 -0.000 0.000 0.338 68 Y C -1.583 174.329 175.900 0.019 0.000 1.055 68 Y CA -0.919 57.183 58.100 0.004 0.000 1.023 68 Y CB 1.917 40.376 38.460 -0.003 0.000 1.287 68 Y HN 0.684 nan 8.280 nan 0.000 0.447 69 D N 3.056 122.921 120.400 -0.891 0.000 2.857 69 D HA 0.274 4.914 4.640 -0.000 0.000 0.227 69 D C -0.224 175.502 176.300 -0.957 0.000 1.192 69 D CA -0.564 52.986 54.000 -0.750 0.000 0.857 69 D CB 2.532 43.182 40.800 -0.249 0.000 1.645 69 D HN 0.436 nan 8.370 nan 0.000 0.482 70 V N 2.752 122.352 119.914 -0.523 0.000 2.720 70 V HA 0.017 4.137 4.120 -0.000 0.000 0.256 70 V C 0.094 176.277 176.094 0.147 0.000 1.082 70 V CA 1.293 63.542 62.300 -0.085 0.000 1.101 70 V CB -0.467 31.441 31.823 0.141 0.000 0.693 70 V HN 0.422 nan 8.190 nan 0.000 0.479 71 F N 2.247 122.104 119.950 -0.154 0.000 2.350 71 F HA 0.421 4.948 4.527 -0.000 0.000 0.365 71 F C -0.881 174.870 175.800 -0.081 0.000 1.122 71 F CA -3.002 54.950 58.000 -0.079 0.000 1.139 71 F CB 1.021 39.993 39.000 -0.046 0.000 1.220 71 F HN 0.103 nan 8.300 nan 0.000 0.499 72 P HA -0.157 nan 4.420 nan 0.000 0.220 72 P C 0.792 178.112 177.300 0.034 0.000 1.148 72 P CA 1.263 64.363 63.100 0.000 0.000 0.803 72 P CB 0.437 32.122 31.700 -0.024 0.000 0.782 73 D N 0.332 120.754 120.400 0.037 0.000 2.178 73 D HA -0.072 4.567 4.640 -0.000 0.000 0.201 73 D C 2.026 178.395 176.300 0.114 0.000 0.980 73 D CA 1.335 55.374 54.000 0.066 0.000 0.842 73 D CB -0.734 40.103 40.800 0.061 0.000 0.948 73 D HN 0.140 nan 8.370 nan 0.000 0.472 74 A N -0.527 122.386 122.820 0.156 0.000 2.167 74 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 74 A C 2.045 179.749 177.584 0.199 0.000 1.151 74 A CA 0.487 52.622 52.037 0.163 0.000 0.735 74 A CB -0.334 18.750 19.000 0.140 0.000 0.802 74 A HN 0.327 nan 8.150 nan 0.000 0.467 75 C N -1.547 117.843 119.300 0.150 0.000 2.674 75 C HA 0.251 4.711 4.460 -0.000 0.000 0.276 75 C C 3.119 178.238 174.990 0.216 0.000 1.300 75 C CA 0.742 59.866 59.018 0.176 0.000 1.732 75 C CB -0.374 27.410 27.740 0.073 0.000 2.076 75 C HN 0.720 nan 8.230 nan 0.000 0.548 76 K N 1.377 121.858 120.400 0.136 0.000 2.103 76 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 76 K C 1.728 178.369 176.600 0.067 0.000 1.048 76 K CA 2.093 58.432 56.287 0.088 0.000 0.930 76 K CB -0.872 31.659 32.500 0.051 0.000 0.716 76 K HN 0.716 nan 8.250 nan 0.000 0.444 77 E N -1.234 118.992 120.200 0.043 0.000 2.085 77 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 77 E C 1.785 178.265 176.600 -0.200 0.000 0.994 77 E CA 1.594 57.919 56.400 -0.125 0.000 0.801 77 E CB -0.199 29.342 29.700 -0.265 0.000 0.743 77 E HN 0.700 nan 8.360 nan 0.000 0.453 78 F N 0.382 120.329 119.950 -0.004 0.000 2.335 78 F HA 0.001 4.528 4.527 -0.000 0.000 0.296 78 F C 2.578 178.383 175.800 0.008 0.000 1.091 78 F CA 0.696 58.693 58.000 -0.004 0.000 1.399 78 F CB -0.195 38.798 39.000 -0.010 0.000 1.067 78 F HN 0.036 nan 8.300 nan 0.000 0.520 79 Q N 0.423 120.332 119.800 0.183 0.000 2.119 79 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 79 Q C 1.147 177.185 176.000 0.063 0.000 0.972 79 Q CA 1.428 57.297 55.803 0.111 0.000 0.847 79 Q CB -0.045 28.749 28.738 0.092 0.000 0.903 79 Q HN 0.236 nan 8.270 nan 0.000 0.433 80 D N -0.493 119.929 120.400 0.037 0.000 2.378 80 D HA -0.071 4.569 4.640 -0.000 0.000 0.222 80 D C 0.459 176.760 176.300 0.001 0.000 0.980 80 D CA 0.881 54.886 54.000 0.009 0.000 0.907 80 D CB 0.283 41.075 40.800 -0.014 0.000 0.899 80 D HN 0.308 nan 8.370 nan 0.000 0.527 81 A N -1.041 121.786 122.820 0.012 0.000 2.571 81 A HA 0.551 4.871 4.320 -0.000 0.000 0.274 81 A C 1.442 179.047 177.584 0.036 0.000 1.196 81 A CA 0.409 52.450 52.037 0.008 0.000 0.957 81 A CB 0.356 19.341 19.000 -0.024 0.000 1.150 81 A HN 0.105 nan 8.150 nan 0.000 0.539 82 G N -0.201 108.629 108.800 0.049 0.000 2.131 82 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.223 82 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.223 82 G C -0.346 174.597 174.900 0.071 0.000 0.990 82 G CA 0.124 45.255 45.100 0.052 0.000 0.671 82 G HN 0.402 nan 8.290 nan 0.000 0.521 83 E N 0.285 120.546 120.200 0.101 0.000 2.277 83 E HA 0.362 4.712 4.350 -0.000 0.000 0.274 83 E C 0.264 176.921 176.600 0.096 0.000 1.022 83 E CA -0.555 55.913 56.400 0.114 0.000 0.853 83 E CB 1.042 30.844 29.700 0.170 0.000 1.086 83 E HN 0.459 nan 8.360 nan 0.000 0.397 84 Q N 1.560 121.407 119.800 0.079 0.000 2.307 84 Q HA 0.232 4.572 4.340 -0.000 0.000 0.259 84 Q C -0.874 175.169 176.000 0.071 0.000 0.998 84 Q CA -0.314 55.529 55.803 0.067 0.000 0.923 84 Q CB 0.847 29.618 28.738 0.055 0.000 1.196 84 Q HN 0.214 nan 8.270 nan 0.000 0.416 85 V N 5.383 125.342 119.914 0.076 0.000 2.407 85 V HA 0.328 4.448 4.120 -0.000 0.000 0.278 85 V C 0.328 176.475 176.094 0.088 0.000 1.037 85 V CA -0.438 61.913 62.300 0.085 0.000 0.900 85 V CB 1.176 33.053 31.823 0.090 0.000 0.983 85 V HN 0.627 nan 8.190 nan 0.000 0.459 86 V N 2.462 122.443 119.914 0.111 0.000 3.234 86 V HA 0.674 4.794 4.120 -0.000 0.000 0.317 86 V C 0.892 177.078 176.094 0.153 0.000 1.147 86 V CA 0.183 62.540 62.300 0.095 0.000 1.037 86 V CB 1.724 33.575 31.823 0.048 0.000 1.148 86 V HN 0.785 nan 8.190 nan 0.000 0.455 87 S N -0.577 115.165 115.700 0.070 0.000 2.503 87 S HA 0.292 4.762 4.470 -0.000 0.000 0.215 87 S C 0.757 175.283 174.600 -0.123 0.000 1.003 87 S CA 0.421 58.666 58.200 0.075 0.000 0.910 87 S CB -0.435 62.785 63.200 0.034 0.000 0.790 87 S HN 1.798 nan 8.310 nan 0.000 0.514 88 S N -0.135 115.345 115.700 -0.366 0.000 2.607 88 S HA 0.617 5.087 4.470 -0.000 0.000 0.273 88 S C -2.953 171.229 174.600 -0.697 0.000 1.148 88 S CA -1.224 56.522 58.200 -0.757 0.000 0.833 88 S CB 1.296 64.277 63.200 -0.365 0.000 1.130 88 S HN -0.091 nan 8.310 nan 0.000 0.470 89 P HA 0.024 nan 4.420 nan 0.000 0.218 89 P C 1.592 178.762 177.300 -0.216 0.000 1.149 89 P CA 1.975 64.876 63.100 -0.331 0.000 0.817 89 P CB -0.206 31.337 31.700 -0.262 0.000 0.785 90 A N 0.166 122.865 122.820 -0.202 0.000 1.908 90 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 90 A C 1.952 179.474 177.584 -0.103 0.000 1.181 90 A CA 2.199 54.160 52.037 -0.128 0.000 0.627 90 A CB -1.509 17.427 19.000 -0.106 0.000 0.818 90 A HN 0.094 nan 8.150 nan 0.000 0.445 91 D N -0.456 119.873 120.400 -0.119 0.000 2.218 91 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 91 D C 1.988 178.257 176.300 -0.052 0.000 0.976 91 D CA 1.135 55.090 54.000 -0.075 0.000 0.853 91 D CB -0.304 40.453 40.800 -0.072 0.000 0.939 91 D HN 0.241 nan 8.370 nan 0.000 0.481 92 V N 1.189 121.064 119.914 -0.065 0.000 2.307 92 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 92 V C 2.488 178.559 176.094 -0.038 0.000 1.045 92 V CA 1.791 64.071 62.300 -0.034 0.000 1.024 92 V CB -0.805 31.001 31.823 -0.029 0.000 0.651 92 V HN 0.199 nan 8.190 nan 0.000 0.449 93 A N -0.761 122.024 122.820 -0.058 0.000 2.019 93 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 93 A C 2.248 179.815 177.584 -0.028 0.000 1.164 93 A CA 1.717 53.727 52.037 -0.045 0.000 0.644 93 A CB -0.489 18.478 19.000 -0.055 0.000 0.805 93 A HN 0.618 nan 8.150 nan 0.000 0.449 94 E N -0.422 119.760 120.200 -0.029 0.000 2.204 94 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 94 E C 1.354 177.949 176.600 -0.009 0.000 0.989 94 E CA 1.089 57.478 56.400 -0.018 0.000 0.824 94 E CB 0.021 29.708 29.700 -0.022 0.000 0.756 94 E HN 0.625 nan 8.360 nan 0.000 0.477 95 K N -1.252 119.144 120.400 -0.006 0.000 2.412 95 K HA 0.281 4.601 4.320 -0.000 0.000 0.202 95 K C -0.411 176.194 176.600 0.008 0.000 1.102 95 K CA 0.047 56.336 56.287 0.004 0.000 1.027 95 K CB 1.763 34.269 32.500 0.010 0.000 0.931 95 K HN -0.080 nan 8.250 nan 0.000 0.557 96 A N 0.617 123.437 122.820 0.001 0.000 2.356 96 A HA 0.491 4.811 4.320 -0.000 0.000 0.310 96 A C -0.072 177.509 177.584 -0.006 0.000 1.075 96 A CA -0.197 51.841 52.037 0.002 0.000 0.746 96 A CB 1.106 20.107 19.000 0.002 0.000 1.221 96 A HN 0.210 nan 8.150 nan 0.000 0.443 97 D N 1.305 121.703 120.400 -0.002 0.000 2.339 97 D HA 0.367 5.007 4.640 -0.000 0.000 0.217 97 D C 0.496 176.786 176.300 -0.017 0.000 1.050 97 D CA 0.507 54.503 54.000 -0.005 0.000 0.856 97 D CB 0.069 40.870 40.800 0.001 0.000 0.922 97 D HN 0.514 nan 8.370 nan 0.000 0.518 98 R N -0.809 119.673 120.500 -0.030 0.000 2.532 98 R HA 0.737 5.077 4.340 -0.000 0.000 0.297 98 R C -1.239 175.015 176.300 -0.075 0.000 0.984 98 R CA -0.310 55.754 56.100 -0.061 0.000 0.884 98 R CB 2.021 32.269 30.300 -0.087 0.000 1.182 98 R HN 0.224 nan 8.270 nan 0.000 0.442 99 I N 3.629 124.143 120.570 -0.093 0.000 2.582 99 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 99 I C -0.636 175.366 176.117 -0.191 0.000 1.066 99 I CA -0.817 60.408 61.300 -0.125 0.000 1.053 99 I CB 2.182 40.116 38.000 -0.110 0.000 1.241 99 I HN 0.412 nan 8.210 nan 0.000 0.421 100 I N 4.328 124.704 120.570 -0.323 0.000 2.378 100 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 100 I C -0.030 175.727 176.117 -0.601 0.000 0.992 100 I CA -0.322 60.684 61.300 -0.491 0.000 1.154 100 I CB 2.096 39.674 38.000 -0.704 0.000 1.315 100 I HN 0.578 nan 8.210 nan 0.000 0.448 101 T N 3.382 117.732 114.554 -0.340 0.000 2.823 101 T HA 0.707 5.057 4.350 -0.000 0.000 0.279 101 T C -0.502 174.110 174.700 -0.147 0.000 0.998 101 T CA -0.720 61.252 62.100 -0.213 0.000 0.994 101 T CB 1.795 70.658 68.868 -0.010 0.000 0.960 101 T HN 0.403 nan 8.240 nan 0.000 0.448 102 M N 4.157 123.706 119.600 -0.084 0.000 1.996 102 M HA 0.557 5.037 4.480 -0.000 0.000 0.268 102 M C -2.208 174.127 176.300 0.058 0.000 0.888 102 M CA -1.096 54.219 55.300 0.024 0.000 0.939 102 M CB 0.032 32.709 32.600 0.129 0.000 1.736 102 M HN 0.721 nan 8.290 nan 0.000 0.407 103 L N 5.319 126.574 121.223 0.053 0.000 2.341 103 L HA 0.701 5.041 4.340 -0.000 0.000 0.267 103 L C -1.657 175.234 176.870 0.035 0.000 1.009 103 L CA -1.675 53.194 54.840 0.048 0.000 0.819 103 L CB 1.907 44.007 42.059 0.069 0.000 1.323 103 L HN 0.378 nan 8.230 nan 0.000 0.425 104 P HA 0.039 nan 4.420 nan 0.000 0.225 104 P C -0.197 177.108 177.300 0.009 0.000 1.156 104 P CA 0.813 63.916 63.100 0.005 0.000 0.787 104 P CB 0.359 32.050 31.700 -0.016 0.000 0.802 105 T N -2.638 111.927 114.554 0.019 0.000 2.843 105 T HA 0.226 4.576 4.350 -0.000 0.000 0.302 105 T C 0.916 175.632 174.700 0.028 0.000 1.232 105 T CA -0.439 61.671 62.100 0.017 0.000 1.009 105 T CB 1.528 70.403 68.868 0.012 0.000 1.254 105 T HN -0.390 nan 8.240 nan 0.000 0.504 106 S N 0.751 116.462 115.700 0.018 0.000 2.359 106 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 106 S C 2.201 176.817 174.600 0.026 0.000 1.035 106 S CA 1.920 60.131 58.200 0.017 0.000 1.018 106 S CB -0.682 62.518 63.200 0.001 0.000 0.876 106 S HN 0.713 nan 8.310 nan 0.000 0.448 107 I N 1.133 121.718 120.570 0.025 0.000 2.179 107 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 107 I C 1.775 177.921 176.117 0.048 0.000 1.088 107 I CA 1.741 63.059 61.300 0.030 0.000 1.357 107 I CB -0.886 37.129 38.000 0.025 0.000 1.051 107 I HN 0.135 nan 8.210 nan 0.000 0.409 108 N N 1.632 120.363 118.700 0.051 0.000 2.149 108 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 108 N C 2.021 177.590 175.510 0.099 0.000 1.019 108 N CA 1.607 54.697 53.050 0.067 0.000 0.857 108 N CB -0.324 38.195 38.487 0.054 0.000 0.997 108 N HN 0.520 nan 8.380 nan 0.000 0.426 109 A N 1.484 124.370 122.820 0.110 0.000 1.873 109 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 109 A C 2.194 179.921 177.584 0.239 0.000 1.186 109 A CA 1.246 53.394 52.037 0.186 0.000 0.616 109 A CB -0.888 18.200 19.000 0.148 0.000 0.823 109 A HN 0.470 nan 8.150 nan 0.000 0.442 110 I N -2.842 117.802 120.570 0.124 0.000 2.394 110 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 110 I C 1.999 178.186 176.117 0.115 0.000 1.136 110 I CA 1.953 63.312 61.300 0.098 0.000 1.425 110 I CB -0.634 37.379 38.000 0.020 0.000 1.079 110 I HN 0.271 nan 8.210 nan 0.000 0.425 111 E N 1.495 121.752 120.200 0.095 0.000 2.106 111 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 111 E C 2.379 179.021 176.600 0.070 0.000 0.984 111 E CA 1.269 57.713 56.400 0.073 0.000 0.806 111 E CB -0.399 29.341 29.700 0.066 0.000 0.750 111 E HN 0.772 nan 8.360 nan 0.000 0.458 112 A N -1.352 121.522 122.820 0.090 0.000 2.015 112 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 112 A C 1.957 179.471 177.584 -0.115 0.000 1.163 112 A CA 1.552 53.588 52.037 -0.002 0.000 0.646 112 A CB -0.533 18.464 19.000 -0.006 0.000 0.806 112 A HN 0.607 nan 8.150 nan 0.000 0.448 113 Y N -1.073 119.234 120.300 0.013 0.000 2.284 113 Y HA 0.059 4.609 4.550 -0.000 0.000 0.293 113 Y C 2.601 178.490 175.900 -0.018 0.000 1.140 113 Y CA 1.415 59.515 58.100 0.001 0.000 1.153 113 Y CB 0.123 38.580 38.460 -0.006 0.000 1.114 113 Y HN 0.195 nan 8.280 nan 0.000 0.521 114 S N -0.329 115.457 115.700 0.144 0.000 2.556 114 S HA 0.193 4.663 4.470 -0.000 0.000 0.216 114 S C 1.053 175.672 174.600 0.033 0.000 0.970 114 S CA 0.161 58.399 58.200 0.063 0.000 0.912 114 S CB -0.275 62.946 63.200 0.036 0.000 0.790 114 S HN 0.411 nan 8.310 nan 0.000 0.504 115 G N 0.860 109.679 108.800 0.031 0.000 2.712 115 G HA2 0.414 4.374 3.960 -0.000 0.000 0.258 115 G HA3 0.414 4.374 3.960 -0.000 0.000 0.258 115 G C 1.124 176.022 174.900 -0.003 0.000 1.241 115 G CA -0.007 45.102 45.100 0.014 0.000 0.923 115 G HN 0.291 nan 8.290 nan 0.000 0.548 116 A N -0.162 122.654 122.820 -0.006 0.000 1.978 116 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 116 A C 1.659 179.226 177.584 -0.029 0.000 1.170 116 A CA 1.412 53.442 52.037 -0.013 0.000 0.636 116 A CB -0.123 18.872 19.000 -0.008 0.000 0.810 116 A HN 0.522 nan 8.150 nan 0.000 0.448 117 N N -0.256 118.417 118.700 -0.046 0.000 2.480 117 N HA 0.199 4.939 4.740 -0.000 0.000 0.281 117 N C 0.355 175.800 175.510 -0.109 0.000 1.381 117 N CA 0.461 53.464 53.050 -0.080 0.000 0.903 117 N CB 0.758 39.184 38.487 -0.102 0.000 1.274 117 N HN 0.368 nan 8.380 nan 0.000 0.505 118 G N 0.151 108.907 108.800 -0.073 0.000 2.599 118 G HA2 0.290 4.250 3.960 -0.000 0.000 0.264 118 G HA3 0.290 4.250 3.960 -0.000 0.000 0.264 118 G C 1.403 176.245 174.900 -0.096 0.000 1.200 118 G CA -0.546 44.505 45.100 -0.082 0.000 0.896 118 G HN 0.125 nan 8.290 nan 0.000 0.536 119 I N -0.209 120.275 120.570 -0.144 0.000 2.185 119 I HA -0.249 3.921 4.170 -0.000 0.000 0.246 119 I C 2.508 178.598 176.117 -0.044 0.000 1.088 119 I CA 1.164 62.382 61.300 -0.137 0.000 1.347 119 I CB -0.181 37.664 38.000 -0.258 0.000 1.041 119 I HN 0.353 nan 8.210 nan 0.000 0.415 120 L N 0.185 121.408 121.223 0.000 0.000 2.275 120 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 120 L C 2.404 179.276 176.870 0.004 0.000 1.119 120 L CA 0.684 55.541 54.840 0.029 0.000 0.790 120 L CB -0.555 41.539 42.059 0.058 0.000 0.919 120 L HN 0.179 nan 8.230 nan 0.000 0.443 121 K N 0.726 121.118 120.400 -0.013 0.000 2.209 121 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 121 K C 1.273 177.861 176.600 -0.019 0.000 1.048 121 K CA 1.257 57.533 56.287 -0.018 0.000 0.940 121 K CB 0.011 32.492 32.500 -0.030 0.000 0.729 121 K HN 0.354 nan 8.250 nan 0.000 0.451 122 K N 0.145 120.531 120.400 -0.023 0.000 2.562 122 K HA 0.125 4.445 4.320 -0.000 0.000 0.201 122 K C -0.417 176.174 176.600 -0.015 0.000 1.131 122 K CA -0.130 56.145 56.287 -0.022 0.000 1.059 122 K CB 1.535 34.016 32.500 -0.033 0.000 0.913 122 K HN -0.169 nan 8.250 nan 0.000 0.563 123 V N 2.732 122.642 119.914 -0.007 0.000 2.585 123 V HA 0.036 4.156 4.120 -0.000 0.000 0.296 123 V C -0.176 175.923 176.094 0.008 0.000 1.035 123 V CA 0.226 62.528 62.300 0.004 0.000 1.084 123 V CB 0.408 32.246 31.823 0.026 0.000 0.953 123 V HN 0.127 nan 8.190 nan 0.000 0.483 124 K N 5.618 126.022 120.400 0.007 0.000 2.098 124 K HA 0.385 4.705 4.320 -0.000 0.000 0.261 124 K C -0.186 176.422 176.600 0.013 0.000 0.987 124 K CA -0.739 55.553 56.287 0.008 0.000 0.916 124 K CB 1.172 33.675 32.500 0.004 0.000 1.039 124 K HN 0.628 nan 8.250 nan 0.000 0.455 125 K N 0.079 120.486 120.400 0.011 0.000 2.485 125 K HA -0.028 4.292 4.320 -0.000 0.000 0.277 125 K C 0.894 177.501 176.600 0.013 0.000 0.990 125 K CA 1.026 57.321 56.287 0.013 0.000 0.994 125 K CB 0.247 32.753 32.500 0.010 0.000 0.906 125 K HN 0.929 nan 8.250 nan 0.000 0.488 126 G N 1.605 110.414 108.800 0.016 0.000 2.162 126 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 126 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 126 G C 0.096 175.003 174.900 0.012 0.000 0.976 126 G CA 0.263 45.371 45.100 0.013 0.000 0.655 126 G HN 0.537 nan 8.290 nan 0.000 0.533 127 S N -0.321 115.389 115.700 0.017 0.000 2.562 127 S HA 0.474 4.944 4.470 -0.000 0.000 0.281 127 S C 0.168 174.778 174.600 0.017 0.000 1.333 127 S CA -0.115 58.093 58.200 0.014 0.000 1.052 127 S CB 1.475 64.686 63.200 0.018 0.000 0.884 127 S HN 0.856 nan 8.310 nan 0.000 0.506 128 L N 5.067 126.288 121.223 -0.003 0.000 2.265 128 L HA 0.527 4.867 4.340 -0.000 0.000 0.289 128 L C -1.278 175.577 176.870 -0.025 0.000 1.033 128 L CA 0.039 54.868 54.840 -0.020 0.000 0.814 128 L CB 0.180 42.208 42.059 -0.053 0.000 1.203 128 L HN 0.529 nan 8.230 nan 0.000 0.423 129 L N 6.886 128.108 121.223 -0.001 0.000 2.325 129 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 129 L C -0.695 176.086 176.870 -0.148 0.000 1.004 129 L CA -0.479 54.375 54.840 0.023 0.000 0.823 129 L CB 1.574 43.790 42.059 0.261 0.000 1.236 129 L HN 0.523 nan 8.230 nan 0.000 0.415 130 I N 2.246 122.712 120.570 -0.172 0.000 2.382 130 I HA 0.247 4.417 4.170 -0.000 0.000 0.286 130 I C -0.756 175.238 176.117 -0.205 0.000 1.002 130 I CA -0.340 60.794 61.300 -0.275 0.000 1.135 130 I CB 2.061 39.928 38.000 -0.221 0.000 1.288 130 I HN 0.511 nan 8.210 nan 0.000 0.448 131 D N 3.768 123.992 120.400 -0.293 0.000 2.373 131 D HA 0.273 4.913 4.640 -0.000 0.000 0.227 131 D C 0.355 176.630 176.300 -0.042 0.000 1.091 131 D CA -0.036 53.928 54.000 -0.061 0.000 0.840 131 D CB 1.392 42.252 40.800 0.100 0.000 1.060 131 D HN 0.333 nan 8.370 nan 0.000 0.502 132 S N 1.125 116.822 115.700 -0.006 0.000 2.556 132 S HA 0.086 4.556 4.470 -0.000 0.000 0.216 132 S C 0.454 175.063 174.600 0.016 0.000 0.970 132 S CA -0.416 57.802 58.200 0.030 0.000 0.912 132 S CB 0.159 63.413 63.200 0.090 0.000 0.790 132 S HN 0.451 nan 8.310 nan 0.000 0.504 133 S N 2.509 118.229 115.700 0.033 0.000 2.558 133 S HA 0.069 4.539 4.470 -0.000 0.000 0.287 133 S C 0.369 174.979 174.600 0.016 0.000 1.321 133 S CA 0.235 58.456 58.200 0.036 0.000 1.048 133 S CB 0.437 63.677 63.200 0.067 0.000 0.844 133 S HN 0.269 nan 8.310 nan 0.000 0.512 134 T N 4.009 118.565 114.554 0.003 0.000 2.738 134 T HA 0.547 4.897 4.350 -0.000 0.000 0.298 134 T C 0.246 174.943 174.700 -0.005 0.000 0.962 134 T CA -0.360 61.732 62.100 -0.013 0.000 0.972 134 T CB -0.663 68.188 68.868 -0.029 0.000 0.928 134 T HN 0.569 nan 8.240 nan 0.000 0.474 135 I N -0.796 119.771 120.570 -0.004 0.000 3.279 135 I HA 0.586 4.756 4.170 -0.000 0.000 0.315 135 I C -0.725 175.382 176.117 -0.018 0.000 1.187 135 I CA -1.330 59.967 61.300 -0.004 0.000 0.953 135 I CB 1.848 39.855 38.000 0.013 0.000 1.279 135 I HN 0.233 nan 8.210 nan 0.000 0.465 136 D N 3.066 123.451 120.400 -0.024 0.000 2.531 136 D HA 0.077 4.717 4.640 -0.000 0.000 0.239 136 D C -1.744 174.538 176.300 -0.030 0.000 1.144 136 D CA -0.844 53.136 54.000 -0.032 0.000 0.869 136 D CB 1.650 42.430 40.800 -0.034 0.000 1.160 136 D HN 0.332 nan 8.370 nan 0.000 0.484 137 P HA -0.167 nan 4.420 nan 0.000 0.216 137 P C 0.926 178.205 177.300 -0.034 0.000 1.153 137 P CA 1.558 64.641 63.100 -0.029 0.000 0.858 137 P CB 0.136 31.814 31.700 -0.037 0.000 0.789 138 A N -0.805 121.990 122.820 -0.042 0.000 1.972 138 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 138 A C 2.273 179.816 177.584 -0.069 0.000 1.169 138 A CA 1.710 53.717 52.037 -0.050 0.000 0.635 138 A CB -1.639 17.335 19.000 -0.044 0.000 0.810 138 A HN 0.057 nan 8.150 nan 0.000 0.446 139 V N -0.414 119.459 119.914 -0.068 0.000 2.358 139 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 139 V C 2.711 178.712 176.094 -0.155 0.000 1.047 139 V CA 2.135 64.377 62.300 -0.096 0.000 1.035 139 V CB -0.907 30.875 31.823 -0.068 0.000 0.658 139 V HN 0.530 nan 8.190 nan 0.000 0.452 140 S N -0.262 115.379 115.700 -0.098 0.000 2.370 140 S HA -0.261 4.209 4.470 -0.000 0.000 0.226 140 S C 2.025 176.506 174.600 -0.199 0.000 1.033 140 S CA 1.823 59.974 58.200 -0.081 0.000 1.011 140 S CB -0.286 62.980 63.200 0.110 0.000 0.852 140 S HN 0.600 nan 8.310 nan 0.000 0.457 141 K N 1.015 121.345 120.400 -0.117 0.000 2.026 141 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 141 K C 2.492 178.985 176.600 -0.179 0.000 1.048 141 K CA 1.390 57.609 56.287 -0.112 0.000 0.929 141 K CB -0.219 32.240 32.500 -0.067 0.000 0.713 141 K HN 0.169 nan 8.250 nan 0.000 0.439 142 E N 1.047 121.136 120.200 -0.184 0.000 2.058 142 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 142 E C 2.028 178.459 176.600 -0.282 0.000 0.997 142 E CA 1.086 57.374 56.400 -0.186 0.000 0.801 142 E CB -0.476 29.136 29.700 -0.146 0.000 0.746 142 E HN 0.302 nan 8.360 nan 0.000 0.450 143 L N -0.156 120.793 121.223 -0.457 0.000 2.017 143 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 143 L C 2.814 179.217 176.870 -0.778 0.000 1.073 143 L CA 1.383 55.792 54.840 -0.717 0.000 0.745 143 L CB -0.678 40.663 42.059 -1.197 0.000 0.894 143 L HN 0.313 nan 8.230 nan 0.000 0.432 144 A N 0.089 122.426 122.820 -0.806 0.000 1.908 144 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 144 A C 2.277 179.759 177.584 -0.171 0.000 1.181 144 A CA 2.006 53.811 52.037 -0.386 0.000 0.627 144 A CB -0.407 18.539 19.000 -0.091 0.000 0.818 144 A HN 0.251 nan 8.150 nan 0.000 0.445 145 K N -0.326 119.976 120.400 -0.163 0.000 2.063 145 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 145 K C 2.215 178.764 176.600 -0.086 0.000 1.048 145 K CA 1.683 57.912 56.287 -0.096 0.000 0.928 145 K CB -0.200 32.245 32.500 -0.091 0.000 0.713 145 K HN 0.468 nan 8.250 nan 0.000 0.442 146 E N -0.376 119.751 120.200 -0.123 0.000 2.072 146 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 146 E C 2.083 178.656 176.600 -0.045 0.000 0.982 146 E CA 1.150 57.500 56.400 -0.083 0.000 0.803 146 E CB -0.517 29.124 29.700 -0.099 0.000 0.755 146 E HN 0.167 nan 8.360 nan 0.000 0.453 147 V N 1.074 120.955 119.914 -0.056 0.000 2.490 147 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 147 V C 2.267 178.382 176.094 0.036 0.000 1.061 147 V CA 2.071 64.389 62.300 0.030 0.000 1.064 147 V CB -0.578 31.303 31.823 0.097 0.000 0.670 147 V HN 0.387 nan 8.190 nan 0.000 0.461 148 E N -0.163 120.045 120.200 0.013 0.000 2.106 148 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 148 E C 2.284 178.890 176.600 0.009 0.000 0.984 148 E CA 0.894 57.305 56.400 0.018 0.000 0.806 148 E CB -0.130 29.577 29.700 0.010 0.000 0.750 148 E HN 0.535 nan 8.360 nan 0.000 0.458 149 K N 0.012 120.411 120.400 -0.002 0.000 2.113 149 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 149 K C 1.481 178.084 176.600 0.005 0.000 1.047 149 K CA 1.026 57.312 56.287 -0.002 0.000 0.928 149 K CB -0.003 32.491 32.500 -0.009 0.000 0.716 149 K HN 0.153 nan 8.250 nan 0.000 0.446 150 M N -0.536 119.072 119.600 0.013 0.000 2.563 150 M HA 0.103 4.583 4.480 -0.000 0.000 0.231 150 M C 0.877 177.190 176.300 0.021 0.000 1.136 150 M CA 0.501 55.811 55.300 0.018 0.000 1.026 150 M CB -0.245 32.371 32.600 0.026 0.000 1.597 150 M HN 0.387 nan 8.290 nan 0.000 0.495 151 G N 0.925 109.737 108.800 0.020 0.000 2.160 151 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.251 151 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.251 151 G C 0.282 175.199 174.900 0.028 0.000 1.008 151 G CA 0.411 45.523 45.100 0.021 0.000 0.724 151 G HN 0.759 nan 8.290 nan 0.000 0.514 152 A N -1.467 121.378 122.820 0.042 0.000 2.312 152 A HA 0.944 5.264 4.320 -0.000 0.000 0.310 152 A C -0.155 177.473 177.584 0.073 0.000 1.139 152 A CA -0.199 51.871 52.037 0.055 0.000 0.886 152 A CB 1.852 20.894 19.000 0.070 0.000 1.350 152 A HN 1.154 nan 8.150 nan 0.000 0.479 153 V N 0.279 120.244 119.914 0.084 0.000 2.448 153 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 153 V C -1.127 175.054 176.094 0.145 0.000 1.025 153 V CA -0.179 62.177 62.300 0.094 0.000 0.859 153 V CB 1.079 32.931 31.823 0.048 0.000 0.988 153 V HN 0.708 nan 8.190 nan 0.000 0.431 154 F N 6.053 126.006 119.950 0.005 0.000 2.469 154 F HA 0.803 5.330 4.527 -0.000 0.000 0.332 154 F C -0.295 175.502 175.800 -0.003 0.000 1.103 154 F CA -0.645 57.349 58.000 -0.010 0.000 0.979 154 F CB 1.600 40.562 39.000 -0.064 0.000 1.137 154 F HN 0.366 nan 8.300 nan 0.000 0.463 155 M N 5.965 125.145 119.600 -0.700 0.000 2.327 155 M HA 0.252 4.732 4.480 -0.000 0.000 0.298 155 M C -1.500 174.383 176.300 -0.694 0.000 1.065 155 M CA -1.000 54.025 55.300 -0.458 0.000 0.916 155 M CB 2.088 34.584 32.600 -0.174 0.000 1.630 155 M HN 0.524 nan 8.290 nan 0.000 0.442 156 D N 2.376 122.582 120.400 -0.324 0.000 2.312 156 D HA 0.393 5.033 4.640 -0.000 0.000 0.252 156 D C -0.473 175.784 176.300 -0.071 0.000 1.150 156 D CA -0.384 53.518 54.000 -0.163 0.000 0.870 156 D CB 1.534 42.346 40.800 0.020 0.000 1.153 156 D HN 0.675 nan 8.370 nan 0.000 0.457 157 A N 3.690 126.490 122.820 -0.032 0.000 3.355 157 A HA 0.362 4.682 4.320 -0.000 0.000 0.290 157 A C -2.593 175.056 177.584 0.108 0.000 0.973 157 A CA -1.135 50.959 52.037 0.096 0.000 0.933 157 A CB 0.530 19.629 19.000 0.165 0.000 1.138 157 A HN 0.424 nan 8.150 nan 0.000 0.490 158 P HA 0.280 nan 4.420 nan 0.000 0.269 158 P C 0.117 177.336 177.300 -0.136 0.000 1.215 158 P CA 0.341 63.412 63.100 -0.049 0.000 0.780 158 P CB 1.241 32.906 31.700 -0.058 0.000 0.898 159 V N -1.349 118.431 119.914 -0.224 0.000 2.715 159 V HA 0.680 4.800 4.120 -0.000 0.000 0.310 159 V C -0.137 175.780 176.094 -0.295 0.000 1.054 159 V CA -0.741 61.334 62.300 -0.375 0.000 0.928 159 V CB 1.749 33.244 31.823 -0.546 0.000 1.007 159 V HN 0.437 nan 8.190 nan 0.000 0.437 160 S N 1.696 117.210 115.700 -0.311 0.000 2.472 160 S HA 0.889 5.359 4.470 -0.000 0.000 0.303 160 S C 0.756 175.191 174.600 -0.274 0.000 1.099 160 S CA 0.401 58.412 58.200 -0.315 0.000 1.077 160 S CB 1.318 64.329 63.200 -0.315 0.000 1.031 160 S HN 1.780 nan 8.310 nan 0.000 0.487 161 G N 1.507 110.150 108.800 -0.262 0.000 3.382 161 G HA2 0.353 4.313 3.960 -0.000 0.000 0.214 161 G HA3 0.353 4.313 3.960 -0.000 0.000 0.214 161 G C 0.508 175.357 174.900 -0.084 0.000 1.025 161 G CA 0.245 45.249 45.100 -0.160 0.000 0.869 161 G HN 1.675 nan 8.290 nan 0.000 0.458 162 G N -1.083 107.670 108.800 -0.079 0.000 2.760 162 G HA2 0.073 4.033 3.960 -0.000 0.000 0.246 162 G HA3 0.073 4.033 3.960 -0.000 0.000 0.246 162 G C 0.914 175.841 174.900 0.044 0.000 1.359 162 G CA 0.200 45.313 45.100 0.022 0.000 0.861 162 G HN 1.213 nan 8.290 nan 0.000 0.541 163 V N 1.406 121.369 119.914 0.082 0.000 2.515 163 V HA 0.019 4.139 4.120 -0.000 0.000 0.250 163 V C 3.106 179.240 176.094 0.067 0.000 1.058 163 V CA 3.208 65.552 62.300 0.073 0.000 1.064 163 V CB -1.198 30.674 31.823 0.082 0.000 0.675 163 V HN 1.496 nan 8.190 nan 0.000 0.461 164 G N -0.007 108.841 108.800 0.079 0.000 2.433 164 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 164 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 164 G C 1.770 176.708 174.900 0.063 0.000 1.186 164 G CA 1.000 46.145 45.100 0.075 0.000 0.779 164 G HN 0.595 nan 8.290 nan 0.000 0.543 165 A N 1.051 123.903 122.820 0.054 0.000 1.933 165 A HA 0.301 4.621 4.320 -0.000 0.000 0.218 165 A C 2.785 180.390 177.584 0.034 0.000 1.175 165 A CA 2.148 54.207 52.037 0.037 0.000 0.628 165 A CB -0.696 18.309 19.000 0.008 0.000 0.814 165 A HN 0.781 nan 8.150 nan 0.000 0.444 166 A N -0.007 122.830 122.820 0.029 0.000 1.902 166 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 166 A C 2.258 179.880 177.584 0.063 0.000 1.181 166 A CA 1.552 53.614 52.037 0.041 0.000 0.623 166 A CB -0.407 18.616 19.000 0.038 0.000 0.818 166 A HN 0.574 nan 8.150 nan 0.000 0.443 167 R N 0.037 120.572 120.500 0.058 0.000 2.073 167 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 167 R C 2.493 178.831 176.300 0.062 0.000 1.120 167 R CA 1.560 57.694 56.100 0.057 0.000 0.967 167 R CB -0.366 29.963 30.300 0.049 0.000 0.862 167 R HN 0.674 nan 8.270 nan 0.000 0.436 168 S N -0.554 115.184 115.700 0.063 0.000 2.489 168 S HA 0.070 4.540 4.470 -0.000 0.000 0.228 168 S C 1.413 176.063 174.600 0.084 0.000 0.995 168 S CA 0.479 58.718 58.200 0.066 0.000 0.934 168 S CB 0.415 63.651 63.200 0.060 0.000 0.771 168 S HN 0.514 nan 8.310 nan 0.000 0.522 169 G N 1.701 110.557 108.800 0.094 0.000 2.149 169 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 169 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 169 G C 0.120 175.087 174.900 0.111 0.000 1.018 169 G CA 0.119 45.292 45.100 0.121 0.000 0.728 169 G HN 0.518 nan 8.290 nan 0.000 0.508 170 N N 0.038 118.786 118.700 0.080 0.000 2.328 170 N HA 0.220 4.960 4.740 -0.000 0.000 0.247 170 N C 0.958 176.487 175.510 0.032 0.000 1.165 170 N CA -0.101 52.988 53.050 0.066 0.000 0.873 170 N CB 0.397 38.919 38.487 0.059 0.000 1.125 170 N HN 0.483 nan 8.380 nan 0.000 0.513 171 L N 0.807 122.038 121.223 0.014 0.000 2.467 171 L HA 0.109 4.449 4.340 -0.000 0.000 0.270 171 L C 0.629 177.446 176.870 -0.088 0.000 1.205 171 L CA 0.462 55.235 54.840 -0.111 0.000 0.828 171 L CB 0.420 42.310 42.059 -0.281 0.000 1.101 171 L HN -0.065 nan 8.230 nan 0.000 0.479 172 T N 2.450 116.901 114.554 -0.172 0.000 2.749 172 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 172 T C -0.532 174.048 174.700 -0.199 0.000 0.970 172 T CA -0.208 61.836 62.100 -0.093 0.000 0.980 172 T CB 0.226 69.043 68.868 -0.085 0.000 0.924 172 T HN 0.091 nan 8.240 nan 0.000 0.456 173 F N 3.064 123.007 119.950 -0.012 0.000 2.415 173 F HA 0.508 5.035 4.527 -0.000 0.000 0.348 173 F C 0.502 176.306 175.800 0.007 0.000 1.119 173 F CA -0.992 57.003 58.000 -0.007 0.000 1.069 173 F CB 1.132 40.135 39.000 0.006 0.000 1.124 173 F HN 0.280 nan 8.300 nan 0.000 0.472 174 M N 4.612 124.288 119.600 0.125 0.000 2.066 174 M HA 0.451 4.931 4.480 -0.000 0.000 0.340 174 M C -1.214 175.127 176.300 0.068 0.000 1.053 174 M CA -0.533 54.802 55.300 0.058 0.000 0.983 174 M CB 1.390 33.970 32.600 -0.032 0.000 1.520 174 M HN 0.178 nan 8.290 nan 0.000 0.428 175 V N 2.647 122.614 119.914 0.088 0.000 2.384 175 V HA 0.766 4.886 4.120 -0.000 0.000 0.287 175 V C 0.428 176.506 176.094 -0.026 0.000 1.020 175 V CA -0.716 61.655 62.300 0.119 0.000 0.850 175 V CB 1.391 33.428 31.823 0.355 0.000 0.987 175 V HN 0.955 nan 8.190 nan 0.000 0.436 176 G N 2.180 110.959 108.800 -0.036 0.000 2.417 176 G HA2 0.850 4.810 3.960 -0.000 0.000 0.334 176 G HA3 0.850 4.810 3.960 -0.000 0.000 0.334 176 G C -0.085 174.843 174.900 0.047 0.000 1.150 176 G CA -0.107 44.939 45.100 -0.090 0.000 0.923 176 G HN 1.347 nan 8.290 nan 0.000 0.485 177 G N -1.402 107.459 108.800 0.101 0.000 2.357 177 G HA2 0.359 4.319 3.960 -0.000 0.000 0.289 177 G HA3 0.359 4.319 3.960 -0.000 0.000 0.289 177 G C -1.002 174.048 174.900 0.250 0.000 1.302 177 G CA -0.343 44.858 45.100 0.169 0.000 0.936 177 G HN 1.168 nan 8.290 nan 0.000 0.513 178 V N 1.101 121.115 119.914 0.167 0.000 2.529 178 V HA 0.161 4.281 4.120 -0.000 0.000 0.292 178 V C 1.817 177.964 176.094 0.088 0.000 1.028 178 V CA 1.328 63.703 62.300 0.124 0.000 1.074 178 V CB 1.185 33.050 31.823 0.070 0.000 0.958 178 V HN 0.936 nan 8.190 nan 0.000 0.481 179 E N 2.887 123.082 120.200 -0.008 0.000 2.160 179 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 179 E C 1.269 177.763 176.600 -0.177 0.000 0.991 179 E CA 1.544 57.738 56.400 -0.343 0.000 0.810 179 E CB 0.143 29.622 29.700 -0.369 0.000 0.742 179 E HN 0.871 nan 8.360 nan 0.000 0.466 180 D N 0.559 120.917 120.400 -0.070 0.000 2.182 180 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 180 D C 1.362 177.652 176.300 -0.018 0.000 0.986 180 D CA 0.947 54.925 54.000 -0.037 0.000 0.847 180 D CB -0.035 40.755 40.800 -0.018 0.000 0.942 180 D HN 0.269 nan 8.370 nan 0.000 0.467 181 E N -0.736 119.466 120.200 0.003 0.000 2.474 181 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 181 E C 1.577 178.184 176.600 0.012 0.000 1.041 181 E CA -0.203 56.200 56.400 0.005 0.000 0.874 181 E CB -0.136 29.575 29.700 0.019 0.000 0.914 181 E HN 0.330 nan 8.360 nan 0.000 0.498 182 F N 2.390 122.260 119.950 -0.133 0.000 2.102 182 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 182 F C 2.218 177.953 175.800 -0.109 0.000 1.105 182 F CA 1.459 59.382 58.000 -0.129 0.000 1.239 182 F CB -0.260 38.577 39.000 -0.273 0.000 0.991 182 F HN 0.003 nan 8.300 nan 0.000 0.474 183 A N 0.552 123.252 122.820 -0.199 0.000 1.908 183 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 183 A C 2.439 179.866 177.584 -0.261 0.000 1.181 183 A CA 1.967 53.846 52.037 -0.263 0.000 0.627 183 A CB -1.602 17.342 19.000 -0.094 0.000 0.818 183 A HN 0.537 nan 8.150 nan 0.000 0.445 184 A N -0.137 122.574 122.820 -0.181 0.000 1.877 184 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 184 A C 2.542 179.998 177.584 -0.213 0.000 1.186 184 A CA 2.179 54.125 52.037 -0.153 0.000 0.620 184 A CB -1.128 17.814 19.000 -0.098 0.000 0.822 184 A HN 1.104 nan 8.150 nan 0.000 0.443 185 A N -0.867 121.801 122.820 -0.253 0.000 1.908 185 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 185 A C 2.199 179.536 177.584 -0.411 0.000 1.181 185 A CA 1.947 53.806 52.037 -0.297 0.000 0.627 185 A CB -0.667 18.191 19.000 -0.237 0.000 0.818 185 A HN 0.662 nan 8.150 nan 0.000 0.445 186 Q N -0.510 118.952 119.800 -0.562 0.000 2.181 186 Q HA -0.224 4.116 4.340 -0.000 0.000 0.205 186 Q C 1.895 177.677 176.000 -0.363 0.000 0.980 186 Q CA 1.702 57.162 55.803 -0.573 0.000 0.862 186 Q CB -0.138 28.132 28.738 -0.780 0.000 0.905 186 Q HN 0.794 nan 8.270 nan 0.000 0.429 187 E N -0.047 119.984 120.200 -0.281 0.000 2.077 187 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 187 E C 2.008 178.494 176.600 -0.190 0.000 0.989 187 E CA 1.155 57.452 56.400 -0.172 0.000 0.800 187 E CB 0.003 29.645 29.700 -0.097 0.000 0.746 187 E HN 0.405 nan 8.360 nan 0.000 0.452 188 L N 0.336 121.391 121.223 -0.281 0.000 2.049 188 L HA -0.136 4.204 4.340 -0.000 0.000 0.203 188 L C 2.416 179.050 176.870 -0.392 0.000 1.074 188 L CA 0.745 55.362 54.840 -0.372 0.000 0.749 188 L CB -0.282 41.545 42.059 -0.387 0.000 0.907 188 L HN 0.149 nan 8.230 nan 0.000 0.439 189 L N -0.510 120.411 121.223 -0.504 0.000 2.141 189 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 189 L C 2.584 179.133 176.870 -0.536 0.000 1.094 189 L CA 1.114 55.465 54.840 -0.815 0.000 0.763 189 L CB -1.188 40.130 42.059 -1.235 0.000 0.908 189 L HN 0.320 nan 8.230 nan 0.000 0.437 190 G N -0.708 107.883 108.800 -0.348 0.000 2.498 190 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 190 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 190 G C 1.437 176.221 174.900 -0.192 0.000 1.119 190 G CA 0.760 45.746 45.100 -0.190 0.000 0.766 190 G HN 0.446 nan 8.290 nan 0.000 0.552 191 C N -0.043 119.068 119.300 -0.315 0.000 2.481 191 C HA 0.295 4.755 4.460 -0.000 0.000 0.275 191 C C 2.492 177.423 174.990 -0.099 0.000 1.419 191 C CA 0.519 59.227 59.018 -0.518 0.000 1.773 191 C CB -0.581 26.847 27.740 -0.519 0.000 1.862 191 C HN 0.475 nan 8.230 nan 0.000 0.530 192 M N -0.487 119.128 119.600 0.025 0.000 2.304 192 M HA 0.250 4.730 4.480 -0.000 0.000 0.281 192 M C 0.816 177.320 176.300 0.340 0.000 1.014 192 M CA 0.280 55.710 55.300 0.217 0.000 1.054 192 M CB 0.609 33.407 32.600 0.329 0.000 1.551 192 M HN 0.364 nan 8.290 nan 0.000 0.548 193 G N -0.312 108.702 108.800 0.356 0.000 2.660 193 G HA2 0.427 4.387 3.960 -0.000 0.000 0.294 193 G HA3 0.427 4.387 3.960 -0.000 0.000 0.294 193 G C 0.167 175.185 174.900 0.198 0.000 1.369 193 G CA -0.408 44.909 45.100 0.361 0.000 0.912 193 G HN 0.126 nan 8.290 nan 0.000 0.479 194 S N -0.360 115.428 115.700 0.147 0.000 2.486 194 S HA 0.176 4.646 4.470 -0.000 0.000 0.220 194 S C 0.544 175.205 174.600 0.101 0.000 1.011 194 S CA 0.015 58.277 58.200 0.104 0.000 0.921 194 S CB 0.102 63.351 63.200 0.081 0.000 0.785 194 S HN 0.389 nan 8.310 nan 0.000 0.517 195 N N 1.082 119.859 118.700 0.127 0.000 2.346 195 N HA 0.512 5.252 4.740 -0.000 0.000 0.289 195 N C -1.879 173.751 175.510 0.200 0.000 1.027 195 N CA -0.323 52.803 53.050 0.126 0.000 0.864 195 N CB 2.440 40.977 38.487 0.084 0.000 1.370 195 N HN 0.021 nan 8.380 nan 0.000 0.481 196 V N 2.219 122.245 119.914 0.187 0.000 2.409 196 V HA 0.413 4.533 4.120 -0.000 0.000 0.290 196 V C -0.232 176.064 176.094 0.336 0.000 1.017 196 V CA -0.734 61.709 62.300 0.240 0.000 0.841 196 V CB 1.722 33.584 31.823 0.066 0.000 1.003 196 V HN 0.313 nan 8.190 nan 0.000 0.426 197 V N 4.825 124.920 119.914 0.301 0.000 2.448 197 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 197 V C -0.733 175.430 176.094 0.115 0.000 1.025 197 V CA -0.928 61.489 62.300 0.196 0.000 0.859 197 V CB 1.821 33.691 31.823 0.077 0.000 0.988 197 V HN 0.763 nan 8.190 nan 0.000 0.431 198 Y N 3.585 123.684 120.300 -0.334 0.000 2.480 198 Y HA 0.208 4.758 4.550 -0.000 0.000 0.341 198 Y C 0.981 176.713 175.900 -0.280 0.000 1.031 198 Y CA -0.253 57.495 58.100 -0.587 0.000 1.295 198 Y CB 0.932 38.622 38.460 -1.282 0.000 1.162 198 Y HN 0.740 nan 8.280 nan 0.000 0.523 199 C N 4.137 123.008 119.300 -0.714 0.000 2.912 199 C HA 0.615 5.075 4.460 -0.000 0.000 0.274 199 C C 1.166 175.774 174.990 -0.636 0.000 1.248 199 C CA 0.619 59.332 59.018 -0.509 0.000 1.694 199 C CB -1.129 26.440 27.740 -0.285 0.000 2.024 199 C HN 1.219 nan 8.230 nan 0.000 0.605 200 G N 0.340 108.415 108.800 -1.208 0.000 2.255 200 G HA2 0.370 4.330 3.960 -0.000 0.000 0.216 200 G HA3 0.370 4.330 3.960 -0.000 0.000 0.216 200 G C -0.402 174.227 174.900 -0.452 0.000 1.307 200 G CA -0.154 44.509 45.100 -0.728 0.000 1.162 200 G HN 0.636 nan 8.290 nan 0.000 0.494 201 A N -0.670 122.059 122.820 -0.152 0.000 2.346 201 A HA 0.616 4.936 4.320 -0.000 0.000 0.255 201 A C 1.137 178.698 177.584 -0.039 0.000 1.113 201 A CA 0.580 52.597 52.037 -0.033 0.000 0.798 201 A CB -0.013 18.982 19.000 -0.008 0.000 1.073 201 A HN 1.905 nan 8.150 nan 0.000 0.502 202 V N 0.715 120.645 119.914 0.026 0.000 2.644 202 V HA 0.339 4.459 4.120 -0.000 0.000 0.305 202 V C 1.694 177.800 176.094 0.020 0.000 1.053 202 V CA 1.889 64.223 62.300 0.058 0.000 1.186 202 V CB -0.213 31.686 31.823 0.126 0.000 0.895 202 V HN 2.010 nan 8.190 nan 0.000 0.490 203 G N 3.641 112.455 108.800 0.023 0.000 2.234 203 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.235 203 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.235 203 G C 0.933 175.807 174.900 -0.044 0.000 0.997 203 G CA 0.902 45.999 45.100 -0.005 0.000 0.623 203 G HN 1.088 nan 8.290 nan 0.000 0.514 204 T N -1.008 113.501 114.554 -0.076 0.000 2.951 204 T HA 0.253 4.603 4.350 -0.000 0.000 0.268 204 T C 2.452 177.083 174.700 -0.114 0.000 1.073 204 T CA 1.771 63.803 62.100 -0.114 0.000 1.134 204 T CB -0.499 68.262 68.868 -0.177 0.000 0.884 204 T HN 1.229 nan 8.240 nan 0.000 0.479 205 G N 1.437 110.178 108.800 -0.098 0.000 2.433 205 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 205 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 205 G C 1.722 176.583 174.900 -0.064 0.000 1.186 205 G CA 0.595 45.651 45.100 -0.073 0.000 0.779 205 G HN 0.401 nan 8.290 nan 0.000 0.543 206 Q N 0.696 120.467 119.800 -0.048 0.000 2.112 206 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 206 Q C 2.973 178.933 176.000 -0.066 0.000 0.987 206 Q CA 1.621 57.394 55.803 -0.049 0.000 0.858 206 Q CB -0.945 27.776 28.738 -0.029 0.000 0.905 206 Q HN 0.451 nan 8.270 nan 0.000 0.420 207 A N 1.285 124.065 122.820 -0.068 0.000 1.883 207 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 207 A C 2.402 179.935 177.584 -0.084 0.000 1.186 207 A CA 2.308 54.301 52.037 -0.073 0.000 0.624 207 A CB -0.879 18.078 19.000 -0.072 0.000 0.822 207 A HN 0.394 nan 8.150 nan 0.000 0.444 208 A N 0.048 122.813 122.820 -0.092 0.000 1.883 208 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 208 A C 2.091 179.608 177.584 -0.112 0.000 1.186 208 A CA 2.581 54.559 52.037 -0.100 0.000 0.624 208 A CB -0.491 18.448 19.000 -0.103 0.000 0.822 208 A HN 0.565 nan 8.150 nan 0.000 0.444 209 K N 0.117 120.448 120.400 -0.115 0.000 2.026 209 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 209 K C 1.619 178.133 176.600 -0.144 0.000 1.048 209 K CA 1.846 58.050 56.287 -0.139 0.000 0.929 209 K CB -0.544 31.880 32.500 -0.126 0.000 0.713 209 K HN 0.463 nan 8.250 nan 0.000 0.439 210 I N 0.371 120.871 120.570 -0.116 0.000 2.286 210 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 210 I C 2.118 178.169 176.117 -0.109 0.000 1.115 210 I CA 0.962 62.197 61.300 -0.110 0.000 1.392 210 I CB -0.215 37.731 38.000 -0.091 0.000 1.065 210 I HN 0.309 nan 8.210 nan 0.000 0.418 211 C N 0.134 119.374 119.300 -0.100 0.000 2.466 211 C HA -0.106 4.354 4.460 -0.000 0.000 0.278 211 C C 2.629 177.558 174.990 -0.102 0.000 1.288 211 C CA 1.110 60.076 59.018 -0.088 0.000 1.722 211 C CB -1.465 26.229 27.740 -0.076 0.000 2.017 211 C HN 0.579 nan 8.230 nan 0.000 0.488 212 N N 1.662 120.284 118.700 -0.130 0.000 2.069 212 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 212 N C 1.346 176.741 175.510 -0.190 0.000 1.031 212 N CA 1.849 54.801 53.050 -0.164 0.000 0.852 212 N CB -0.260 38.103 38.487 -0.205 0.000 1.018 212 N HN 0.368 nan 8.380 nan 0.000 0.423 213 N N -0.145 118.429 118.700 -0.210 0.000 2.244 213 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 213 N C 1.564 176.981 175.510 -0.154 0.000 1.016 213 N CA 0.650 53.558 53.050 -0.236 0.000 0.866 213 N CB -0.251 38.087 38.487 -0.249 0.000 0.980 213 N HN 0.413 nan 8.380 nan 0.000 0.430 214 M N -0.244 119.291 119.600 -0.108 0.000 2.086 214 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 214 M C 1.750 178.039 176.300 -0.019 0.000 1.067 214 M CA 1.252 56.520 55.300 -0.055 0.000 1.116 214 M CB -0.050 32.522 32.600 -0.048 0.000 1.348 214 M HN 0.138 nan 8.290 nan 0.000 0.407 215 L N 0.755 121.956 121.223 -0.035 0.000 2.046 215 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 215 L C 2.081 178.964 176.870 0.021 0.000 1.077 215 L CA 1.655 56.491 54.840 -0.006 0.000 0.747 215 L CB -1.048 40.994 42.059 -0.028 0.000 0.896 215 L HN 0.398 nan 8.230 nan 0.000 0.432 216 L N -0.732 120.475 121.223 -0.027 0.000 1.990 216 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 216 L C 2.493 179.457 176.870 0.156 0.000 1.072 216 L CA 1.925 56.776 54.840 0.018 0.000 0.755 216 L CB -0.613 41.347 42.059 -0.164 0.000 0.889 216 L HN 0.416 nan 8.230 nan 0.000 0.432 217 A N 0.130 123.011 122.820 0.101 0.000 1.883 217 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 217 A C 2.094 179.851 177.584 0.289 0.000 1.186 217 A CA 1.918 54.091 52.037 0.227 0.000 0.624 217 A CB -0.781 18.283 19.000 0.107 0.000 0.822 217 A HN 0.514 nan 8.150 nan 0.000 0.444 218 I N -0.107 120.573 120.570 0.183 0.000 2.163 218 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 218 I C 2.648 178.863 176.117 0.164 0.000 1.085 218 I CA 1.707 63.102 61.300 0.158 0.000 1.347 218 I CB -0.242 37.819 38.000 0.102 0.000 1.044 218 I HN 0.249 nan 8.210 nan 0.000 0.408 219 S N 0.125 115.924 115.700 0.166 0.000 2.387 219 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 219 S C 1.862 176.587 174.600 0.210 0.000 1.026 219 S CA 1.141 59.442 58.200 0.168 0.000 0.972 219 S CB -0.219 63.078 63.200 0.162 0.000 0.814 219 S HN 0.321 nan 8.310 nan 0.000 0.477 220 M N 2.069 121.842 119.600 0.288 0.000 2.117 220 M HA 0.059 4.539 4.480 -0.000 0.000 0.262 220 M C 1.655 178.102 176.300 0.245 0.000 1.065 220 M CA 1.502 56.989 55.300 0.311 0.000 1.114 220 M CB -0.671 32.213 32.600 0.473 0.000 1.361 220 M HN 0.248 nan 8.290 nan 0.000 0.408 221 I N -0.513 120.211 120.570 0.256 0.000 2.226 221 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 221 I C 2.400 178.599 176.117 0.136 0.000 1.100 221 I CA 1.291 62.694 61.300 0.173 0.000 1.374 221 I CB -1.307 36.786 38.000 0.155 0.000 1.057 221 I HN 0.486 nan 8.210 nan 0.000 0.413 222 G N 0.436 109.317 108.800 0.135 0.000 2.446 222 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 222 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 222 G C 1.661 176.623 174.900 0.103 0.000 1.168 222 G CA 1.529 46.692 45.100 0.106 0.000 0.771 222 G HN 0.293 nan 8.290 nan 0.000 0.551 223 T N 1.724 116.347 114.554 0.114 0.000 2.708 223 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 223 T C 2.825 177.587 174.700 0.102 0.000 1.037 223 T CA 1.648 63.803 62.100 0.092 0.000 1.146 223 T CB -0.458 68.464 68.868 0.089 0.000 0.865 223 T HN 0.388 nan 8.240 nan 0.000 0.435 224 A N 1.580 124.489 122.820 0.150 0.000 1.908 224 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 224 A C 2.226 179.964 177.584 0.256 0.000 1.181 224 A CA 1.779 53.976 52.037 0.266 0.000 0.627 224 A CB -0.582 18.578 19.000 0.268 0.000 0.818 224 A HN 0.581 nan 8.150 nan 0.000 0.445 225 E N -0.505 119.782 120.200 0.145 0.000 2.072 225 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 225 E C 2.347 179.004 176.600 0.095 0.000 0.985 225 E CA 0.908 57.365 56.400 0.096 0.000 0.801 225 E CB -0.260 29.478 29.700 0.064 0.000 0.750 225 E HN 0.623 nan 8.360 nan 0.000 0.452 226 A N 1.080 123.954 122.820 0.090 0.000 1.898 226 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 226 A C 2.142 179.772 177.584 0.077 0.000 1.181 226 A CA 1.116 53.194 52.037 0.069 0.000 0.620 226 A CB -0.242 18.791 19.000 0.056 0.000 0.819 226 A HN 0.108 nan 8.150 nan 0.000 0.442 227 M N -0.003 119.654 119.600 0.095 0.000 2.099 227 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 227 M C 2.080 178.501 176.300 0.202 0.000 1.067 227 M CA 1.484 56.835 55.300 0.085 0.000 1.124 227 M CB -1.682 30.894 32.600 -0.039 0.000 1.353 227 M HN 0.660 nan 8.290 nan 0.000 0.410 228 N N 0.758 119.656 118.700 0.330 0.000 2.084 228 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 228 N C 1.851 177.432 175.510 0.118 0.000 1.030 228 N CA 1.221 54.438 53.050 0.277 0.000 0.849 228 N CB 0.041 38.599 38.487 0.119 0.000 1.012 228 N HN 0.157 nan 8.380 nan 0.000 0.423 229 L N 1.354 122.626 121.223 0.082 0.000 2.012 229 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 229 L C 2.301 179.199 176.870 0.047 0.000 1.073 229 L CA 2.209 57.076 54.840 0.046 0.000 0.748 229 L CB -1.215 40.866 42.059 0.037 0.000 0.891 229 L HN 0.192 nan 8.230 nan 0.000 0.431 230 G N -0.196 108.637 108.800 0.056 0.000 2.446 230 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 230 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 230 G C 1.637 176.564 174.900 0.045 0.000 1.168 230 G CA 1.242 46.367 45.100 0.043 0.000 0.771 230 G HN 0.501 nan 8.290 nan 0.000 0.551 231 I N 0.223 120.835 120.570 0.070 0.000 2.226 231 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 231 I C 2.968 179.115 176.117 0.050 0.000 1.100 231 I CA 1.064 62.407 61.300 0.071 0.000 1.374 231 I CB -0.176 37.899 38.000 0.124 0.000 1.057 231 I HN 0.080 nan 8.210 nan 0.000 0.413 232 R N 0.366 120.893 120.500 0.045 0.000 2.189 232 R HA -0.018 4.322 4.340 -0.000 0.000 0.218 232 R C 2.008 178.318 176.300 0.016 0.000 1.074 232 R CA 0.834 56.948 56.100 0.022 0.000 0.991 232 R CB -0.154 30.152 30.300 0.010 0.000 0.883 232 R HN 0.368 nan 8.270 nan 0.000 0.457 233 L N -0.444 120.791 121.223 0.020 0.000 2.599 233 L HA 0.120 4.460 4.340 -0.000 0.000 0.230 233 L C 0.973 177.851 176.870 0.014 0.000 1.141 233 L CA 0.479 55.328 54.840 0.015 0.000 0.877 233 L CB 0.307 42.376 42.059 0.016 0.000 1.009 233 L HN 0.481 nan 8.230 nan 0.000 0.447 234 G N -0.073 108.738 108.800 0.017 0.000 2.144 234 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 234 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 234 G C 0.067 174.976 174.900 0.015 0.000 0.988 234 G CA -0.476 44.633 45.100 0.015 0.000 0.659 234 G HN 0.158 nan 8.290 nan 0.000 0.522 235 L N 1.161 122.394 121.223 0.017 0.000 2.350 235 L HA 0.388 4.728 4.340 -0.000 0.000 0.275 235 L C 0.559 177.437 176.870 0.014 0.000 1.099 235 L CA -0.810 54.039 54.840 0.014 0.000 0.808 235 L CB 0.906 42.973 42.059 0.013 0.000 1.149 235 L HN 0.153 nan 8.230 nan 0.000 0.442 236 D N 4.660 125.064 120.400 0.007 0.000 2.401 236 D HA 0.033 4.673 4.640 -0.000 0.000 0.254 236 D C -1.575 174.722 176.300 -0.005 0.000 1.192 236 D CA -1.331 52.670 54.000 0.002 0.000 0.885 236 D CB 1.703 42.501 40.800 -0.003 0.000 1.147 236 D HN 0.274 nan 8.370 nan 0.000 0.478 237 P HA -0.159 nan 4.420 nan 0.000 0.215 237 P C 1.140 178.411 177.300 -0.047 0.000 1.153 237 P CA 1.098 64.179 63.100 -0.033 0.000 0.853 237 P CB 0.417 32.087 31.700 -0.048 0.000 0.788 238 K N -0.581 119.794 120.400 -0.042 0.000 2.057 238 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 238 K C 2.247 178.827 176.600 -0.032 0.000 1.049 238 K CA 1.047 57.308 56.287 -0.043 0.000 0.931 238 K CB -0.742 31.736 32.500 -0.037 0.000 0.714 238 K HN 0.087 nan 8.250 nan 0.000 0.440 239 L N 1.008 122.218 121.223 -0.022 0.000 2.056 239 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 239 L C 2.137 178.998 176.870 -0.015 0.000 1.078 239 L CA 1.188 56.019 54.840 -0.016 0.000 0.749 239 L CB -0.309 41.745 42.059 -0.009 0.000 0.901 239 L HN 0.074 nan 8.230 nan 0.000 0.433 240 L N 0.116 121.330 121.223 -0.015 0.000 2.056 240 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 240 L C 2.547 179.405 176.870 -0.019 0.000 1.078 240 L CA 1.975 56.808 54.840 -0.012 0.000 0.749 240 L CB -1.056 40.999 42.059 -0.006 0.000 0.901 240 L HN 0.298 nan 8.230 nan 0.000 0.433 241 A N -0.499 122.300 122.820 -0.034 0.000 1.908 241 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 241 A C 2.463 180.030 177.584 -0.029 0.000 1.181 241 A CA 2.027 54.040 52.037 -0.041 0.000 0.627 241 A CB -0.689 18.273 19.000 -0.064 0.000 0.818 241 A HN 0.489 nan 8.150 nan 0.000 0.445 242 K N -0.300 120.084 120.400 -0.026 0.000 2.032 242 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 242 K C 1.900 178.494 176.600 -0.010 0.000 1.048 242 K CA 1.674 57.950 56.287 -0.018 0.000 0.927 242 K CB -0.313 32.177 32.500 -0.017 0.000 0.712 242 K HN 0.448 nan 8.250 nan 0.000 0.441 243 I N 1.669 122.235 120.570 -0.007 0.000 2.127 243 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 243 I C 2.466 178.584 176.117 0.002 0.000 1.075 243 I CA 1.274 62.574 61.300 -0.001 0.000 1.334 243 I CB -0.893 37.107 38.000 0.001 0.000 1.040 243 I HN 0.254 nan 8.210 nan 0.000 0.405 244 L N 0.615 121.839 121.223 0.001 0.000 2.042 244 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 244 L C 1.999 178.875 176.870 0.009 0.000 1.076 244 L CA 1.432 56.276 54.840 0.007 0.000 0.749 244 L CB -0.775 41.288 42.059 0.005 0.000 0.893 244 L HN 0.333 nan 8.230 nan 0.000 0.432 245 N N 0.213 118.913 118.700 0.001 0.000 2.515 245 N HA -0.077 4.663 4.740 -0.000 0.000 0.185 245 N C 1.507 177.020 175.510 0.006 0.000 1.109 245 N CA 0.910 53.961 53.050 0.002 0.000 0.903 245 N CB 0.096 38.577 38.487 -0.011 0.000 0.969 245 N HN 0.564 nan 8.380 nan 0.000 0.450 246 M N -3.103 116.500 119.600 0.006 0.000 2.346 246 M HA 0.382 4.862 4.480 -0.000 0.000 0.280 246 M C -0.060 176.247 176.300 0.011 0.000 1.075 246 M CA -0.183 55.121 55.300 0.008 0.000 0.989 246 M CB 0.710 33.313 32.600 0.004 0.000 1.447 246 M HN -0.282 nan 8.290 nan 0.000 0.511 247 S N 0.440 116.148 115.700 0.013 0.000 2.801 247 S HA 0.407 4.877 4.470 -0.000 0.000 0.312 247 S C 0.938 175.549 174.600 0.020 0.000 1.112 247 S CA -0.201 58.008 58.200 0.015 0.000 0.943 247 S CB 1.684 64.893 63.200 0.014 0.000 1.269 247 S HN 0.444 nan 8.310 nan 0.000 0.558 248 S N 0.166 115.878 115.700 0.020 0.000 2.515 248 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 248 S C 1.575 176.193 174.600 0.029 0.000 0.987 248 S CA 0.702 58.916 58.200 0.024 0.000 0.936 248 S CB -0.719 62.493 63.200 0.021 0.000 0.766 248 S HN 0.839 nan 8.310 nan 0.000 0.528 249 G N 1.469 110.287 108.800 0.029 0.000 2.712 249 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.212 249 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.212 249 G C 0.571 175.497 174.900 0.042 0.000 1.142 249 G CA -0.591 44.530 45.100 0.036 0.000 0.789 249 G HN 0.581 nan 8.290 nan 0.000 0.535 250 R N 0.249 120.772 120.500 0.038 0.000 2.537 250 R HA 0.239 4.579 4.340 -0.000 0.000 0.281 250 R C -0.267 176.073 176.300 0.066 0.000 0.988 250 R CA 0.575 56.702 56.100 0.044 0.000 1.077 250 R CB -0.305 30.017 30.300 0.037 0.000 0.932 250 R HN 0.311 nan 8.270 nan 0.000 0.409 251 C N 1.869 121.220 119.300 0.084 0.000 3.318 251 C HA 0.370 4.830 4.460 -0.000 0.000 0.322 251 C C 1.037 176.136 174.990 0.181 0.000 1.398 251 C CA -1.313 57.787 59.018 0.137 0.000 1.339 251 C CB 0.060 27.889 27.740 0.147 0.000 1.668 251 C HN 1.157 nan 8.230 nan 0.000 0.462 252 W N 1.671 122.998 121.300 0.045 0.000 2.318 252 W HA -0.095 4.565 4.660 -0.000 0.000 0.313 252 W C 2.264 178.841 176.519 0.096 0.000 1.221 252 W CA 2.724 60.102 57.345 0.056 0.000 1.266 252 W CB -0.369 29.108 29.460 0.029 0.000 1.150 252 W HN 0.765 nan 8.180 nan 0.000 0.496 253 S N -0.036 115.882 115.700 0.364 0.000 2.374 253 S HA -0.291 4.179 4.470 -0.000 0.000 0.227 253 S C 2.012 176.626 174.600 0.022 0.000 1.037 253 S CA 2.177 60.501 58.200 0.208 0.000 1.024 253 S CB -0.909 62.470 63.200 0.298 0.000 0.861 253 S HN 0.515 nan 8.310 nan 0.000 0.456 254 S N 1.784 117.501 115.700 0.027 0.000 2.439 254 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 254 S C 1.369 175.929 174.600 -0.067 0.000 1.029 254 S CA 1.006 59.195 58.200 -0.018 0.000 0.946 254 S CB -0.293 62.914 63.200 0.011 0.000 0.797 254 S HN 0.644 nan 8.310 nan 0.000 0.504 255 D N 0.194 120.549 120.400 -0.074 0.000 2.367 255 D HA 0.125 4.765 4.640 -0.000 0.000 0.207 255 D C 1.172 177.375 176.300 -0.162 0.000 1.034 255 D CA 0.642 54.589 54.000 -0.089 0.000 0.861 255 D CB -0.250 40.530 40.800 -0.034 0.000 0.943 255 D HN 0.403 nan 8.370 nan 0.000 0.515 256 T N -1.820 112.545 114.554 -0.314 0.000 2.969 256 T HA 0.124 4.474 4.350 -0.000 0.000 0.258 256 T C -0.389 174.031 174.700 -0.466 0.000 0.962 256 T CA -0.167 61.666 62.100 -0.446 0.000 0.903 256 T CB 0.499 68.950 68.868 -0.696 0.000 1.177 256 T HN 0.130 nan 8.240 nan 0.000 0.511 257 Y N 2.142 122.045 120.300 -0.662 0.000 2.810 257 Y HA 0.377 4.927 4.550 -0.000 0.000 0.255 257 Y C 0.135 175.860 175.900 -0.292 0.000 0.979 257 Y CA -0.983 56.798 58.100 -0.531 0.000 1.106 257 Y CB 0.263 38.207 38.460 -0.860 0.000 1.209 257 Y HN -0.002 nan 8.280 nan 0.000 0.646 258 N N 3.130 121.716 118.700 -0.189 0.000 2.411 258 N HA -0.016 4.724 4.740 -0.000 0.000 0.261 258 N C -1.866 173.551 175.510 -0.155 0.000 1.248 258 N CA -0.305 52.657 53.050 -0.148 0.000 0.885 258 N CB 1.302 39.694 38.487 -0.159 0.000 1.062 258 N HN 0.215 nan 8.380 nan 0.000 0.471 259 P HA -0.003 nan 4.420 nan 0.000 0.241 259 P C 0.023 177.242 177.300 -0.135 0.000 1.191 259 P CA 0.349 63.443 63.100 -0.012 0.000 0.771 259 P CB 0.354 32.088 31.700 0.058 0.000 0.929 260 V N 2.802 122.478 119.914 -0.397 0.000 2.406 260 V HA 0.245 4.365 4.120 -0.000 0.000 0.272 260 V C -2.229 173.717 176.094 -0.247 0.000 1.043 260 V CA -2.087 59.873 62.300 -0.567 0.000 0.915 260 V CB 0.796 32.185 31.823 -0.722 0.000 0.988 260 V HN -0.055 nan 8.190 nan 0.000 0.466 261 P HA 0.262 nan 4.420 nan 0.000 0.268 261 P C 0.993 178.234 177.300 -0.099 0.000 1.204 261 P CA 1.158 64.187 63.100 -0.119 0.000 0.768 261 P CB 0.764 32.437 31.700 -0.046 0.000 0.842 262 G N 1.268 110.002 108.800 -0.110 0.000 2.234 262 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.235 262 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.235 262 G C 0.939 175.784 174.900 -0.091 0.000 0.997 262 G CA 0.226 45.275 45.100 -0.085 0.000 0.623 262 G HN 0.400 nan 8.290 nan 0.000 0.514 263 V N 0.776 120.620 119.914 -0.117 0.000 2.346 263 V HA 0.334 4.454 4.120 -0.000 0.000 0.244 263 V C 1.539 177.568 176.094 -0.109 0.000 1.037 263 V CA 2.224 64.456 62.300 -0.113 0.000 1.029 263 V CB -0.152 31.587 31.823 -0.139 0.000 0.663 263 V HN 0.471 nan 8.190 nan 0.000 0.454 264 M N -0.294 119.228 119.600 -0.131 0.000 2.535 264 M HA 0.411 4.891 4.480 -0.000 0.000 0.314 264 M C -1.208 175.014 176.300 -0.129 0.000 1.153 264 M CA -0.607 54.617 55.300 -0.127 0.000 0.924 264 M CB 2.179 34.687 32.600 -0.153 0.000 1.710 264 M HN 0.077 nan 8.290 nan 0.000 0.451 265 D N 0.738 121.076 120.400 -0.104 0.000 2.329 265 D HA 0.352 4.992 4.640 -0.000 0.000 0.246 265 D C 1.055 177.290 176.300 -0.108 0.000 1.111 265 D CA 0.687 54.629 54.000 -0.097 0.000 0.941 265 D CB 1.235 41.994 40.800 -0.069 0.000 1.169 265 D HN 0.959 nan 8.370 nan 0.000 0.441 266 G N -0.441 108.298 108.800 -0.102 0.000 2.155 266 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 266 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 266 G C 0.294 175.114 174.900 -0.132 0.000 0.983 266 G CA 0.722 45.768 45.100 -0.090 0.000 0.676 266 G HN 0.630 nan 8.290 nan 0.000 0.528 267 V N -4.119 115.668 119.914 -0.212 0.000 2.815 267 V HA 0.844 4.964 4.120 -0.000 0.000 0.314 267 V C -0.934 174.950 176.094 -0.349 0.000 1.064 267 V CA -1.683 60.396 62.300 -0.369 0.000 0.952 267 V CB 1.890 33.424 31.823 -0.482 0.000 1.020 267 V HN -0.065 nan 8.190 nan 0.000 0.439 268 P HA -0.127 nan 4.420 nan 0.000 0.219 268 P C 1.824 178.875 177.300 -0.416 0.000 1.146 268 P CA 2.057 65.011 63.100 -0.243 0.000 0.808 268 P CB 0.064 31.726 31.700 -0.063 0.000 0.779 269 S N -0.728 114.663 115.700 -0.516 0.000 2.474 269 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 269 S C 1.920 176.210 174.600 -0.517 0.000 0.997 269 S CA 0.934 58.660 58.200 -0.789 0.000 0.949 269 S CB -1.126 61.843 63.200 -0.385 0.000 0.766 269 S HN 0.122 nan 8.310 nan 0.000 0.517 270 A N 2.685 125.299 122.820 -0.343 0.000 2.167 270 A HA 0.102 4.422 4.320 -0.000 0.000 0.214 270 A C 1.278 178.744 177.584 -0.197 0.000 1.151 270 A CA 0.722 52.623 52.037 -0.228 0.000 0.735 270 A CB -0.430 18.465 19.000 -0.174 0.000 0.802 270 A HN 0.880 nan 8.150 nan 0.000 0.467 271 N N -1.601 116.960 118.700 -0.232 0.000 2.646 271 N HA 0.064 4.804 4.740 -0.000 0.000 0.303 271 N C -0.275 175.147 175.510 -0.147 0.000 1.921 271 N CA -0.184 52.776 53.050 -0.150 0.000 0.872 271 N CB -0.048 38.384 38.487 -0.092 0.000 1.327 271 N HN 0.057 nan 8.380 nan 0.000 0.492 272 N N 0.917 119.489 118.700 -0.215 0.000 2.721 272 N HA -0.288 4.452 4.740 -0.000 0.000 0.249 272 N C -1.049 174.488 175.510 0.045 0.000 1.072 272 N CA 0.949 53.939 53.050 -0.099 0.000 0.710 272 N CB -1.927 36.573 38.487 0.021 0.000 0.993 272 N HN 0.608 nan 8.380 nan 0.000 0.547 273 Y N -3.392 116.929 120.300 0.035 0.000 4.177 273 Y HA -0.321 4.229 4.550 -0.000 0.000 0.227 273 Y C 0.585 176.529 175.900 0.072 0.000 1.154 273 Y CA 1.033 59.169 58.100 0.060 0.000 1.887 273 Y CB -1.918 36.606 38.460 0.107 0.000 1.594 273 Y HN 0.317 nan 8.280 nan 0.000 0.668 274 Q N 0.702 120.569 119.800 0.113 0.000 2.340 274 Q HA 0.508 4.848 4.340 -0.000 0.000 0.249 274 Q C 1.353 177.420 176.000 0.112 0.000 0.957 274 Q CA 0.781 56.644 55.803 0.100 0.000 0.882 274 Q CB 1.309 30.078 28.738 0.052 0.000 1.235 274 Q HN 0.550 nan 8.270 nan 0.000 0.439 275 G N 1.389 110.261 108.800 0.121 0.000 2.550 275 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.277 275 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.277 275 G C 0.521 175.550 174.900 0.216 0.000 1.190 275 G CA 0.200 45.384 45.100 0.140 0.000 0.971 275 G HN 1.380 nan 8.290 nan 0.000 0.559 276 G N -0.975 107.980 108.800 0.258 0.000 2.574 276 G HA2 0.150 4.110 3.960 -0.000 0.000 0.286 276 G HA3 0.150 4.110 3.960 -0.000 0.000 0.286 276 G C 0.165 175.340 174.900 0.458 0.000 1.212 276 G CA 0.988 46.339 45.100 0.419 0.000 0.979 276 G HN 2.171 nan 8.290 nan 0.000 0.557 277 F N 3.163 123.352 119.950 0.399 0.000 2.361 277 F HA 0.623 5.150 4.527 -0.000 0.000 0.364 277 F C 0.936 176.904 175.800 0.280 0.000 1.117 277 F CA -0.275 57.869 58.000 0.241 0.000 1.071 277 F CB 0.814 39.861 39.000 0.078 0.000 1.188 277 F HN 0.873 nan 8.300 nan 0.000 0.464 278 G N 3.813 112.456 108.800 -0.262 0.000 2.432 278 G HA2 0.140 4.100 3.960 -0.000 0.000 0.239 278 G HA3 0.140 4.100 3.960 -0.000 0.000 0.239 278 G C 0.802 175.523 174.900 -0.299 0.000 1.291 278 G CA -0.022 44.966 45.100 -0.187 0.000 0.863 278 G HN 0.770 nan 8.290 nan 0.000 0.560 279 T N 2.035 116.578 114.554 -0.018 0.000 2.737 279 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 279 T C 2.737 177.405 174.700 -0.054 0.000 1.040 279 T CA 2.068 64.205 62.100 0.061 0.000 1.142 279 T CB -0.271 68.716 68.868 0.199 0.000 0.861 279 T HN 0.572 nan 8.240 nan 0.000 0.456 280 T N 2.167 116.673 114.554 -0.080 0.000 2.720 280 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 280 T C 1.835 176.438 174.700 -0.162 0.000 1.037 280 T CA 0.911 62.961 62.100 -0.084 0.000 1.144 280 T CB -0.373 68.458 68.868 -0.061 0.000 0.864 280 T HN 0.146 nan 8.240 nan 0.000 0.444 281 L N 0.227 121.253 121.223 -0.328 0.000 2.072 281 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 281 L C 2.483 179.123 176.870 -0.383 0.000 1.079 281 L CA 1.271 55.863 54.840 -0.413 0.000 0.752 281 L CB -0.881 40.760 42.059 -0.696 0.000 0.906 281 L HN 0.197 nan 8.230 nan 0.000 0.436 282 M N 0.011 119.258 119.600 -0.587 0.000 2.080 282 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 282 M C 2.283 178.453 176.300 -0.217 0.000 1.068 282 M CA 2.106 57.208 55.300 -0.330 0.000 1.109 282 M CB -0.703 31.576 32.600 -0.536 0.000 1.342 282 M HN 0.182 nan 8.290 nan 0.000 0.405 283 A N -0.003 122.737 122.820 -0.132 0.000 1.908 283 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 283 A C 2.303 179.903 177.584 0.025 0.000 1.181 283 A CA 2.182 54.241 52.037 0.037 0.000 0.627 283 A CB -0.952 18.101 19.000 0.088 0.000 0.818 283 A HN 0.643 nan 8.150 nan 0.000 0.445 284 K N -0.442 119.941 120.400 -0.029 0.000 2.009 284 K HA -0.250 4.070 4.320 -0.000 0.000 0.210 284 K C 1.338 177.903 176.600 -0.058 0.000 1.049 284 K CA 2.029 58.298 56.287 -0.030 0.000 0.929 284 K CB -0.374 32.103 32.500 -0.038 0.000 0.714 284 K HN 0.366 nan 8.250 nan 0.000 0.440 285 D N 0.826 121.190 120.400 -0.061 0.000 2.144 285 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 285 D C 2.009 178.232 176.300 -0.129 0.000 0.984 285 D CA 0.879 54.834 54.000 -0.075 0.000 0.834 285 D CB -0.092 40.683 40.800 -0.042 0.000 0.955 285 D HN 0.257 nan 8.370 nan 0.000 0.465 286 L N 0.243 121.377 121.223 -0.148 0.000 2.156 286 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 286 L C 2.519 179.035 176.870 -0.589 0.000 1.095 286 L CA 1.011 55.707 54.840 -0.240 0.000 0.770 286 L CB -0.506 41.509 42.059 -0.073 0.000 0.914 286 L HN 0.063 nan 8.230 nan 0.000 0.439 287 G N 0.280 108.767 108.800 -0.522 0.000 2.440 287 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 287 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 287 G C 1.612 176.359 174.900 -0.256 0.000 1.154 287 G CA 0.609 45.439 45.100 -0.449 0.000 0.767 287 G HN 0.219 nan 8.290 nan 0.000 0.552 288 L N 0.554 121.673 121.223 -0.173 0.000 2.017 288 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 288 L C 3.453 180.249 176.870 -0.124 0.000 1.073 288 L CA 1.062 55.832 54.840 -0.117 0.000 0.745 288 L CB -0.525 41.481 42.059 -0.088 0.000 0.894 288 L HN 0.322 nan 8.230 nan 0.000 0.432 289 A N -0.331 122.398 122.820 -0.151 0.000 1.883 289 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 289 A C 2.197 179.711 177.584 -0.117 0.000 1.186 289 A CA 2.061 54.024 52.037 -0.124 0.000 0.624 289 A CB -0.607 18.320 19.000 -0.120 0.000 0.822 289 A HN 0.407 nan 8.150 nan 0.000 0.444 290 Q N -0.054 119.637 119.800 -0.182 0.000 2.030 290 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 290 Q C 1.460 177.426 176.000 -0.057 0.000 0.986 290 Q CA 2.267 58.003 55.803 -0.111 0.000 0.843 290 Q CB -0.277 28.369 28.738 -0.152 0.000 0.904 290 Q HN 0.629 nan 8.270 nan 0.000 0.420 291 D N -0.916 119.442 120.400 -0.070 0.000 2.144 291 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 291 D C 1.935 178.214 176.300 -0.036 0.000 0.984 291 D CA 1.271 55.248 54.000 -0.038 0.000 0.834 291 D CB -0.271 40.508 40.800 -0.035 0.000 0.955 291 D HN 0.161 nan 8.370 nan 0.000 0.465 292 S N 0.182 115.853 115.700 -0.048 0.000 2.383 292 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 292 S C 2.038 176.618 174.600 -0.034 0.000 1.026 292 S CA 0.969 59.144 58.200 -0.042 0.000 0.981 292 S CB -0.070 63.100 63.200 -0.050 0.000 0.818 292 S HN 0.357 nan 8.310 nan 0.000 0.472 293 A N 1.137 123.937 122.820 -0.033 0.000 1.898 293 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 293 A C 2.302 179.878 177.584 -0.013 0.000 1.181 293 A CA 1.887 53.911 52.037 -0.022 0.000 0.620 293 A CB -1.197 17.792 19.000 -0.018 0.000 0.819 293 A HN 0.468 nan 8.150 nan 0.000 0.442 294 T N -0.542 114.006 114.554 -0.010 0.000 2.708 294 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 294 T C 2.284 176.979 174.700 -0.008 0.000 1.037 294 T CA 1.725 63.822 62.100 -0.004 0.000 1.146 294 T CB -0.420 68.449 68.868 0.002 0.000 0.865 294 T HN 0.510 nan 8.240 nan 0.000 0.435 295 S N 1.179 116.871 115.700 -0.013 0.000 2.359 295 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 295 S C 2.181 176.771 174.600 -0.016 0.000 1.035 295 S CA 2.123 60.314 58.200 -0.016 0.000 1.018 295 S CB -0.654 62.534 63.200 -0.021 0.000 0.876 295 S HN 0.761 nan 8.310 nan 0.000 0.448 296 T N -1.609 112.934 114.554 -0.018 0.000 3.107 296 T HA 0.303 4.653 4.350 -0.000 0.000 0.249 296 T C 0.399 175.090 174.700 -0.014 0.000 1.096 296 T CA 0.114 62.203 62.100 -0.018 0.000 1.012 296 T CB -0.483 68.372 68.868 -0.023 0.000 0.977 296 T HN 0.510 nan 8.240 nan 0.000 0.527 297 K N 1.230 121.623 120.400 -0.011 0.000 3.096 297 K HA -0.125 4.195 4.320 -0.000 0.000 0.266 297 K C -0.762 175.834 176.600 -0.007 0.000 1.043 297 K CA 0.343 56.626 56.287 -0.007 0.000 0.758 297 K CB -2.109 30.387 32.500 -0.006 0.000 1.260 297 K HN 0.493 nan 8.250 nan 0.000 0.481 298 S N 1.836 117.531 115.700 -0.008 0.000 2.438 298 S HA 0.341 4.811 4.470 -0.000 0.000 0.293 298 S C -1.906 172.692 174.600 -0.003 0.000 1.141 298 S CA -1.207 56.988 58.200 -0.008 0.000 1.080 298 S CB 1.131 64.323 63.200 -0.013 0.000 0.978 298 S HN 0.075 nan 8.310 nan 0.000 0.479 299 P HA 0.318 nan 4.420 nan 0.000 0.276 299 P C -0.611 176.695 177.300 0.009 0.000 1.243 299 P CA -0.432 62.672 63.100 0.006 0.000 0.768 299 P CB 0.118 31.821 31.700 0.006 0.000 0.856 300 I N 0.336 120.915 120.570 0.015 0.000 2.782 300 I HA 0.245 4.415 4.170 -0.000 0.000 0.279 300 I C 0.731 176.867 176.117 0.031 0.000 1.247 300 I CA -0.672 60.640 61.300 0.020 0.000 1.062 300 I CB 0.523 38.533 38.000 0.016 0.000 1.421 300 I HN 0.040 nan 8.210 nan 0.000 0.558 301 L N 2.023 123.264 121.223 0.029 0.000 1.994 301 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 301 L C 2.229 179.125 176.870 0.043 0.000 1.071 301 L CA 1.753 56.613 54.840 0.033 0.000 0.745 301 L CB -0.244 41.831 42.059 0.026 0.000 0.892 301 L HN 0.614 nan 8.230 nan 0.000 0.431 302 L N -0.964 120.286 121.223 0.045 0.000 2.131 302 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 302 L C 2.649 179.564 176.870 0.074 0.000 1.087 302 L CA 1.099 55.973 54.840 0.057 0.000 0.767 302 L CB -1.152 40.939 42.059 0.055 0.000 0.917 302 L HN 0.335 nan 8.230 nan 0.000 0.441 303 G N -0.589 108.250 108.800 0.065 0.000 2.422 303 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 303 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 303 G C 1.752 176.715 174.900 0.105 0.000 1.146 303 G CA 0.870 46.014 45.100 0.073 0.000 0.769 303 G HN 0.300 nan 8.290 nan 0.000 0.547 304 S N 0.258 116.016 115.700 0.097 0.000 2.356 304 S HA 0.003 4.473 4.470 -0.000 0.000 0.223 304 S C 2.281 176.959 174.600 0.130 0.000 1.032 304 S CA 0.699 58.975 58.200 0.127 0.000 1.005 304 S CB -0.263 62.988 63.200 0.084 0.000 0.867 304 S HN 0.284 nan 8.310 nan 0.000 0.449 305 L N 1.029 122.309 121.223 0.094 0.000 2.017 305 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 305 L C 2.841 179.775 176.870 0.107 0.000 1.073 305 L CA 1.307 56.193 54.840 0.077 0.000 0.745 305 L CB -0.904 41.192 42.059 0.061 0.000 0.894 305 L HN 0.342 nan 8.230 nan 0.000 0.432 306 A N -0.766 122.146 122.820 0.152 0.000 1.892 306 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 306 A C 2.215 179.993 177.584 0.324 0.000 1.188 306 A CA 2.124 54.304 52.037 0.239 0.000 0.631 306 A CB -1.177 17.971 19.000 0.248 0.000 0.822 306 A HN 0.588 nan 8.150 nan 0.000 0.447 307 H N -1.040 118.117 119.070 0.145 0.000 2.352 307 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 307 H C 2.022 177.410 175.328 0.100 0.000 1.097 307 H CA 1.542 57.661 56.048 0.118 0.000 1.311 307 H CB 0.106 29.905 29.762 0.061 0.000 1.377 307 H HN 0.453 nan 8.280 nan 0.000 0.504 308 Q N 0.566 120.332 119.800 -0.056 0.000 2.123 308 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 308 Q C 2.625 178.577 176.000 -0.080 0.000 0.966 308 Q CA 0.712 56.426 55.803 -0.148 0.000 0.845 308 Q CB -0.193 28.492 28.738 -0.088 0.000 0.907 308 Q HN 0.590 nan 8.270 nan 0.000 0.439 309 I N -0.167 120.383 120.570 -0.033 0.000 2.179 309 I HA -0.303 3.866 4.170 -0.000 0.000 0.242 309 I C 1.953 177.904 176.117 -0.276 0.000 1.088 309 I CA 1.346 62.577 61.300 -0.115 0.000 1.357 309 I CB -0.324 37.612 38.000 -0.106 0.000 1.051 309 I HN 0.097 nan 8.210 nan 0.000 0.409 310 Y N 0.223 120.473 120.300 -0.084 0.000 2.293 310 Y HA -0.238 4.312 4.550 -0.000 0.000 0.291 310 Y C 2.642 178.470 175.900 -0.120 0.000 1.137 310 Y CA 1.240 59.281 58.100 -0.098 0.000 1.202 310 Y CB -0.370 38.098 38.460 0.014 0.000 0.990 310 Y HN 0.059 nan 8.280 nan 0.000 0.537 311 R N 0.625 121.130 120.500 0.008 0.000 2.073 311 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 311 R C 1.966 178.211 176.300 -0.093 0.000 1.134 311 R CA 1.870 57.936 56.100 -0.058 0.000 0.952 311 R CB -0.668 29.541 30.300 -0.150 0.000 0.850 311 R HN 0.314 nan 8.270 nan 0.000 0.433 312 M N -0.572 118.944 119.600 -0.140 0.000 2.117 312 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 312 M C 2.352 178.493 176.300 -0.265 0.000 1.065 312 M CA 1.919 57.130 55.300 -0.149 0.000 1.114 312 M CB -0.330 32.212 32.600 -0.096 0.000 1.361 312 M HN 0.196 nan 8.290 nan 0.000 0.408 313 M N -0.518 118.778 119.600 -0.506 0.000 2.149 313 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 313 M C 2.337 178.567 176.300 -0.117 0.000 1.064 313 M CA 1.368 56.322 55.300 -0.577 0.000 1.102 313 M CB -0.715 31.431 32.600 -0.757 0.000 1.369 313 M HN 0.425 nan 8.290 nan 0.000 0.408 314 C N 0.092 119.355 119.300 -0.062 0.000 2.425 314 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 314 C C 2.768 177.764 174.990 0.010 0.000 1.280 314 C CA 1.126 60.148 59.018 0.006 0.000 1.744 314 C CB -1.280 26.465 27.740 0.009 0.000 1.989 314 C HN 0.637 nan 8.230 nan 0.000 0.491 315 A N -0.683 122.132 122.820 -0.008 0.000 2.251 315 A HA 0.064 4.384 4.320 -0.000 0.000 0.209 315 A C 1.462 179.066 177.584 0.033 0.000 1.187 315 A CA 0.723 52.766 52.037 0.008 0.000 0.823 315 A CB -0.224 18.776 19.000 0.001 0.000 0.846 315 A HN 0.718 nan 8.150 nan 0.000 0.486 316 K N -1.306 119.130 120.400 0.060 0.000 2.676 316 K HA 0.346 4.666 4.320 -0.000 0.000 0.205 316 K C 0.662 177.332 176.600 0.116 0.000 1.084 316 K CA 0.333 56.694 56.287 0.123 0.000 1.057 316 K CB 0.601 33.225 32.500 0.206 0.000 0.791 316 K HN 0.470 nan 8.250 nan 0.000 0.484 317 G N 0.694 109.517 108.800 0.039 0.000 2.141 317 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.242 317 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.242 317 G C 0.235 175.029 174.900 -0.177 0.000 0.982 317 G CA -0.011 45.043 45.100 -0.077 0.000 0.662 317 G HN 0.381 nan 8.290 nan 0.000 0.527 318 Y N 1.298 121.570 120.300 -0.047 0.000 2.457 318 Y HA 0.183 4.733 4.550 -0.000 0.000 0.263 318 Y C 2.669 178.559 175.900 -0.016 0.000 1.164 318 Y CA 1.078 59.151 58.100 -0.045 0.000 1.274 318 Y CB 0.332 38.723 38.460 -0.115 0.000 1.097 318 Y HN 0.457 nan 8.280 nan 0.000 0.523 319 S N 0.190 115.949 115.700 0.098 0.000 2.400 319 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 319 S C 1.624 176.251 174.600 0.045 0.000 1.025 319 S CA 1.324 59.561 58.200 0.061 0.000 0.993 319 S CB -0.228 62.989 63.200 0.029 0.000 0.808 319 S HN 0.426 nan 8.310 nan 0.000 0.478 320 K N 0.904 121.330 120.400 0.042 0.000 2.393 320 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 320 K C 0.157 176.805 176.600 0.079 0.000 1.026 320 K CA 0.147 56.459 56.287 0.042 0.000 1.064 320 K CB 0.227 32.743 32.500 0.027 0.000 0.833 320 K HN 0.404 nan 8.250 nan 0.000 0.521 321 K N 1.643 122.110 120.400 0.113 0.000 2.154 321 K HA 0.044 4.364 4.320 -0.000 0.000 0.264 321 K C -0.492 176.244 176.600 0.226 0.000 1.008 321 K CA -0.489 55.905 56.287 0.178 0.000 0.937 321 K CB 0.811 33.429 32.500 0.196 0.000 1.002 321 K HN -0.034 nan 8.250 nan 0.000 0.469 322 D N 1.062 121.639 120.400 0.296 0.000 2.506 322 D HA -0.128 4.512 4.640 -0.000 0.000 0.234 322 D C 0.972 177.506 176.300 0.390 0.000 1.143 322 D CA 0.004 54.243 54.000 0.398 0.000 0.871 322 D CB 0.373 41.436 40.800 0.438 0.000 1.190 322 D HN 0.442 nan 8.370 nan 0.000 0.459 323 F N 1.950 122.080 119.950 0.300 0.000 2.307 323 F HA -0.131 4.396 4.527 -0.000 0.000 0.301 323 F C 2.005 178.063 175.800 0.429 0.000 1.076 323 F CA 0.925 59.138 58.000 0.355 0.000 1.383 323 F CB -1.392 37.737 39.000 0.215 0.000 1.055 323 F HN 0.280 nan 8.300 nan 0.000 0.526 324 S N 0.143 115.607 115.700 -0.393 0.000 2.555 324 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 324 S C 1.789 176.328 174.600 -0.101 0.000 0.978 324 S CA 0.488 58.550 58.200 -0.231 0.000 0.934 324 S CB -1.350 61.815 63.200 -0.058 0.000 0.766 324 S HN 0.577 nan 8.310 nan 0.000 0.533 325 S N 0.893 116.406 115.700 -0.311 0.000 2.595 325 S HA 0.023 4.493 4.470 -0.000 0.000 0.235 325 S C 1.494 175.880 174.600 -0.357 0.000 0.974 325 S CA 0.528 58.251 58.200 -0.796 0.000 0.942 325 S CB -0.696 62.217 63.200 -0.478 0.000 0.766 325 S HN 0.420 nan 8.310 nan 0.000 0.536 326 V N 1.102 120.893 119.914 -0.205 0.000 2.469 326 V HA -0.137 3.983 4.120 -0.000 0.000 0.251 326 V C 1.729 177.804 176.094 -0.030 0.000 1.064 326 V CA 2.002 64.193 62.300 -0.182 0.000 1.066 326 V CB -0.796 30.911 31.823 -0.193 0.000 0.667 326 V HN 0.636 nan 8.190 nan 0.000 0.461 327 F N 0.794 120.685 119.950 -0.098 0.000 2.069 327 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 327 F C 2.530 178.315 175.800 -0.024 0.000 1.113 327 F CA 2.561 60.542 58.000 -0.030 0.000 1.214 327 F CB -0.366 38.657 39.000 0.040 0.000 0.978 327 F HN 0.227 nan 8.300 nan 0.000 0.474 328 Q N -0.568 119.197 119.800 -0.058 0.000 2.112 328 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 328 Q C 2.232 178.210 176.000 -0.036 0.000 0.987 328 Q CA 2.191 57.968 55.803 -0.044 0.000 0.858 328 Q CB -0.564 28.224 28.738 0.083 0.000 0.905 328 Q HN 0.543 nan 8.270 nan 0.000 0.420 329 F N 0.358 120.140 119.950 -0.279 0.000 2.171 329 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 329 F C 1.517 177.156 175.800 -0.267 0.000 1.090 329 F CA 1.203 58.983 58.000 -0.366 0.000 1.293 329 F CB 0.002 38.537 39.000 -0.775 0.000 1.013 329 F HN 0.063 nan 8.300 nan 0.000 0.486 330 L N -0.113 120.887 121.223 -0.372 0.000 2.202 330 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 330 L C 1.396 178.024 176.870 -0.404 0.000 1.083 330 L CA 0.254 54.844 54.840 -0.415 0.000 0.790 330 L CB -0.507 41.403 42.059 -0.249 0.000 0.942 330 L HN -0.069 nan 8.230 nan 0.000 0.452 331 R N 1.716 121.909 120.500 -0.510 0.000 2.623 331 R HA 0.012 4.352 4.340 -0.000 0.000 0.271 331 R C -0.079 176.049 176.300 -0.287 0.000 1.043 331 R CA 0.195 55.997 56.100 -0.497 0.000 1.083 331 R CB 0.671 30.479 30.300 -0.820 0.000 0.974 331 R HN 0.151 nan 8.270 nan 0.000 0.436 332 E N 0.000 120.079 120.200 -0.201 0.000 2.725 332 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 332 E CA 0.000 56.321 56.400 -0.131 0.000 0.976 332 E CB 0.000 29.633 29.700 -0.112 0.000 0.812 332 E HN 0.000 nan 8.360 nan 0.000 0.440