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_D 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 LREE 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 0.000 176.371 176.300 0.118 0.000 1.140 40 M CA 0.000 55.345 55.300 0.075 0.000 0.988 40 M CB 0.000 32.651 32.600 0.084 0.000 1.302 41 P HA 0.432 nan 4.420 nan 0.000 0.275 41 P C -0.841 176.503 177.300 0.075 0.000 1.228 41 P CA -0.341 62.816 63.100 0.096 0.000 0.786 41 P CB 1.243 32.981 31.700 0.064 0.000 0.927 42 V N 1.335 121.294 119.914 0.074 0.000 2.513 42 V HA 0.596 4.716 4.120 -0.000 0.000 0.299 42 V C 0.938 177.052 176.094 0.033 0.000 1.035 42 V CA -0.694 61.611 62.300 0.009 0.000 0.889 42 V CB 1.476 33.259 31.823 -0.068 0.000 0.988 42 V HN 0.795 nan 8.190 nan 0.000 0.440 43 G N 2.152 110.951 108.800 -0.001 0.000 2.415 43 G HA2 0.555 4.515 3.960 -0.000 0.000 0.269 43 G HA3 0.555 4.515 3.960 -0.000 0.000 0.269 43 G C -1.386 173.529 174.900 0.026 0.000 1.209 43 G CA -0.065 45.042 45.100 0.011 0.000 0.835 43 G HN 0.473 nan 8.290 nan 0.000 0.534 44 F N 1.585 121.492 119.950 -0.071 0.000 2.562 44 F HA 0.560 5.087 4.527 -0.000 0.000 0.319 44 F C -0.467 175.291 175.800 -0.071 0.000 1.154 44 F CA -0.995 56.952 58.000 -0.088 0.000 0.931 44 F CB 1.839 40.758 39.000 -0.135 0.000 1.198 44 F HN 0.255 nan 8.300 nan 0.000 0.444 45 I N 4.784 125.354 120.570 0.001 0.000 2.382 45 I HA 0.662 4.831 4.170 -0.000 0.000 0.286 45 I C -0.069 176.104 176.117 0.094 0.000 1.002 45 I CA -0.664 60.685 61.300 0.081 0.000 1.135 45 I CB 1.653 39.668 38.000 0.026 0.000 1.288 45 I HN 0.786 nan 8.210 nan 0.000 0.448 46 G N 6.257 115.125 108.800 0.113 0.000 3.380 46 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.685 46 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.685 46 G C -0.858 174.135 174.900 0.156 0.000 1.136 46 G CA -0.941 44.214 45.100 0.091 0.000 1.011 46 G HN 0.570 nan 8.290 nan 0.000 0.471 47 L N 2.863 124.108 121.223 0.036 0.000 2.999 47 L HA 0.490 4.829 4.340 -0.000 0.000 0.263 47 L C 1.510 178.402 176.870 0.036 0.000 1.320 47 L CA -0.069 54.775 54.840 0.006 0.000 0.913 47 L CB 0.444 42.451 42.059 -0.086 0.000 1.296 47 L HN 0.737 nan 8.230 nan 0.000 0.546 48 G N -0.010 108.811 108.800 0.035 0.000 2.485 48 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.260 48 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.260 48 G C 0.612 175.538 174.900 0.044 0.000 1.459 48 G CA -0.290 44.820 45.100 0.017 0.000 1.060 48 G HN 0.509 nan 8.290 nan 0.000 0.546 49 N N -0.451 118.271 118.700 0.037 0.000 2.430 49 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 49 N C 1.772 177.320 175.510 0.063 0.000 1.032 49 N CA 1.183 54.263 53.050 0.050 0.000 0.893 49 N CB 0.014 38.529 38.487 0.047 0.000 0.957 49 N HN 0.186 nan 8.380 nan 0.000 0.442 50 M N -0.788 118.854 119.600 0.069 0.000 2.858 50 M HA 0.247 4.727 4.480 -0.000 0.000 0.255 50 M C 2.299 178.666 176.300 0.111 0.000 1.336 50 M CA 0.669 56.019 55.300 0.083 0.000 1.220 50 M CB -1.165 31.481 32.600 0.077 0.000 1.252 50 M HN 0.213 nan 8.290 nan 0.000 0.538 51 G N 1.461 110.342 108.800 0.136 0.000 2.440 51 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 51 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 51 G C 1.429 176.266 174.900 -0.104 0.000 1.154 51 G CA 1.231 46.439 45.100 0.179 0.000 0.767 51 G HN 0.471 nan 8.290 nan 0.000 0.552 52 N N 1.387 120.092 118.700 0.009 0.000 2.013 52 N HA -0.099 4.641 4.740 -0.000 0.000 0.195 52 N C 0.007 175.581 175.510 0.106 0.000 1.051 52 N CA 1.903 55.033 53.050 0.134 0.000 0.851 52 N CB -0.842 37.760 38.487 0.192 0.000 1.044 52 N HN 0.202 nan 8.380 nan 0.000 0.422 53 P HA -0.083 nan 4.420 nan 0.000 0.220 53 P C 1.673 179.003 177.300 0.049 0.000 1.148 53 P CA 1.177 64.313 63.100 0.059 0.000 0.803 53 P CB -0.134 31.603 31.700 0.062 0.000 0.782 54 M N -0.244 119.372 119.600 0.027 0.000 2.099 54 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 54 M C 2.379 178.633 176.300 -0.077 0.000 1.067 54 M CA 2.082 57.425 55.300 0.072 0.000 1.124 54 M CB -0.933 31.826 32.600 0.266 0.000 1.353 54 M HN -0.096 nan 8.290 nan 0.000 0.410 55 A N 0.438 122.965 122.820 -0.489 0.000 1.933 55 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 55 A C 2.098 179.657 177.584 -0.040 0.000 1.175 55 A CA 1.705 53.400 52.037 -0.569 0.000 0.628 55 A CB -0.546 17.851 19.000 -1.005 0.000 0.814 55 A HN 0.427 nan 8.150 nan 0.000 0.444 56 K N -0.362 120.089 120.400 0.086 0.000 2.097 56 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 56 K C 1.550 178.219 176.600 0.116 0.000 1.049 56 K CA 1.290 57.651 56.287 0.125 0.000 0.933 56 K CB -0.191 32.354 32.500 0.075 0.000 0.717 56 K HN 0.371 nan 8.250 nan 0.000 0.442 57 N N 0.996 119.770 118.700 0.123 0.000 2.309 57 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 57 N C 1.723 177.400 175.510 0.279 0.000 1.018 57 N CA 0.811 53.976 53.050 0.192 0.000 0.876 57 N CB -0.034 38.562 38.487 0.182 0.000 0.972 57 N HN 0.148 nan 8.380 nan 0.000 0.434 58 L N 0.290 121.636 121.223 0.205 0.000 2.093 58 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 58 L C 2.222 179.296 176.870 0.340 0.000 1.085 58 L CA 0.814 55.814 54.840 0.266 0.000 0.755 58 L CB -0.267 41.878 42.059 0.144 0.000 0.904 58 L HN 0.131 nan 8.230 nan 0.000 0.435 59 M N -0.702 119.032 119.600 0.223 0.000 2.175 59 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 59 M C 2.105 178.483 176.300 0.129 0.000 1.063 59 M CA 1.596 57.000 55.300 0.174 0.000 1.119 59 M CB -0.403 32.281 32.600 0.140 0.000 1.377 59 M HN 0.076 nan 8.290 nan 0.000 0.415 60 K N -0.491 119.986 120.400 0.128 0.000 2.280 60 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 60 K C 1.185 177.759 176.600 -0.043 0.000 1.047 60 K CA 1.077 57.387 56.287 0.037 0.000 0.942 60 K CB -0.133 32.384 32.500 0.028 0.000 0.739 60 K HN 0.419 nan 8.250 nan 0.000 0.457 61 H N -1.553 117.566 119.070 0.081 0.000 2.539 61 H HA 0.132 4.688 4.556 -0.000 0.000 0.269 61 H C 0.894 176.154 175.328 -0.115 0.000 0.980 61 H CA 0.656 56.728 56.048 0.040 0.000 1.152 61 H CB 1.004 30.864 29.762 0.162 0.000 1.407 61 H HN 0.377 nan 8.280 nan 0.000 0.564 62 G N -0.456 108.347 108.800 0.006 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 -0.514 174.308 174.900 -0.130 0.000 0.986 62 G CA -0.512 44.531 45.100 -0.096 0.000 0.651 62 G HN 0.283 nan 8.290 nan 0.000 0.523 63 Y N 1.446 121.790 120.300 0.073 0.000 2.393 63 Y HA 0.458 5.008 4.550 -0.000 0.000 0.338 63 Y C -1.652 174.282 175.900 0.057 0.000 1.029 63 Y CA -1.920 56.215 58.100 0.059 0.000 1.239 63 Y CB 0.819 39.316 38.460 0.061 0.000 1.170 63 Y HN 0.018 nan 8.280 nan 0.000 0.515 64 P HA 0.139 nan 4.420 nan 0.000 0.271 64 P C -1.084 176.303 177.300 0.144 0.000 1.216 64 P CA -0.159 63.022 63.100 0.135 0.000 0.776 64 P CB 0.753 32.510 31.700 0.095 0.000 0.881 65 L N 3.731 125.024 121.223 0.117 0.000 2.362 65 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 65 L C -0.259 176.656 176.870 0.075 0.000 1.002 65 L CA -0.290 54.610 54.840 0.099 0.000 0.818 65 L CB 1.522 43.633 42.059 0.086 0.000 1.298 65 L HN 0.287 nan 8.230 nan 0.000 0.420 66 I N 4.460 125.069 120.570 0.066 0.000 2.355 66 I HA 0.408 4.578 4.170 -0.000 0.000 0.288 66 I C -0.684 175.469 176.117 0.060 0.000 0.999 66 I CA -0.342 60.991 61.300 0.056 0.000 1.163 66 I CB 1.173 39.199 38.000 0.043 0.000 1.316 66 I HN 0.243 nan 8.210 nan 0.000 0.454 67 I N 6.642 127.244 120.570 0.053 0.000 2.460 67 I HA 0.385 4.555 4.170 -0.000 0.000 0.298 67 I C -0.827 175.367 176.117 0.128 0.000 0.989 67 I CA -0.828 60.491 61.300 0.032 0.000 1.173 67 I CB 1.474 39.427 38.000 -0.078 0.000 1.338 67 I HN 0.468 nan 8.210 nan 0.000 0.456 68 Y N 4.095 124.387 120.300 -0.013 0.000 2.479 68 Y HA 0.544 5.094 4.550 -0.000 0.000 0.338 68 Y C -1.582 174.328 175.900 0.017 0.000 1.055 68 Y CA -0.916 57.185 58.100 0.002 0.000 1.023 68 Y CB 1.931 40.388 38.460 -0.006 0.000 1.287 68 Y HN 0.684 nan 8.280 nan 0.000 0.447 69 D N 3.014 122.891 120.400 -0.872 0.000 2.857 69 D HA 0.271 4.911 4.640 -0.000 0.000 0.227 69 D C -0.257 175.478 176.300 -0.942 0.000 1.192 69 D CA -0.561 52.997 54.000 -0.736 0.000 0.857 69 D CB 2.522 43.175 40.800 -0.245 0.000 1.645 69 D HN 0.434 nan 8.370 nan 0.000 0.482 70 V N 2.730 122.332 119.914 -0.520 0.000 2.720 70 V HA 0.028 4.148 4.120 -0.000 0.000 0.256 70 V C 0.094 176.274 176.094 0.144 0.000 1.082 70 V CA 1.276 63.518 62.300 -0.097 0.000 1.101 70 V CB -0.464 31.437 31.823 0.129 0.000 0.693 70 V HN 0.421 nan 8.190 nan 0.000 0.479 71 F N 2.271 122.127 119.950 -0.157 0.000 2.375 71 F HA 0.421 4.948 4.527 -0.000 0.000 0.362 71 F C -0.888 174.862 175.800 -0.083 0.000 1.129 71 F CA -3.011 54.941 58.000 -0.081 0.000 1.154 71 F CB 1.008 39.980 39.000 -0.047 0.000 1.205 71 F HN 0.106 nan 8.300 nan 0.000 0.513 72 P HA -0.152 nan 4.420 nan 0.000 0.220 72 P C 0.781 178.100 177.300 0.033 0.000 1.148 72 P CA 1.244 64.343 63.100 -0.000 0.000 0.803 72 P CB 0.437 32.123 31.700 -0.025 0.000 0.782 73 D N 0.352 120.773 120.400 0.035 0.000 2.178 73 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 73 D C 2.033 178.400 176.300 0.112 0.000 0.974 73 D CA 1.328 55.366 54.000 0.063 0.000 0.841 73 D CB -0.738 40.096 40.800 0.056 0.000 0.953 73 D HN 0.135 nan 8.370 nan 0.000 0.478 74 A N -0.525 122.387 122.820 0.154 0.000 2.167 74 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 74 A C 2.047 179.750 177.584 0.200 0.000 1.151 74 A CA 0.506 52.641 52.037 0.163 0.000 0.735 74 A CB -0.344 18.741 19.000 0.140 0.000 0.802 74 A HN 0.328 nan 8.150 nan 0.000 0.467 75 C N -1.573 117.817 119.300 0.151 0.000 2.611 75 C HA 0.251 4.711 4.460 -0.000 0.000 0.282 75 C C 3.122 178.240 174.990 0.213 0.000 1.321 75 C CA 0.746 59.869 59.018 0.176 0.000 1.747 75 C CB -0.362 27.422 27.740 0.073 0.000 2.124 75 C HN 0.719 nan 8.230 nan 0.000 0.531 76 K N 1.365 121.845 120.400 0.134 0.000 2.103 76 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 76 K C 1.722 178.361 176.600 0.065 0.000 1.048 76 K CA 2.104 58.442 56.287 0.086 0.000 0.930 76 K CB -0.864 31.666 32.500 0.050 0.000 0.716 76 K HN 0.719 nan 8.250 nan 0.000 0.444 77 E N -1.243 118.981 120.200 0.040 0.000 2.085 77 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 77 E C 1.791 178.273 176.600 -0.197 0.000 0.994 77 E CA 1.572 57.897 56.400 -0.125 0.000 0.801 77 E CB -0.195 29.347 29.700 -0.264 0.000 0.743 77 E HN 0.699 nan 8.360 nan 0.000 0.453 78 F N 0.427 120.374 119.950 -0.005 0.000 2.335 78 F HA -0.005 4.522 4.527 -0.000 0.000 0.296 78 F C 2.586 178.390 175.800 0.007 0.000 1.091 78 F CA 0.726 58.724 58.000 -0.004 0.000 1.399 78 F CB -0.208 38.786 39.000 -0.011 0.000 1.067 78 F HN 0.041 nan 8.300 nan 0.000 0.520 79 Q N 0.439 120.348 119.800 0.183 0.000 2.119 79 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 79 Q C 1.167 177.205 176.000 0.063 0.000 0.972 79 Q CA 1.478 57.347 55.803 0.110 0.000 0.847 79 Q CB -0.054 28.738 28.738 0.091 0.000 0.903 79 Q HN 0.233 nan 8.270 nan 0.000 0.433 80 D N -0.522 119.900 120.400 0.036 0.000 2.378 80 D HA -0.071 4.569 4.640 -0.000 0.000 0.222 80 D C 0.411 176.712 176.300 0.001 0.000 0.980 80 D CA 0.891 54.895 54.000 0.008 0.000 0.907 80 D CB 0.285 41.076 40.800 -0.014 0.000 0.899 80 D HN 0.311 nan 8.370 nan 0.000 0.527 81 A N -1.064 121.764 122.820 0.012 0.000 2.571 81 A HA 0.553 4.873 4.320 -0.000 0.000 0.274 81 A C 1.431 179.037 177.584 0.036 0.000 1.196 81 A CA 0.394 52.435 52.037 0.008 0.000 0.957 81 A CB 0.347 19.332 19.000 -0.024 0.000 1.150 81 A HN 0.101 nan 8.150 nan 0.000 0.539 82 G N -0.626 108.203 108.800 0.048 0.000 2.141 82 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.231 82 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.231 82 G C -0.159 174.783 174.900 0.070 0.000 0.984 82 G CA 0.293 45.423 45.100 0.051 0.000 0.660 82 G HN 0.592 nan 8.290 nan 0.000 0.525 83 E N -0.196 120.063 120.200 0.099 0.000 2.231 83 E HA 0.531 4.881 4.350 -0.000 0.000 0.277 83 E C 0.202 176.859 176.600 0.095 0.000 0.999 83 E CA -0.665 55.802 56.400 0.112 0.000 0.827 83 E CB 1.831 31.633 29.700 0.169 0.000 1.101 83 E HN 0.476 nan 8.360 nan 0.000 0.393 84 Q N 1.114 120.961 119.800 0.077 0.000 2.307 84 Q HA 0.263 4.603 4.340 -0.000 0.000 0.259 84 Q C -0.887 175.154 176.000 0.069 0.000 0.998 84 Q CA -0.222 55.621 55.803 0.065 0.000 0.923 84 Q CB 0.911 29.681 28.738 0.053 0.000 1.196 84 Q HN 0.362 nan 8.270 nan 0.000 0.416 85 V N 5.407 125.365 119.914 0.074 0.000 2.407 85 V HA 0.320 4.440 4.120 -0.000 0.000 0.278 85 V C 0.319 176.465 176.094 0.086 0.000 1.037 85 V CA -0.437 61.913 62.300 0.084 0.000 0.900 85 V CB 1.170 33.046 31.823 0.089 0.000 0.983 85 V HN 0.624 nan 8.190 nan 0.000 0.459 86 V N 2.498 122.478 119.914 0.109 0.000 3.234 86 V HA 0.668 4.788 4.120 -0.000 0.000 0.317 86 V C 0.906 177.091 176.094 0.152 0.000 1.147 86 V CA 0.175 62.531 62.300 0.093 0.000 1.037 86 V CB 1.741 33.591 31.823 0.045 0.000 1.148 86 V HN 0.785 nan 8.190 nan 0.000 0.455 87 S N -0.514 115.228 115.700 0.070 0.000 2.503 87 S HA 0.281 4.751 4.470 -0.000 0.000 0.217 87 S C 0.758 175.286 174.600 -0.120 0.000 0.999 87 S CA 0.419 58.666 58.200 0.077 0.000 0.914 87 S CB -0.455 62.766 63.200 0.034 0.000 0.782 87 S HN 1.817 nan 8.310 nan 0.000 0.520 88 S N -0.199 115.278 115.700 -0.372 0.000 2.596 88 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 88 S C -2.970 171.211 174.600 -0.699 0.000 1.155 88 S CA -1.206 56.538 58.200 -0.761 0.000 0.827 88 S CB 1.313 64.294 63.200 -0.365 0.000 1.130 88 S HN -0.092 nan 8.310 nan 0.000 0.467 89 P HA 0.019 nan 4.420 nan 0.000 0.218 89 P C 1.602 178.768 177.300 -0.223 0.000 1.148 89 P CA 1.992 64.887 63.100 -0.341 0.000 0.822 89 P CB -0.198 31.336 31.700 -0.276 0.000 0.784 90 A N 0.138 122.835 122.820 -0.206 0.000 1.908 90 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 90 A C 1.946 179.467 177.584 -0.105 0.000 1.181 90 A CA 2.198 54.157 52.037 -0.130 0.000 0.627 90 A CB -1.492 17.443 19.000 -0.108 0.000 0.818 90 A HN 0.096 nan 8.150 nan 0.000 0.445 91 D N -0.484 119.843 120.400 -0.122 0.000 2.219 91 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 91 D C 1.991 178.258 176.300 -0.055 0.000 0.970 91 D CA 1.114 55.068 54.000 -0.077 0.000 0.851 91 D CB -0.285 40.471 40.800 -0.073 0.000 0.943 91 D HN 0.243 nan 8.370 nan 0.000 0.488 92 V N 1.199 121.071 119.914 -0.069 0.000 2.307 92 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 92 V C 2.492 178.561 176.094 -0.041 0.000 1.045 92 V CA 1.776 64.053 62.300 -0.038 0.000 1.024 92 V CB -0.802 30.999 31.823 -0.036 0.000 0.651 92 V HN 0.195 nan 8.190 nan 0.000 0.449 93 A N -0.716 122.068 122.820 -0.061 0.000 2.019 93 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 93 A C 2.250 179.816 177.584 -0.030 0.000 1.164 93 A CA 1.735 53.744 52.037 -0.047 0.000 0.644 93 A CB -0.494 18.473 19.000 -0.055 0.000 0.805 93 A HN 0.618 nan 8.150 nan 0.000 0.449 94 E N -0.399 119.783 120.200 -0.031 0.000 2.204 94 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 94 E C 1.390 177.984 176.600 -0.011 0.000 0.989 94 E CA 1.143 57.531 56.400 -0.020 0.000 0.824 94 E CB 0.015 29.701 29.700 -0.023 0.000 0.756 94 E HN 0.626 nan 8.360 nan 0.000 0.477 95 K N -1.264 119.131 120.400 -0.009 0.000 2.412 95 K HA 0.279 4.599 4.320 -0.000 0.000 0.202 95 K C -0.401 176.202 176.600 0.005 0.000 1.102 95 K CA 0.062 56.350 56.287 0.002 0.000 1.027 95 K CB 1.733 34.238 32.500 0.007 0.000 0.931 95 K HN -0.077 nan 8.250 nan 0.000 0.557 96 A N 0.632 123.451 122.820 -0.002 0.000 2.356 96 A HA 0.487 4.807 4.320 -0.000 0.000 0.310 96 A C -0.054 177.523 177.584 -0.011 0.000 1.075 96 A CA -0.199 51.837 52.037 -0.002 0.000 0.746 96 A CB 1.097 20.094 19.000 -0.004 0.000 1.221 96 A HN 0.214 nan 8.150 nan 0.000 0.443 97 D N 0.388 120.783 120.400 -0.008 0.000 2.339 97 D HA 0.447 5.087 4.640 -0.000 0.000 0.217 97 D C 0.725 177.009 176.300 -0.027 0.000 1.050 97 D CA 1.169 55.162 54.000 -0.012 0.000 0.856 97 D CB -0.031 40.766 40.800 -0.005 0.000 0.922 97 D HN 1.172 nan 8.370 nan 0.000 0.518 98 R N 0.045 120.521 120.500 -0.041 0.000 2.532 98 R HA 0.768 5.108 4.340 -0.000 0.000 0.297 98 R C -1.185 175.061 176.300 -0.090 0.000 0.984 98 R CA -0.500 55.556 56.100 -0.074 0.000 0.884 98 R CB 0.505 30.747 30.300 -0.098 0.000 1.182 98 R HN 0.367 nan 8.270 nan 0.000 0.442 99 I N 2.690 123.194 120.570 -0.110 0.000 2.582 99 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 99 I C -0.591 175.399 176.117 -0.211 0.000 1.066 99 I CA -1.090 60.125 61.300 -0.141 0.000 1.053 99 I CB 2.463 40.392 38.000 -0.118 0.000 1.241 99 I HN 0.560 nan 8.210 nan 0.000 0.421 100 I N 4.605 124.971 120.570 -0.341 0.000 2.339 100 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 100 I C 0.117 175.876 176.117 -0.597 0.000 0.994 100 I CA -0.304 60.692 61.300 -0.507 0.000 1.191 100 I CB 1.874 39.441 38.000 -0.721 0.000 1.343 100 I HN 0.571 nan 8.210 nan 0.000 0.458 101 T N 3.473 117.834 114.554 -0.322 0.000 2.795 101 T HA 0.681 5.031 4.350 -0.000 0.000 0.282 101 T C -0.436 174.180 174.700 -0.140 0.000 0.980 101 T CA -0.713 61.267 62.100 -0.201 0.000 1.012 101 T CB 1.684 70.550 68.868 -0.003 0.000 0.936 101 T HN 0.415 nan 8.240 nan 0.000 0.457 102 M N 4.286 123.833 119.600 -0.088 0.000 1.996 102 M HA 0.550 5.030 4.480 -0.000 0.000 0.268 102 M C -2.164 174.172 176.300 0.059 0.000 0.888 102 M CA -0.936 54.377 55.300 0.022 0.000 0.939 102 M CB 0.072 32.745 32.600 0.123 0.000 1.736 102 M HN 0.709 nan 8.290 nan 0.000 0.407 103 L N 5.354 126.611 121.223 0.056 0.000 2.341 103 L HA 0.692 5.032 4.340 -0.000 0.000 0.267 103 L C -1.671 175.222 176.870 0.038 0.000 1.009 103 L CA -1.704 53.166 54.840 0.051 0.000 0.819 103 L CB 1.961 44.062 42.059 0.070 0.000 1.323 103 L HN 0.388 nan 8.230 nan 0.000 0.425 104 P HA 0.027 nan 4.420 nan 0.000 0.225 104 P C -0.256 177.050 177.300 0.010 0.000 1.156 104 P CA 0.848 63.953 63.100 0.008 0.000 0.787 104 P CB 0.331 32.024 31.700 -0.013 0.000 0.802 105 T N -2.737 111.829 114.554 0.020 0.000 2.843 105 T HA 0.231 4.581 4.350 -0.000 0.000 0.302 105 T C 0.903 175.620 174.700 0.028 0.000 1.232 105 T CA -0.470 61.640 62.100 0.017 0.000 1.009 105 T CB 1.559 70.434 68.868 0.012 0.000 1.254 105 T HN -0.388 nan 8.240 nan 0.000 0.504 106 S N 0.802 116.513 115.700 0.017 0.000 2.359 106 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 106 S C 2.201 176.817 174.600 0.027 0.000 1.035 106 S CA 1.910 60.120 58.200 0.017 0.000 1.018 106 S CB -0.694 62.506 63.200 -0.000 0.000 0.876 106 S HN 0.735 nan 8.310 nan 0.000 0.448 107 I N 0.846 121.431 120.570 0.025 0.000 2.179 107 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 107 I C 1.688 177.833 176.117 0.048 0.000 1.088 107 I CA 1.798 63.117 61.300 0.030 0.000 1.357 107 I CB -0.845 37.169 38.000 0.024 0.000 1.051 107 I HN 0.140 nan 8.210 nan 0.000 0.409 108 N N 1.897 120.627 118.700 0.051 0.000 2.166 108 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 108 N C 2.044 177.613 175.510 0.098 0.000 1.019 108 N CA 1.507 54.596 53.050 0.066 0.000 0.856 108 N CB -0.333 38.186 38.487 0.053 0.000 0.993 108 N HN 0.519 nan 8.380 nan 0.000 0.426 109 A N 1.528 124.415 122.820 0.111 0.000 1.877 109 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 109 A C 2.209 179.938 177.584 0.242 0.000 1.186 109 A CA 1.295 53.446 52.037 0.190 0.000 0.620 109 A CB -0.903 18.192 19.000 0.157 0.000 0.822 109 A HN 0.468 nan 8.150 nan 0.000 0.443 110 I N -2.343 118.306 120.570 0.130 0.000 2.394 110 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 110 I C 2.046 178.234 176.117 0.119 0.000 1.136 110 I CA 2.270 63.634 61.300 0.106 0.000 1.425 110 I CB -0.368 37.650 38.000 0.029 0.000 1.079 110 I HN 0.284 nan 8.210 nan 0.000 0.425 111 E N 2.251 122.510 120.200 0.097 0.000 2.106 111 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 111 E C 2.172 178.814 176.600 0.069 0.000 0.984 111 E CA 1.758 58.202 56.400 0.074 0.000 0.806 111 E CB -0.280 29.459 29.700 0.066 0.000 0.750 111 E HN 0.570 nan 8.360 nan 0.000 0.458 112 A N -0.967 121.904 122.820 0.085 0.000 2.015 112 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 112 A C 1.712 179.221 177.584 -0.126 0.000 1.163 112 A CA 1.306 53.336 52.037 -0.012 0.000 0.646 112 A CB -0.573 18.413 19.000 -0.023 0.000 0.806 112 A HN 0.416 nan 8.150 nan 0.000 0.448 113 Y N -0.943 119.371 120.300 0.024 0.000 2.314 113 Y HA 0.059 4.609 4.550 -0.000 0.000 0.294 113 Y C 2.529 178.426 175.900 -0.005 0.000 1.139 113 Y CA 1.418 59.528 58.100 0.017 0.000 1.162 113 Y CB 0.147 38.622 38.460 0.025 0.000 1.121 113 Y HN 0.194 nan 8.280 nan 0.000 0.529 114 S N -0.307 115.483 115.700 0.150 0.000 2.540 114 S HA 0.206 4.676 4.470 -0.000 0.000 0.218 114 S C 1.023 175.646 174.600 0.038 0.000 0.977 114 S CA 0.135 58.377 58.200 0.071 0.000 0.918 114 S CB -0.224 63.002 63.200 0.044 0.000 0.806 114 S HN 0.401 nan 8.310 nan 0.000 0.496 115 G N 0.907 109.728 108.800 0.035 0.000 2.684 115 G HA2 0.430 4.390 3.960 -0.000 0.000 0.255 115 G HA3 0.430 4.390 3.960 -0.000 0.000 0.255 115 G C 1.125 176.026 174.900 0.001 0.000 1.219 115 G CA -0.035 45.076 45.100 0.018 0.000 0.901 115 G HN 0.283 nan 8.290 nan 0.000 0.548 116 A N -0.097 122.722 122.820 -0.001 0.000 1.940 116 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 116 A C 1.709 179.278 177.584 -0.024 0.000 1.176 116 A CA 1.490 53.522 52.037 -0.009 0.000 0.631 116 A CB -0.145 18.853 19.000 -0.004 0.000 0.814 116 A HN 0.527 nan 8.150 nan 0.000 0.446 117 N N -0.281 118.395 118.700 -0.040 0.000 2.416 117 N HA 0.194 4.934 4.740 -0.000 0.000 0.267 117 N C 0.399 175.847 175.510 -0.103 0.000 1.294 117 N CA 0.491 53.497 53.050 -0.075 0.000 0.891 117 N CB 0.709 39.138 38.487 -0.097 0.000 1.238 117 N HN 0.380 nan 8.380 nan 0.000 0.508 118 G N 0.184 108.943 108.800 -0.068 0.000 2.599 118 G HA2 0.283 4.243 3.960 -0.000 0.000 0.264 118 G HA3 0.283 4.243 3.960 -0.000 0.000 0.264 118 G C 1.379 176.224 174.900 -0.092 0.000 1.200 118 G CA -0.530 44.524 45.100 -0.077 0.000 0.896 118 G HN 0.114 nan 8.290 nan 0.000 0.536 119 I N -0.236 120.251 120.570 -0.139 0.000 2.194 119 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 119 I C 2.515 178.612 176.117 -0.034 0.000 1.093 119 I CA 0.865 62.086 61.300 -0.131 0.000 1.355 119 I CB -0.175 37.673 38.000 -0.252 0.000 1.046 119 I HN 0.262 nan 8.210 nan 0.000 0.413 120 L N 0.318 121.553 121.223 0.020 0.000 2.362 120 L HA -0.158 4.182 4.340 -0.000 0.000 0.219 120 L C 2.297 179.174 176.870 0.012 0.000 1.134 120 L CA 1.433 56.298 54.840 0.043 0.000 0.807 120 L CB -0.647 41.453 42.059 0.069 0.000 0.927 120 L HN 0.095 nan 8.230 nan 0.000 0.447 121 K N 0.033 120.428 120.400 -0.008 0.000 2.211 121 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 121 K C 1.286 177.876 176.600 -0.017 0.000 1.050 121 K CA 1.120 57.398 56.287 -0.015 0.000 0.945 121 K CB 0.021 32.505 32.500 -0.027 0.000 0.732 121 K HN 0.340 nan 8.250 nan 0.000 0.451 122 K N 0.246 120.634 120.400 -0.022 0.000 2.533 122 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 122 K C -0.393 176.199 176.600 -0.014 0.000 1.096 122 K CA -0.124 56.151 56.287 -0.021 0.000 1.056 122 K CB 1.533 34.013 32.500 -0.033 0.000 0.890 122 K HN -0.169 nan 8.250 nan 0.000 0.552 123 V N 2.542 122.454 119.914 -0.004 0.000 2.585 123 V HA 0.048 4.168 4.120 -0.000 0.000 0.296 123 V C -0.143 175.956 176.094 0.009 0.000 1.035 123 V CA 0.212 62.516 62.300 0.007 0.000 1.084 123 V CB 0.476 32.318 31.823 0.032 0.000 0.953 123 V HN 0.124 nan 8.190 nan 0.000 0.483 124 K N 5.416 125.820 120.400 0.007 0.000 2.098 124 K HA 0.370 4.690 4.320 -0.000 0.000 0.261 124 K C -0.112 176.495 176.600 0.012 0.000 0.987 124 K CA -0.742 55.549 56.287 0.007 0.000 0.916 124 K CB 1.095 33.597 32.500 0.003 0.000 1.039 124 K HN 0.640 nan 8.250 nan 0.000 0.455 125 K N 0.121 120.527 120.400 0.010 0.000 2.524 125 K HA -0.087 4.233 4.320 -0.000 0.000 0.279 125 K C 0.858 177.465 176.600 0.011 0.000 0.993 125 K CA 1.218 57.513 56.287 0.012 0.000 1.030 125 K CB 0.170 32.675 32.500 0.009 0.000 0.891 125 K HN 0.941 nan 8.250 nan 0.000 0.488 126 G N 1.789 110.597 108.800 0.013 0.000 2.179 126 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 126 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 126 G C 0.101 175.005 174.900 0.007 0.000 0.977 126 G CA 0.250 45.356 45.100 0.009 0.000 0.641 126 G HN 0.543 nan 8.290 nan 0.000 0.533 127 S N -0.279 115.428 115.700 0.012 0.000 2.564 127 S HA 0.495 4.965 4.470 -0.000 0.000 0.278 127 S C 0.156 174.761 174.600 0.009 0.000 1.333 127 S CA -0.151 58.054 58.200 0.008 0.000 1.048 127 S CB 1.471 64.679 63.200 0.013 0.000 0.900 127 S HN 0.877 nan 8.310 nan 0.000 0.505 128 L N 5.157 126.372 121.223 -0.015 0.000 2.265 128 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 128 L C -1.284 175.558 176.870 -0.047 0.000 1.033 128 L CA 0.077 54.896 54.840 -0.036 0.000 0.814 128 L CB 0.141 42.161 42.059 -0.066 0.000 1.203 128 L HN 0.533 nan 8.230 nan 0.000 0.423 129 L N 6.900 128.101 121.223 -0.037 0.000 2.325 129 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 129 L C -0.713 176.011 176.870 -0.244 0.000 1.004 129 L CA -0.467 54.354 54.840 -0.032 0.000 0.823 129 L CB 1.668 43.850 42.059 0.206 0.000 1.236 129 L HN 0.539 nan 8.230 nan 0.000 0.415 130 I N 2.271 122.696 120.570 -0.241 0.000 2.382 130 I HA 0.233 4.403 4.170 -0.000 0.000 0.286 130 I C -0.750 175.210 176.117 -0.262 0.000 1.002 130 I CA -0.346 60.752 61.300 -0.336 0.000 1.135 130 I CB 2.007 39.855 38.000 -0.253 0.000 1.288 130 I HN 0.504 nan 8.210 nan 0.000 0.448 131 D N 3.768 123.949 120.400 -0.364 0.000 2.373 131 D HA 0.259 4.899 4.640 -0.000 0.000 0.227 131 D C 0.418 176.697 176.300 -0.035 0.000 1.091 131 D CA -0.014 53.935 54.000 -0.085 0.000 0.840 131 D CB 1.396 42.252 40.800 0.093 0.000 1.060 131 D HN 0.319 nan 8.370 nan 0.000 0.502 132 S N 1.197 116.898 115.700 0.001 0.000 2.575 132 S HA 0.074 4.544 4.470 -0.000 0.000 0.215 132 S C 0.384 175.002 174.600 0.031 0.000 0.966 132 S CA -0.399 57.830 58.200 0.049 0.000 0.911 132 S CB 0.108 63.379 63.200 0.117 0.000 0.780 132 S HN 0.490 nan 8.310 nan 0.000 0.514 133 S N 2.301 118.027 115.700 0.044 0.000 2.563 133 S HA 0.081 4.550 4.470 -0.000 0.000 0.284 133 S C 0.320 174.935 174.600 0.025 0.000 1.331 133 S CA 0.104 58.330 58.200 0.044 0.000 1.047 133 S CB 0.496 63.740 63.200 0.074 0.000 0.859 133 S HN 0.243 nan 8.310 nan 0.000 0.514 134 T N 3.668 118.227 114.554 0.008 0.000 2.738 134 T HA 0.547 4.897 4.350 -0.000 0.000 0.298 134 T C 0.236 174.934 174.700 -0.003 0.000 0.962 134 T CA -0.367 61.727 62.100 -0.010 0.000 0.972 134 T CB -0.735 68.117 68.868 -0.027 0.000 0.928 134 T HN 0.576 nan 8.240 nan 0.000 0.474 135 I N -0.807 119.762 120.570 -0.002 0.000 3.279 135 I HA 0.599 4.769 4.170 -0.000 0.000 0.315 135 I C -0.691 175.414 176.117 -0.020 0.000 1.187 135 I CA -1.362 59.935 61.300 -0.005 0.000 0.953 135 I CB 1.769 39.776 38.000 0.012 0.000 1.279 135 I HN 0.208 nan 8.210 nan 0.000 0.465 136 D N 3.064 123.448 120.400 -0.027 0.000 2.487 136 D HA 0.088 4.728 4.640 -0.000 0.000 0.243 136 D C -1.743 174.534 176.300 -0.037 0.000 1.154 136 D CA -0.956 53.022 54.000 -0.037 0.000 0.876 136 D CB 1.649 42.426 40.800 -0.038 0.000 1.161 136 D HN 0.326 nan 8.370 nan 0.000 0.478 137 P HA -0.177 nan 4.420 nan 0.000 0.216 137 P C 0.927 178.198 177.300 -0.048 0.000 1.154 137 P CA 1.758 64.836 63.100 -0.037 0.000 0.865 137 P CB 0.119 31.794 31.700 -0.041 0.000 0.789 138 A N -0.900 121.889 122.820 -0.052 0.000 1.972 138 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 138 A C 2.304 179.839 177.584 -0.083 0.000 1.169 138 A CA 1.640 53.641 52.037 -0.060 0.000 0.635 138 A CB -1.609 17.361 19.000 -0.050 0.000 0.810 138 A HN 0.059 nan 8.150 nan 0.000 0.446 139 V N -0.296 119.569 119.914 -0.083 0.000 2.379 139 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 139 V C 2.737 178.719 176.094 -0.186 0.000 1.044 139 V CA 2.142 64.376 62.300 -0.111 0.000 1.036 139 V CB -0.744 31.033 31.823 -0.077 0.000 0.664 139 V HN 0.550 nan 8.190 nan 0.000 0.453 140 S N -0.215 115.396 115.700 -0.149 0.000 2.370 140 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 140 S C 1.986 176.397 174.600 -0.314 0.000 1.033 140 S CA 1.662 59.742 58.200 -0.200 0.000 1.011 140 S CB -0.276 62.942 63.200 0.029 0.000 0.852 140 S HN 0.601 nan 8.310 nan 0.000 0.457 141 K N 1.056 121.350 120.400 -0.176 0.000 2.026 141 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 141 K C 2.721 179.200 176.600 -0.201 0.000 1.048 141 K CA 1.500 57.696 56.287 -0.151 0.000 0.929 141 K CB -0.436 32.011 32.500 -0.089 0.000 0.713 141 K HN 0.532 nan 8.250 nan 0.000 0.439 142 E N 1.464 121.546 120.200 -0.198 0.000 2.077 142 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 142 E C 1.906 178.345 176.600 -0.269 0.000 0.989 142 E CA 1.294 57.583 56.400 -0.185 0.000 0.800 142 E CB -0.787 28.827 29.700 -0.143 0.000 0.746 142 E HN 0.096 nan 8.360 nan 0.000 0.452 143 L N 0.408 121.373 121.223 -0.430 0.000 2.046 143 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 143 L C 2.906 179.358 176.870 -0.696 0.000 1.077 143 L CA 2.013 56.467 54.840 -0.644 0.000 0.747 143 L CB -0.791 40.643 42.059 -1.042 0.000 0.896 143 L HN 0.420 nan 8.230 nan 0.000 0.432 144 A N -1.053 121.323 122.820 -0.739 0.000 1.908 144 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 144 A C 2.354 179.840 177.584 -0.163 0.000 1.181 144 A CA 1.921 53.734 52.037 -0.374 0.000 0.627 144 A CB -0.471 18.431 19.000 -0.162 0.000 0.818 144 A HN 0.412 nan 8.150 nan 0.000 0.445 145 K N -0.654 119.652 120.400 -0.157 0.000 2.097 145 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 145 K C 2.008 178.562 176.600 -0.076 0.000 1.049 145 K CA 1.339 57.572 56.287 -0.091 0.000 0.933 145 K CB -0.090 32.359 32.500 -0.084 0.000 0.717 145 K HN 0.446 nan 8.250 nan 0.000 0.442 146 E N 0.339 120.475 120.200 -0.107 0.000 2.072 146 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 146 E C 2.168 178.751 176.600 -0.029 0.000 0.982 146 E CA 1.426 57.785 56.400 -0.068 0.000 0.803 146 E CB -0.126 29.526 29.700 -0.080 0.000 0.755 146 E HN 0.247 nan 8.360 nan 0.000 0.453 147 V N -0.880 119.015 119.914 -0.030 0.000 2.626 147 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 147 V C 1.992 178.111 176.094 0.041 0.000 1.067 147 V CA 1.794 64.122 62.300 0.047 0.000 1.081 147 V CB -0.421 31.481 31.823 0.131 0.000 0.686 147 V HN 0.069 nan 8.190 nan 0.000 0.468 148 E N 0.503 120.714 120.200 0.018 0.000 2.072 148 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 148 E C 2.257 178.864 176.600 0.011 0.000 0.985 148 E CA 1.170 57.581 56.400 0.019 0.000 0.801 148 E CB -0.092 29.612 29.700 0.007 0.000 0.750 148 E HN 0.623 nan 8.360 nan 0.000 0.452 149 K N -0.248 120.153 120.400 0.002 0.000 2.152 149 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 149 K C 1.534 178.139 176.600 0.008 0.000 1.048 149 K CA 0.965 57.252 56.287 0.001 0.000 0.933 149 K CB -0.065 32.432 32.500 -0.005 0.000 0.721 149 K HN 0.129 nan 8.250 nan 0.000 0.447 150 M N -0.460 119.150 119.600 0.016 0.000 2.563 150 M HA 0.104 4.584 4.480 -0.000 0.000 0.231 150 M C 0.577 176.891 176.300 0.022 0.000 1.136 150 M CA 0.153 55.466 55.300 0.021 0.000 1.026 150 M CB 0.124 32.742 32.600 0.030 0.000 1.597 150 M HN 0.360 nan 8.290 nan 0.000 0.495 151 G N -0.080 108.732 108.800 0.021 0.000 2.179 151 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.257 151 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.257 151 G C 0.227 175.143 174.900 0.027 0.000 1.010 151 G CA 0.302 45.414 45.100 0.020 0.000 0.736 151 G HN 0.827 nan 8.290 nan 0.000 0.513 152 A N -1.599 121.245 122.820 0.040 0.000 2.309 152 A HA 0.941 5.261 4.320 -0.000 0.000 0.317 152 A C -0.018 177.606 177.584 0.067 0.000 1.134 152 A CA -0.017 52.051 52.037 0.052 0.000 0.866 152 A CB 2.199 21.239 19.000 0.068 0.000 1.329 152 A HN 1.587 nan 8.150 nan 0.000 0.477 153 V N 0.268 120.226 119.914 0.073 0.000 2.495 153 V HA 0.685 4.805 4.120 -0.000 0.000 0.298 153 V C -1.464 174.707 176.094 0.127 0.000 1.031 153 V CA -0.617 61.734 62.300 0.086 0.000 0.871 153 V CB 1.146 32.996 31.823 0.046 0.000 0.988 153 V HN 0.786 nan 8.190 nan 0.000 0.432 154 F N 7.417 127.363 119.950 -0.006 0.000 2.469 154 F HA 0.789 5.316 4.527 -0.000 0.000 0.332 154 F C -0.272 175.520 175.800 -0.014 0.000 1.103 154 F CA -0.679 57.306 58.000 -0.026 0.000 0.979 154 F CB 1.786 40.734 39.000 -0.086 0.000 1.137 154 F HN 0.418 nan 8.300 nan 0.000 0.463 155 M N 5.889 125.116 119.600 -0.621 0.000 2.326 155 M HA 0.243 4.723 4.480 -0.000 0.000 0.292 155 M C -1.546 174.395 176.300 -0.599 0.000 1.081 155 M CA -0.968 54.121 55.300 -0.352 0.000 0.919 155 M CB 2.141 34.654 32.600 -0.146 0.000 1.634 155 M HN 0.533 nan 8.290 nan 0.000 0.451 156 D N 2.283 122.587 120.400 -0.160 0.000 2.277 156 D HA 0.430 5.070 4.640 -0.000 0.000 0.249 156 D C -0.560 175.729 176.300 -0.017 0.000 1.134 156 D CA -0.412 53.558 54.000 -0.051 0.000 0.863 156 D CB 1.733 42.607 40.800 0.124 0.000 1.143 156 D HN 0.674 nan 8.370 nan 0.000 0.458 157 A N 3.722 126.543 122.820 0.002 0.000 3.355 157 A HA 0.361 4.681 4.320 -0.000 0.000 0.290 157 A C -2.617 175.049 177.584 0.136 0.000 0.973 157 A CA -1.137 50.970 52.037 0.118 0.000 0.933 157 A CB 0.580 19.680 19.000 0.167 0.000 1.138 157 A HN 0.437 nan 8.150 nan 0.000 0.490 158 P HA 0.275 nan 4.420 nan 0.000 0.269 158 P C 0.170 177.380 177.300 -0.150 0.000 1.215 158 P CA 0.329 63.404 63.100 -0.042 0.000 0.780 158 P CB 1.330 32.998 31.700 -0.053 0.000 0.898 159 V N -0.477 119.284 119.914 -0.254 0.000 2.547 159 V HA 0.740 4.860 4.120 -0.000 0.000 0.299 159 V C 0.006 175.901 176.094 -0.331 0.000 1.040 159 V CA -0.838 61.194 62.300 -0.447 0.000 0.913 159 V CB 1.303 32.771 31.823 -0.591 0.000 0.992 159 V HN 0.681 nan 8.190 nan 0.000 0.449 160 S N 2.087 117.582 115.700 -0.343 0.000 2.482 160 S HA 0.960 5.430 4.470 -0.000 0.000 0.303 160 S C 0.470 174.903 174.600 -0.279 0.000 1.091 160 S CA 0.133 58.135 58.200 -0.330 0.000 1.057 160 S CB 1.516 64.507 63.200 -0.349 0.000 1.031 160 S HN 2.248 nan 8.310 nan 0.000 0.485 161 G N 0.972 109.620 108.800 -0.253 0.000 3.819 161 G HA2 0.464 4.424 3.960 -0.000 0.000 0.210 161 G HA3 0.464 4.424 3.960 -0.000 0.000 0.210 161 G C 0.722 175.585 174.900 -0.063 0.000 1.018 161 G CA 0.366 45.382 45.100 -0.140 0.000 0.882 161 G HN 2.299 nan 8.290 nan 0.000 0.377 162 G N -1.081 107.683 108.800 -0.059 0.000 2.712 162 G HA2 0.121 4.081 3.960 -0.000 0.000 0.683 162 G HA3 0.121 4.081 3.960 -0.000 0.000 0.683 162 G C 0.897 175.832 174.900 0.058 0.000 1.320 162 G CA 0.078 45.201 45.100 0.038 0.000 0.847 162 G HN 1.216 nan 8.290 nan 0.000 0.553 163 V N 1.366 121.334 119.914 0.090 0.000 2.380 163 V HA -0.116 4.004 4.120 -0.000 0.000 0.251 163 V C 3.153 179.292 176.094 0.075 0.000 1.063 163 V CA 3.532 65.881 62.300 0.081 0.000 1.055 163 V CB -1.279 30.598 31.823 0.089 0.000 0.657 163 V HN 1.578 nan 8.190 nan 0.000 0.455 164 G N -0.479 108.373 108.800 0.086 0.000 2.414 164 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 164 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 164 G C 1.766 176.709 174.900 0.072 0.000 1.188 164 G CA 0.967 46.115 45.100 0.081 0.000 0.783 164 G HN 0.619 nan 8.290 nan 0.000 0.537 165 A N 1.058 123.918 122.820 0.066 0.000 1.930 165 A HA 0.309 4.629 4.320 -0.000 0.000 0.217 165 A C 2.787 180.403 177.584 0.054 0.000 1.175 165 A CA 2.116 54.185 52.037 0.053 0.000 0.627 165 A CB -0.698 18.317 19.000 0.025 0.000 0.815 165 A HN 0.772 nan 8.150 nan 0.000 0.443 166 A N -0.367 122.482 122.820 0.048 0.000 1.902 166 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 166 A C 2.280 179.912 177.584 0.081 0.000 1.181 166 A CA 1.656 53.732 52.037 0.064 0.000 0.623 166 A CB -0.440 18.595 19.000 0.059 0.000 0.818 166 A HN 0.524 nan 8.150 nan 0.000 0.443 167 R N -0.144 120.399 120.500 0.071 0.000 2.062 167 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 167 R C 2.589 178.932 176.300 0.073 0.000 1.128 167 R CA 1.655 57.795 56.100 0.067 0.000 0.960 167 R CB -0.235 30.098 30.300 0.055 0.000 0.855 167 R HN 0.712 nan 8.270 nan 0.000 0.432 168 S N -1.171 114.573 115.700 0.074 0.000 2.489 168 S HA 0.049 4.518 4.470 -0.000 0.000 0.228 168 S C 1.297 175.956 174.600 0.097 0.000 0.995 168 S CA 0.605 58.851 58.200 0.076 0.000 0.934 168 S CB 0.480 63.721 63.200 0.069 0.000 0.771 168 S HN 0.517 nan 8.310 nan 0.000 0.522 169 G N 0.541 109.406 108.800 0.109 0.000 2.171 169 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.238 169 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.238 169 G C 0.220 175.195 174.900 0.125 0.000 1.039 169 G CA 0.280 45.462 45.100 0.136 0.000 0.759 169 G HN 1.104 nan 8.290 nan 0.000 0.501 170 N N -0.251 118.507 118.700 0.098 0.000 2.273 170 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 170 N C 0.865 176.408 175.510 0.054 0.000 1.134 170 N CA 0.382 53.481 53.050 0.081 0.000 0.856 170 N CB 0.184 38.713 38.487 0.071 0.000 1.068 170 N HN 0.561 nan 8.380 nan 0.000 0.510 171 L N 0.495 121.747 121.223 0.048 0.000 2.464 171 L HA 0.296 4.636 4.340 -0.000 0.000 0.264 171 L C 0.403 177.236 176.870 -0.062 0.000 1.199 171 L CA -0.228 54.565 54.840 -0.078 0.000 0.818 171 L CB 1.252 43.169 42.059 -0.237 0.000 1.102 171 L HN 0.150 nan 8.230 nan 0.000 0.473 172 T N 1.678 116.126 114.554 -0.178 0.000 2.767 172 T HA 0.466 4.816 4.350 -0.000 0.000 0.284 172 T C -0.586 173.969 174.700 -0.241 0.000 0.973 172 T CA -0.207 61.832 62.100 -0.102 0.000 0.996 172 T CB 0.291 69.096 68.868 -0.105 0.000 0.927 172 T HN 0.089 nan 8.240 nan 0.000 0.456 173 F N 2.934 122.879 119.950 -0.009 0.000 2.427 173 F HA 0.507 5.034 4.527 -0.000 0.000 0.346 173 F C 0.509 176.318 175.800 0.015 0.000 1.120 173 F CA -1.041 56.957 58.000 -0.004 0.000 1.033 173 F CB 1.230 40.231 39.000 0.002 0.000 1.126 173 F HN 0.266 nan 8.300 nan 0.000 0.462 174 M N 4.775 124.450 119.600 0.125 0.000 2.066 174 M HA 0.468 4.948 4.480 -0.000 0.000 0.340 174 M C -1.224 175.128 176.300 0.088 0.000 1.053 174 M CA -0.634 54.706 55.300 0.065 0.000 0.983 174 M CB 1.372 33.955 32.600 -0.028 0.000 1.520 174 M HN 0.176 nan 8.290 nan 0.000 0.428 175 V N 2.556 122.541 119.914 0.120 0.000 2.384 175 V HA 0.761 4.881 4.120 -0.000 0.000 0.287 175 V C 0.416 176.541 176.094 0.052 0.000 1.020 175 V CA -0.692 61.707 62.300 0.165 0.000 0.850 175 V CB 1.488 33.545 31.823 0.391 0.000 0.987 175 V HN 0.970 nan 8.190 nan 0.000 0.436 176 G N 2.106 110.928 108.800 0.037 0.000 2.432 176 G HA2 0.854 4.814 3.960 -0.000 0.000 0.331 176 G HA3 0.854 4.814 3.960 -0.000 0.000 0.331 176 G C -0.103 174.871 174.900 0.123 0.000 1.170 176 G CA -0.141 44.956 45.100 -0.004 0.000 0.943 176 G HN 1.368 nan 8.290 nan 0.000 0.483 177 G N -1.428 107.474 108.800 0.170 0.000 2.369 177 G HA2 0.349 4.309 3.960 -0.000 0.000 0.295 177 G HA3 0.349 4.309 3.960 -0.000 0.000 0.295 177 G C -0.909 174.146 174.900 0.258 0.000 1.298 177 G CA -0.353 44.867 45.100 0.201 0.000 0.940 177 G HN 1.200 nan 8.290 nan 0.000 0.536 178 V N 1.564 121.574 119.914 0.161 0.000 2.493 178 V HA 0.132 4.252 4.120 -0.000 0.000 0.292 178 V C 1.851 177.982 176.094 0.063 0.000 1.016 178 V CA 1.448 63.814 62.300 0.110 0.000 1.097 178 V CB 0.762 32.622 31.823 0.063 0.000 0.947 178 V HN 0.924 nan 8.190 nan 0.000 0.479 179 E N 2.232 122.409 120.200 -0.040 0.000 2.268 179 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 179 E C 0.934 177.433 176.600 -0.169 0.000 0.995 179 E CA 0.992 57.181 56.400 -0.353 0.000 0.836 179 E CB -0.045 29.281 29.700 -0.623 0.000 0.763 179 E HN 0.705 nan 8.360 nan 0.000 0.491 180 D N 1.385 121.743 120.400 -0.071 0.000 2.182 180 D HA -0.145 4.494 4.640 -0.000 0.000 0.201 180 D C 1.569 177.858 176.300 -0.018 0.000 0.986 180 D CA 0.987 54.966 54.000 -0.036 0.000 0.847 180 D CB 0.023 40.812 40.800 -0.018 0.000 0.942 180 D HN 0.234 nan 8.370 nan 0.000 0.467 181 E N -0.622 119.577 120.200 -0.001 0.000 2.474 181 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 181 E C 1.628 178.230 176.600 0.003 0.000 1.041 181 E CA -0.253 56.146 56.400 -0.001 0.000 0.874 181 E CB -0.150 29.555 29.700 0.007 0.000 0.914 181 E HN 0.321 nan 8.360 nan 0.000 0.498 182 F N 2.195 122.065 119.950 -0.133 0.000 2.102 182 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 182 F C 2.171 177.908 175.800 -0.105 0.000 1.105 182 F CA 1.600 59.523 58.000 -0.129 0.000 1.239 182 F CB -0.250 38.596 39.000 -0.257 0.000 0.991 182 F HN 0.014 nan 8.300 nan 0.000 0.474 183 A N 0.603 123.333 122.820 -0.150 0.000 1.908 183 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 183 A C 2.445 179.884 177.584 -0.241 0.000 1.181 183 A CA 2.151 54.060 52.037 -0.214 0.000 0.627 183 A CB -1.659 17.304 19.000 -0.062 0.000 0.818 183 A HN 0.559 nan 8.150 nan 0.000 0.445 184 A N -0.254 122.463 122.820 -0.171 0.000 1.877 184 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 184 A C 2.532 179.988 177.584 -0.214 0.000 1.186 184 A CA 2.234 54.181 52.037 -0.150 0.000 0.620 184 A CB -1.078 17.862 19.000 -0.099 0.000 0.822 184 A HN 1.125 nan 8.150 nan 0.000 0.443 185 A N -1.293 121.369 122.820 -0.263 0.000 1.902 185 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 185 A C 2.177 179.509 177.584 -0.418 0.000 1.181 185 A CA 1.661 53.512 52.037 -0.310 0.000 0.623 185 A CB -0.546 18.297 19.000 -0.260 0.000 0.818 185 A HN 0.588 nan 8.150 nan 0.000 0.443 186 Q N -0.721 118.737 119.800 -0.569 0.000 2.170 186 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 186 Q C 1.837 177.627 176.000 -0.350 0.000 0.976 186 Q CA 1.258 56.723 55.803 -0.563 0.000 0.858 186 Q CB -0.121 28.175 28.738 -0.736 0.000 0.907 186 Q HN 0.654 nan 8.270 nan 0.000 0.433 187 E N 0.310 120.347 120.200 -0.272 0.000 2.085 187 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 187 E C 2.129 178.614 176.600 -0.191 0.000 0.994 187 E CA 0.934 57.234 56.400 -0.167 0.000 0.801 187 E CB -0.114 29.525 29.700 -0.101 0.000 0.743 187 E HN 0.387 nan 8.360 nan 0.000 0.453 188 L N 0.164 121.217 121.223 -0.284 0.000 2.049 188 L HA -0.119 4.221 4.340 -0.000 0.000 0.203 188 L C 2.610 179.235 176.870 -0.409 0.000 1.074 188 L CA 0.686 55.294 54.840 -0.386 0.000 0.749 188 L CB -0.388 41.438 42.059 -0.388 0.000 0.907 188 L HN 0.082 nan 8.230 nan 0.000 0.439 189 L N -0.365 120.565 121.223 -0.490 0.000 2.141 189 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 189 L C 2.603 179.158 176.870 -0.525 0.000 1.094 189 L CA 1.080 55.470 54.840 -0.750 0.000 0.763 189 L CB -1.119 40.318 42.059 -1.038 0.000 0.908 189 L HN 0.337 nan 8.230 nan 0.000 0.437 190 G N -0.789 107.807 108.800 -0.339 0.000 2.479 190 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 190 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 190 G C 1.440 176.217 174.900 -0.206 0.000 1.115 190 G CA 0.812 45.795 45.100 -0.196 0.000 0.757 190 G HN 0.445 nan 8.290 nan 0.000 0.560 191 C N -0.077 119.035 119.300 -0.314 0.000 2.481 191 C HA 0.319 4.779 4.460 -0.000 0.000 0.275 191 C C 2.499 177.375 174.990 -0.190 0.000 1.419 191 C CA 0.460 59.159 59.018 -0.532 0.000 1.773 191 C CB -0.576 26.871 27.740 -0.488 0.000 1.862 191 C HN 0.468 nan 8.230 nan 0.000 0.530 192 M N -0.429 119.139 119.600 -0.053 0.000 2.304 192 M HA 0.243 4.723 4.480 -0.000 0.000 0.281 192 M C 0.838 177.326 176.300 0.313 0.000 1.014 192 M CA 0.275 55.668 55.300 0.155 0.000 1.054 192 M CB 0.588 33.331 32.600 0.238 0.000 1.551 192 M HN 0.379 nan 8.290 nan 0.000 0.548 193 G N -0.414 108.560 108.800 0.290 0.000 2.660 193 G HA2 0.417 4.377 3.960 -0.000 0.000 0.294 193 G HA3 0.417 4.377 3.960 -0.000 0.000 0.294 193 G C 0.184 175.194 174.900 0.184 0.000 1.369 193 G CA -0.353 44.959 45.100 0.353 0.000 0.912 193 G HN 0.125 nan 8.290 nan 0.000 0.479 194 S N -0.489 115.302 115.700 0.150 0.000 2.470 194 S HA 0.136 4.606 4.470 -0.000 0.000 0.222 194 S C 0.528 175.189 174.600 0.102 0.000 1.024 194 S CA 0.183 58.446 58.200 0.105 0.000 0.931 194 S CB 0.011 63.262 63.200 0.086 0.000 0.791 194 S HN 0.400 nan 8.310 nan 0.000 0.513 195 N N 0.458 119.234 118.700 0.126 0.000 2.346 195 N HA 0.629 5.369 4.740 -0.000 0.000 0.289 195 N C -1.903 173.723 175.510 0.192 0.000 1.027 195 N CA -0.540 52.585 53.050 0.125 0.000 0.864 195 N CB 2.348 40.886 38.487 0.084 0.000 1.370 195 N HN 0.043 nan 8.380 nan 0.000 0.481 196 V N 2.098 122.124 119.914 0.188 0.000 2.409 196 V HA 0.464 4.584 4.120 -0.000 0.000 0.290 196 V C -0.653 175.647 176.094 0.343 0.000 1.017 196 V CA -0.733 61.715 62.300 0.248 0.000 0.841 196 V CB 1.569 33.446 31.823 0.091 0.000 1.003 196 V HN 0.372 nan 8.190 nan 0.000 0.426 197 V N 4.936 125.033 119.914 0.304 0.000 2.448 197 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 197 V C -0.702 175.477 176.094 0.141 0.000 1.025 197 V CA -0.892 61.526 62.300 0.197 0.000 0.859 197 V CB 1.831 33.698 31.823 0.074 0.000 0.988 197 V HN 0.765 nan 8.190 nan 0.000 0.431 198 Y N 3.815 123.926 120.300 -0.316 0.000 2.436 198 Y HA 0.192 4.741 4.550 -0.000 0.000 0.336 198 Y C 0.962 176.711 175.900 -0.252 0.000 1.049 198 Y CA -0.316 57.460 58.100 -0.539 0.000 1.294 198 Y CB 0.922 38.684 38.460 -1.165 0.000 1.179 198 Y HN 0.728 nan 8.280 nan 0.000 0.520 199 C N 4.007 122.878 119.300 -0.716 0.000 2.912 199 C HA 0.626 5.086 4.460 -0.000 0.000 0.274 199 C C 1.145 175.723 174.990 -0.686 0.000 1.248 199 C CA 0.611 59.312 59.018 -0.528 0.000 1.694 199 C CB -1.026 26.544 27.740 -0.283 0.000 2.024 199 C HN 1.217 nan 8.230 nan 0.000 0.605 200 G N 0.311 108.334 108.800 -1.295 0.000 2.265 200 G HA2 0.381 4.341 3.960 -0.000 0.000 0.246 200 G HA3 0.381 4.341 3.960 -0.000 0.000 0.246 200 G C -0.437 174.230 174.900 -0.389 0.000 1.299 200 G CA -0.149 44.491 45.100 -0.766 0.000 1.117 200 G HN 0.628 nan 8.290 nan 0.000 0.485 201 A N -0.693 122.057 122.820 -0.116 0.000 2.346 201 A HA 0.616 4.936 4.320 -0.000 0.000 0.255 201 A C 1.129 178.708 177.584 -0.008 0.000 1.113 201 A CA 0.578 52.615 52.037 -0.000 0.000 0.798 201 A CB -0.083 18.921 19.000 0.006 0.000 1.073 201 A HN 1.920 nan 8.150 nan 0.000 0.502 202 V N 0.571 120.512 119.914 0.045 0.000 2.644 202 V HA 0.365 4.485 4.120 -0.000 0.000 0.305 202 V C 1.669 177.778 176.094 0.024 0.000 1.053 202 V CA 1.614 63.957 62.300 0.072 0.000 1.186 202 V CB -0.309 31.581 31.823 0.113 0.000 0.895 202 V HN 2.024 nan 8.190 nan 0.000 0.490 203 G N 3.556 112.375 108.800 0.031 0.000 2.234 203 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.235 203 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.235 203 G C 0.929 175.808 174.900 -0.035 0.000 0.997 203 G CA 0.861 45.960 45.100 -0.002 0.000 0.623 203 G HN 1.110 nan 8.290 nan 0.000 0.514 204 T N -1.025 113.492 114.554 -0.061 0.000 2.951 204 T HA 0.243 4.593 4.350 -0.000 0.000 0.268 204 T C 2.449 177.089 174.700 -0.100 0.000 1.073 204 T CA 1.807 63.846 62.100 -0.101 0.000 1.134 204 T CB -0.505 68.263 68.868 -0.167 0.000 0.884 204 T HN 1.228 nan 8.240 nan 0.000 0.479 205 G N 1.324 110.080 108.800 -0.074 0.000 2.433 205 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 205 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 205 G C 1.734 176.603 174.900 -0.051 0.000 1.186 205 G CA 0.549 45.618 45.100 -0.052 0.000 0.779 205 G HN 0.404 nan 8.290 nan 0.000 0.543 206 Q N 0.667 120.447 119.800 -0.035 0.000 2.096 206 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 206 Q C 2.975 178.938 176.000 -0.062 0.000 0.982 206 Q CA 1.583 57.362 55.803 -0.041 0.000 0.850 206 Q CB -0.878 27.846 28.738 -0.023 0.000 0.901 206 Q HN 0.450 nan 8.270 nan 0.000 0.422 207 A N 1.218 124.000 122.820 -0.063 0.000 1.877 207 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 207 A C 2.382 179.917 177.584 -0.082 0.000 1.186 207 A CA 2.170 54.165 52.037 -0.071 0.000 0.620 207 A CB -0.796 18.162 19.000 -0.069 0.000 0.822 207 A HN 0.385 nan 8.150 nan 0.000 0.443 208 A N 0.117 122.883 122.820 -0.090 0.000 1.902 208 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 208 A C 2.083 179.599 177.584 -0.113 0.000 1.181 208 A CA 2.433 54.410 52.037 -0.099 0.000 0.623 208 A CB -0.458 18.481 19.000 -0.102 0.000 0.818 208 A HN 0.578 nan 8.150 nan 0.000 0.443 209 K N 0.171 120.502 120.400 -0.115 0.000 2.026 209 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 209 K C 1.626 178.137 176.600 -0.148 0.000 1.048 209 K CA 1.816 58.017 56.287 -0.144 0.000 0.929 209 K CB -0.549 31.870 32.500 -0.135 0.000 0.713 209 K HN 0.438 nan 8.250 nan 0.000 0.439 210 I N 0.529 121.028 120.570 -0.118 0.000 2.226 210 I HA -0.356 3.814 4.170 -0.000 0.000 0.245 210 I C 2.156 178.207 176.117 -0.110 0.000 1.100 210 I CA 1.095 62.329 61.300 -0.111 0.000 1.374 210 I CB -0.247 37.699 38.000 -0.091 0.000 1.057 210 I HN 0.343 nan 8.210 nan 0.000 0.413 211 C N 0.075 119.314 119.300 -0.102 0.000 2.466 211 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 211 C C 2.620 177.547 174.990 -0.105 0.000 1.288 211 C CA 1.149 60.113 59.018 -0.090 0.000 1.722 211 C CB -1.465 26.229 27.740 -0.077 0.000 2.017 211 C HN 0.579 nan 8.230 nan 0.000 0.488 212 N N 1.607 120.226 118.700 -0.135 0.000 2.043 212 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 212 N C 1.335 176.727 175.510 -0.197 0.000 1.037 212 N CA 1.920 54.867 53.050 -0.171 0.000 0.851 212 N CB -0.261 38.097 38.487 -0.215 0.000 1.027 212 N HN 0.378 nan 8.380 nan 0.000 0.422 213 N N -0.116 118.452 118.700 -0.220 0.000 2.223 213 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 213 N C 1.585 177.001 175.510 -0.156 0.000 1.016 213 N CA 0.732 53.636 53.050 -0.243 0.000 0.863 213 N CB -0.259 38.072 38.487 -0.259 0.000 0.983 213 N HN 0.403 nan 8.380 nan 0.000 0.429 214 M N -0.209 119.325 119.600 -0.110 0.000 2.086 214 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 214 M C 1.803 178.091 176.300 -0.020 0.000 1.067 214 M CA 1.367 56.634 55.300 -0.055 0.000 1.116 214 M CB -0.094 32.477 32.600 -0.049 0.000 1.348 214 M HN 0.174 nan 8.290 nan 0.000 0.407 215 L N 0.820 122.020 121.223 -0.037 0.000 2.046 215 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 215 L C 2.128 179.008 176.870 0.017 0.000 1.077 215 L CA 1.555 56.390 54.840 -0.009 0.000 0.747 215 L CB -1.080 40.962 42.059 -0.028 0.000 0.896 215 L HN 0.425 nan 8.230 nan 0.000 0.432 216 L N 0.217 121.420 121.223 -0.034 0.000 1.990 216 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 216 L C 2.508 179.473 176.870 0.158 0.000 1.072 216 L CA 2.377 57.224 54.840 0.013 0.000 0.755 216 L CB -1.359 40.598 42.059 -0.170 0.000 0.889 216 L HN 0.280 nan 8.230 nan 0.000 0.432 217 A N -0.238 122.649 122.820 0.111 0.000 1.877 217 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 217 A C 2.299 180.057 177.584 0.291 0.000 1.186 217 A CA 2.205 54.394 52.037 0.254 0.000 0.620 217 A CB -0.987 18.109 19.000 0.161 0.000 0.822 217 A HN 0.557 nan 8.150 nan 0.000 0.443 218 I N -0.045 120.634 120.570 0.182 0.000 2.163 218 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 218 I C 2.649 178.860 176.117 0.157 0.000 1.085 218 I CA 1.703 63.094 61.300 0.151 0.000 1.347 218 I CB -0.257 37.801 38.000 0.097 0.000 1.044 218 I HN 0.250 nan 8.210 nan 0.000 0.408 219 S N 0.156 115.953 115.700 0.162 0.000 2.387 219 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 219 S C 1.865 176.589 174.600 0.206 0.000 1.026 219 S CA 1.172 59.471 58.200 0.165 0.000 0.972 219 S CB -0.243 63.053 63.200 0.160 0.000 0.814 219 S HN 0.319 nan 8.310 nan 0.000 0.477 220 M N 2.157 121.928 119.600 0.284 0.000 2.086 220 M HA 0.041 4.521 4.480 -0.000 0.000 0.261 220 M C 1.688 178.133 176.300 0.242 0.000 1.067 220 M CA 1.521 57.007 55.300 0.309 0.000 1.116 220 M CB -0.729 32.158 32.600 0.478 0.000 1.348 220 M HN 0.251 nan 8.290 nan 0.000 0.407 221 I N -0.454 120.264 120.570 0.247 0.000 2.226 221 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 221 I C 2.408 178.604 176.117 0.132 0.000 1.100 221 I CA 1.335 62.731 61.300 0.160 0.000 1.374 221 I CB -1.336 36.741 38.000 0.127 0.000 1.057 221 I HN 0.496 nan 8.210 nan 0.000 0.413 222 G N 0.447 109.325 108.800 0.131 0.000 2.446 222 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 222 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 222 G C 1.655 176.616 174.900 0.101 0.000 1.168 222 G CA 1.551 46.713 45.100 0.104 0.000 0.771 222 G HN 0.305 nan 8.290 nan 0.000 0.551 223 T N 1.799 116.421 114.554 0.112 0.000 2.684 223 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 223 T C 2.825 177.583 174.700 0.097 0.000 1.036 223 T CA 1.740 63.894 62.100 0.090 0.000 1.148 223 T CB -0.513 68.408 68.868 0.089 0.000 0.863 223 T HN 0.397 nan 8.240 nan 0.000 0.436 224 A N 1.589 124.497 122.820 0.147 0.000 1.883 224 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 224 A C 2.241 179.982 177.584 0.261 0.000 1.186 224 A CA 1.872 54.068 52.037 0.264 0.000 0.624 224 A CB -0.634 18.531 19.000 0.274 0.000 0.822 224 A HN 0.587 nan 8.150 nan 0.000 0.444 225 E N -0.591 119.701 120.200 0.152 0.000 2.051 225 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 225 E C 2.361 179.021 176.600 0.100 0.000 0.991 225 E CA 0.964 57.428 56.400 0.105 0.000 0.799 225 E CB -0.258 29.484 29.700 0.071 0.000 0.748 225 E HN 0.626 nan 8.360 nan 0.000 0.449 226 A N 1.038 123.912 122.820 0.089 0.000 1.897 226 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 226 A C 2.143 179.770 177.584 0.072 0.000 1.181 226 A CA 1.048 53.126 52.037 0.067 0.000 0.620 226 A CB -0.250 18.781 19.000 0.052 0.000 0.821 226 A HN 0.108 nan 8.150 nan 0.000 0.443 227 M N -0.167 119.480 119.600 0.079 0.000 2.086 227 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 227 M C 1.986 178.393 176.300 0.178 0.000 1.067 227 M CA 1.923 57.259 55.300 0.061 0.000 1.116 227 M CB -1.673 30.878 32.600 -0.081 0.000 1.348 227 M HN 0.602 nan 8.290 nan 0.000 0.407 228 N N 0.812 119.703 118.700 0.318 0.000 2.120 228 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 228 N C 1.567 177.154 175.510 0.128 0.000 1.024 228 N CA 1.055 54.283 53.050 0.296 0.000 0.852 228 N CB -0.214 38.383 38.487 0.184 0.000 1.003 228 N HN 0.163 nan 8.380 nan 0.000 0.424 229 L N 0.277 121.554 121.223 0.089 0.000 2.012 229 L HA 0.056 4.396 4.340 -0.000 0.000 0.210 229 L C 2.114 179.014 176.870 0.049 0.000 1.073 229 L CA 2.233 57.104 54.840 0.051 0.000 0.748 229 L CB -1.294 40.789 42.059 0.041 0.000 0.891 229 L HN 0.265 nan 8.230 nan 0.000 0.431 230 G N -0.179 108.655 108.800 0.056 0.000 2.446 230 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 230 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 230 G C 1.632 176.559 174.900 0.045 0.000 1.168 230 G CA 1.363 46.488 45.100 0.042 0.000 0.771 230 G HN 0.500 nan 8.290 nan 0.000 0.551 231 I N 0.259 120.870 120.570 0.068 0.000 2.226 231 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 231 I C 2.978 179.125 176.117 0.051 0.000 1.100 231 I CA 1.064 62.406 61.300 0.070 0.000 1.374 231 I CB -0.189 37.883 38.000 0.121 0.000 1.057 231 I HN 0.074 nan 8.210 nan 0.000 0.413 232 R N 0.449 120.978 120.500 0.048 0.000 2.189 232 R HA -0.053 4.287 4.340 -0.000 0.000 0.223 232 R C 2.026 178.337 176.300 0.019 0.000 1.092 232 R CA 0.928 57.044 56.100 0.026 0.000 0.989 232 R CB -0.247 30.063 30.300 0.015 0.000 0.876 232 R HN 0.367 nan 8.270 nan 0.000 0.457 233 L N -0.391 120.845 121.223 0.022 0.000 2.599 233 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 233 L C 0.981 177.860 176.870 0.015 0.000 1.141 233 L CA 0.501 55.351 54.840 0.017 0.000 0.877 233 L CB 0.280 42.349 42.059 0.017 0.000 1.009 233 L HN 0.486 nan 8.230 nan 0.000 0.447 234 G N -0.064 108.747 108.800 0.018 0.000 2.134 234 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 234 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 234 G C 0.029 174.938 174.900 0.015 0.000 0.993 234 G CA -0.487 44.622 45.100 0.016 0.000 0.669 234 G HN 0.156 nan 8.290 nan 0.000 0.519 235 L N 0.740 121.974 121.223 0.018 0.000 2.350 235 L HA 0.464 4.804 4.340 -0.000 0.000 0.275 235 L C 0.589 177.468 176.870 0.014 0.000 1.099 235 L CA -0.763 54.085 54.840 0.014 0.000 0.808 235 L CB 1.053 43.120 42.059 0.013 0.000 1.149 235 L HN 0.230 nan 8.230 nan 0.000 0.442 236 D N 4.004 124.409 120.400 0.007 0.000 2.417 236 D HA 0.060 4.699 4.640 -0.000 0.000 0.250 236 D C -1.405 174.892 176.300 -0.005 0.000 1.166 236 D CA -1.137 52.865 54.000 0.002 0.000 0.881 236 D CB 1.154 41.953 40.800 -0.003 0.000 1.164 236 D HN 0.226 nan 8.370 nan 0.000 0.467 237 P HA -0.203 nan 4.420 nan 0.000 0.215 237 P C 1.103 178.374 177.300 -0.048 0.000 1.153 237 P CA 1.063 64.142 63.100 -0.034 0.000 0.853 237 P CB 0.219 31.889 31.700 -0.050 0.000 0.788 238 K N -0.454 119.921 120.400 -0.042 0.000 2.057 238 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 238 K C 2.221 178.801 176.600 -0.033 0.000 1.049 238 K CA 0.930 57.191 56.287 -0.043 0.000 0.931 238 K CB -0.930 31.548 32.500 -0.037 0.000 0.714 238 K HN 0.119 nan 8.250 nan 0.000 0.440 239 L N 1.158 122.367 121.223 -0.023 0.000 2.017 239 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 239 L C 2.245 179.105 176.870 -0.016 0.000 1.073 239 L CA 1.273 56.103 54.840 -0.016 0.000 0.745 239 L CB -0.443 41.610 42.059 -0.010 0.000 0.894 239 L HN 0.063 nan 8.230 nan 0.000 0.432 240 L N -0.052 121.161 121.223 -0.017 0.000 2.056 240 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 240 L C 2.535 179.392 176.870 -0.022 0.000 1.078 240 L CA 1.978 56.809 54.840 -0.014 0.000 0.749 240 L CB -1.059 40.993 42.059 -0.010 0.000 0.901 240 L HN 0.298 nan 8.230 nan 0.000 0.433 241 A N -0.464 122.333 122.820 -0.037 0.000 1.908 241 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 241 A C 2.467 180.032 177.584 -0.031 0.000 1.181 241 A CA 2.100 54.111 52.037 -0.044 0.000 0.627 241 A CB -0.707 18.253 19.000 -0.067 0.000 0.818 241 A HN 0.504 nan 8.150 nan 0.000 0.445 242 K N -0.433 119.951 120.400 -0.028 0.000 2.032 242 K HA -0.163 4.156 4.320 -0.000 0.000 0.209 242 K C 1.873 178.466 176.600 -0.012 0.000 1.048 242 K CA 1.875 58.150 56.287 -0.020 0.000 0.927 242 K CB -0.342 32.147 32.500 -0.018 0.000 0.712 242 K HN 0.504 nan 8.250 nan 0.000 0.441 243 I N 1.253 121.817 120.570 -0.009 0.000 2.179 243 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 243 I C 2.231 178.348 176.117 0.000 0.000 1.088 243 I CA 1.030 62.328 61.300 -0.003 0.000 1.357 243 I CB -0.170 37.829 38.000 -0.001 0.000 1.051 243 I HN 0.160 nan 8.210 nan 0.000 0.409 244 L N 0.399 121.621 121.223 -0.001 0.000 2.042 244 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 244 L C 1.877 178.751 176.870 0.007 0.000 1.076 244 L CA 1.307 56.150 54.840 0.005 0.000 0.749 244 L CB -0.774 41.288 42.059 0.003 0.000 0.893 244 L HN 0.342 nan 8.230 nan 0.000 0.432 245 N N 0.126 118.826 118.700 -0.001 0.000 2.521 245 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 245 N C 1.509 177.021 175.510 0.004 0.000 1.146 245 N CA 0.810 53.860 53.050 -0.000 0.000 0.893 245 N CB 0.145 38.625 38.487 -0.013 0.000 0.975 245 N HN 0.545 nan 8.380 nan 0.000 0.451 246 M N -2.821 116.781 119.600 0.004 0.000 2.346 246 M HA 0.356 4.836 4.480 -0.000 0.000 0.280 246 M C -0.257 176.049 176.300 0.009 0.000 1.075 246 M CA -0.092 55.211 55.300 0.006 0.000 0.989 246 M CB 0.621 33.223 32.600 0.003 0.000 1.447 246 M HN -0.275 nan 8.290 nan 0.000 0.511 247 S N 0.443 116.150 115.700 0.012 0.000 2.823 247 S HA 0.401 4.871 4.470 -0.000 0.000 0.316 247 S C 0.914 175.525 174.600 0.019 0.000 1.116 247 S CA -0.178 58.030 58.200 0.014 0.000 0.911 247 S CB 1.759 64.966 63.200 0.013 0.000 1.276 247 S HN 0.448 nan 8.310 nan 0.000 0.565 248 S N 0.204 115.915 115.700 0.019 0.000 2.507 248 S HA 0.010 4.480 4.470 -0.000 0.000 0.235 248 S C 1.588 176.205 174.600 0.028 0.000 0.988 248 S CA 0.735 58.949 58.200 0.023 0.000 0.944 248 S CB -0.751 62.461 63.200 0.020 0.000 0.762 248 S HN 0.852 nan 8.310 nan 0.000 0.526 249 G N 1.145 109.962 108.800 0.028 0.000 2.650 249 G HA2 0.008 3.968 3.960 -0.000 0.000 0.214 249 G HA3 0.008 3.968 3.960 -0.000 0.000 0.214 249 G C 0.592 175.517 174.900 0.041 0.000 1.136 249 G CA -0.605 44.516 45.100 0.035 0.000 0.789 249 G HN 0.507 nan 8.290 nan 0.000 0.536 250 R N 0.403 120.925 120.500 0.037 0.000 2.537 250 R HA 0.247 4.587 4.340 -0.000 0.000 0.281 250 R C -0.151 176.189 176.300 0.066 0.000 0.988 250 R CA 0.566 56.691 56.100 0.042 0.000 1.077 250 R CB -0.269 30.052 30.300 0.035 0.000 0.932 250 R HN 0.377 nan 8.270 nan 0.000 0.409 251 C N 1.692 121.042 119.300 0.084 0.000 3.323 251 C HA 0.374 4.834 4.460 -0.000 0.000 0.324 251 C C 1.071 176.171 174.990 0.183 0.000 1.428 251 C CA -1.405 57.696 59.018 0.139 0.000 1.368 251 C CB 0.088 27.918 27.740 0.150 0.000 1.731 251 C HN 1.130 nan 8.230 nan 0.000 0.455 252 W N 1.553 122.879 121.300 0.043 0.000 2.338 252 W HA -0.084 4.576 4.660 0.000 0.000 0.304 252 W C 2.299 178.873 176.519 0.092 0.000 1.212 252 W CA 2.696 60.074 57.345 0.054 0.000 1.264 252 W CB -0.350 29.128 29.460 0.030 0.000 1.142 252 W HN 0.761 nan 8.180 nan 0.000 0.512 253 S N -0.054 115.866 115.700 0.367 0.000 2.365 253 S HA -0.291 4.179 4.470 -0.000 0.000 0.225 253 S C 2.022 176.642 174.600 0.034 0.000 1.039 253 S CA 2.230 60.564 58.200 0.224 0.000 1.033 253 S CB -0.934 62.442 63.200 0.293 0.000 0.887 253 S HN 0.503 nan 8.310 nan 0.000 0.447 254 S N 1.802 117.521 115.700 0.033 0.000 2.425 254 S HA -0.070 4.400 4.470 -0.000 0.000 0.225 254 S C 1.339 175.900 174.600 -0.065 0.000 1.024 254 S CA 1.073 59.263 58.200 -0.016 0.000 0.951 254 S CB -0.311 62.895 63.200 0.009 0.000 0.796 254 S HN 0.657 nan 8.310 nan 0.000 0.498 255 D N 0.116 120.471 120.400 -0.075 0.000 2.389 255 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 255 D C 1.232 177.431 176.300 -0.168 0.000 1.055 255 D CA 0.667 54.611 54.000 -0.093 0.000 0.856 255 D CB -0.307 40.468 40.800 -0.042 0.000 0.957 255 D HN 0.406 nan 8.370 nan 0.000 0.509 256 T N -1.903 112.463 114.554 -0.314 0.000 2.966 256 T HA 0.124 4.474 4.350 -0.000 0.000 0.254 256 T C -0.375 174.056 174.700 -0.449 0.000 0.961 256 T CA -0.124 61.701 62.100 -0.457 0.000 0.915 256 T CB 0.488 68.849 68.868 -0.846 0.000 1.186 256 T HN 0.132 nan 8.240 nan 0.000 0.505 257 Y N 2.096 122.028 120.300 -0.613 0.000 2.810 257 Y HA 0.377 4.927 4.550 -0.000 0.000 0.255 257 Y C 0.044 175.781 175.900 -0.272 0.000 0.979 257 Y CA -1.016 56.790 58.100 -0.490 0.000 1.106 257 Y CB 0.244 38.237 38.460 -0.780 0.000 1.209 257 Y HN -0.012 nan 8.280 nan 0.000 0.646 258 N N 3.251 121.845 118.700 -0.177 0.000 2.411 258 N HA -0.002 4.738 4.740 -0.000 0.000 0.261 258 N C -1.875 173.545 175.510 -0.150 0.000 1.248 258 N CA -0.377 52.588 53.050 -0.142 0.000 0.885 258 N CB 1.306 39.700 38.487 -0.155 0.000 1.062 258 N HN 0.223 nan 8.380 nan 0.000 0.471 259 P HA -0.002 nan 4.420 nan 0.000 0.245 259 P C -0.055 177.185 177.300 -0.101 0.000 1.212 259 P CA 0.318 63.422 63.100 0.008 0.000 0.774 259 P CB 0.357 32.111 31.700 0.089 0.000 0.999 260 V N 2.750 122.440 119.914 -0.373 0.000 2.383 260 V HA 0.255 4.375 4.120 -0.000 0.000 0.275 260 V C -2.234 173.731 176.094 -0.215 0.000 1.036 260 V CA -2.148 59.835 62.300 -0.528 0.000 0.889 260 V CB 0.882 32.289 31.823 -0.693 0.000 0.985 260 V HN -0.061 nan 8.190 nan 0.000 0.459 261 P HA 0.245 nan 4.420 nan 0.000 0.264 261 P C 1.009 178.261 177.300 -0.079 0.000 1.193 261 P CA 1.235 64.278 63.100 -0.095 0.000 0.763 261 P CB 0.714 32.400 31.700 -0.023 0.000 0.810 262 G N 1.250 109.992 108.800 -0.097 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 0.959 175.808 174.900 -0.085 0.000 0.997 262 G CA 0.212 45.266 45.100 -0.075 0.000 0.623 262 G HN 0.408 nan 8.290 nan 0.000 0.514 263 V N 0.705 120.553 119.914 -0.111 0.000 2.346 263 V HA 0.342 4.462 4.120 -0.000 0.000 0.244 263 V C 1.554 177.584 176.094 -0.107 0.000 1.037 263 V CA 2.260 64.494 62.300 -0.110 0.000 1.029 263 V CB -0.125 31.616 31.823 -0.136 0.000 0.663 263 V HN 0.469 nan 8.190 nan 0.000 0.454 264 M N -0.482 119.041 119.600 -0.129 0.000 2.535 264 M HA 0.402 4.882 4.480 -0.000 0.000 0.314 264 M C -1.089 175.134 176.300 -0.128 0.000 1.153 264 M CA -0.656 54.568 55.300 -0.126 0.000 0.924 264 M CB 2.114 34.622 32.600 -0.154 0.000 1.710 264 M HN 0.044 nan 8.290 nan 0.000 0.451 265 D N 0.477 120.814 120.400 -0.105 0.000 2.354 265 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 265 D C 0.949 177.182 176.300 -0.113 0.000 1.138 265 D CA 0.845 54.785 54.000 -0.100 0.000 0.958 265 D CB 1.191 41.948 40.800 -0.071 0.000 1.144 265 D HN 0.909 nan 8.370 nan 0.000 0.458 266 G N -0.571 108.165 108.800 -0.107 0.000 2.153 266 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.252 266 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.252 266 G C 0.216 175.031 174.900 -0.142 0.000 0.994 266 G CA 0.685 45.727 45.100 -0.096 0.000 0.698 266 G HN 0.659 nan 8.290 nan 0.000 0.521 267 V N -4.521 115.258 119.914 -0.224 0.000 3.001 267 V HA 0.850 4.970 4.120 -0.000 0.000 0.314 267 V C -1.012 174.870 176.094 -0.353 0.000 1.099 267 V CA -1.649 60.420 62.300 -0.385 0.000 0.989 267 V CB 1.810 33.331 31.823 -0.504 0.000 1.040 267 V HN -0.065 nan 8.190 nan 0.000 0.434 268 P HA -0.136 nan 4.420 nan 0.000 0.217 268 P C 1.866 178.903 177.300 -0.439 0.000 1.148 268 P CA 2.208 65.152 63.100 -0.259 0.000 0.828 268 P CB 0.054 31.697 31.700 -0.095 0.000 0.783 269 S N -0.695 114.670 115.700 -0.558 0.000 2.469 269 S HA -0.096 4.374 4.470 -0.000 0.000 0.238 269 S C 1.936 176.235 174.600 -0.503 0.000 0.998 269 S CA 1.034 58.745 58.200 -0.817 0.000 0.957 269 S CB -1.196 61.752 63.200 -0.419 0.000 0.764 269 S HN 0.134 nan 8.310 nan 0.000 0.514 270 A N 1.442 124.059 122.820 -0.339 0.000 2.167 270 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 270 A C 1.590 179.063 177.584 -0.184 0.000 1.151 270 A CA 1.008 52.914 52.037 -0.219 0.000 0.735 270 A CB -0.445 18.451 19.000 -0.173 0.000 0.802 270 A HN 0.571 nan 8.150 nan 0.000 0.467 271 N N -0.600 117.968 118.700 -0.220 0.000 2.588 271 N HA 0.047 4.787 4.740 -0.000 0.000 0.298 271 N C -0.101 175.332 175.510 -0.127 0.000 1.718 271 N CA 0.126 53.095 53.050 -0.136 0.000 0.888 271 N CB -0.472 37.958 38.487 -0.095 0.000 1.389 271 N HN 0.167 nan 8.380 nan 0.000 0.491 272 N N 0.939 119.528 118.700 -0.185 0.000 2.735 272 N HA -0.282 4.458 4.740 -0.000 0.000 0.248 272 N C -1.026 174.529 175.510 0.075 0.000 1.083 272 N CA 1.195 54.209 53.050 -0.060 0.000 0.703 272 N CB -1.902 36.606 38.487 0.036 0.000 1.005 272 N HN 0.498 nan 8.380 nan 0.000 0.550 273 Y N -3.125 117.199 120.300 0.041 0.000 4.079 273 Y HA -0.352 4.198 4.550 -0.000 0.000 0.223 273 Y C 0.778 176.721 175.900 0.071 0.000 1.155 273 Y CA 1.176 59.314 58.100 0.063 0.000 1.805 273 Y CB -2.109 36.419 38.460 0.113 0.000 1.571 273 Y HN 0.433 nan 8.280 nan 0.000 0.654 274 Q N 0.417 120.284 119.800 0.111 0.000 2.373 274 Q HA 0.406 4.746 4.340 -0.000 0.000 0.255 274 Q C 1.323 177.388 176.000 0.108 0.000 0.980 274 Q CA 0.492 56.354 55.803 0.099 0.000 0.882 274 Q CB 1.126 29.896 28.738 0.054 0.000 1.249 274 Q HN 0.489 nan 8.270 nan 0.000 0.438 275 G N 1.143 110.014 108.800 0.118 0.000 2.547 275 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.271 275 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.271 275 G C 0.504 175.528 174.900 0.207 0.000 1.209 275 G CA -0.255 44.926 45.100 0.135 0.000 0.959 275 G HN 1.438 nan 8.290 nan 0.000 0.563 276 G N -1.095 107.853 108.800 0.245 0.000 2.566 276 G HA2 0.170 4.130 3.960 -0.000 0.000 0.280 276 G HA3 0.170 4.130 3.960 -0.000 0.000 0.280 276 G C 0.133 175.304 174.900 0.451 0.000 1.225 276 G CA 0.905 46.245 45.100 0.401 0.000 0.966 276 G HN 2.187 nan 8.290 nan 0.000 0.560 277 F N 3.226 123.420 119.950 0.408 0.000 2.361 277 F HA 0.621 5.148 4.527 -0.000 0.000 0.364 277 F C 0.960 176.932 175.800 0.288 0.000 1.117 277 F CA -0.289 57.869 58.000 0.263 0.000 1.071 277 F CB 0.736 39.816 39.000 0.134 0.000 1.188 277 F HN 0.898 nan 8.300 nan 0.000 0.464 278 G N 3.902 112.568 108.800 -0.223 0.000 2.380 278 G HA2 0.115 4.075 3.960 -0.000 0.000 0.242 278 G HA3 0.115 4.075 3.960 -0.000 0.000 0.242 278 G C 0.833 175.540 174.900 -0.322 0.000 1.298 278 G CA -0.004 44.986 45.100 -0.182 0.000 0.878 278 G HN 0.777 nan 8.290 nan 0.000 0.542 279 T N 2.085 116.610 114.554 -0.050 0.000 2.737 279 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 279 T C 2.724 177.364 174.700 -0.100 0.000 1.040 279 T CA 2.082 64.186 62.100 0.006 0.000 1.142 279 T CB -0.232 68.740 68.868 0.172 0.000 0.861 279 T HN 0.558 nan 8.240 nan 0.000 0.456 280 T N 2.185 116.678 114.554 -0.103 0.000 2.788 280 T HA 0.040 4.390 4.350 -0.000 0.000 0.268 280 T C 1.928 176.519 174.700 -0.183 0.000 1.044 280 T CA 0.838 62.878 62.100 -0.099 0.000 1.139 280 T CB -0.330 68.500 68.868 -0.062 0.000 0.867 280 T HN 0.299 nan 8.240 nan 0.000 0.454 281 L N 0.025 121.041 121.223 -0.345 0.000 2.044 281 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 281 L C 2.623 179.233 176.870 -0.434 0.000 1.075 281 L CA 0.986 55.571 54.840 -0.425 0.000 0.747 281 L CB -0.561 41.111 42.059 -0.645 0.000 0.903 281 L HN 0.278 nan 8.230 nan 0.000 0.435 282 M N 0.808 119.992 119.600 -0.692 0.000 2.073 282 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 282 M C 2.332 178.470 176.300 -0.269 0.000 1.070 282 M CA 2.231 57.270 55.300 -0.434 0.000 1.103 282 M CB -0.670 31.521 32.600 -0.680 0.000 1.321 282 M HN 0.170 nan 8.290 nan 0.000 0.405 283 A N 0.154 122.860 122.820 -0.191 0.000 1.908 283 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 283 A C 2.324 179.894 177.584 -0.025 0.000 1.181 283 A CA 2.230 54.261 52.037 -0.010 0.000 0.627 283 A CB -0.984 18.054 19.000 0.063 0.000 0.818 283 A HN 0.644 nan 8.150 nan 0.000 0.445 284 K N -0.394 119.968 120.400 -0.064 0.000 2.009 284 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 284 K C 1.394 177.944 176.600 -0.083 0.000 1.049 284 K CA 2.025 58.278 56.287 -0.057 0.000 0.929 284 K CB -0.433 32.035 32.500 -0.053 0.000 0.714 284 K HN 0.372 nan 8.250 nan 0.000 0.440 285 D N 0.956 121.307 120.400 -0.081 0.000 2.149 285 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 285 D C 2.035 178.249 176.300 -0.144 0.000 0.990 285 D CA 0.948 54.895 54.000 -0.088 0.000 0.839 285 D CB -0.143 40.625 40.800 -0.052 0.000 0.948 285 D HN 0.256 nan 8.370 nan 0.000 0.460 286 L N 0.195 121.313 121.223 -0.174 0.000 2.217 286 L HA 0.009 4.348 4.340 -0.000 0.000 0.211 286 L C 2.506 179.030 176.870 -0.576 0.000 1.107 286 L CA 0.967 55.650 54.840 -0.262 0.000 0.783 286 L CB -0.465 41.518 42.059 -0.126 0.000 0.919 286 L HN 0.066 nan 8.230 nan 0.000 0.442 287 G N 0.225 108.709 108.800 -0.527 0.000 2.422 287 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 287 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 287 G C 1.611 176.366 174.900 -0.241 0.000 1.146 287 G CA 0.552 45.385 45.100 -0.445 0.000 0.769 287 G HN 0.232 nan 8.290 nan 0.000 0.547 288 L N 0.530 121.650 121.223 -0.173 0.000 2.056 288 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 288 L C 3.418 180.217 176.870 -0.118 0.000 1.078 288 L CA 0.913 55.684 54.840 -0.115 0.000 0.749 288 L CB -0.435 41.571 42.059 -0.089 0.000 0.901 288 L HN 0.297 nan 8.230 nan 0.000 0.433 289 A N -0.252 122.481 122.820 -0.145 0.000 1.883 289 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 289 A C 2.216 179.739 177.584 -0.102 0.000 1.186 289 A CA 2.060 54.028 52.037 -0.116 0.000 0.624 289 A CB -0.604 18.327 19.000 -0.116 0.000 0.822 289 A HN 0.406 nan 8.150 nan 0.000 0.444 290 Q N -0.166 119.542 119.800 -0.154 0.000 2.061 290 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 290 Q C 1.477 177.453 176.000 -0.039 0.000 0.984 290 Q CA 2.147 57.903 55.803 -0.078 0.000 0.846 290 Q CB -0.246 28.449 28.738 -0.072 0.000 0.902 290 Q HN 0.617 nan 8.270 nan 0.000 0.421 291 D N -0.859 119.508 120.400 -0.055 0.000 2.117 291 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 291 D C 1.920 178.202 176.300 -0.031 0.000 0.987 291 D CA 1.386 55.368 54.000 -0.031 0.000 0.829 291 D CB -0.271 40.508 40.800 -0.034 0.000 0.961 291 D HN 0.164 nan 8.370 nan 0.000 0.460 292 S N -0.019 115.655 115.700 -0.043 0.000 2.402 292 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 292 S C 1.996 176.577 174.600 -0.030 0.000 1.021 292 S CA 0.902 59.078 58.200 -0.039 0.000 0.974 292 S CB -0.013 63.158 63.200 -0.048 0.000 0.800 292 S HN 0.352 nan 8.310 nan 0.000 0.484 293 A N 1.034 123.837 122.820 -0.028 0.000 1.929 293 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 293 A C 2.279 179.858 177.584 -0.009 0.000 1.176 293 A CA 1.741 53.768 52.037 -0.017 0.000 0.628 293 A CB -1.087 17.906 19.000 -0.012 0.000 0.816 293 A HN 0.452 nan 8.150 nan 0.000 0.444 294 T N -0.527 114.023 114.554 -0.006 0.000 2.701 294 T HA -0.136 4.214 4.350 -0.000 0.000 0.263 294 T C 2.295 176.991 174.700 -0.007 0.000 1.040 294 T CA 1.745 63.844 62.100 -0.001 0.000 1.147 294 T CB -0.390 68.481 68.868 0.005 0.000 0.865 294 T HN 0.528 nan 8.240 nan 0.000 0.426 295 S N 1.255 116.948 115.700 -0.012 0.000 2.370 295 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 295 S C 2.123 176.714 174.600 -0.016 0.000 1.033 295 S CA 2.102 60.293 58.200 -0.015 0.000 1.011 295 S CB -0.641 62.546 63.200 -0.021 0.000 0.852 295 S HN 0.745 nan 8.310 nan 0.000 0.457 296 T N -1.322 113.222 114.554 -0.017 0.000 3.107 296 T HA 0.306 4.656 4.350 -0.000 0.000 0.249 296 T C 0.335 175.027 174.700 -0.013 0.000 1.096 296 T CA -0.018 62.072 62.100 -0.017 0.000 1.012 296 T CB -0.519 68.336 68.868 -0.022 0.000 0.977 296 T HN 0.523 nan 8.240 nan 0.000 0.527 297 K N 1.416 121.810 120.400 -0.010 0.000 3.148 297 K HA -0.130 4.190 4.320 -0.000 0.000 0.267 297 K C -0.776 175.820 176.600 -0.006 0.000 0.996 297 K CA 0.331 56.614 56.287 -0.006 0.000 0.737 297 K CB -2.205 30.291 32.500 -0.006 0.000 1.308 297 K HN 0.491 nan 8.250 nan 0.000 0.470 298 S N 1.907 117.603 115.700 -0.007 0.000 2.429 298 S HA 0.315 4.785 4.470 -0.000 0.000 0.302 298 S C -1.847 172.752 174.600 -0.001 0.000 1.115 298 S CA -1.218 56.978 58.200 -0.007 0.000 1.095 298 S CB 1.123 64.316 63.200 -0.012 0.000 0.987 298 S HN 0.098 nan 8.310 nan 0.000 0.474 299 P HA 0.237 nan 4.420 nan 0.000 0.271 299 P C -0.564 176.742 177.300 0.009 0.000 1.233 299 P CA -0.282 62.822 63.100 0.006 0.000 0.764 299 P CB 0.018 31.722 31.700 0.006 0.000 0.825 300 I N 0.503 121.082 120.570 0.015 0.000 2.750 300 I HA 0.229 4.399 4.170 -0.000 0.000 0.279 300 I C 0.744 176.879 176.117 0.031 0.000 1.206 300 I CA -0.783 60.530 61.300 0.020 0.000 1.101 300 I CB 0.578 38.589 38.000 0.019 0.000 1.431 300 I HN 0.027 nan 8.210 nan 0.000 0.551 301 L N 2.515 123.754 121.223 0.027 0.000 1.976 301 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 301 L C 2.278 179.172 176.870 0.040 0.000 1.071 301 L CA 1.851 56.709 54.840 0.030 0.000 0.746 301 L CB -0.307 41.766 42.059 0.024 0.000 0.890 301 L HN 0.617 nan 8.230 nan 0.000 0.432 302 L N -0.948 120.300 121.223 0.041 0.000 2.072 302 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 302 L C 2.661 179.572 176.870 0.069 0.000 1.079 302 L CA 1.242 56.114 54.840 0.053 0.000 0.752 302 L CB -1.270 40.820 42.059 0.051 0.000 0.906 302 L HN 0.377 nan 8.230 nan 0.000 0.436 303 G N -0.569 108.268 108.800 0.061 0.000 2.422 303 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 303 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 303 G C 1.744 176.706 174.900 0.104 0.000 1.146 303 G CA 0.946 46.089 45.100 0.071 0.000 0.769 303 G HN 0.331 nan 8.290 nan 0.000 0.547 304 S N 0.088 115.845 115.700 0.095 0.000 2.368 304 S HA -0.065 4.405 4.470 -0.000 0.000 0.225 304 S C 2.124 176.794 174.600 0.117 0.000 1.030 304 S CA 0.841 59.115 58.200 0.124 0.000 0.999 304 S CB -0.230 63.018 63.200 0.080 0.000 0.844 304 S HN 0.203 nan 8.310 nan 0.000 0.459 305 L N 2.071 123.345 121.223 0.084 0.000 2.072 305 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 305 L C 2.446 179.367 176.870 0.085 0.000 1.079 305 L CA 1.757 56.635 54.840 0.063 0.000 0.752 305 L CB -1.622 40.467 42.059 0.051 0.000 0.906 305 L HN 0.252 nan 8.230 nan 0.000 0.436 306 A N -1.278 121.618 122.820 0.128 0.000 1.917 306 A HA -0.327 3.993 4.320 -0.000 0.000 0.219 306 A C 2.389 180.145 177.584 0.286 0.000 1.182 306 A CA 2.025 54.181 52.037 0.197 0.000 0.633 306 A CB -1.129 18.003 19.000 0.221 0.000 0.819 306 A HN 0.739 nan 8.150 nan 0.000 0.448 307 H N -1.178 117.965 119.070 0.123 0.000 2.321 307 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 307 H C 2.007 177.385 175.328 0.082 0.000 1.087 307 H CA 1.403 57.513 56.048 0.104 0.000 1.319 307 H CB 0.079 29.873 29.762 0.053 0.000 1.379 307 H HN 0.418 nan 8.280 nan 0.000 0.501 308 Q N 0.616 120.378 119.800 -0.064 0.000 2.167 308 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 308 Q C 2.581 178.528 176.000 -0.089 0.000 0.970 308 Q CA 0.761 56.465 55.803 -0.165 0.000 0.855 308 Q CB -0.092 28.579 28.738 -0.110 0.000 0.911 308 Q HN 0.621 nan 8.270 nan 0.000 0.438 309 I N -0.491 120.048 120.570 -0.053 0.000 2.202 309 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 309 I C 1.826 177.752 176.117 -0.318 0.000 1.091 309 I CA 1.157 62.365 61.300 -0.153 0.000 1.368 309 I CB -0.249 37.657 38.000 -0.156 0.000 1.058 309 I HN 0.097 nan 8.210 nan 0.000 0.410 310 Y N 0.412 120.649 120.300 -0.105 0.000 2.293 310 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 310 Y C 2.650 178.480 175.900 -0.116 0.000 1.137 310 Y CA 1.204 59.235 58.100 -0.116 0.000 1.202 310 Y CB -0.389 38.068 38.460 -0.005 0.000 0.990 310 Y HN 0.048 nan 8.280 nan 0.000 0.537 311 R N 0.287 120.810 120.500 0.039 0.000 2.073 311 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 311 R C 2.061 178.318 176.300 -0.072 0.000 1.134 311 R CA 1.802 57.888 56.100 -0.024 0.000 0.952 311 R CB -0.461 29.774 30.300 -0.109 0.000 0.850 311 R HN 0.255 nan 8.270 nan 0.000 0.433 312 M N -0.510 119.013 119.600 -0.127 0.000 2.080 312 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 312 M C 2.363 178.527 176.300 -0.227 0.000 1.068 312 M CA 1.993 57.212 55.300 -0.135 0.000 1.109 312 M CB -0.333 32.204 32.600 -0.104 0.000 1.342 312 M HN 0.255 nan 8.290 nan 0.000 0.405 313 M N -0.703 118.611 119.600 -0.477 0.000 2.202 313 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 313 M C 2.278 178.551 176.300 -0.044 0.000 1.063 313 M CA 1.192 56.197 55.300 -0.491 0.000 1.097 313 M CB -0.603 31.553 32.600 -0.740 0.000 1.382 313 M HN 0.409 nan 8.290 nan 0.000 0.413 314 C N 0.014 119.300 119.300 -0.024 0.000 2.422 314 C HA -0.073 4.386 4.460 -0.000 0.000 0.279 314 C C 2.826 177.835 174.990 0.033 0.000 1.305 314 C CA 1.108 60.145 59.018 0.031 0.000 1.757 314 C CB -1.256 26.498 27.740 0.024 0.000 1.962 314 C HN 0.631 nan 8.230 nan 0.000 0.499 315 A N -0.441 122.391 122.820 0.020 0.000 2.208 315 A HA 0.027 4.347 4.320 -0.000 0.000 0.209 315 A C 1.635 179.253 177.584 0.058 0.000 1.161 315 A CA 0.931 52.987 52.037 0.031 0.000 0.782 315 A CB -0.126 18.887 19.000 0.021 0.000 0.816 315 A HN 0.573 nan 8.150 nan 0.000 0.477 316 K N -0.982 119.479 120.400 0.101 0.000 2.455 316 K HA 0.296 4.616 4.320 -0.000 0.000 0.206 316 K C 0.748 177.401 176.600 0.089 0.000 1.027 316 K CA 0.531 56.914 56.287 0.160 0.000 1.113 316 K CB 0.450 33.144 32.500 0.322 0.000 0.850 316 K HN 0.656 nan 8.250 nan 0.000 0.503 317 G N 1.163 109.973 108.800 0.017 0.000 2.144 317 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 317 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 317 G C 0.299 175.055 174.900 -0.240 0.000 0.988 317 G CA -0.179 44.846 45.100 -0.125 0.000 0.659 317 G HN 0.346 nan 8.290 nan 0.000 0.522 318 Y N 1.221 121.509 120.300 -0.021 0.000 2.458 318 Y HA 0.184 4.734 4.550 -0.000 0.000 0.256 318 Y C 2.640 178.539 175.900 -0.003 0.000 1.159 318 Y CA 0.994 59.080 58.100 -0.023 0.000 1.261 318 Y CB 0.370 38.783 38.460 -0.078 0.000 1.119 318 Y HN 0.432 nan 8.280 nan 0.000 0.524 319 S N 0.461 116.226 115.700 0.107 0.000 2.387 319 S HA -0.262 4.208 4.470 -0.000 0.000 0.230 319 S C 1.525 176.153 174.600 0.047 0.000 1.035 319 S CA 1.573 59.811 58.200 0.063 0.000 1.014 319 S CB -0.281 62.938 63.200 0.032 0.000 0.836 319 S HN 0.439 nan 8.310 nan 0.000 0.466 320 K N 0.601 121.030 120.400 0.048 0.000 2.374 320 K HA 0.269 4.589 4.320 -0.000 0.000 0.196 320 K C 0.075 176.726 176.600 0.084 0.000 1.023 320 K CA 0.016 56.331 56.287 0.047 0.000 1.103 320 K CB 0.317 32.836 32.500 0.031 0.000 0.848 320 K HN 0.313 nan 8.250 nan 0.000 0.528 321 K N 1.485 121.958 120.400 0.122 0.000 2.118 321 K HA 0.066 4.386 4.320 -0.000 0.000 0.267 321 K C -0.605 176.132 176.600 0.229 0.000 0.991 321 K CA -0.540 55.859 56.287 0.187 0.000 0.916 321 K CB 1.023 33.652 32.500 0.215 0.000 1.041 321 K HN -0.040 nan 8.250 nan 0.000 0.455 322 D N 1.055 121.631 120.400 0.293 0.000 2.548 322 D HA -0.140 4.500 4.640 -0.000 0.000 0.231 322 D C 0.860 177.381 176.300 0.368 0.000 1.142 322 D CA 0.191 54.418 54.000 0.377 0.000 0.866 322 D CB 0.417 41.466 40.800 0.416 0.000 1.190 322 D HN 0.430 nan 8.370 nan 0.000 0.469 323 F N 1.670 121.783 119.950 0.273 0.000 2.307 323 F HA -0.098 4.429 4.527 0.000 0.000 0.301 323 F C 2.028 178.075 175.800 0.413 0.000 1.076 323 F CA 0.833 59.014 58.000 0.302 0.000 1.383 323 F CB -1.291 37.774 39.000 0.108 0.000 1.055 323 F HN 0.273 nan 8.300 nan 0.000 0.526 324 S N 0.204 115.697 115.700 -0.344 0.000 2.555 324 S HA -0.141 4.329 4.470 -0.000 0.000 0.230 324 S C 1.910 176.498 174.600 -0.021 0.000 0.978 324 S CA 0.528 58.624 58.200 -0.173 0.000 0.934 324 S CB -1.330 61.852 63.200 -0.029 0.000 0.766 324 S HN 0.607 nan 8.310 nan 0.000 0.533 325 S N 1.017 116.568 115.700 -0.248 0.000 2.537 325 S HA -0.034 4.436 4.470 -0.000 0.000 0.240 325 S C 1.585 175.955 174.600 -0.384 0.000 0.981 325 S CA 0.652 58.379 58.200 -0.788 0.000 0.948 325 S CB -0.876 62.042 63.200 -0.470 0.000 0.759 325 S HN 0.431 nan 8.310 nan 0.000 0.531 326 V N 1.085 120.876 119.914 -0.204 0.000 2.453 326 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 326 V C 1.770 177.844 176.094 -0.035 0.000 1.068 326 V CA 2.226 64.408 62.300 -0.197 0.000 1.070 326 V CB -0.868 30.832 31.823 -0.205 0.000 0.664 326 V HN 0.678 nan 8.190 nan 0.000 0.461 327 F N 0.563 120.458 119.950 -0.090 0.000 2.102 327 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 327 F C 2.494 178.286 175.800 -0.013 0.000 1.105 327 F CA 2.461 60.451 58.000 -0.016 0.000 1.239 327 F CB -0.288 38.746 39.000 0.057 0.000 0.991 327 F HN 0.216 nan 8.300 nan 0.000 0.474 328 Q N -0.523 119.196 119.800 -0.135 0.000 2.124 328 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 328 Q C 2.253 178.210 176.000 -0.071 0.000 0.977 328 Q CA 1.813 57.546 55.803 -0.116 0.000 0.850 328 Q CB -0.500 28.265 28.738 0.046 0.000 0.901 328 Q HN 0.541 nan 8.270 nan 0.000 0.429 329 F N 0.744 120.506 119.950 -0.314 0.000 2.171 329 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 329 F C 1.654 177.298 175.800 -0.260 0.000 1.090 329 F CA 1.240 59.020 58.000 -0.366 0.000 1.293 329 F CB -0.076 38.496 39.000 -0.713 0.000 1.013 329 F HN 0.042 nan 8.300 nan 0.000 0.486 330 L N 0.062 121.101 121.223 -0.306 0.000 2.127 330 L HA -0.034 4.306 4.340 -0.000 0.000 0.203 330 L C 1.247 177.896 176.870 -0.367 0.000 1.080 330 L CA 0.452 55.081 54.840 -0.351 0.000 0.768 330 L CB -0.582 41.363 42.059 -0.190 0.000 0.924 330 L HN 0.019 nan 8.230 nan 0.000 0.444 331 R N 1.534 121.745 120.500 -0.482 0.000 2.643 331 R HA 0.059 4.398 4.340 -0.000 0.000 0.270 331 R C -0.099 176.037 176.300 -0.273 0.000 1.061 331 R CA -0.108 55.723 56.100 -0.448 0.000 1.107 331 R CB 0.463 30.312 30.300 -0.751 0.000 0.999 331 R HN 0.044 nan 8.270 nan 0.000 0.460 332 E N 2.166 122.253 120.200 -0.188 0.000 2.101 332 E HA 0.182 4.532 4.350 -0.000 0.000 0.260 332 E C -0.188 176.360 176.600 -0.085 0.000 0.897 332 E CA -0.230 56.094 56.400 -0.126 0.000 0.744 332 E CB 0.777 30.413 29.700 -0.106 0.000 1.140 332 E HN 0.760 nan 8.360 nan 0.000 0.419 333 E N 0.000 120.159 120.200 -0.068 0.000 2.725 333 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 333 E CA 0.000 56.380 56.400 -0.034 0.000 0.976 333 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 333 E HN 0.000 nan 8.360 nan 0.000 0.440