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 1ynf_1_A DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAXX XXXXXXXXXH RFQVSNPRLA AKQGLLKXKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPXWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGX QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFXAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSXXLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESXANGG GPACLRLRVV LTEEERRAVN PAVXXNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.428 175.510 -0.137 0.000 1.280 2 N CA 0.000 53.028 53.050 -0.036 0.000 0.885 2 N CB 0.000 38.501 38.487 0.023 0.000 1.341 3 A N 1.426 124.265 122.820 0.031 0.000 2.407 3 A HA 0.627 5.080 4.320 0.222 0.000 0.248 3 A C -0.664 177.123 177.584 0.337 0.000 1.082 3 A CA -0.076 52.006 52.037 0.076 0.000 0.785 3 A CB 0.272 19.362 19.000 0.150 0.000 1.020 3 A HN 0.574 nan 8.150 nan 0.000 0.489 4 W N -0.112 121.267 121.300 0.132 0.000 2.882 4 W HA 0.477 5.267 4.660 0.217 0.000 0.345 4 W C 0.058 176.522 176.519 -0.092 0.000 1.125 4 W CA -1.093 56.313 57.345 0.101 0.000 1.167 4 W CB 1.039 30.555 29.460 0.094 0.000 1.431 4 W HN 0.805 nan 8.180 nan 0.000 0.543 5 E N 1.359 121.475 120.200 -0.140 0.000 2.167 5 E HA 0.426 4.909 4.350 0.222 0.000 0.284 5 E C -1.175 175.434 176.600 0.016 0.000 1.016 5 E CA -0.166 56.055 56.400 -0.298 0.000 0.817 5 E CB 1.090 30.318 29.700 -0.786 0.000 1.080 5 E HN 0.167 nan 8.360 nan 0.000 0.397 6 V N 5.314 125.303 119.914 0.125 0.000 2.398 6 V HA 0.234 4.487 4.120 0.222 0.000 0.286 6 V C -0.081 176.113 176.094 0.166 0.000 1.026 6 V CA -1.059 61.328 62.300 0.146 0.000 0.868 6 V CB 1.525 33.466 31.823 0.197 0.000 0.982 6 V HN 0.671 nan 8.190 nan 0.000 0.443 7 N N 3.753 122.483 118.700 0.049 0.000 2.444 7 N HA 0.428 5.301 4.740 0.222 0.000 0.271 7 N C -1.086 174.408 175.510 -0.026 0.000 1.069 7 N CA -0.080 53.017 53.050 0.078 0.000 0.965 7 N CB 1.303 39.804 38.487 0.024 0.000 1.092 7 N HN 0.451 nan 8.380 nan 0.000 0.476 8 F N 1.137 121.120 119.950 0.055 0.000 2.361 8 F HA 0.263 4.912 4.527 0.204 0.000 0.364 8 F C 0.445 176.269 175.800 0.041 0.000 1.117 8 F CA -0.780 57.252 58.000 0.053 0.000 1.071 8 F CB 1.070 40.126 39.000 0.093 0.000 1.188 8 F HN 0.233 nan 8.300 nan 0.000 0.464 9 D N 1.294 121.765 120.400 0.119 0.000 2.217 9 D HA 0.478 5.251 4.640 0.222 0.000 0.248 9 D C 0.176 176.524 176.300 0.081 0.000 1.008 9 D CA -0.264 53.785 54.000 0.082 0.000 0.914 9 D CB 1.596 42.406 40.800 0.018 0.000 1.182 9 D HN 0.615 nan 8.370 nan 0.000 0.451 10 G N 0.801 109.634 108.800 0.055 0.000 2.320 10 G HA2 0.401 4.494 3.960 0.222 0.000 0.300 10 G HA3 0.401 4.494 3.960 0.222 0.000 0.300 10 G C -0.621 174.279 174.900 -0.000 0.000 1.126 10 G CA -0.431 44.683 45.100 0.024 0.000 0.896 10 G HN 0.358 nan 8.290 nan 0.000 0.436 11 L N 4.662 125.904 121.223 0.032 0.000 2.385 11 L HA 0.282 4.755 4.340 0.222 0.000 0.281 11 L C 0.515 177.426 176.870 0.067 0.000 1.106 11 L CA -0.210 54.663 54.840 0.054 0.000 0.856 11 L CB 0.858 42.970 42.059 0.089 0.000 1.186 11 L HN 0.282 nan 8.230 nan 0.000 0.453 12 V N 5.998 125.922 119.914 0.016 0.000 2.644 12 V HA 0.134 4.387 4.120 0.222 0.000 0.305 12 V C 1.386 177.611 176.094 0.217 0.000 1.053 12 V CA 0.585 62.885 62.300 0.001 0.000 1.186 12 V CB -0.055 31.713 31.823 -0.092 0.000 0.895 12 V HN 0.983 nan 8.190 nan 0.000 0.490 13 G N 3.621 112.503 108.800 0.136 0.000 2.599 13 G HA2 0.371 4.464 3.960 0.222 0.000 0.264 13 G HA3 0.371 4.464 3.960 0.222 0.000 0.264 13 G C 0.603 175.545 174.900 0.069 0.000 1.200 13 G CA -0.768 44.429 45.100 0.161 0.000 0.896 13 G HN 0.654 nan 8.290 nan 0.000 0.536 14 L N 0.266 121.316 121.223 -0.287 0.000 2.275 14 L HA 0.030 4.503 4.340 0.222 0.000 0.215 14 L C 2.861 179.595 176.870 -0.226 0.000 1.119 14 L CA 1.938 56.414 54.840 -0.606 0.000 0.790 14 L CB -0.549 41.065 42.059 -0.743 0.000 0.919 14 L HN 0.687 nan 8.230 nan 0.000 0.443 15 T N -4.872 109.633 114.554 -0.081 0.000 3.163 15 T HA 0.044 4.527 4.350 0.222 0.000 0.252 15 T C 0.686 175.475 174.700 0.148 0.000 1.056 15 T CA -0.457 61.647 62.100 0.006 0.000 0.947 15 T CB -0.949 67.932 68.868 0.022 0.000 1.016 15 T HN 0.275 nan 8.240 nan 0.000 0.554 16 H N 3.693 122.768 119.070 0.009 0.000 3.192 16 H HA 0.158 4.848 4.556 0.223 0.000 0.295 16 H C 0.380 175.693 175.328 -0.024 0.000 0.943 16 H CA 0.699 56.734 56.048 -0.021 0.000 1.416 16 H CB -0.196 29.550 29.762 -0.026 0.000 1.434 16 H HN 0.673 nan 8.280 nan 0.000 0.565 17 H N 3.119 121.877 119.070 -0.521 0.000 2.948 17 H HA 0.202 4.894 4.556 0.226 0.000 0.315 17 H C -1.539 173.566 175.328 -0.372 0.000 1.360 17 H CA -1.025 54.664 56.048 -0.598 0.000 1.125 17 H CB 0.348 29.940 29.762 -0.283 0.000 1.844 17 H HN 0.618 nan 8.280 nan 0.000 0.529 18 Y N 0.300 120.588 120.300 -0.020 0.000 2.331 18 Y HA 0.683 5.363 4.550 0.216 0.000 0.338 18 Y C 0.423 176.385 175.900 0.104 0.000 0.992 18 Y CA -0.578 57.537 58.100 0.026 0.000 1.121 18 Y CB 1.821 40.387 38.460 0.176 0.000 1.184 18 Y HN 0.861 nan 8.280 nan 0.000 0.469 32 R N 0.569 121.030 120.500 -0.065 0.000 2.472 32 R HA 0.216 4.689 4.340 0.222 0.000 0.279 32 R C -0.495 175.745 176.300 -0.100 0.000 0.953 32 R CA -0.282 55.742 56.100 -0.126 0.000 1.088 32 R CB -0.079 30.096 30.300 -0.209 0.000 1.197 32 R HN 0.382 nan 8.270 nan 0.000 0.536 33 F N 1.206 121.304 119.950 0.246 0.000 2.602 33 F HA -0.047 4.612 4.527 0.221 0.000 0.367 33 F C 1.670 177.635 175.800 0.275 0.000 1.126 33 F CA 0.381 58.444 58.000 0.105 0.000 1.321 33 F CB 0.638 39.544 39.000 -0.157 0.000 1.094 33 F HN -0.144 nan 8.300 nan 0.000 0.594 34 Q N 0.962 121.019 119.800 0.428 0.000 2.280 34 Q HA 0.225 4.698 4.340 0.222 0.000 0.244 34 Q C -0.630 175.559 176.000 0.315 0.000 0.847 34 Q CA 0.219 56.241 55.803 0.366 0.000 0.945 34 Q CB 0.988 29.837 28.738 0.186 0.000 1.115 34 Q HN 0.423 nan 8.270 nan 0.000 0.513 35 V N 1.933 122.039 119.914 0.320 0.000 2.350 35 V HA 0.499 4.751 4.120 0.222 0.000 0.276 35 V C -0.007 176.142 176.094 0.090 0.000 1.028 35 V CA -0.608 61.783 62.300 0.151 0.000 0.860 35 V CB 1.086 32.989 31.823 0.133 0.000 0.990 35 V HN 0.227 nan 8.190 nan 0.000 0.453 36 S N 3.312 118.889 115.700 -0.206 0.000 2.718 36 S HA 0.544 5.147 4.470 0.222 0.000 0.300 36 S C -0.313 174.225 174.600 -0.104 0.000 1.117 36 S CA -0.802 57.162 58.200 -0.393 0.000 1.002 36 S CB 1.877 64.479 63.200 -0.997 0.000 1.092 36 S HN 0.611 nan 8.310 nan 0.000 0.542 37 N N 1.194 119.907 118.700 0.022 0.000 2.746 37 N HA 0.389 5.262 4.740 0.222 0.000 0.250 37 N C -2.392 173.224 175.510 0.176 0.000 1.146 37 N CA -2.154 50.944 53.050 0.080 0.000 0.828 37 N CB 1.232 39.759 38.487 0.067 0.000 1.158 37 N HN 0.234 nan 8.380 nan 0.000 0.519 38 P HA -0.173 nan 4.420 nan 0.000 0.214 38 P C 1.422 178.894 177.300 0.287 0.000 1.163 38 P CA 1.272 64.541 63.100 0.283 0.000 0.889 38 P CB 0.399 32.212 31.700 0.190 0.000 0.790 39 R N -0.328 120.313 120.500 0.235 0.000 2.083 39 R HA -0.179 4.294 4.340 0.222 0.000 0.237 39 R C 2.145 178.437 176.300 -0.013 0.000 1.137 39 R CA 1.611 57.765 56.100 0.090 0.000 0.951 39 R CB -1.180 29.163 30.300 0.071 0.000 0.851 39 R HN 0.077 nan 8.270 nan 0.000 0.434 40 L N 0.701 121.939 121.223 0.024 0.000 2.083 40 L HA -0.009 4.464 4.340 0.222 0.000 0.209 40 L C 2.239 179.105 176.870 -0.007 0.000 1.083 40 L CA 2.059 56.904 54.840 0.007 0.000 0.752 40 L CB -0.655 41.419 42.059 0.025 0.000 0.899 40 L HN 0.281 nan 8.230 nan 0.000 0.433 41 A N -0.251 122.563 122.820 -0.010 0.000 1.877 41 A HA -0.116 4.337 4.320 0.222 0.000 0.216 41 A C 2.470 179.993 177.584 -0.101 0.000 1.186 41 A CA 1.963 53.938 52.037 -0.104 0.000 0.620 41 A CB -1.206 17.591 19.000 -0.339 0.000 0.822 41 A HN 0.589 nan 8.150 nan 0.000 0.443 42 A N -0.262 122.499 122.820 -0.098 0.000 1.873 42 A HA -0.134 4.319 4.320 0.222 0.000 0.215 42 A C 2.113 179.642 177.584 -0.091 0.000 1.186 42 A CA 1.740 53.699 52.037 -0.130 0.000 0.616 42 A CB -0.432 18.362 19.000 -0.344 0.000 0.823 42 A HN 0.537 nan 8.150 nan 0.000 0.442 43 K N -0.411 119.935 120.400 -0.089 0.000 2.097 43 K HA -0.173 4.280 4.320 0.222 0.000 0.206 43 K C 2.292 178.909 176.600 0.028 0.000 1.049 43 K CA 1.599 57.865 56.287 -0.034 0.000 0.933 43 K CB -0.212 32.264 32.500 -0.041 0.000 0.717 43 K HN 0.608 nan 8.250 nan 0.000 0.442 44 Q N -0.239 119.572 119.800 0.018 0.000 2.124 44 Q HA -0.117 4.356 4.340 0.222 0.000 0.202 44 Q C 2.293 178.316 176.000 0.039 0.000 0.977 44 Q CA 1.429 57.261 55.803 0.048 0.000 0.850 44 Q CB -0.192 28.569 28.738 0.038 0.000 0.901 44 Q HN 0.473 nan 8.270 nan 0.000 0.429 45 G N 0.751 109.554 108.800 0.006 0.000 2.402 45 G HA2 -0.190 3.903 3.960 0.222 0.000 0.216 45 G HA3 -0.190 3.903 3.960 0.222 0.000 0.216 45 G C 1.399 176.306 174.900 0.011 0.000 1.162 45 G CA 0.327 45.420 45.100 -0.011 0.000 0.777 45 G HN 0.155 nan 8.290 nan 0.000 0.539 46 L N -0.048 121.214 121.223 0.064 0.000 2.083 46 L HA 0.010 4.483 4.340 0.222 0.000 0.209 46 L C 2.893 179.904 176.870 0.234 0.000 1.083 46 L CA 0.468 55.410 54.840 0.170 0.000 0.752 46 L CB -0.324 41.854 42.059 0.198 0.000 0.899 46 L HN 0.185 nan 8.230 nan 0.000 0.433 47 L N -0.382 120.966 121.223 0.208 0.000 2.012 47 L HA -0.204 4.269 4.340 0.222 0.000 0.210 47 L C 1.832 178.752 176.870 0.082 0.000 1.073 47 L CA 1.048 56.003 54.840 0.191 0.000 0.748 47 L CB -0.441 41.742 42.059 0.208 0.000 0.891 47 L HN 0.234 nan 8.230 nan 0.000 0.431 51 A N 1.814 124.599 122.820 -0.058 0.000 1.883 51 A HA -0.059 4.394 4.320 0.222 0.000 0.217 51 A C 1.969 179.628 177.584 0.126 0.000 1.186 51 A CA 1.949 54.041 52.037 0.092 0.000 0.624 51 A CB -0.810 18.406 19.000 0.360 0.000 0.822 51 A HN 0.252 nan 8.150 nan 0.000 0.444 52 L N -1.002 120.281 121.223 0.101 0.000 2.056 52 L HA -0.181 4.292 4.340 0.222 0.000 0.207 52 L C 3.126 180.115 176.870 0.197 0.000 1.078 52 L CA 1.036 55.974 54.840 0.164 0.000 0.749 52 L CB -0.747 41.316 42.059 0.006 0.000 0.901 52 L HN 0.459 nan 8.230 nan 0.000 0.433 53 A N 0.255 123.105 122.820 0.050 0.000 1.883 53 A HA -0.243 4.210 4.320 0.222 0.000 0.217 53 A C 1.919 179.498 177.584 -0.008 0.000 1.186 53 A CA 2.089 54.130 52.037 0.007 0.000 0.624 53 A CB -0.588 18.378 19.000 -0.057 0.000 0.822 53 A HN 0.356 nan 8.150 nan 0.000 0.444 54 D N 0.107 120.492 120.400 -0.024 0.000 2.149 54 D HA -0.055 4.718 4.640 0.222 0.000 0.198 54 D C 1.946 178.238 176.300 -0.012 0.000 0.990 54 D CA 1.487 55.467 54.000 -0.033 0.000 0.839 54 D CB -0.398 40.374 40.800 -0.046 0.000 0.948 54 D HN 0.450 nan 8.370 nan 0.000 0.460 55 A N -0.472 122.384 122.820 0.060 0.000 2.239 55 A HA 0.358 4.811 4.320 0.222 0.000 0.209 55 A C 1.768 179.243 177.584 -0.181 0.000 1.171 55 A CA 1.269 53.342 52.037 0.060 0.000 0.768 55 A CB -0.214 18.970 19.000 0.307 0.000 0.790 55 A HN 0.291 nan 8.150 nan 0.000 0.478 56 G N -2.330 106.347 108.800 -0.205 0.000 2.179 56 G HA2 -0.199 3.894 3.960 0.222 0.000 0.220 56 G HA3 -0.199 3.894 3.960 0.222 0.000 0.220 56 G C -0.107 174.466 174.900 -0.545 0.000 0.990 56 G CA -0.111 44.745 45.100 -0.406 0.000 0.646 56 G HN 0.358 nan 8.290 nan 0.000 0.517 57 F N 1.761 121.650 119.950 -0.101 0.000 2.371 57 F HA 0.492 5.155 4.527 0.227 0.000 0.363 57 F C -1.698 174.050 175.800 -0.085 0.000 1.122 57 F CA -2.468 55.475 58.000 -0.096 0.000 1.129 57 F CB 1.168 40.138 39.000 -0.050 0.000 1.173 57 F HN -0.185 nan 8.300 nan 0.000 0.489 58 P HA -0.092 nan 4.420 nan 0.000 0.259 58 P C -0.807 176.494 177.300 0.002 0.000 1.163 58 P CA 0.451 63.581 63.100 0.050 0.000 0.760 58 P CB 0.426 32.217 31.700 0.152 0.000 0.762 59 Q N 2.730 122.488 119.800 -0.070 0.000 2.359 59 Q HA 0.773 5.246 4.340 0.222 0.000 0.274 59 Q C -1.663 174.170 176.000 -0.277 0.000 1.074 59 Q CA -0.773 54.939 55.803 -0.151 0.000 0.810 59 Q CB 2.048 30.735 28.738 -0.085 0.000 1.342 59 Q HN 0.445 nan 8.270 nan 0.000 0.427 60 A N 1.858 124.411 122.820 -0.445 0.000 2.552 60 A HA 0.912 5.365 4.320 0.222 0.000 0.288 60 A C -1.626 175.788 177.584 -0.284 0.000 1.193 60 A CA -0.353 51.366 52.037 -0.531 0.000 0.713 60 A CB 1.601 19.841 19.000 -1.267 0.000 1.305 60 A HN 0.785 nan 8.150 nan 0.000 0.424 61 V N 0.010 119.848 119.914 -0.126 0.000 3.007 61 V HA 0.732 4.985 4.120 0.222 0.000 0.311 61 V C -1.569 174.589 176.094 0.108 0.000 1.120 61 V CA -0.702 61.606 62.300 0.013 0.000 0.980 61 V CB 1.819 33.636 31.823 -0.009 0.000 1.033 61 V HN 0.726 nan 8.190 nan 0.000 0.429 62 I N 6.950 127.592 120.570 0.119 0.000 2.466 62 I HA 0.462 4.765 4.170 0.222 0.000 0.289 62 I C -2.374 173.799 176.117 0.094 0.000 1.026 62 I CA -1.937 59.435 61.300 0.120 0.000 1.078 62 I CB 2.641 40.733 38.000 0.152 0.000 1.249 62 I HN 0.527 nan 8.210 nan 0.000 0.429 63 P HA 0.225 nan 4.420 nan 0.000 0.272 63 P C -2.668 174.778 177.300 0.244 0.000 1.240 63 P CA -1.140 62.042 63.100 0.137 0.000 0.791 63 P CB 0.021 31.801 31.700 0.135 0.000 0.978 64 P HA 0.206 nan 4.420 nan 0.000 0.279 64 P C -0.216 177.351 177.300 0.444 0.000 1.282 64 P CA -0.028 63.222 63.100 0.251 0.000 0.788 64 P CB 0.794 32.625 31.700 0.219 0.000 1.139 65 H N -1.935 117.195 119.070 0.099 0.000 2.630 65 H HA 0.234 4.929 4.556 0.231 0.000 0.343 65 H C 0.035 175.349 175.328 -0.023 0.000 1.232 65 H CA -0.893 55.217 56.048 0.103 0.000 1.294 65 H CB 1.140 30.931 29.762 0.049 0.000 1.746 65 H HN 0.451 nan 8.280 nan 0.000 0.593 66 E N 1.906 122.194 120.200 0.147 0.000 2.292 66 E HA 0.005 4.487 4.350 0.222 0.000 0.265 66 E C -0.731 175.992 176.600 0.205 0.000 1.093 66 E CA -0.219 56.263 56.400 0.136 0.000 0.922 66 E CB 0.198 30.130 29.700 0.386 0.000 1.001 66 E HN 0.280 nan 8.360 nan 0.000 0.444 67 R N 4.732 125.272 120.500 0.067 0.000 2.564 67 R HA 0.365 4.838 4.340 0.222 0.000 0.284 67 R C -2.646 173.644 176.300 -0.017 0.000 1.031 67 R CA -2.283 53.859 56.100 0.070 0.000 0.904 67 R CB 1.364 31.696 30.300 0.054 0.000 1.199 67 R HN 0.476 nan 8.270 nan 0.000 0.443 68 P HA 0.081 nan 4.420 nan 0.000 0.269 68 P C -0.560 176.822 177.300 0.137 0.000 1.215 68 P CA -0.203 62.932 63.100 0.058 0.000 0.780 68 P CB 0.352 32.053 31.700 0.002 0.000 0.898 69 F N 3.455 123.413 119.950 0.012 0.000 2.384 69 F HA 0.188 4.854 4.527 0.233 0.000 0.359 69 F C 1.101 176.913 175.800 0.021 0.000 1.143 69 F CA -0.348 57.669 58.000 0.028 0.000 1.216 69 F CB -0.298 38.730 39.000 0.048 0.000 1.512 69 F HN 0.148 nan 8.300 nan 0.000 0.573 70 I N 5.833 126.288 120.570 -0.192 0.000 2.264 70 I HA -0.163 4.140 4.170 0.222 0.000 0.248 70 I C -0.476 175.486 176.117 -0.258 0.000 1.111 70 I CA 0.950 62.139 61.300 -0.185 0.000 1.382 70 I CB -2.073 35.839 38.000 -0.147 0.000 1.060 70 I HN 0.356 nan 8.210 nan 0.000 0.418 71 P HA -0.157 nan 4.420 nan 0.000 0.216 71 P C 2.216 179.415 177.300 -0.170 0.000 1.150 71 P CA 1.152 64.016 63.100 -0.393 0.000 0.843 71 P CB 0.018 31.329 31.700 -0.648 0.000 0.787 72 V N -0.999 118.870 119.914 -0.074 0.000 2.667 72 V HA -0.138 4.115 4.120 0.222 0.000 0.252 72 V C 1.945 178.072 176.094 0.054 0.000 1.065 72 V CA 1.335 63.708 62.300 0.122 0.000 1.083 72 V CB -0.964 31.049 31.823 0.316 0.000 0.692 72 V HN 0.001 nan 8.190 nan 0.000 0.468 73 L N -0.406 120.826 121.223 0.014 0.000 2.093 73 L HA -0.101 4.371 4.340 0.222 0.000 0.208 73 L C 2.797 179.742 176.870 0.125 0.000 1.085 73 L CA 1.629 56.479 54.840 0.016 0.000 0.755 73 L CB -0.550 41.468 42.059 -0.068 0.000 0.904 73 L HN 0.242 nan 8.230 nan 0.000 0.435 74 R N -0.431 120.097 120.500 0.046 0.000 2.092 74 R HA -0.170 4.303 4.340 0.222 0.000 0.231 74 R C 2.254 178.563 176.300 0.014 0.000 1.119 74 R CA 1.014 57.139 56.100 0.041 0.000 0.970 74 R CB -0.212 30.084 30.300 -0.006 0.000 0.864 74 R HN 0.393 nan 8.270 nan 0.000 0.440 75 Q N 0.625 120.430 119.800 0.008 0.000 2.224 75 Q HA -0.066 4.407 4.340 0.222 0.000 0.203 75 Q C 1.548 177.525 176.000 -0.039 0.000 0.970 75 Q CA 0.913 56.715 55.803 -0.001 0.000 0.865 75 Q CB 0.172 28.930 28.738 0.033 0.000 0.922 75 Q HN 0.356 nan 8.270 nan 0.000 0.445 76 L N -1.386 119.806 121.223 -0.052 0.000 2.591 76 L HA 0.155 4.628 4.340 0.222 0.000 0.228 76 L C 1.122 177.853 176.870 -0.232 0.000 1.133 76 L CA 0.559 55.314 54.840 -0.143 0.000 0.880 76 L CB 0.261 42.174 42.059 -0.243 0.000 1.033 76 L HN 0.450 nan 8.230 nan 0.000 0.450 77 G N -0.565 108.118 108.800 -0.194 0.000 2.184 77 G HA2 -0.249 3.844 3.960 0.222 0.000 0.206 77 G HA3 -0.249 3.844 3.960 0.222 0.000 0.206 77 G C 0.002 174.655 174.900 -0.413 0.000 0.995 77 G CA -0.665 44.237 45.100 -0.328 0.000 0.651 77 G HN 0.152 nan 8.290 nan 0.000 0.511 78 F N 2.937 122.848 119.950 -0.066 0.000 2.411 78 F HA 0.624 5.284 4.527 0.222 0.000 0.355 78 F C 1.027 176.802 175.800 -0.042 0.000 1.117 78 F CA -0.108 57.865 58.000 -0.046 0.000 1.139 78 F CB 1.600 40.572 39.000 -0.048 0.000 1.120 78 F HN 0.234 nan 8.300 nan 0.000 0.493 79 S N 1.531 117.290 115.700 0.098 0.000 2.739 79 S HA 1.002 5.605 4.470 0.222 0.000 0.306 79 S C 0.094 174.724 174.600 0.050 0.000 1.115 79 S CA -0.263 57.967 58.200 0.051 0.000 0.985 79 S CB 1.817 65.024 63.200 0.012 0.000 1.133 79 S HN 1.346 nan 8.310 nan 0.000 0.541 80 G N 0.629 109.445 108.800 0.026 0.000 2.342 80 G HA2 0.203 4.296 3.960 0.222 0.000 0.220 80 G HA3 0.203 4.296 3.960 0.222 0.000 0.220 80 G C -0.250 174.654 174.900 0.007 0.000 1.243 80 G CA -0.315 44.795 45.100 0.018 0.000 1.083 80 G HN 1.881 nan 8.290 nan 0.000 0.500 81 S N -0.333 115.368 115.700 0.002 0.000 2.645 81 S HA 0.509 5.112 4.470 0.222 0.000 0.266 81 S C 0.960 175.551 174.600 -0.016 0.000 1.258 81 S CA 0.750 58.946 58.200 -0.008 0.000 0.990 81 S CB 1.490 64.684 63.200 -0.009 0.000 0.967 81 S HN 0.566 nan 8.310 nan 0.000 0.556 82 D N 0.949 121.332 120.400 -0.028 0.000 2.133 82 D HA -0.133 4.640 4.640 0.222 0.000 0.195 82 D C 1.878 178.151 176.300 -0.046 0.000 0.997 82 D CA 1.753 55.726 54.000 -0.045 0.000 0.840 82 D CB -0.238 40.527 40.800 -0.058 0.000 0.947 82 D HN 0.755 nan 8.370 nan 0.000 0.452 83 E N 0.443 120.619 120.200 -0.039 0.000 2.072 83 E HA -0.145 4.338 4.350 0.222 0.000 0.191 83 E C 2.176 178.758 176.600 -0.029 0.000 0.985 83 E CA 0.604 56.981 56.400 -0.039 0.000 0.801 83 E CB -0.170 29.511 29.700 -0.033 0.000 0.750 83 E HN 0.458 nan 8.360 nan 0.000 0.452 84 Q N 0.615 120.405 119.800 -0.016 0.000 2.079 84 Q HA -0.099 4.374 4.340 0.222 0.000 0.200 84 Q C 2.463 178.465 176.000 0.004 0.000 0.974 84 Q CA 1.115 56.918 55.803 -0.001 0.000 0.840 84 Q CB -0.040 28.704 28.738 0.009 0.000 0.898 84 Q HN 0.100 nan 8.270 nan 0.000 0.430 85 V N 1.137 121.051 119.914 0.001 0.000 2.287 85 V HA -0.268 3.985 4.120 0.222 0.000 0.248 85 V C 2.201 178.249 176.094 -0.077 0.000 1.053 85 V CA 1.532 63.833 62.300 0.002 0.000 1.027 85 V CB -0.547 31.274 31.823 -0.003 0.000 0.646 85 V HN 0.299 nan 8.190 nan 0.000 0.447 86 L N 0.172 121.348 121.223 -0.078 0.000 2.042 86 L HA -0.216 4.257 4.340 0.222 0.000 0.210 86 L C 2.472 179.288 176.870 -0.091 0.000 1.076 86 L CA 2.379 57.160 54.840 -0.098 0.000 0.749 86 L CB -0.678 41.334 42.059 -0.077 0.000 0.893 86 L HN 0.460 nan 8.230 nan 0.000 0.432 87 E N -0.799 119.368 120.200 -0.055 0.000 2.047 87 E HA -0.245 4.238 4.350 0.222 0.000 0.191 87 E C 2.150 178.735 176.600 -0.024 0.000 0.987 87 E CA 1.220 57.599 56.400 -0.035 0.000 0.799 87 E CB -0.000 29.690 29.700 -0.016 0.000 0.752 87 E HN 0.490 nan 8.360 nan 0.000 0.449 88 K N 0.027 120.425 120.400 -0.004 0.000 2.057 88 K HA -0.125 4.328 4.320 0.222 0.000 0.207 88 K C 2.177 178.770 176.600 -0.011 0.000 1.049 88 K CA 1.406 57.729 56.287 0.060 0.000 0.931 88 K CB -0.049 32.562 32.500 0.186 0.000 0.714 88 K HN 0.058 nan 8.250 nan 0.000 0.440 89 V N 1.430 121.195 119.914 -0.248 0.000 2.358 89 V HA -0.244 4.009 4.120 0.222 0.000 0.246 89 V C 2.385 178.378 176.094 -0.168 0.000 1.047 89 V CA 1.988 64.021 62.300 -0.445 0.000 1.035 89 V CB -0.696 30.763 31.823 -0.606 0.000 0.658 89 V HN 0.355 nan 8.190 nan 0.000 0.452 90 A N 0.023 122.775 122.820 -0.114 0.000 1.908 90 A HA -0.245 4.208 4.320 0.222 0.000 0.218 90 A C 2.392 179.963 177.584 -0.023 0.000 1.181 90 A CA 2.047 54.047 52.037 -0.062 0.000 0.627 90 A CB -0.444 18.523 19.000 -0.054 0.000 0.818 90 A HN 0.533 nan 8.150 nan 0.000 0.445 91 R N -0.995 119.503 120.500 -0.004 0.000 2.055 91 R HA -0.056 4.417 4.340 0.222 0.000 0.226 91 R C 2.542 178.876 176.300 0.057 0.000 1.135 91 R CA 1.617 57.732 56.100 0.026 0.000 0.959 91 R CB -0.306 30.015 30.300 0.034 0.000 0.854 91 R HN 0.678 nan 8.270 nan 0.000 0.431 92 Q N -0.487 119.370 119.800 0.095 0.000 2.089 92 Q HA 0.112 4.585 4.340 0.222 0.000 0.195 92 Q C 0.254 176.364 176.000 0.183 0.000 0.963 92 Q CA 1.088 56.989 55.803 0.164 0.000 0.834 92 Q CB 0.514 29.421 28.738 0.282 0.000 0.906 92 Q HN 0.211 nan 8.270 nan 0.000 0.452 93 A N 0.864 123.775 122.820 0.151 0.000 3.409 93 A HA 0.247 4.700 4.320 0.222 0.000 0.282 93 A C -2.172 175.351 177.584 -0.102 0.000 1.064 93 A CA -0.971 51.133 52.037 0.112 0.000 0.889 93 A CB 0.454 19.653 19.000 0.331 0.000 1.251 93 A HN -0.008 nan 8.150 nan 0.000 0.538 94 P HA -0.257 nan 4.420 nan 0.000 0.220 94 P C 1.069 178.321 177.300 -0.081 0.000 1.144 94 P CA 1.910 64.975 63.100 -0.059 0.000 0.800 94 P CB -0.287 31.407 31.700 -0.010 0.000 0.772 95 H N -3.325 115.684 119.070 -0.102 0.000 2.491 95 H HA -0.060 4.628 4.556 0.220 0.000 0.290 95 H C 1.791 177.045 175.328 -0.123 0.000 1.050 95 H CA 0.739 56.689 56.048 -0.163 0.000 1.309 95 H CB -1.484 28.105 29.762 -0.288 0.000 1.392 95 H HN 0.187 nan 8.280 nan 0.000 0.554 96 W N 0.932 121.969 121.300 -0.438 0.000 2.436 96 W HA 0.051 4.842 4.660 0.218 0.000 0.284 96 W C 1.817 178.310 176.519 -0.044 0.000 1.225 96 W CA 0.238 57.472 57.345 -0.185 0.000 1.271 96 W CB 0.007 29.313 29.460 -0.258 0.000 1.114 96 W HN 0.170 nan 8.180 nan 0.000 0.559 97 L N -0.282 121.003 121.223 0.104 0.000 2.013 97 L HA -0.336 4.137 4.340 0.222 0.000 0.212 97 L C 2.700 179.621 176.870 0.083 0.000 1.073 97 L CA 1.776 56.646 54.840 0.049 0.000 0.753 97 L CB -1.272 40.766 42.059 -0.035 0.000 0.890 97 L HN -0.020 nan 8.230 nan 0.000 0.432 98 S N -0.332 115.425 115.700 0.096 0.000 2.368 98 S HA -0.186 4.417 4.470 0.222 0.000 0.225 98 S C 2.198 176.960 174.600 0.270 0.000 1.030 98 S CA 1.629 59.941 58.200 0.186 0.000 0.999 98 S CB -0.261 63.069 63.200 0.217 0.000 0.844 98 S HN 0.604 nan 8.310 nan 0.000 0.459 99 S N 0.887 116.764 115.700 0.296 0.000 2.474 99 S HA -0.028 4.574 4.470 0.222 0.000 0.235 99 S C 1.470 176.277 174.600 0.346 0.000 0.997 99 S CA 0.898 59.331 58.200 0.389 0.000 0.949 99 S CB -0.471 63.135 63.200 0.676 0.000 0.766 99 S HN 0.840 nan 8.310 nan 0.000 0.517 100 V N -2.278 117.818 119.914 0.304 0.000 3.319 100 V HA 0.522 4.775 4.120 0.222 0.000 0.317 100 V C 0.640 176.850 176.094 0.193 0.000 1.411 100 V CA 0.065 62.507 62.300 0.237 0.000 1.112 100 V CB -0.020 31.956 31.823 0.256 0.000 1.031 100 V HN 0.323 nan 8.190 nan 0.000 0.448 101 S N 0.094 115.913 115.700 0.198 0.000 2.846 101 S HA 0.296 4.899 4.470 0.222 0.000 0.249 101 S C 0.614 175.377 174.600 0.271 0.000 1.028 101 S CA 0.174 58.480 58.200 0.176 0.000 1.043 101 S CB 0.436 63.678 63.200 0.069 0.000 0.990 101 S HN 0.581 nan 8.310 nan 0.000 0.564 102 S N 1.798 117.633 115.700 0.225 0.000 2.564 102 S HA 0.500 5.103 4.470 0.222 0.000 0.278 102 S C 0.932 175.566 174.600 0.056 0.000 1.333 102 S CA -0.268 58.013 58.200 0.135 0.000 1.048 102 S CB 0.875 64.192 63.200 0.195 0.000 0.900 102 S HN 0.461 nan 8.310 nan 0.000 0.505 103 A N 3.684 126.502 122.820 -0.003 0.000 2.370 103 A HA 0.215 4.668 4.320 0.222 0.000 0.238 103 A C 1.882 179.283 177.584 -0.306 0.000 1.289 103 A CA 0.462 52.442 52.037 -0.095 0.000 0.885 103 A CB -0.875 18.110 19.000 -0.024 0.000 0.961 103 A HN 1.122 nan 8.150 nan 0.000 0.499 104 S N 0.214 115.793 115.700 -0.201 0.000 2.420 104 S HA -0.068 4.535 4.470 0.222 0.000 0.237 104 S C -1.165 173.262 174.600 -0.289 0.000 1.023 104 S CA 0.455 58.521 58.200 -0.222 0.000 0.991 104 S CB -1.454 61.906 63.200 0.266 0.000 0.792 104 S HN 0.403 nan 8.310 nan 0.000 0.488 108 V N -0.139 119.874 119.914 0.164 0.000 3.241 108 V HA -0.040 4.213 4.120 0.222 0.000 0.269 108 V C 1.837 178.001 176.094 0.116 0.000 1.151 108 V CA 2.066 64.438 62.300 0.120 0.000 1.158 108 V CB -0.624 31.266 31.823 0.112 0.000 0.764 108 V HN 0.255 nan 8.190 nan 0.000 0.508 109 A N 1.241 124.148 122.820 0.145 0.000 2.070 109 A HA -0.124 4.329 4.320 0.222 0.000 0.220 109 A C 1.840 179.447 177.584 0.038 0.000 1.159 109 A CA 2.005 54.098 52.037 0.093 0.000 0.656 109 A CB -0.804 18.257 19.000 0.101 0.000 0.800 109 A HN 0.692 nan 8.150 nan 0.000 0.453 110 N N -0.687 118.048 118.700 0.058 0.000 2.236 110 N HA 0.324 5.197 4.740 0.222 0.000 0.196 110 N C 1.447 176.979 175.510 0.037 0.000 1.114 110 N CA 0.526 53.586 53.050 0.016 0.000 0.859 110 N CB 0.160 38.669 38.487 0.036 0.000 0.982 110 N HN 0.402 nan 8.380 nan 0.000 0.493 111 A N 0.425 123.273 122.820 0.047 0.000 1.902 111 A HA 0.388 4.841 4.320 0.222 0.000 0.217 111 A C 1.049 178.643 177.584 0.016 0.000 1.181 111 A CA 1.608 53.669 52.037 0.040 0.000 0.623 111 A CB -0.094 18.934 19.000 0.046 0.000 0.818 111 A HN 0.325 nan 8.150 nan 0.000 0.443 112 A N -3.501 119.315 122.820 -0.006 0.000 2.467 112 A HA 0.593 5.046 4.320 0.222 0.000 0.301 112 A C -0.672 176.881 177.584 -0.050 0.000 1.126 112 A CA 0.014 52.037 52.037 -0.025 0.000 0.632 112 A CB 0.015 18.980 19.000 -0.058 0.000 1.331 112 A HN 0.207 nan 8.150 nan 0.000 0.482 113 T N 1.612 116.127 114.554 -0.065 0.000 2.797 113 T HA 0.596 5.078 4.350 0.222 0.000 0.279 113 T C -0.417 174.186 174.700 -0.162 0.000 0.991 113 T CA -0.256 61.748 62.100 -0.159 0.000 0.979 113 T CB 0.696 69.490 68.868 -0.125 0.000 0.943 113 T HN 0.443 nan 8.240 nan 0.000 0.444 114 I N 2.389 122.834 120.570 -0.208 0.000 2.460 114 I HA 0.662 4.965 4.170 0.222 0.000 0.298 114 I C 0.173 176.268 176.117 -0.037 0.000 0.989 114 I CA -1.208 60.024 61.300 -0.113 0.000 1.173 114 I CB 1.248 39.196 38.000 -0.086 0.000 1.338 114 I HN 0.730 nan 8.210 nan 0.000 0.456 115 A N 7.922 130.770 122.820 0.045 0.000 2.409 115 A HA 0.735 5.188 4.320 0.222 0.000 0.300 115 A C -2.642 175.017 177.584 0.126 0.000 1.273 115 A CA -1.399 50.707 52.037 0.115 0.000 0.774 115 A CB 0.678 19.760 19.000 0.136 0.000 1.144 115 A HN 0.403 nan 8.150 nan 0.000 0.472 116 P HA 0.041 nan 4.420 nan 0.000 0.268 116 P C 1.254 178.628 177.300 0.123 0.000 1.208 116 P CA 0.272 63.443 63.100 0.119 0.000 0.777 116 P CB 0.833 32.607 31.700 0.124 0.000 0.875 117 S N 1.603 117.370 115.700 0.112 0.000 2.440 117 S HA -0.205 4.398 4.470 0.222 0.000 0.238 117 S C 1.755 176.405 174.600 0.082 0.000 1.010 117 S CA 1.114 59.371 58.200 0.096 0.000 0.972 117 S CB -1.222 62.011 63.200 0.054 0.000 0.774 117 S HN 0.493 nan 8.310 nan 0.000 0.501 118 A N 1.402 124.274 122.820 0.086 0.000 2.168 118 A HA 0.035 4.488 4.320 0.222 0.000 0.215 118 A C 1.469 179.097 177.584 0.074 0.000 1.152 118 A CA 1.171 53.255 52.037 0.078 0.000 0.716 118 A CB -0.223 18.833 19.000 0.093 0.000 0.794 118 A HN 0.529 nan 8.150 nan 0.000 0.465 119 D N -1.455 118.994 120.400 0.081 0.000 2.441 119 D HA 0.103 4.876 4.640 0.222 0.000 0.210 119 D C 0.097 176.428 176.300 0.053 0.000 1.102 119 D CA 0.382 54.425 54.000 0.071 0.000 0.840 119 D CB 0.195 41.048 40.800 0.089 0.000 0.990 119 D HN 0.134 nan 8.370 nan 0.000 0.505 120 T N 0.698 115.286 114.554 0.058 0.000 2.909 120 T HA 0.277 4.760 4.350 0.222 0.000 0.289 120 T C 1.729 176.441 174.700 0.021 0.000 1.005 120 T CA -0.397 61.718 62.100 0.026 0.000 1.084 120 T CB 1.519 70.447 68.868 0.100 0.000 0.975 120 T HN -0.109 nan 8.240 nan 0.000 0.509 121 L N 1.701 122.917 121.223 -0.013 0.000 2.217 121 L HA 0.001 4.474 4.340 0.222 0.000 0.211 121 L C 1.649 178.535 176.870 0.027 0.000 1.107 121 L CA 1.045 55.886 54.840 0.001 0.000 0.783 121 L CB -0.235 41.813 42.059 -0.019 0.000 0.919 121 L HN 0.695 nan 8.230 nan 0.000 0.442 122 D N -1.547 118.890 120.400 0.060 0.000 2.402 122 D HA 0.130 4.903 4.640 0.222 0.000 0.216 122 D C 1.362 177.712 176.300 0.083 0.000 1.128 122 D CA 0.348 54.398 54.000 0.084 0.000 0.833 122 D CB 0.217 41.095 40.800 0.129 0.000 0.971 122 D HN 0.105 nan 8.370 nan 0.000 0.503 123 G N 0.182 109.029 108.800 0.077 0.000 2.180 123 G HA2 -0.361 3.732 3.960 0.222 0.000 0.263 123 G HA3 -0.361 3.732 3.960 0.222 0.000 0.263 123 G C 0.231 175.162 174.900 0.051 0.000 0.989 123 G CA 0.657 45.791 45.100 0.056 0.000 0.692 123 G HN 0.489 nan 8.290 nan 0.000 0.526 124 K N -0.846 119.616 120.400 0.103 0.000 2.211 124 K HA 0.647 5.100 4.320 0.222 0.000 0.237 124 K C 0.221 176.879 176.600 0.097 0.000 1.002 124 K CA -0.970 55.327 56.287 0.017 0.000 0.885 124 K CB 2.142 34.594 32.500 -0.080 0.000 1.136 124 K HN -0.013 nan 8.250 nan 0.000 0.448 125 V N 2.660 122.573 119.914 -0.002 0.000 2.461 125 V HA 0.103 4.356 4.120 0.222 0.000 0.275 125 V C -0.097 175.983 176.094 -0.025 0.000 1.047 125 V CA -0.239 62.119 62.300 0.096 0.000 0.955 125 V CB 0.387 32.347 31.823 0.228 0.000 0.988 125 V HN 0.597 nan 8.190 nan 0.000 0.471 126 H N 5.271 124.355 119.070 0.022 0.000 2.469 126 H HA 0.612 5.300 4.556 0.219 0.000 0.342 126 H C -1.225 174.056 175.328 -0.078 0.000 1.115 126 H CA -0.685 55.365 56.048 0.004 0.000 1.204 126 H CB 2.184 32.038 29.762 0.154 0.000 1.492 126 H HN 0.355 nan 8.280 nan 0.000 0.499 127 L N 2.539 123.705 121.223 -0.094 0.000 2.404 127 L HA 0.240 4.713 4.340 0.222 0.000 0.272 127 L C 0.117 176.954 176.870 -0.054 0.000 0.980 127 L CA -0.340 54.413 54.840 -0.145 0.000 0.836 127 L CB 1.948 43.795 42.059 -0.352 0.000 1.238 127 L HN 0.518 nan 8.230 nan 0.000 0.408 128 T N 2.306 116.887 114.554 0.045 0.000 2.772 128 T HA 0.490 4.973 4.350 0.222 0.000 0.288 128 T C 0.161 174.886 174.700 0.041 0.000 0.994 128 T CA -0.462 61.702 62.100 0.106 0.000 0.951 128 T CB 1.298 70.262 68.868 0.160 0.000 0.933 128 T HN 0.207 nan 8.240 nan 0.000 0.447 129 V N 3.253 123.186 119.914 0.032 0.000 2.673 129 V HA 0.323 4.576 4.120 0.222 0.000 0.303 129 V C 0.890 177.008 176.094 0.040 0.000 1.046 129 V CA -0.532 61.781 62.300 0.022 0.000 1.126 129 V CB 0.275 32.110 31.823 0.020 0.000 0.934 129 V HN 1.030 nan 8.190 nan 0.000 0.487 130 A N 3.985 126.828 122.820 0.038 0.000 2.328 130 A HA 0.421 4.874 4.320 0.222 0.000 0.284 130 A C 1.126 178.739 177.584 0.048 0.000 1.160 130 A CA -0.363 51.705 52.037 0.051 0.000 0.818 130 A CB 0.143 19.173 19.000 0.051 0.000 1.087 130 A HN 1.006 nan 8.150 nan 0.000 0.504 131 N N 2.485 121.217 118.700 0.054 0.000 2.309 131 N HA -0.128 4.745 4.740 0.222 0.000 0.182 131 N C 0.484 176.019 175.510 0.043 0.000 1.018 131 N CA 1.071 54.150 53.050 0.048 0.000 0.876 131 N CB -0.842 37.677 38.487 0.053 0.000 0.972 131 N HN 0.747 nan 8.380 nan 0.000 0.434 132 L N 0.097 121.353 121.223 0.055 0.000 3.678 132 L HA -0.269 4.204 4.340 0.222 0.000 0.425 132 L C 1.215 178.111 176.870 0.043 0.000 1.240 132 L CA 0.444 55.314 54.840 0.051 0.000 0.876 132 L CB -2.021 40.049 42.059 0.020 0.000 1.766 132 L HN 0.468 nan 8.230 nan 0.000 0.917 133 N N 1.099 119.837 118.700 0.064 0.000 2.223 133 N HA -0.208 4.665 4.740 0.222 0.000 0.185 133 N C 1.473 177.037 175.510 0.090 0.000 1.016 133 N CA 1.625 54.721 53.050 0.077 0.000 0.863 133 N CB 0.045 38.579 38.487 0.078 0.000 0.983 133 N HN 0.705 nan 8.380 nan 0.000 0.429 134 N N 0.436 119.184 118.700 0.081 0.000 2.104 134 N HA -0.116 4.757 4.740 0.222 0.000 0.190 134 N C -0.425 175.143 175.510 0.097 0.000 1.024 134 N CA 1.010 54.109 53.050 0.083 0.000 0.853 134 N CB 0.129 38.656 38.487 0.066 0.000 1.008 134 N HN 0.095 nan 8.380 nan 0.000 0.424 135 K N 0.942 121.382 120.400 0.066 0.000 2.293 135 K HA 0.058 4.511 4.320 0.222 0.000 0.267 135 K C 0.409 177.084 176.600 0.124 0.000 1.010 135 K CA -0.572 55.773 56.287 0.097 0.000 0.875 135 K CB 0.871 33.350 32.500 -0.036 0.000 1.106 135 K HN 0.075 nan 8.250 nan 0.000 0.450 136 F N 4.600 124.643 119.950 0.155 0.000 2.063 136 F HA -0.364 4.299 4.527 0.228 0.000 0.298 136 F C 2.437 178.346 175.800 0.181 0.000 1.109 136 F CA 2.098 60.211 58.000 0.187 0.000 1.212 136 F CB 0.122 39.288 39.000 0.276 0.000 0.973 136 F HN 0.785 nan 8.300 nan 0.000 0.480 137 H N 0.147 119.178 119.070 -0.066 0.000 2.456 137 H HA -0.075 4.615 4.556 0.224 0.000 0.296 137 H C 1.874 177.119 175.328 -0.138 0.000 1.079 137 H CA 1.624 57.564 56.048 -0.180 0.000 1.322 137 H CB -0.802 28.986 29.762 0.045 0.000 1.388 137 H HN 0.376 nan 8.280 nan 0.000 0.538 138 R N 0.838 120.999 120.500 -0.565 0.000 2.210 138 R HA 0.008 4.481 4.340 0.222 0.000 0.203 138 R C 2.536 178.727 176.300 -0.181 0.000 1.010 138 R CA 0.853 56.745 56.100 -0.347 0.000 1.008 138 R CB 0.059 30.157 30.300 -0.337 0.000 0.923 138 R HN 0.490 nan 8.270 nan 0.000 0.469 139 S N 1.094 116.699 115.700 -0.157 0.000 2.474 139 S HA -0.049 4.554 4.470 0.222 0.000 0.235 139 S C 1.970 176.508 174.600 -0.103 0.000 0.997 139 S CA 0.721 58.877 58.200 -0.073 0.000 0.949 139 S CB -0.354 62.853 63.200 0.011 0.000 0.766 139 S HN 0.223 nan 8.310 nan 0.000 0.517 140 L N 0.817 121.916 121.223 -0.207 0.000 2.376 140 L HA 0.034 4.506 4.340 0.222 0.000 0.219 140 L C 2.652 179.395 176.870 -0.212 0.000 1.133 140 L CA 0.996 55.694 54.840 -0.237 0.000 0.816 140 L CB -0.587 41.262 42.059 -0.349 0.000 0.933 140 L HN 0.376 nan 8.230 nan 0.000 0.449 141 E N 0.750 120.883 120.200 -0.113 0.000 2.047 141 E HA -0.185 4.298 4.350 0.222 0.000 0.191 141 E C 2.410 179.036 176.600 0.043 0.000 0.987 141 E CA 0.999 57.412 56.400 0.022 0.000 0.799 141 E CB -0.203 29.514 29.700 0.028 0.000 0.752 141 E HN 0.464 nan 8.360 nan 0.000 0.449 142 A N 2.081 124.908 122.820 0.012 0.000 1.906 142 A HA -0.247 4.206 4.320 0.222 0.000 0.222 142 A C -0.221 177.363 177.584 -0.000 0.000 1.282 142 A CA 2.372 54.419 52.037 0.017 0.000 0.675 142 A CB -1.920 17.091 19.000 0.018 0.000 0.838 142 A HN 0.177 nan 8.150 nan 0.000 0.469 143 P HA -0.111 nan 4.420 nan 0.000 0.215 143 P C 1.615 178.883 177.300 -0.053 0.000 1.157 143 P CA 1.675 64.768 63.100 -0.012 0.000 0.874 143 P CB -0.154 31.559 31.700 0.022 0.000 0.790 144 V N -0.941 118.905 119.914 -0.114 0.000 2.453 144 V HA -0.182 4.071 4.120 0.222 0.000 0.247 144 V C 2.288 178.229 176.094 -0.254 0.000 1.048 144 V CA 2.299 64.456 62.300 -0.238 0.000 1.049 144 V CB -1.770 29.772 31.823 -0.468 0.000 0.672 144 V HN 0.176 nan 8.190 nan 0.000 0.457 145 T N -0.512 113.975 114.554 -0.112 0.000 2.788 145 T HA -0.226 4.256 4.350 0.222 0.000 0.268 145 T C 1.864 176.547 174.700 -0.028 0.000 1.044 145 T CA 1.761 63.869 62.100 0.012 0.000 1.139 145 T CB -0.147 68.789 68.868 0.114 0.000 0.867 145 T HN 0.618 nan 8.240 nan 0.000 0.454 146 E N 0.617 120.794 120.200 -0.038 0.000 2.051 146 E HA -0.118 4.365 4.350 0.222 0.000 0.192 146 E C 2.342 178.904 176.600 -0.063 0.000 0.991 146 E CA 1.151 57.527 56.400 -0.040 0.000 0.799 146 E CB -0.030 29.655 29.700 -0.026 0.000 0.748 146 E HN 0.344 nan 8.360 nan 0.000 0.449 147 S N 0.770 116.414 115.700 -0.092 0.000 2.368 147 S HA -0.137 4.466 4.470 0.222 0.000 0.225 147 S C 1.979 176.491 174.600 -0.146 0.000 1.030 147 S CA 0.934 59.060 58.200 -0.123 0.000 0.999 147 S CB -0.215 62.888 63.200 -0.161 0.000 0.844 147 S HN 0.267 nan 8.310 nan 0.000 0.459 148 L N 0.960 122.087 121.223 -0.159 0.000 2.046 148 L HA -0.093 4.380 4.340 0.222 0.000 0.208 148 L C 2.256 179.081 176.870 -0.076 0.000 1.077 148 L CA 1.079 55.833 54.840 -0.143 0.000 0.747 148 L CB -0.631 41.369 42.059 -0.098 0.000 0.896 148 L HN 0.290 nan 8.230 nan 0.000 0.432 149 L N -0.342 120.867 121.223 -0.023 0.000 2.083 149 L HA -0.211 4.262 4.340 0.222 0.000 0.209 149 L C 2.512 179.419 176.870 0.062 0.000 1.083 149 L CA 1.345 56.226 54.840 0.068 0.000 0.752 149 L CB -0.425 41.646 42.059 0.020 0.000 0.899 149 L HN 0.207 nan 8.230 nan 0.000 0.433 150 K N -0.091 120.299 120.400 -0.016 0.000 2.211 150 K HA -0.052 4.401 4.320 0.222 0.000 0.203 150 K C 2.059 178.632 176.600 -0.045 0.000 1.050 150 K CA 1.056 57.330 56.287 -0.021 0.000 0.945 150 K CB -0.081 32.395 32.500 -0.040 0.000 0.732 150 K HN 0.272 nan 8.250 nan 0.000 0.451 151 A N 0.392 123.159 122.820 -0.088 0.000 2.081 151 A HA 0.061 4.514 4.320 0.222 0.000 0.214 151 A C 1.858 179.351 177.584 -0.152 0.000 1.158 151 A CA 0.666 52.634 52.037 -0.115 0.000 0.724 151 A CB -0.134 18.778 19.000 -0.147 0.000 0.826 151 A HN 0.119 nan 8.150 nan 0.000 0.463 152 I N -2.284 118.158 120.570 -0.212 0.000 2.628 152 I HA 0.039 4.342 4.170 0.222 0.000 0.255 152 I C 0.082 175.813 176.117 -0.643 0.000 1.119 152 I CA 0.678 61.724 61.300 -0.424 0.000 1.448 152 I CB 0.089 37.763 38.000 -0.544 0.000 1.133 152 I HN 0.213 nan 8.210 nan 0.000 0.438 153 F N 1.521 121.277 119.950 -0.323 0.000 2.461 153 F HA 0.270 4.924 4.527 0.211 0.000 0.321 153 F C 1.357 177.087 175.800 -0.116 0.000 1.203 153 F CA -0.228 57.450 58.000 -0.537 0.000 1.238 153 F CB -0.572 37.911 39.000 -0.861 0.000 1.528 153 F HN 0.012 nan 8.300 nan 0.000 0.554 154 N N 0.501 119.242 118.700 0.069 0.000 2.354 154 N HA -0.145 4.728 4.740 0.222 0.000 0.179 154 N C 0.300 175.904 175.510 0.157 0.000 1.021 154 N CA 0.361 53.465 53.050 0.090 0.000 0.887 154 N CB 0.130 38.626 38.487 0.016 0.000 0.974 154 N HN 0.278 nan 8.380 nan 0.000 0.437 155 D N 1.869 122.428 120.400 0.265 0.000 2.346 155 D HA -0.029 4.744 4.640 0.222 0.000 0.267 155 D C 0.539 176.904 176.300 0.108 0.000 1.320 155 D CA 0.296 54.391 54.000 0.157 0.000 0.951 155 D CB 0.496 41.367 40.800 0.119 0.000 1.079 155 D HN 0.245 nan 8.370 nan 0.000 0.509 156 E N 2.370 122.596 120.200 0.043 0.000 2.409 156 E HA -0.140 4.343 4.350 0.222 0.000 0.198 156 E C 0.973 177.534 176.600 -0.064 0.000 1.024 156 E CA 0.551 56.951 56.400 0.000 0.000 0.861 156 E CB 0.317 30.015 29.700 -0.003 0.000 0.788 156 E HN 0.639 nan 8.360 nan 0.000 0.521 157 E N 0.390 120.537 120.200 -0.089 0.000 2.285 157 E HA -0.054 4.429 4.350 0.222 0.000 0.194 157 E C 1.614 178.091 176.600 -0.204 0.000 0.997 157 E CA 0.516 56.848 56.400 -0.114 0.000 0.845 157 E CB 0.325 29.970 29.700 -0.092 0.000 0.782 157 E HN 0.030 nan 8.360 nan 0.000 0.491 158 K N -0.379 119.806 120.400 -0.358 0.000 2.350 158 K HA 0.170 4.623 4.320 0.222 0.000 0.196 158 K C 0.105 176.203 176.600 -0.837 0.000 1.084 158 K CA 0.401 56.273 56.287 -0.692 0.000 0.967 158 K CB 0.712 32.536 32.500 -1.126 0.000 0.950 158 K HN -0.020 nan 8.250 nan 0.000 0.512 159 F N 0.580 120.486 119.950 -0.073 0.000 2.532 159 F HA 0.357 5.021 4.527 0.229 0.000 0.321 159 F C -0.079 175.579 175.800 -0.238 0.000 1.089 159 F CA -1.059 56.853 58.000 -0.146 0.000 0.926 159 F CB 2.142 41.113 39.000 -0.048 0.000 1.168 159 F HN -0.375 nan 8.300 nan 0.000 0.459 160 S N 1.879 117.440 115.700 -0.231 0.000 2.733 160 S HA 0.503 5.106 4.470 0.222 0.000 0.307 160 S C -0.825 173.414 174.600 -0.601 0.000 1.127 160 S CA -0.674 57.268 58.200 -0.430 0.000 1.097 160 S CB 1.391 64.191 63.200 -0.667 0.000 1.003 160 S HN 0.328 nan 8.310 nan 0.000 0.477 161 V N 5.575 125.225 119.914 -0.439 0.000 2.383 161 V HA 0.372 4.625 4.120 0.222 0.000 0.275 161 V C -0.235 175.613 176.094 -0.411 0.000 1.036 161 V CA -0.538 61.526 62.300 -0.393 0.000 0.889 161 V CB 0.583 32.297 31.823 -0.181 0.000 0.985 161 V HN 0.773 nan 8.190 nan 0.000 0.459 162 H N 2.009 121.080 119.070 0.002 0.000 2.472 162 H HA 0.477 5.165 4.556 0.220 0.000 0.338 162 H C 0.108 175.442 175.328 0.010 0.000 1.133 162 H CA -0.632 55.428 56.048 0.020 0.000 1.216 162 H CB 1.788 31.578 29.762 0.047 0.000 1.497 162 H HN 0.556 nan 8.280 nan 0.000 0.500 163 S N 0.794 116.571 115.700 0.128 0.000 2.584 163 S HA 0.316 4.919 4.470 0.222 0.000 0.270 163 S C 0.677 175.322 174.600 0.074 0.000 1.346 163 S CA -0.590 57.653 58.200 0.072 0.000 1.018 163 S CB 0.733 63.966 63.200 0.055 0.000 0.899 163 S HN 0.777 nan 8.310 nan 0.000 0.542 164 A N 1.745 124.597 122.820 0.053 0.000 2.466 164 A HA 0.371 4.824 4.320 0.222 0.000 0.238 164 A C 0.029 177.640 177.584 0.047 0.000 1.074 164 A CA -0.395 51.673 52.037 0.051 0.000 0.774 164 A CB -0.247 18.779 19.000 0.043 0.000 1.015 164 A HN 0.580 nan 8.150 nan 0.000 0.498 165 L N 1.636 122.886 121.223 0.045 0.000 2.479 165 L HA 0.243 4.715 4.340 0.222 0.000 0.270 165 L C -1.822 175.069 176.870 0.034 0.000 1.236 165 L CA -0.975 53.886 54.840 0.034 0.000 0.823 165 L CB -0.889 41.189 42.059 0.032 0.000 1.098 165 L HN 0.443 nan 8.230 nan 0.000 0.500 166 P HA -0.041 nan 4.420 nan 0.000 0.264 166 P C -0.826 176.498 177.300 0.039 0.000 1.179 166 P CA 0.076 63.194 63.100 0.031 0.000 0.763 166 P CB 0.231 31.944 31.700 0.022 0.000 0.806 167 Q N 2.145 121.973 119.800 0.047 0.000 2.664 167 Q HA 0.230 4.703 4.340 0.222 0.000 0.223 167 Q C -0.199 175.836 176.000 0.059 0.000 1.298 167 Q CA 0.081 55.919 55.803 0.058 0.000 0.965 167 Q CB -0.145 28.634 28.738 0.069 0.000 1.510 167 Q HN 0.264 nan 8.270 nan 0.000 0.567 168 V N -3.019 116.926 119.914 0.053 0.000 3.049 168 V HA 0.648 4.901 4.120 0.222 0.000 0.309 168 V C 0.836 176.960 176.094 0.051 0.000 1.148 168 V CA -0.623 61.706 62.300 0.050 0.000 0.990 168 V CB 1.439 33.283 31.823 0.036 0.000 1.039 168 V HN 0.344 nan 8.190 nan 0.000 0.430 169 A N 1.755 124.607 122.820 0.053 0.000 1.978 169 A HA -0.127 4.326 4.320 0.222 0.000 0.220 169 A C 1.761 179.372 177.584 0.044 0.000 1.170 169 A CA 2.323 54.392 52.037 0.054 0.000 0.636 169 A CB -0.654 18.378 19.000 0.054 0.000 0.810 169 A HN 1.406 nan 8.150 nan 0.000 0.448 170 L N -1.008 120.234 121.223 0.031 0.000 2.191 170 L HA 0.021 4.494 4.340 0.222 0.000 0.212 170 L C 1.193 178.069 176.870 0.010 0.000 1.103 170 L CA 1.659 56.508 54.840 0.015 0.000 0.769 170 L CB -0.181 41.881 42.059 0.004 0.000 0.908 170 L HN 0.354 nan 8.230 nan 0.000 0.438 171 L N 0.021 121.257 121.223 0.022 0.000 3.141 171 L HA 0.392 4.865 4.340 0.222 0.000 0.267 171 L C 0.797 177.696 176.870 0.048 0.000 1.281 171 L CA -0.381 54.472 54.840 0.022 0.000 1.037 171 L CB -0.135 41.932 42.059 0.014 0.000 1.407 171 L HN 0.183 nan 8.230 nan 0.000 0.566 172 G N 0.207 109.045 108.800 0.063 0.000 2.272 172 G HA2 0.156 4.249 3.960 0.222 0.000 0.247 172 G HA3 0.156 4.249 3.960 0.222 0.000 0.247 172 G C -0.875 174.088 174.900 0.106 0.000 1.272 172 G CA 0.228 45.379 45.100 0.086 0.000 0.921 172 G HN 0.252 nan 8.290 nan 0.000 0.495 173 D N 0.970 121.436 120.400 0.109 0.000 2.757 173 D HA 0.302 5.075 4.640 0.222 0.000 0.249 173 D C 0.460 176.838 176.300 0.129 0.000 1.168 173 D CA -0.632 53.445 54.000 0.127 0.000 0.870 173 D CB 1.453 42.317 40.800 0.106 0.000 1.411 173 D HN 0.228 nan 8.370 nan 0.000 0.525 174 E N 2.329 122.622 120.200 0.154 0.000 2.548 174 E HA 0.304 4.787 4.350 0.222 0.000 0.206 174 E C 1.117 177.734 176.600 0.029 0.000 1.005 174 E CA 0.101 56.575 56.400 0.124 0.000 0.951 174 E CB 0.604 30.460 29.700 0.261 0.000 1.035 174 E HN 0.787 nan 8.360 nan 0.000 0.470 175 G N 1.799 110.639 108.800 0.065 0.000 2.569 175 G HA2 -0.404 3.689 3.960 0.222 0.000 0.259 175 G HA3 -0.404 3.689 3.960 0.222 0.000 0.259 175 G C 1.101 176.007 174.900 0.009 0.000 1.263 175 G CA 0.572 45.691 45.100 0.032 0.000 0.928 175 G HN 0.349 nan 8.290 nan 0.000 0.572 176 A N -0.644 122.166 122.820 -0.017 0.000 1.986 176 A HA 0.177 4.630 4.320 0.222 0.000 0.220 176 A C 3.031 180.631 177.584 0.027 0.000 1.171 176 A CA 3.596 55.638 52.037 0.009 0.000 0.640 176 A CB -1.065 17.944 19.000 0.014 0.000 0.811 176 A HN 2.455 nan 8.150 nan 0.000 0.451 177 A N -0.388 122.410 122.820 -0.038 0.000 2.084 177 A HA -0.178 4.275 4.320 0.222 0.000 0.221 177 A C 1.578 179.160 177.584 -0.003 0.000 1.161 177 A CA 1.730 53.720 52.037 -0.079 0.000 0.653 177 A CB -0.382 18.408 19.000 -0.351 0.000 0.802 177 A HN 0.545 nan 8.150 nan 0.000 0.457 178 N N -1.359 117.370 118.700 0.049 0.000 2.204 178 N HA 0.079 4.952 4.740 0.222 0.000 0.219 178 N C -0.254 175.318 175.510 0.104 0.000 1.151 178 N CA -0.017 53.104 53.050 0.118 0.000 0.867 178 N CB 0.108 38.715 38.487 0.199 0.000 1.043 178 N HN 0.706 nan 8.380 nan 0.000 0.516 179 H N 0.711 119.722 119.070 -0.099 0.000 2.567 179 H HA 0.413 5.097 4.556 0.214 0.000 0.345 179 H C -0.750 174.487 175.328 -0.152 0.000 1.169 179 H CA -0.210 55.683 56.048 -0.259 0.000 1.227 179 H CB 1.281 30.838 29.762 -0.342 0.000 1.607 179 H HN 0.005 nan 8.280 nan 0.000 0.534 180 N N 1.949 120.216 118.700 -0.723 0.000 2.484 180 N HA 0.202 5.075 4.740 0.222 0.000 0.269 180 N C -1.383 173.809 175.510 -0.530 0.000 1.237 180 N CA -0.694 52.108 53.050 -0.413 0.000 0.838 180 N CB 3.054 41.421 38.487 -0.200 0.000 1.593 180 N HN 0.541 nan 8.380 nan 0.000 0.485 181 R N 1.671 122.039 120.500 -0.219 0.000 2.510 181 R HA 0.500 4.973 4.340 0.222 0.000 0.294 181 R C -1.634 174.670 176.300 0.006 0.000 1.056 181 R CA -0.397 55.633 56.100 -0.116 0.000 0.918 181 R CB 0.958 31.244 30.300 -0.023 0.000 1.187 181 R HN 0.509 nan 8.270 nan 0.000 0.437 182 L N 3.510 124.733 121.223 0.000 0.000 2.346 182 L HA 0.896 5.369 4.340 0.222 0.000 0.274 182 L C 0.397 177.299 176.870 0.054 0.000 1.007 182 L CA -0.560 54.311 54.840 0.053 0.000 0.818 182 L CB 2.317 44.408 42.059 0.053 0.000 1.284 182 L HN 0.923 nan 8.230 nan 0.000 0.424 183 G N 0.497 109.338 108.800 0.067 0.000 2.317 183 G HA2 0.391 4.484 3.960 0.222 0.000 0.293 183 G HA3 0.391 4.484 3.960 0.222 0.000 0.293 183 G C -0.279 174.636 174.900 0.025 0.000 1.287 183 G CA -0.140 44.994 45.100 0.057 0.000 0.850 183 G HN 0.796 nan 8.290 nan 0.000 0.515 184 G N -0.947 107.877 108.800 0.040 0.000 2.830 184 G HA2 0.398 4.491 3.960 0.222 0.000 0.172 184 G HA3 0.398 4.491 3.960 0.222 0.000 0.172 184 G C 0.175 175.017 174.900 -0.096 0.000 1.782 184 G CA 0.311 45.411 45.100 0.001 0.000 0.900 184 G HN 0.791 nan 8.290 nan 0.000 0.389 185 H N -1.014 118.040 119.070 -0.026 0.000 2.629 185 H HA 0.289 4.978 4.556 0.222 0.000 0.357 185 H C 1.008 176.368 175.328 0.053 0.000 1.121 185 H CA -0.095 55.929 56.048 -0.040 0.000 1.406 185 H CB 0.654 30.432 29.762 0.028 0.000 1.456 185 H HN 0.429 nan 8.280 nan 0.000 0.579 186 Y N 1.185 121.609 120.300 0.206 0.000 2.139 186 Y HA -0.272 4.414 4.550 0.226 0.000 0.282 186 Y C 2.599 178.596 175.900 0.162 0.000 1.179 186 Y CA 0.874 59.079 58.100 0.174 0.000 1.161 186 Y CB -0.230 38.352 38.460 0.203 0.000 0.970 186 Y HN 0.850 nan 8.280 nan 0.000 0.511 187 G N -0.301 108.703 108.800 0.340 0.000 2.559 187 G HA2 -0.084 4.009 3.960 0.222 0.000 0.216 187 G HA3 -0.084 4.009 3.960 0.222 0.000 0.216 187 G C 0.239 175.231 174.900 0.152 0.000 1.126 187 G CA 0.123 45.349 45.100 0.209 0.000 0.778 187 G HN 0.348 nan 8.290 nan 0.000 0.543 188 E N 0.544 120.842 120.200 0.164 0.000 2.318 188 E HA 0.255 4.738 4.350 0.222 0.000 0.265 188 E C -2.475 174.191 176.600 0.110 0.000 1.069 188 E CA -2.110 54.360 56.400 0.117 0.000 0.893 188 E CB 0.773 30.546 29.700 0.121 0.000 1.076 188 E HN -0.041 nan 8.360 nan 0.000 0.414 189 P HA -0.006 nan 4.420 nan 0.000 0.263 189 P C -0.486 176.858 177.300 0.073 0.000 1.195 189 P CA 0.351 63.494 63.100 0.072 0.000 0.762 189 P CB 0.598 32.329 31.700 0.052 0.000 0.799 193 L N 2.957 123.987 121.223 -0.321 0.000 2.316 193 L HA 0.603 5.076 4.340 0.222 0.000 0.280 193 L C -1.848 174.898 176.870 -0.207 0.000 1.006 193 L CA -0.047 54.660 54.840 -0.222 0.000 0.836 193 L CB 0.628 42.552 42.059 -0.226 0.000 1.221 193 L HN 0.456 nan 8.230 nan 0.000 0.418 194 F N 4.876 124.764 119.950 -0.103 0.000 2.405 194 F HA 0.533 5.197 4.527 0.230 0.000 0.355 194 F C 0.123 176.058 175.800 0.225 0.000 1.121 194 F CA -0.443 57.637 58.000 0.133 0.000 1.112 194 F CB 1.632 40.761 39.000 0.216 0.000 1.126 194 F HN 0.141 nan 8.300 nan 0.000 0.481 195 V N 5.280 125.402 119.914 0.348 0.000 2.435 195 V HA 0.406 4.659 4.120 0.222 0.000 0.290 195 V C -0.606 175.693 176.094 0.342 0.000 1.030 195 V CA -0.898 61.568 62.300 0.277 0.000 0.881 195 V CB 0.917 32.876 31.823 0.226 0.000 0.983 195 V HN 0.625 nan 8.190 nan 0.000 0.445 196 Y N 1.552 121.998 120.300 0.243 0.000 2.602 196 Y HA 0.866 5.547 4.550 0.218 0.000 0.342 196 Y C 0.910 176.899 175.900 0.148 0.000 1.029 196 Y CA -0.699 57.520 58.100 0.197 0.000 1.080 196 Y CB 1.825 40.395 38.460 0.182 0.000 1.284 196 Y HN 0.497 nan 8.280 nan 0.000 0.485 197 G N 0.390 109.359 108.800 0.280 0.000 2.762 197 G HA2 0.271 4.364 3.960 0.222 0.000 0.209 197 G HA3 0.271 4.364 3.960 0.222 0.000 0.209 197 G C -0.066 174.968 174.900 0.223 0.000 1.134 197 G CA -0.216 44.979 45.100 0.157 0.000 0.781 197 G HN 0.769 nan 8.290 nan 0.000 0.528 198 R N -0.067 120.655 120.500 0.370 0.000 2.734 198 R HA 0.634 5.107 4.340 0.222 0.000 0.271 198 R C -1.753 174.682 176.300 0.225 0.000 1.021 198 R CA -0.909 55.360 56.100 0.281 0.000 0.893 198 R CB 1.034 31.424 30.300 0.150 0.000 1.244 198 R HN 0.219 nan 8.270 nan 0.000 0.464 199 E N 0.820 121.091 120.200 0.118 0.000 2.372 199 E HA 0.259 4.742 4.350 0.222 0.000 0.279 199 E C -1.143 175.451 176.600 -0.009 0.000 0.946 199 E CA -1.137 55.242 56.400 -0.034 0.000 0.769 199 E CB 1.880 31.494 29.700 -0.144 0.000 1.230 199 E HN 0.444 nan 8.360 nan 0.000 0.442 200 E N 0.639 120.814 120.200 -0.042 0.000 2.414 200 E HA 0.189 4.672 4.350 0.222 0.000 0.263 200 E C 0.953 177.542 176.600 -0.018 0.000 1.000 200 E CA 1.681 58.067 56.400 -0.024 0.000 0.914 200 E CB 1.151 30.829 29.700 -0.036 0.000 0.948 200 E HN 0.921 nan 8.360 nan 0.000 0.444 201 G N 3.814 112.612 108.800 -0.003 0.000 2.284 201 G HA2 -0.328 3.765 3.960 0.222 0.000 0.247 201 G HA3 -0.328 3.765 3.960 0.222 0.000 0.247 201 G C 0.495 175.403 174.900 0.013 0.000 1.012 201 G CA 0.406 45.506 45.100 0.000 0.000 0.618 201 G HN 0.528 nan 8.290 nan 0.000 0.521 202 N N 1.773 120.488 118.700 0.025 0.000 2.406 202 N HA 0.438 5.311 4.740 0.222 0.000 0.251 202 N C 1.187 176.724 175.510 0.045 0.000 1.069 202 N CA 0.346 53.423 53.050 0.045 0.000 0.947 202 N CB 0.896 39.431 38.487 0.080 0.000 1.111 202 N HN 0.367 nan 8.380 nan 0.000 0.497 203 D N 0.711 121.132 120.400 0.035 0.000 2.350 203 D HA -0.091 4.682 4.640 0.222 0.000 0.216 203 D C -0.252 176.068 176.300 0.034 0.000 0.968 203 D CA 0.796 54.813 54.000 0.029 0.000 0.894 203 D CB -0.290 40.523 40.800 0.021 0.000 0.909 203 D HN 0.295 nan 8.370 nan 0.000 0.520 204 T N 1.731 116.311 114.554 0.043 0.000 2.738 204 T HA 0.371 4.854 4.350 0.222 0.000 0.294 204 T C 0.144 174.877 174.700 0.055 0.000 0.914 204 T CA -0.587 61.539 62.100 0.042 0.000 1.052 204 T CB 0.175 69.069 68.868 0.044 0.000 0.897 204 T HN 0.334 nan 8.240 nan 0.000 0.522 205 R N 1.993 122.519 120.500 0.043 0.000 2.709 205 R HA 0.449 4.922 4.340 0.222 0.000 0.270 205 R C -3.584 172.738 176.300 0.036 0.000 1.038 205 R CA -2.141 53.990 56.100 0.052 0.000 0.872 205 R CB -0.183 30.157 30.300 0.067 0.000 1.259 205 R HN 0.182 nan 8.270 nan 0.000 0.473 206 P HA 0.064 nan 4.420 nan 0.000 0.266 206 P C -0.246 177.066 177.300 0.020 0.000 1.193 206 P CA 0.058 63.179 63.100 0.035 0.000 0.770 206 P CB 0.558 32.301 31.700 0.072 0.000 0.836 207 S N 1.107 116.800 115.700 -0.012 0.000 2.666 207 S HA 0.161 4.764 4.470 0.222 0.000 0.239 207 S C 1.152 175.715 174.600 -0.063 0.000 1.031 207 S CA -0.364 57.820 58.200 -0.025 0.000 1.015 207 S CB 0.348 63.530 63.200 -0.030 0.000 0.981 207 S HN 0.433 nan 8.310 nan 0.000 0.547 208 R N 0.434 120.868 120.500 -0.110 0.000 2.444 208 R HA 0.278 4.751 4.340 0.222 0.000 0.201 208 R C -0.983 175.195 176.300 -0.203 0.000 0.861 208 R CA 0.401 56.354 56.100 -0.245 0.000 1.034 208 R CB 0.577 30.605 30.300 -0.454 0.000 1.347 208 R HN 0.412 nan 8.270 nan 0.000 0.659 209 Y N 3.848 124.155 120.300 0.012 0.000 2.426 209 Y HA 0.394 5.082 4.550 0.229 0.000 0.325 209 Y C -1.992 173.922 175.900 0.024 0.000 0.989 209 Y CA -2.517 55.594 58.100 0.019 0.000 1.284 209 Y CB 1.677 40.152 38.460 0.026 0.000 1.104 209 Y HN 0.050 nan 8.280 nan 0.000 0.481 210 P HA -0.087 nan 4.420 nan 0.000 0.264 210 P C -0.360 177.007 177.300 0.112 0.000 1.179 210 P CA 0.155 63.325 63.100 0.116 0.000 0.763 210 P CB 1.035 32.793 31.700 0.096 0.000 0.806 211 A N 4.299 127.181 122.820 0.103 0.000 2.404 211 A HA 0.132 4.585 4.320 0.222 0.000 0.273 211 A C 1.503 179.153 177.584 0.110 0.000 1.144 211 A CA -0.480 51.623 52.037 0.109 0.000 0.806 211 A CB -0.129 18.944 19.000 0.122 0.000 1.080 211 A HN 0.499 nan 8.150 nan 0.000 0.509 212 R N 0.881 121.446 120.500 0.108 0.000 2.193 212 R HA -0.030 4.443 4.340 0.222 0.000 0.213 212 R C 0.377 176.770 176.300 0.156 0.000 1.055 212 R CA 0.720 56.890 56.100 0.117 0.000 0.995 212 R CB 0.074 30.436 30.300 0.103 0.000 0.893 212 R HN 0.775 nan 8.270 nan 0.000 0.459 213 Q N 1.598 121.511 119.800 0.190 0.000 2.307 213 Q HA 0.126 4.599 4.340 0.222 0.000 0.262 213 Q C -0.898 175.236 176.000 0.222 0.000 0.961 213 Q CA -0.363 55.573 55.803 0.221 0.000 0.882 213 Q CB 1.655 30.561 28.738 0.281 0.000 1.264 213 Q HN 0.096 nan 8.270 nan 0.000 0.446 214 T N 0.247 114.896 114.554 0.159 0.000 2.925 214 T HA 0.408 4.891 4.350 0.222 0.000 0.285 214 T C 0.722 175.409 174.700 -0.021 0.000 1.021 214 T CA -0.804 61.347 62.100 0.085 0.000 1.042 214 T CB 1.542 70.424 68.868 0.023 0.000 1.037 214 T HN 0.791 nan 8.240 nan 0.000 0.481 215 R N 0.441 120.750 120.500 -0.317 0.000 2.096 215 R HA -0.112 4.361 4.340 0.222 0.000 0.235 215 R C 1.699 177.751 176.300 -0.414 0.000 1.127 215 R CA 1.700 57.391 56.100 -0.682 0.000 0.968 215 R CB -0.271 29.251 30.300 -1.297 0.000 0.861 215 R HN 0.783 nan 8.270 nan 0.000 0.440 216 E N 0.362 120.390 120.200 -0.287 0.000 2.085 216 E HA -0.177 4.306 4.350 0.222 0.000 0.194 216 E C 1.780 178.286 176.600 -0.156 0.000 0.994 216 E CA 1.641 57.911 56.400 -0.217 0.000 0.801 216 E CB -0.258 29.358 29.700 -0.139 0.000 0.743 216 E HN 0.466 nan 8.360 nan 0.000 0.453 217 A N 0.320 123.091 122.820 -0.081 0.000 1.873 217 A HA -0.153 4.300 4.320 0.222 0.000 0.215 217 A C 2.346 179.928 177.584 -0.004 0.000 1.186 217 A CA 1.676 53.703 52.037 -0.016 0.000 0.616 217 A CB -0.653 18.375 19.000 0.048 0.000 0.823 217 A HN 0.206 nan 8.150 nan 0.000 0.442 218 S N 0.081 115.797 115.700 0.028 0.000 2.359 218 S HA -0.199 4.404 4.470 0.222 0.000 0.224 218 S C 1.819 176.328 174.600 -0.151 0.000 1.035 218 S CA 1.633 59.896 58.200 0.106 0.000 1.018 218 S CB -0.388 63.014 63.200 0.337 0.000 0.876 218 S HN 0.688 nan 8.310 nan 0.000 0.448 219 E N 1.142 121.145 120.200 -0.328 0.000 2.153 219 E HA -0.082 4.401 4.350 0.222 0.000 0.194 219 E C 2.343 178.812 176.600 -0.218 0.000 0.988 219 E CA 0.953 57.096 56.400 -0.428 0.000 0.811 219 E CB -0.236 29.089 29.700 -0.626 0.000 0.746 219 E HN 0.533 nan 8.360 nan 0.000 0.466 220 A N 1.063 123.786 122.820 -0.162 0.000 1.898 220 A HA -0.100 4.353 4.320 0.222 0.000 0.216 220 A C 2.505 180.042 177.584 -0.077 0.000 1.181 220 A CA 0.889 52.863 52.037 -0.105 0.000 0.620 220 A CB -0.498 18.458 19.000 -0.073 0.000 0.819 220 A HN 0.095 nan 8.150 nan 0.000 0.442 221 V N -0.019 119.867 119.914 -0.046 0.000 2.358 221 V HA -0.233 4.020 4.120 0.222 0.000 0.246 221 V C 3.045 179.130 176.094 -0.015 0.000 1.047 221 V CA 1.797 64.109 62.300 0.021 0.000 1.035 221 V CB -1.218 30.697 31.823 0.154 0.000 0.658 221 V HN 0.601 nan 8.190 nan 0.000 0.452 222 A N -0.073 122.646 122.820 -0.170 0.000 1.908 222 A HA -0.246 4.207 4.320 0.222 0.000 0.218 222 A C 2.405 179.947 177.584 -0.070 0.000 1.181 222 A CA 1.922 53.863 52.037 -0.159 0.000 0.627 222 A CB -0.476 18.369 19.000 -0.259 0.000 0.818 222 A HN 0.506 nan 8.150 nan 0.000 0.445 223 R N -0.814 119.634 120.500 -0.088 0.000 2.066 223 R HA 0.002 4.475 4.340 0.222 0.000 0.232 223 R C 2.140 178.359 176.300 -0.135 0.000 1.131 223 R CA 1.377 57.421 56.100 -0.095 0.000 0.955 223 R CB -0.559 29.685 30.300 -0.094 0.000 0.851 223 R HN 0.505 nan 8.270 nan 0.000 0.432 224 L N 1.014 122.149 121.223 -0.148 0.000 2.079 224 L HA -0.201 4.272 4.340 0.222 0.000 0.210 224 L C 1.341 178.039 176.870 -0.286 0.000 1.081 224 L CA 1.088 55.764 54.840 -0.274 0.000 0.752 224 L CB -0.373 41.558 42.059 -0.215 0.000 0.896 224 L HN 0.178 nan 8.230 nan 0.000 0.433 225 N N 0.121 118.761 118.700 -0.099 0.000 2.434 225 N HA -0.058 4.815 4.740 0.222 0.000 0.196 225 N C -0.062 175.240 175.510 -0.347 0.000 1.183 225 N CA 0.175 53.179 53.050 -0.076 0.000 0.849 225 N CB 0.080 38.623 38.487 0.092 0.000 0.992 225 N HN 0.173 nan 8.380 nan 0.000 0.460 226 Q N -1.099 118.510 119.800 -0.317 0.000 2.434 226 Q HA -0.159 4.314 4.340 0.222 0.000 0.299 226 Q C -0.669 175.244 176.000 -0.145 0.000 1.286 226 Q CA 0.459 56.103 55.803 -0.266 0.000 0.872 226 Q CB -2.418 26.069 28.738 -0.419 0.000 1.193 226 Q HN 0.129 nan 8.270 nan 0.000 0.466 227 V N 1.717 121.591 119.914 -0.066 0.000 2.555 227 V HA 0.083 4.336 4.120 0.222 0.000 0.286 227 V C 1.185 177.280 176.094 0.003 0.000 1.044 227 V CA -0.433 61.871 62.300 0.007 0.000 1.026 227 V CB 1.244 33.116 31.823 0.080 0.000 0.981 227 V HN 0.339 nan 8.190 nan 0.000 0.480 228 N N 6.607 125.314 118.700 0.012 0.000 2.411 228 N HA 0.032 4.905 4.740 0.222 0.000 0.265 228 N C -1.612 173.905 175.510 0.012 0.000 1.266 228 N CA -1.088 51.967 53.050 0.009 0.000 0.889 228 N CB 1.601 40.096 38.487 0.014 0.000 1.069 228 N HN 0.317 nan 8.380 nan 0.000 0.476 229 P HA -0.149 nan 4.420 nan 0.000 0.217 229 P C 0.498 177.805 177.300 0.012 0.000 1.148 229 P CA 1.467 64.577 63.100 0.018 0.000 0.834 229 P CB 0.338 32.048 31.700 0.016 0.000 0.783 230 Q N -1.471 118.332 119.800 0.006 0.000 2.451 230 Q HA 0.022 4.495 4.340 0.222 0.000 0.206 230 Q C 1.210 177.204 176.000 -0.010 0.000 0.947 230 Q CA 0.794 56.596 55.803 -0.001 0.000 0.937 230 Q CB -0.242 28.496 28.738 -0.000 0.000 1.025 230 Q HN 0.424 nan 8.270 nan 0.000 0.511 231 Q N -0.488 119.310 119.800 -0.004 0.000 2.201 231 Q HA 0.295 4.767 4.340 0.222 0.000 0.236 231 Q C -0.944 175.048 176.000 -0.013 0.000 0.857 231 Q CA -0.189 55.611 55.803 -0.004 0.000 1.025 231 Q CB 1.353 30.102 28.738 0.019 0.000 1.124 231 Q HN 0.013 nan 8.270 nan 0.000 0.473 232 V N 0.624 120.510 119.914 -0.048 0.000 2.841 232 V HA 0.580 4.832 4.120 0.222 0.000 0.310 232 V C -1.658 174.301 176.094 -0.225 0.000 1.090 232 V CA -0.747 61.479 62.300 -0.122 0.000 0.930 232 V CB 2.117 33.838 31.823 -0.169 0.000 1.014 232 V HN 0.169 nan 8.190 nan 0.000 0.425 233 I N 5.986 126.371 120.570 -0.308 0.000 2.569 233 I HA 0.481 4.784 4.170 0.222 0.000 0.290 233 I C -1.422 174.492 176.117 -0.339 0.000 1.088 233 I CA -0.333 60.815 61.300 -0.253 0.000 1.047 233 I CB 2.210 40.117 38.000 -0.156 0.000 1.237 233 I HN 0.474 nan 8.210 nan 0.000 0.421 234 F N 4.683 124.713 119.950 0.134 0.000 2.411 234 F HA 0.737 5.396 4.527 0.219 0.000 0.352 234 F C 0.453 176.385 175.800 0.220 0.000 1.123 234 F CA -0.534 57.613 58.000 0.244 0.000 1.044 234 F CB 1.734 40.869 39.000 0.224 0.000 1.135 234 F HN 0.408 nan 8.300 nan 0.000 0.461 235 A N 3.420 126.413 122.820 0.288 0.000 2.386 235 A HA 0.566 5.019 4.320 0.222 0.000 0.311 235 A C -1.037 176.397 177.584 -0.251 0.000 1.068 235 A CA -0.772 51.290 52.037 0.040 0.000 0.743 235 A CB 1.560 20.485 19.000 -0.124 0.000 1.258 235 A HN 0.713 nan 8.150 nan 0.000 0.429 236 Q N 1.138 120.684 119.800 -0.422 0.000 2.261 236 Q HA 0.355 4.828 4.340 0.222 0.000 0.252 236 Q C -0.194 175.677 176.000 -0.214 0.000 0.915 236 Q CA -0.433 54.925 55.803 -0.741 0.000 0.915 236 Q CB 0.880 29.324 28.738 -0.490 0.000 1.204 236 Q HN 0.769 nan 8.270 nan 0.000 0.421 237 Q N 2.238 121.924 119.800 -0.190 0.000 2.394 237 Q HA 0.036 4.509 4.340 0.222 0.000 0.248 237 Q C -0.609 175.336 176.000 -0.092 0.000 0.992 237 Q CA -0.074 55.677 55.803 -0.088 0.000 0.888 237 Q CB 0.629 29.312 28.738 -0.092 0.000 1.257 237 Q HN 0.570 nan 8.270 nan 0.000 0.462 238 N N 4.358 122.986 118.700 -0.120 0.000 2.452 238 N HA 0.043 4.916 4.740 0.222 0.000 0.266 238 N C -1.972 173.491 175.510 -0.078 0.000 1.209 238 N CA -1.457 51.540 53.050 -0.089 0.000 0.929 238 N CB 0.860 39.277 38.487 -0.118 0.000 1.063 238 N HN 0.419 nan 8.380 nan 0.000 0.472 239 P HA -0.127 nan 4.420 nan 0.000 0.219 239 P C 0.088 177.371 177.300 -0.029 0.000 1.146 239 P CA 1.135 64.222 63.100 -0.022 0.000 0.808 239 P CB 0.423 32.120 31.700 -0.004 0.000 0.779 240 D N -0.287 120.087 120.400 -0.043 0.000 2.224 240 D HA -0.072 4.701 4.640 0.222 0.000 0.205 240 D C 2.026 178.288 176.300 -0.063 0.000 0.965 240 D CA 0.599 54.570 54.000 -0.048 0.000 0.852 240 D CB -0.582 40.189 40.800 -0.048 0.000 0.947 240 D HN 0.050 nan 8.370 nan 0.000 0.494 241 V N 0.888 120.745 119.914 -0.095 0.000 2.591 241 V HA -0.108 4.145 4.120 0.222 0.000 0.249 241 V C 2.233 178.274 176.094 -0.087 0.000 1.053 241 V CA 0.678 62.896 62.300 -0.136 0.000 1.068 241 V CB -0.090 31.598 31.823 -0.226 0.000 0.689 241 V HN 0.098 nan 8.190 nan 0.000 0.462 242 I N -0.031 120.511 120.570 -0.047 0.000 2.252 242 I HA -0.182 4.121 4.170 0.222 0.000 0.245 242 I C 1.999 178.225 176.117 0.181 0.000 1.102 242 I CA 1.662 62.978 61.300 0.026 0.000 1.385 242 I CB -0.527 37.495 38.000 0.037 0.000 1.064 242 I HN 0.298 nan 8.210 nan 0.000 0.414 243 D N 0.602 121.068 120.400 0.109 0.000 2.378 243 D HA -0.147 4.626 4.640 0.222 0.000 0.222 243 D C 1.773 178.136 176.300 0.105 0.000 0.980 243 D CA 0.933 54.966 54.000 0.056 0.000 0.907 243 D CB -0.058 40.689 40.800 -0.089 0.000 0.899 243 D HN 0.526 nan 8.370 nan 0.000 0.527 244 Q N -1.065 118.818 119.800 0.139 0.000 2.282 244 Q HA 0.281 4.754 4.340 0.222 0.000 0.206 244 Q C 1.005 177.101 176.000 0.160 0.000 0.878 244 Q CA 0.274 56.147 55.803 0.118 0.000 0.944 244 Q CB 1.361 30.095 28.738 -0.007 0.000 1.100 244 Q HN 0.265 nan 8.270 nan 0.000 0.509 245 G N 0.111 109.019 108.800 0.179 0.000 2.227 245 G HA2 -0.182 3.911 3.960 0.222 0.000 0.168 245 G HA3 -0.182 3.911 3.960 0.222 0.000 0.168 245 G C 0.067 174.841 174.900 -0.210 0.000 1.006 245 G CA -0.461 44.630 45.100 -0.015 0.000 0.684 245 G HN 0.141 nan 8.290 nan 0.000 0.489 246 V N 3.688 123.472 119.914 -0.217 0.000 2.223 246 V HA 0.340 4.593 4.120 0.222 0.000 0.249 246 V C 1.443 177.344 176.094 -0.322 0.000 1.233 246 V CA 0.362 62.430 62.300 -0.387 0.000 1.131 246 V CB -1.162 30.477 31.823 -0.306 0.000 1.298 246 V HN 0.466 nan 8.190 nan 0.000 0.498 247 F N 0.911 120.727 119.950 -0.223 0.000 2.710 247 F HA 0.335 4.974 4.527 0.187 0.000 0.298 247 F C 0.795 176.355 175.800 -0.400 0.000 1.137 247 F CA -0.417 57.390 58.000 -0.322 0.000 1.444 247 F CB -0.772 37.965 39.000 -0.439 0.000 1.111 247 F HN 0.424 nan 8.300 nan 0.000 0.580 248 H N -1.383 117.615 119.070 -0.120 0.000 3.012 248 H HA 0.218 4.936 4.556 0.271 0.000 0.367 248 H C 0.267 175.503 175.328 -0.154 0.000 1.211 248 H CA -0.802 55.235 56.048 -0.018 0.000 1.139 248 H CB 1.245 31.061 29.762 0.090 0.000 1.838 248 H HN -0.168 nan 8.280 nan 0.000 0.550 249 N N 0.822 119.562 118.700 0.066 0.000 2.223 249 N HA -0.173 4.700 4.740 0.222 0.000 0.185 249 N C 0.998 176.454 175.510 -0.090 0.000 1.016 249 N CA 1.598 54.622 53.050 -0.044 0.000 0.863 249 N CB 0.089 38.603 38.487 0.045 0.000 0.983 249 N HN 0.674 nan 8.380 nan 0.000 0.429 250 D N -0.787 119.591 120.400 -0.037 0.000 2.348 250 D HA -0.048 4.725 4.640 0.222 0.000 0.248 250 D C 0.723 176.941 176.300 -0.136 0.000 1.142 250 D CA 0.201 54.176 54.000 -0.042 0.000 0.904 250 D CB -0.132 40.672 40.800 0.007 0.000 0.901 250 D HN 0.169 nan 8.370 nan 0.000 0.523 251 V N -0.399 119.358 119.914 -0.262 0.000 3.556 251 V HA 0.193 4.446 4.120 0.222 0.000 0.287 251 V C 1.121 177.044 176.094 -0.286 0.000 1.422 251 V CA -0.008 62.032 62.300 -0.433 0.000 1.038 251 V CB 0.464 31.850 31.823 -0.728 0.000 0.850 251 V HN 0.127 nan 8.190 nan 0.000 0.437 252 I N -0.179 120.197 120.570 -0.323 0.000 4.557 252 I HA 0.713 5.016 4.170 0.222 0.000 0.333 252 I C 0.320 175.824 176.117 -1.022 0.000 1.332 252 I CA 0.266 61.213 61.300 -0.589 0.000 1.240 252 I CB 0.991 38.647 38.000 -0.572 0.000 1.312 252 I HN 0.122 nan 8.210 nan 0.000 0.457 253 A N -0.366 122.142 122.820 -0.519 0.000 2.599 253 A HA 0.767 5.220 4.320 0.222 0.000 0.294 253 A C -1.896 175.694 177.584 0.010 0.000 1.055 253 A CA -0.331 51.496 52.037 -0.350 0.000 0.683 253 A CB 1.436 20.280 19.000 -0.259 0.000 1.278 253 A HN 0.145 nan 8.150 nan 0.000 0.412 254 V N 1.421 121.429 119.914 0.156 0.000 2.932 254 V HA 0.841 5.094 4.120 0.222 0.000 0.307 254 V C -0.401 175.827 176.094 0.224 0.000 1.147 254 V CA 0.380 62.803 62.300 0.204 0.000 0.951 254 V CB 2.319 34.300 31.823 0.265 0.000 1.031 254 V HN 2.035 nan 8.190 nan 0.000 0.426 255 S N 4.281 120.079 115.700 0.163 0.000 2.648 255 S HA 0.853 5.456 4.470 0.222 0.000 0.305 255 S C -0.749 173.939 174.600 0.146 0.000 1.094 255 S CA -0.712 57.580 58.200 0.155 0.000 0.983 255 S CB 1.889 65.154 63.200 0.109 0.000 1.101 255 S HN 1.273 nan 8.310 nan 0.000 0.514 256 N N -0.026 118.758 118.700 0.140 0.000 2.999 256 N HA 0.294 5.167 4.740 0.222 0.000 0.244 256 N C -0.123 175.440 175.510 0.088 0.000 1.106 256 N CA -0.257 52.884 53.050 0.152 0.000 1.018 256 N CB 0.653 39.228 38.487 0.147 0.000 1.600 256 N HN 0.737 nan 8.380 nan 0.000 0.621 257 R N 0.592 121.136 120.500 0.073 0.000 3.992 257 R HA -0.233 4.240 4.340 0.222 0.000 0.330 257 R C 0.762 177.075 176.300 0.021 0.000 0.242 257 R CA 1.840 57.911 56.100 -0.050 0.000 1.095 257 R CB -1.529 28.667 30.300 -0.173 0.000 1.002 257 R HN 0.854 nan 8.270 nan 0.000 0.559 258 Q N 2.098 121.896 119.800 -0.003 0.000 2.360 258 Q HA 0.191 4.664 4.340 0.222 0.000 0.202 258 Q C 0.290 176.311 176.000 0.035 0.000 0.915 258 Q CA 0.485 56.324 55.803 0.060 0.000 0.943 258 Q CB 0.553 29.298 28.738 0.012 0.000 1.064 258 Q HN 0.295 nan 8.270 nan 0.000 0.511 259 V N 2.190 122.113 119.914 0.014 0.000 2.472 259 V HA 0.365 4.618 4.120 0.222 0.000 0.290 259 V C -0.648 175.502 176.094 0.094 0.000 1.037 259 V CA -0.909 61.379 62.300 -0.021 0.000 0.908 259 V CB 1.569 33.380 31.823 -0.020 0.000 0.985 259 V HN 0.305 nan 8.190 nan 0.000 0.454 260 L N 5.692 126.970 121.223 0.092 0.000 2.388 260 L HA 0.550 5.023 4.340 0.222 0.000 0.267 260 L C -1.076 175.953 176.870 0.265 0.000 0.995 260 L CA -0.248 54.725 54.840 0.221 0.000 0.864 260 L CB 1.025 43.286 42.059 0.337 0.000 1.216 260 L HN 0.540 nan 8.230 nan 0.000 0.430 261 F N 6.613 126.644 119.950 0.136 0.000 2.375 261 F HA 0.596 5.252 4.527 0.216 0.000 0.362 261 F C 0.084 176.018 175.800 0.222 0.000 1.129 261 F CA -0.979 57.145 58.000 0.207 0.000 1.154 261 F CB 0.140 39.282 39.000 0.236 0.000 1.205 261 F HN 0.716 nan 8.300 nan 0.000 0.513 262 C N 4.851 124.074 119.300 -0.128 0.000 3.171 262 C HA 0.529 5.122 4.460 0.222 0.000 0.308 262 C C -0.436 174.187 174.990 -0.612 0.000 1.334 262 C CA -0.915 57.770 59.018 -0.555 0.000 1.473 262 C CB 1.605 29.240 27.740 -0.175 0.000 1.866 262 C HN 0.840 nan 8.230 nan 0.000 0.465 263 H N 1.120 119.573 119.070 -1.029 0.000 2.551 263 H HA 0.213 4.901 4.556 0.221 0.000 0.358 263 H C 1.143 176.280 175.328 -0.319 0.000 1.151 263 H CA 1.013 56.735 56.048 -0.543 0.000 1.374 263 H CB 1.724 31.150 29.762 -0.560 0.000 1.473 263 H HN 0.950 nan 8.280 nan 0.000 0.574 264 Q N 2.061 121.669 119.800 -0.320 0.000 2.226 264 Q HA -0.144 4.329 4.340 0.222 0.000 0.204 264 Q C 0.676 176.695 176.000 0.031 0.000 0.975 264 Q CA 1.429 57.170 55.803 -0.103 0.000 0.866 264 Q CB 0.020 28.674 28.738 -0.140 0.000 0.915 264 Q HN 0.637 nan 8.270 nan 0.000 0.440 265 Q N -0.235 119.695 119.800 0.218 0.000 2.212 265 Q HA 0.304 4.777 4.340 0.222 0.000 0.213 265 Q C 1.287 177.181 176.000 -0.176 0.000 0.874 265 Q CA 0.176 55.992 55.803 0.020 0.000 0.965 265 Q CB 0.591 29.326 28.738 -0.006 0.000 1.074 265 Q HN 0.513 nan 8.270 nan 0.000 0.473 266 A N 0.513 123.149 122.820 -0.306 0.000 1.855 266 A HA -0.017 4.436 4.320 0.222 0.000 0.215 266 A C 0.402 177.496 177.584 -0.817 0.000 1.191 266 A CA 1.011 52.615 52.037 -0.721 0.000 0.613 266 A CB 0.079 18.412 19.000 -1.113 0.000 0.829 266 A HN 0.283 nan 8.150 nan 0.000 0.442 267 F N -2.877 117.013 119.950 -0.100 0.000 2.492 267 F HA 0.614 5.271 4.527 0.217 0.000 0.327 267 F C 1.350 177.108 175.800 -0.071 0.000 1.079 267 F CA -0.487 57.458 58.000 -0.092 0.000 0.967 267 F CB 1.522 40.473 39.000 -0.081 0.000 1.169 267 F HN 0.152 nan 8.300 nan 0.000 0.472 268 A N 2.282 125.167 122.820 0.108 0.000 1.859 268 A HA -0.144 4.309 4.320 0.222 0.000 0.217 268 A C 1.452 179.071 177.584 0.057 0.000 1.198 268 A CA 1.452 53.517 52.037 0.046 0.000 0.629 268 A CB -0.406 18.605 19.000 0.017 0.000 0.830 268 A HN 0.766 nan 8.150 nan 0.000 0.446 269 R N -0.795 119.745 120.500 0.067 0.000 3.472 269 R HA 0.238 4.711 4.340 0.222 0.000 0.322 269 R C 1.012 177.343 176.300 0.053 0.000 1.330 269 R CA -0.027 56.100 56.100 0.047 0.000 1.387 269 R CB 0.243 30.560 30.300 0.028 0.000 1.446 269 R HN 0.718 nan 8.270 nan 0.000 0.628 270 Q N 0.606 120.467 119.800 0.101 0.000 2.062 270 Q HA -0.280 4.193 4.340 0.222 0.000 0.209 270 Q C 1.955 177.991 176.000 0.060 0.000 0.996 270 Q CA 2.554 58.433 55.803 0.127 0.000 0.859 270 Q CB -0.042 28.801 28.738 0.175 0.000 0.920 270 Q HN 0.377 nan 8.270 nan 0.000 0.415 271 S N -0.517 115.213 115.700 0.050 0.000 2.372 271 S HA -0.318 4.285 4.470 0.222 0.000 0.227 271 S C 1.932 176.543 174.600 0.018 0.000 1.044 271 S CA 2.019 60.241 58.200 0.037 0.000 1.050 271 S CB -0.331 62.888 63.200 0.031 0.000 0.901 271 S HN 0.553 nan 8.310 nan 0.000 0.447 272 Q N -0.422 119.382 119.800 0.007 0.000 2.079 272 Q HA -0.085 4.387 4.340 0.222 0.000 0.200 272 Q C 2.144 178.118 176.000 -0.043 0.000 0.974 272 Q CA 1.488 57.284 55.803 -0.011 0.000 0.840 272 Q CB -0.276 28.459 28.738 -0.005 0.000 0.898 272 Q HN 0.539 nan 8.270 nan 0.000 0.430 273 L N 0.329 121.511 121.223 -0.068 0.000 1.994 273 L HA -0.170 4.303 4.340 0.222 0.000 0.208 273 L C 1.917 178.687 176.870 -0.166 0.000 1.071 273 L CA 1.737 56.486 54.840 -0.151 0.000 0.745 273 L CB -0.631 41.276 42.059 -0.254 0.000 0.892 273 L HN 0.320 nan 8.230 nan 0.000 0.431 274 L N -0.632 120.543 121.223 -0.080 0.000 2.046 274 L HA -0.189 4.284 4.340 0.222 0.000 0.208 274 L C 2.676 179.544 176.870 -0.003 0.000 1.077 274 L CA 1.205 56.052 54.840 0.011 0.000 0.747 274 L CB -1.074 41.080 42.059 0.158 0.000 0.896 274 L HN 0.396 nan 8.230 nan 0.000 0.432 275 A N 0.124 122.943 122.820 -0.001 0.000 1.902 275 A HA -0.255 4.198 4.320 0.222 0.000 0.217 275 A C 2.191 179.739 177.584 -0.060 0.000 1.181 275 A CA 2.015 54.052 52.037 0.000 0.000 0.623 275 A CB -0.765 18.238 19.000 0.004 0.000 0.818 275 A HN 0.504 nan 8.150 nan 0.000 0.443 276 N N -0.282 118.356 118.700 -0.104 0.000 2.120 276 N HA -0.131 4.742 4.740 0.222 0.000 0.188 276 N C 1.573 176.949 175.510 -0.223 0.000 1.024 276 N CA 1.426 54.397 53.050 -0.131 0.000 0.852 276 N CB -0.172 38.242 38.487 -0.121 0.000 1.003 276 N HN 0.274 nan 8.380 nan 0.000 0.424 277 L N 1.700 122.688 121.223 -0.391 0.000 2.083 277 L HA -0.019 4.454 4.340 0.222 0.000 0.209 277 L C 2.564 179.055 176.870 -0.630 0.000 1.083 277 L CA 1.157 55.568 54.840 -0.715 0.000 0.752 277 L CB -0.781 40.451 42.059 -1.379 0.000 0.899 277 L HN 0.107 nan 8.230 nan 0.000 0.433 278 R N -0.969 119.334 120.500 -0.329 0.000 2.096 278 R HA -0.133 4.340 4.340 0.222 0.000 0.235 278 R C 2.144 178.448 176.300 0.007 0.000 1.127 278 R CA 1.323 57.465 56.100 0.069 0.000 0.968 278 R CB -0.316 30.096 30.300 0.185 0.000 0.861 278 R HN 0.390 nan 8.270 nan 0.000 0.440 279 A N 0.730 123.521 122.820 -0.048 0.000 2.016 279 A HA -0.073 4.380 4.320 0.222 0.000 0.217 279 A C 1.770 179.328 177.584 -0.043 0.000 1.162 279 A CA 0.829 52.847 52.037 -0.031 0.000 0.662 279 A CB 0.001 18.981 19.000 -0.034 0.000 0.812 279 A HN 0.167 nan 8.150 nan 0.000 0.450 280 R N -0.928 119.519 120.500 -0.087 0.000 2.282 280 R HA 0.208 4.681 4.340 0.222 0.000 0.195 280 R C -0.449 175.814 176.300 -0.061 0.000 0.909 280 R CA 0.360 56.415 56.100 -0.076 0.000 1.039 280 R CB 0.019 30.258 30.300 -0.102 0.000 1.015 280 R HN 0.280 nan 8.270 nan 0.000 0.513 281 V N 3.046 122.918 119.914 -0.070 0.000 2.350 281 V HA 0.143 4.396 4.120 0.222 0.000 0.285 281 V C -0.308 175.836 176.094 0.084 0.000 1.014 281 V CA -1.273 61.027 62.300 0.001 0.000 0.831 281 V CB 1.373 33.185 31.823 -0.019 0.000 1.000 281 V HN 0.122 nan 8.190 nan 0.000 0.433 282 N N 3.874 122.613 118.700 0.066 0.000 2.447 282 N HA 0.320 5.193 4.740 0.222 0.000 0.263 282 N C 1.256 176.818 175.510 0.086 0.000 1.226 282 N CA 1.683 54.775 53.050 0.070 0.000 0.906 282 N CB 0.774 39.291 38.487 0.051 0.000 1.060 282 N HN 1.054 nan 8.380 nan 0.000 0.468 283 G N 2.859 111.708 108.800 0.082 0.000 2.168 283 G HA2 -0.342 3.751 3.960 0.222 0.000 0.263 283 G HA3 -0.342 3.751 3.960 0.222 0.000 0.263 283 G C 0.286 175.229 174.900 0.072 0.000 0.977 283 G CA 0.383 45.516 45.100 0.056 0.000 0.659 283 G HN 0.693 nan 8.290 nan 0.000 0.533 287 I N 2.791 123.405 120.570 0.072 0.000 2.347 287 I HA 0.248 4.551 4.170 0.222 0.000 0.283 287 I C -0.020 176.239 176.117 0.237 0.000 1.058 287 I CA -0.070 61.347 61.300 0.196 0.000 1.202 287 I CB 1.153 39.350 38.000 0.329 0.000 1.386 287 I HN 0.651 nan 8.210 nan 0.000 0.475 288 E N 5.406 125.683 120.200 0.128 0.000 2.200 288 E HA 0.342 4.825 4.350 0.222 0.000 0.283 288 E C -0.786 175.819 176.600 0.008 0.000 1.015 288 E CA -0.680 55.744 56.400 0.039 0.000 0.819 288 E CB 2.418 32.122 29.700 0.008 0.000 1.081 288 E HN 0.265 nan 8.360 nan 0.000 0.397 289 V N 5.995 125.836 119.914 -0.121 0.000 2.368 289 V HA 0.184 4.436 4.120 0.222 0.000 0.266 289 V C -1.838 173.976 176.094 -0.466 0.000 1.045 289 V CA -1.817 60.316 62.300 -0.279 0.000 0.899 289 V CB 0.409 32.020 31.823 -0.354 0.000 1.006 289 V HN 0.588 nan 8.190 nan 0.000 0.470 290 P HA 0.111 nan 4.420 nan 0.000 0.271 290 P C 0.660 177.797 177.300 -0.270 0.000 1.216 290 P CA -0.060 62.893 63.100 -0.245 0.000 0.776 290 P CB 1.369 33.010 31.700 -0.099 0.000 0.881 291 A N 3.425 126.142 122.820 -0.172 0.000 1.978 291 A HA -0.193 4.260 4.320 0.222 0.000 0.220 291 A C 2.118 179.707 177.584 0.007 0.000 1.170 291 A CA 2.516 54.557 52.037 0.007 0.000 0.636 291 A CB -1.981 17.078 19.000 0.099 0.000 0.810 291 A HN 0.677 nan 8.150 nan 0.000 0.448 292 T N -2.204 112.342 114.554 -0.015 0.000 2.720 292 T HA -0.263 4.219 4.350 0.222 0.000 0.268 292 T C 1.903 176.609 174.700 0.009 0.000 1.037 292 T CA 1.724 63.827 62.100 0.005 0.000 1.144 292 T CB -0.447 68.424 68.868 0.005 0.000 0.864 292 T HN 0.607 nan 8.240 nan 0.000 0.444 293 Q N 0.327 120.114 119.800 -0.022 0.000 2.062 293 Q HA 0.163 4.636 4.340 0.222 0.000 0.196 293 Q C 0.166 176.151 176.000 -0.026 0.000 0.967 293 Q CA 0.792 56.588 55.803 -0.013 0.000 0.832 293 Q CB 0.287 29.005 28.738 -0.033 0.000 0.899 293 Q HN 0.411 nan 8.270 nan 0.000 0.442 294 V N 1.512 121.381 119.914 -0.076 0.000 2.524 294 V HA 0.164 4.417 4.120 0.222 0.000 0.297 294 V C -0.178 175.991 176.094 0.125 0.000 1.035 294 V CA -0.719 61.569 62.300 -0.019 0.000 0.867 294 V CB 1.663 33.406 31.823 -0.133 0.000 1.004 294 V HN 0.240 nan 8.190 nan 0.000 0.426 295 S N 3.693 119.454 115.700 0.101 0.000 2.624 295 S HA 0.400 5.003 4.470 0.222 0.000 0.263 295 S C 1.171 175.780 174.600 0.015 0.000 1.287 295 S CA -0.373 57.887 58.200 0.099 0.000 0.990 295 S CB 1.611 64.842 63.200 0.052 0.000 0.950 295 S HN 0.379 nan 8.310 nan 0.000 0.561 296 V N 1.709 121.552 119.914 -0.117 0.000 2.407 296 V HA -0.157 4.096 4.120 0.222 0.000 0.248 296 V C 2.744 178.765 176.094 -0.120 0.000 1.055 296 V CA 2.283 64.429 62.300 -0.257 0.000 1.049 296 V CB -1.510 30.153 31.823 -0.267 0.000 0.662 296 V HN 0.960 nan 8.190 nan 0.000 0.455 297 S N 0.291 115.959 115.700 -0.053 0.000 2.359 297 S HA -0.253 4.350 4.470 0.222 0.000 0.224 297 S C 1.742 176.339 174.600 -0.006 0.000 1.035 297 S CA 1.763 59.957 58.200 -0.010 0.000 1.018 297 S CB -0.510 62.702 63.200 0.021 0.000 0.876 297 S HN 0.606 nan 8.310 nan 0.000 0.448 298 D N 1.149 121.540 120.400 -0.016 0.000 2.123 298 D HA -0.072 4.701 4.640 0.222 0.000 0.196 298 D C 2.122 178.346 176.300 -0.127 0.000 0.992 298 D CA 1.316 55.256 54.000 -0.099 0.000 0.833 298 D CB -0.857 39.858 40.800 -0.143 0.000 0.954 298 D HN 0.309 nan 8.370 nan 0.000 0.455 299 T N 0.528 115.036 114.554 -0.077 0.000 2.684 299 T HA -0.110 4.373 4.350 0.222 0.000 0.267 299 T C 2.208 176.888 174.700 -0.033 0.000 1.036 299 T CA 0.964 63.036 62.100 -0.046 0.000 1.148 299 T CB -0.306 68.555 68.868 -0.011 0.000 0.863 299 T HN -0.028 nan 8.240 nan 0.000 0.436 300 V N 1.918 121.810 119.914 -0.036 0.000 2.427 300 V HA -0.146 4.107 4.120 0.222 0.000 0.248 300 V C 2.757 178.958 176.094 0.178 0.000 1.051 300 V CA 1.978 64.289 62.300 0.017 0.000 1.048 300 V CB -0.766 31.053 31.823 -0.006 0.000 0.666 300 V HN 0.661 nan 8.190 nan 0.000 0.456 301 S N 0.569 116.331 115.700 0.104 0.000 2.414 301 S HA -0.155 4.448 4.470 0.222 0.000 0.227 301 S C 1.978 176.646 174.600 0.113 0.000 1.022 301 S CA 1.491 59.757 58.200 0.109 0.000 0.958 301 S CB -0.495 62.756 63.200 0.085 0.000 0.797 301 S HN 0.717 nan 8.310 nan 0.000 0.493 302 T N -4.246 110.358 114.554 0.084 0.000 3.051 302 T HA 0.154 4.637 4.350 0.222 0.000 0.255 302 T C 0.374 175.198 174.700 0.206 0.000 1.085 302 T CA 0.238 62.384 62.100 0.077 0.000 1.109 302 T CB -0.729 68.111 68.868 -0.048 0.000 0.921 302 T HN 0.284 nan 8.240 nan 0.000 0.488 303 Y N 0.156 120.433 120.300 -0.038 0.000 3.790 303 Y HA -0.166 4.504 4.550 0.200 0.000 0.226 303 Y C 1.147 177.034 175.900 -0.021 0.000 1.257 303 Y CA -0.244 57.846 58.100 -0.017 0.000 1.765 303 Y CB -2.313 36.154 38.460 0.011 0.000 1.552 303 Y HN 0.354 nan 8.280 nan 0.000 0.650 304 L N -0.777 120.433 121.223 -0.022 0.000 2.081 304 L HA -0.177 4.296 4.340 0.222 0.000 0.212 304 L C 1.868 178.585 176.870 -0.254 0.000 1.080 304 L CA 2.294 57.030 54.840 -0.173 0.000 0.754 304 L CB -0.595 41.215 42.059 -0.415 0.000 0.893 304 L HN 0.287 nan 8.230 nan 0.000 0.433 305 F N -1.125 118.800 119.950 -0.041 0.000 2.797 305 F HA 0.107 4.761 4.527 0.213 0.000 0.302 305 F C 1.777 177.546 175.800 -0.051 0.000 1.130 305 F CA 0.240 58.198 58.000 -0.071 0.000 1.387 305 F CB -0.327 38.546 39.000 -0.212 0.000 1.107 305 F HN 0.227 nan 8.300 nan 0.000 0.577 306 N N 0.859 119.596 118.700 0.062 0.000 2.389 306 N HA -0.006 4.867 4.740 0.222 0.000 0.237 306 N C -0.058 175.543 175.510 0.151 0.000 1.148 306 N CA -0.102 52.986 53.050 0.063 0.000 0.854 306 N CB 0.226 38.734 38.487 0.035 0.000 1.115 306 N HN 0.158 nan 8.380 nan 0.000 0.492 307 S N -0.526 115.273 115.700 0.164 0.000 2.672 307 S HA 0.318 4.921 4.470 0.222 0.000 0.276 307 S C -0.130 174.554 174.600 0.140 0.000 1.207 307 S CA -0.698 57.597 58.200 0.159 0.000 1.002 307 S CB 1.909 65.212 63.200 0.171 0.000 0.998 307 S HN 0.175 nan 8.310 nan 0.000 0.542 308 Q N 0.454 120.310 119.800 0.094 0.000 2.278 308 Q HA 0.471 4.944 4.340 0.222 0.000 0.257 308 Q C -1.312 174.710 176.000 0.036 0.000 0.928 308 Q CA -0.666 55.171 55.803 0.057 0.000 0.932 308 Q CB 1.481 30.218 28.738 -0.002 0.000 1.221 308 Q HN 0.580 nan 8.270 nan 0.000 0.434 309 L N 5.073 126.332 121.223 0.059 0.000 2.272 309 L HA 0.380 4.853 4.340 0.222 0.000 0.284 309 L C -1.413 175.480 176.870 0.038 0.000 1.045 309 L CA 0.044 54.907 54.840 0.038 0.000 0.842 309 L CB 0.302 42.410 42.059 0.082 0.000 1.224 309 L HN 0.537 nan 8.230 nan 0.000 0.430 310 L N 2.743 123.951 121.223 -0.026 0.000 2.375 310 L HA 0.602 5.075 4.340 0.222 0.000 0.268 310 L C 0.365 177.320 176.870 0.141 0.000 1.058 310 L CA -0.561 54.283 54.840 0.008 0.000 0.803 310 L CB 1.585 43.424 42.059 -0.368 0.000 1.212 310 L HN 0.469 nan 8.230 nan 0.000 0.451 311 S N 0.448 116.326 115.700 0.297 0.000 2.482 311 S HA 0.565 5.168 4.470 0.222 0.000 0.303 311 S C -0.394 174.367 174.600 0.269 0.000 1.091 311 S CA -0.769 57.564 58.200 0.222 0.000 1.057 311 S CB 1.807 65.072 63.200 0.108 0.000 1.031 311 S HN 0.454 nan 8.310 nan 0.000 0.485 312 R N 0.731 121.307 120.500 0.127 0.000 2.700 312 R HA 0.328 4.801 4.340 0.222 0.000 0.253 312 R C 0.255 176.519 176.300 -0.060 0.000 1.091 312 R CA -0.808 55.287 56.100 -0.008 0.000 1.104 312 R CB 0.388 30.687 30.300 -0.002 0.000 1.202 312 R HN 0.561 nan 8.270 nan 0.000 0.532 313 D N 1.074 121.407 120.400 -0.111 0.000 2.178 313 D HA -0.141 4.632 4.640 0.222 0.000 0.202 313 D C 0.947 177.225 176.300 -0.036 0.000 0.974 313 D CA 1.402 55.357 54.000 -0.075 0.000 0.841 313 D CB -0.069 40.678 40.800 -0.088 0.000 0.953 313 D HN 0.522 nan 8.370 nan 0.000 0.478 314 D N -0.815 119.561 120.400 -0.039 0.000 2.363 314 D HA 0.055 4.828 4.640 0.222 0.000 0.226 314 D C 1.570 177.851 176.300 -0.033 0.000 1.020 314 D CA 0.874 54.858 54.000 -0.027 0.000 0.892 314 D CB -0.128 40.656 40.800 -0.027 0.000 0.900 314 D HN 0.245 nan 8.370 nan 0.000 0.531 315 G N -0.028 108.745 108.800 -0.046 0.000 2.213 315 G HA2 -0.296 3.797 3.960 0.222 0.000 0.236 315 G HA3 -0.296 3.797 3.960 0.222 0.000 0.236 315 G C 0.556 175.423 174.900 -0.055 0.000 0.991 315 G CA 0.421 45.480 45.100 -0.069 0.000 0.629 315 G HN 0.802 nan 8.290 nan 0.000 0.517 320 V N 5.038 124.983 119.914 0.053 0.000 2.364 320 V HA 0.479 4.732 4.120 0.222 0.000 0.272 320 V C -0.128 176.070 176.094 0.172 0.000 1.036 320 V CA -0.200 62.186 62.300 0.143 0.000 0.880 320 V CB 1.379 33.263 31.823 0.101 0.000 0.991 320 V HN 0.400 nan 8.190 nan 0.000 0.460 321 L N 7.829 129.181 121.223 0.216 0.000 2.323 321 L HA 0.704 5.177 4.340 0.222 0.000 0.265 321 L C -2.415 174.580 176.870 0.207 0.000 1.012 321 L CA -1.846 53.114 54.840 0.201 0.000 0.820 321 L CB 2.199 44.380 42.059 0.203 0.000 1.334 321 L HN 0.361 nan 8.230 nan 0.000 0.427 322 P HA 0.147 nan 4.420 nan 0.000 0.279 322 P C -0.267 177.078 177.300 0.076 0.000 1.252 322 P CA -0.493 62.689 63.100 0.137 0.000 0.811 322 P CB 1.132 32.904 31.700 0.120 0.000 1.035 323 Q N 0.395 120.218 119.800 0.037 0.000 2.173 323 Q HA -0.249 4.224 4.340 0.222 0.000 0.208 323 Q C 1.502 177.473 176.000 -0.049 0.000 0.989 323 Q CA 1.988 57.769 55.803 -0.036 0.000 0.872 323 Q CB -0.182 28.535 28.738 -0.035 0.000 0.909 323 Q HN 0.491 nan 8.270 nan 0.000 0.420 324 E N -0.654 119.545 120.200 -0.001 0.000 2.219 324 E HA -0.194 4.289 4.350 0.222 0.000 0.198 324 E C 1.801 178.432 176.600 0.052 0.000 0.998 324 E CA 1.131 57.544 56.400 0.022 0.000 0.818 324 E CB -0.278 29.443 29.700 0.034 0.000 0.741 324 E HN 0.363 nan 8.360 nan 0.000 0.477 325 C N -0.133 119.203 119.300 0.061 0.000 2.450 325 C HA 0.035 4.627 4.460 0.222 0.000 0.279 325 C C 2.508 177.566 174.990 0.114 0.000 1.335 325 C CA 0.471 59.571 59.018 0.136 0.000 1.749 325 C CB -0.637 27.224 27.740 0.202 0.000 1.963 325 C HN 0.397 nan 8.230 nan 0.000 0.501 326 R N 1.104 121.468 120.500 -0.225 0.000 2.127 326 R HA -0.037 4.436 4.340 0.222 0.000 0.217 326 R C 1.710 177.722 176.300 -0.480 0.000 1.074 326 R CA 1.057 56.648 56.100 -0.849 0.000 0.991 326 R CB -0.098 29.549 30.300 -1.088 0.000 0.895 326 R HN 0.577 nan 8.270 nan 0.000 0.450 327 E N -1.034 119.046 120.200 -0.200 0.000 2.482 327 E HA -0.113 4.370 4.350 0.222 0.000 0.196 327 E C -0.307 176.301 176.600 0.012 0.000 1.047 327 E CA 0.296 56.637 56.400 -0.099 0.000 0.869 327 E CB 0.095 29.760 29.700 -0.059 0.000 0.836 327 E HN 0.347 nan 8.360 nan 0.000 0.520 328 H N -0.227 118.841 119.070 -0.003 0.000 2.685 328 H HA 0.363 5.053 4.556 0.224 0.000 0.286 328 H C 0.923 176.329 175.328 0.131 0.000 1.102 328 H CA -0.248 55.837 56.048 0.063 0.000 1.254 328 H CB 0.893 30.703 29.762 0.081 0.000 1.397 328 H HN 0.050 nan 8.280 nan 0.000 0.473 329 A N 3.699 126.530 122.820 0.018 0.000 1.903 329 A HA -0.234 4.219 4.320 0.222 0.000 0.219 329 A C 2.465 180.184 177.584 0.224 0.000 1.191 329 A CA 1.979 54.088 52.037 0.120 0.000 0.638 329 A CB -1.254 17.758 19.000 0.019 0.000 0.823 329 A HN 0.866 nan 8.150 nan 0.000 0.451 330 G N -1.038 107.890 108.800 0.213 0.000 2.421 330 G HA2 -0.098 3.995 3.960 0.222 0.000 0.216 330 G HA3 -0.098 3.995 3.960 0.222 0.000 0.216 330 G C 1.524 176.660 174.900 0.394 0.000 1.171 330 G CA 1.285 46.578 45.100 0.322 0.000 0.775 330 G HN 0.363 nan 8.290 nan 0.000 0.543 331 V N -0.322 119.917 119.914 0.543 0.000 2.379 331 V HA -0.088 4.165 4.120 0.222 0.000 0.245 331 V C 2.238 178.563 176.094 0.384 0.000 1.044 331 V CA 1.417 63.904 62.300 0.312 0.000 1.036 331 V CB -0.561 31.328 31.823 0.109 0.000 0.664 331 V HN 0.626 nan 8.190 nan 0.000 0.453 332 W N 1.068 122.469 121.300 0.169 0.000 2.338 332 W HA -0.167 4.624 4.660 0.218 0.000 0.304 332 W C 2.163 178.731 176.519 0.083 0.000 1.212 332 W CA 1.371 58.777 57.345 0.102 0.000 1.264 332 W CB -0.289 29.219 29.460 0.079 0.000 1.142 332 W HN 0.376 nan 8.180 nan 0.000 0.512 333 G N -0.474 108.432 108.800 0.176 0.000 2.421 333 G HA2 -0.404 3.689 3.960 0.222 0.000 0.216 333 G HA3 -0.404 3.689 3.960 0.222 0.000 0.216 333 G C 1.187 176.077 174.900 -0.017 0.000 1.171 333 G CA 1.197 46.319 45.100 0.036 0.000 0.775 333 G HN 0.430 nan 8.290 nan 0.000 0.543 334 Y N 1.247 121.541 120.300 -0.010 0.000 2.181 334 Y HA -0.043 4.639 4.550 0.220 0.000 0.288 334 Y C 2.544 178.396 175.900 -0.081 0.000 1.146 334 Y CA 1.367 59.454 58.100 -0.021 0.000 1.164 334 Y CB -0.279 38.197 38.460 0.026 0.000 0.982 334 Y HN 0.119 nan 8.280 nan 0.000 0.515 335 L N 0.268 121.364 121.223 -0.212 0.000 2.046 335 L HA -0.274 4.199 4.340 0.222 0.000 0.208 335 L C 2.340 178.907 176.870 -0.504 0.000 1.077 335 L CA 1.554 56.175 54.840 -0.366 0.000 0.747 335 L CB -0.702 41.194 42.059 -0.272 0.000 0.896 335 L HN 0.320 nan 8.230 nan 0.000 0.432 336 N N -0.214 118.159 118.700 -0.545 0.000 2.223 336 N HA -0.230 4.643 4.740 0.222 0.000 0.185 336 N C 1.798 177.101 175.510 -0.344 0.000 1.016 336 N CA 1.302 54.070 53.050 -0.470 0.000 0.863 336 N CB 0.024 38.240 38.487 -0.452 0.000 0.983 336 N HN 0.470 nan 8.380 nan 0.000 0.429 337 E N 0.755 120.747 120.200 -0.347 0.000 2.072 337 E HA -0.138 4.345 4.350 0.222 0.000 0.190 337 E C 2.056 178.450 176.600 -0.343 0.000 0.982 337 E CA 0.438 56.663 56.400 -0.292 0.000 0.803 337 E CB 0.021 29.569 29.700 -0.253 0.000 0.755 337 E HN 0.083 nan 8.360 nan 0.000 0.453 338 L N 0.966 121.878 121.223 -0.518 0.000 2.083 338 L HA -0.132 4.341 4.340 0.222 0.000 0.209 338 L C 2.238 178.921 176.870 -0.310 0.000 1.083 338 L CA 1.285 55.851 54.840 -0.457 0.000 0.752 338 L CB -0.562 41.141 42.059 -0.594 0.000 0.899 338 L HN 0.265 nan 8.230 nan 0.000 0.433 339 L N -0.304 120.734 121.223 -0.309 0.000 2.131 339 L HA -0.053 4.420 4.340 0.222 0.000 0.210 339 L C 2.296 179.057 176.870 -0.182 0.000 1.092 339 L CA 1.964 56.661 54.840 -0.238 0.000 0.759 339 L CB -0.798 41.113 42.059 -0.247 0.000 0.903 339 L HN 0.306 nan 8.230 nan 0.000 0.435 340 A N -1.037 121.675 122.820 -0.180 0.000 2.132 340 A HA 0.510 4.963 4.320 0.222 0.000 0.213 340 A C 1.434 178.948 177.584 -0.117 0.000 1.154 340 A CA 0.444 52.400 52.037 -0.134 0.000 0.753 340 A CB -0.715 18.210 19.000 -0.125 0.000 0.826 340 A HN 0.420 nan 8.150 nan 0.000 0.469 341 A N 0.226 122.966 122.820 -0.134 0.000 2.327 341 A HA 0.370 4.823 4.320 0.222 0.000 0.255 341 A C -0.035 177.494 177.584 -0.092 0.000 1.099 341 A CA 0.105 52.078 52.037 -0.106 0.000 0.801 341 A CB -0.075 18.856 19.000 -0.114 0.000 1.062 341 A HN 0.245 nan 8.150 nan 0.000 0.496 342 D N 0.305 120.662 120.400 -0.071 0.000 2.455 342 D HA 0.359 5.132 4.640 0.222 0.000 0.234 342 D C -0.382 175.877 176.300 -0.069 0.000 1.224 342 D CA 0.246 54.208 54.000 -0.063 0.000 0.999 342 D CB -0.722 40.050 40.800 -0.048 0.000 1.072 342 D HN 0.631 nan 8.370 nan 0.000 0.514 343 N N 0.728 119.379 118.700 -0.081 0.000 3.046 343 N HA 0.392 5.265 4.740 0.222 0.000 0.243 343 N C -2.461 172.994 175.510 -0.092 0.000 1.452 343 N CA -1.166 51.831 53.050 -0.088 0.000 0.882 343 N CB 0.481 38.908 38.487 -0.101 0.000 1.425 343 N HN -0.201 nan 8.380 nan 0.000 0.517 344 P HA 0.149 nan 4.420 nan 0.000 0.222 344 P C -0.284 176.962 177.300 -0.090 0.000 1.147 344 P CA 0.734 63.783 63.100 -0.084 0.000 0.790 344 P CB 0.127 31.779 31.700 -0.080 0.000 0.780 345 I N 0.571 121.067 120.570 -0.123 0.000 2.576 345 I HA -0.042 4.261 4.170 0.222 0.000 0.288 345 I C 1.238 177.282 176.117 -0.122 0.000 1.126 345 I CA 0.424 61.641 61.300 -0.139 0.000 1.362 345 I CB 0.239 38.110 38.000 -0.215 0.000 1.419 345 I HN 0.001 nan 8.210 nan 0.000 0.533 346 S N 3.685 119.333 115.700 -0.087 0.000 2.559 346 S HA 0.241 4.844 4.470 0.222 0.000 0.226 346 S C 0.230 174.790 174.600 -0.066 0.000 1.000 346 S CA -0.421 57.735 58.200 -0.075 0.000 0.948 346 S CB 0.327 63.497 63.200 -0.050 0.000 0.870 346 S HN 0.724 nan 8.310 nan 0.000 0.497 347 E N 0.350 120.512 120.200 -0.063 0.000 2.372 347 E HA 0.553 5.036 4.350 0.222 0.000 0.279 347 E C -1.965 174.605 176.600 -0.050 0.000 0.946 347 E CA -0.802 55.571 56.400 -0.045 0.000 0.769 347 E CB 1.599 31.297 29.700 -0.003 0.000 1.230 347 E HN 0.299 nan 8.360 nan 0.000 0.442 348 L N 3.265 124.468 121.223 -0.033 0.000 2.341 348 L HA 0.574 5.047 4.340 0.222 0.000 0.278 348 L C -0.462 176.442 176.870 0.057 0.000 1.005 348 L CA -0.740 54.105 54.840 0.008 0.000 0.818 348 L CB 1.775 43.828 42.059 -0.009 0.000 1.259 348 L HN 0.374 nan 8.230 nan 0.000 0.418 349 K N 2.507 122.945 120.400 0.064 0.000 2.463 349 K HA 0.656 5.109 4.320 0.222 0.000 0.255 349 K C -1.466 175.145 176.600 0.019 0.000 0.942 349 K CA -0.527 55.763 56.287 0.005 0.000 0.814 349 K CB 2.103 34.612 32.500 0.016 0.000 1.122 349 K HN 0.325 nan 8.250 nan 0.000 0.425 350 V N 4.950 124.791 119.914 -0.123 0.000 2.483 350 V HA 0.571 4.824 4.120 0.222 0.000 0.295 350 V C -0.822 175.093 176.094 -0.298 0.000 1.035 350 V CA -0.650 61.601 62.300 -0.082 0.000 0.896 350 V CB 1.065 32.837 31.823 -0.085 0.000 0.986 350 V HN 0.601 nan 8.190 nan 0.000 0.447 351 F N 1.280 121.235 119.950 0.008 0.000 2.563 351 F HA 0.442 5.111 4.527 0.236 0.000 0.316 351 F C -0.058 175.742 175.800 0.000 0.000 1.076 351 F CA -0.938 57.065 58.000 0.006 0.000 0.921 351 F CB 1.731 40.741 39.000 0.017 0.000 1.209 351 F HN 0.497 nan 8.300 nan 0.000 0.462 352 D N 3.058 123.567 120.400 0.182 0.000 2.365 352 D HA 0.336 5.109 4.640 0.222 0.000 0.237 352 D C -0.514 175.852 176.300 0.110 0.000 1.190 352 D CA 0.268 54.326 54.000 0.096 0.000 0.867 352 D CB 0.374 41.205 40.800 0.051 0.000 1.050 352 D HN 0.520 nan 8.370 nan 0.000 0.491 353 L N 4.379 125.654 121.223 0.088 0.000 3.193 353 L HA 0.346 4.819 4.340 0.222 0.000 0.305 353 L C 1.845 178.749 176.870 0.057 0.000 1.299 353 L CA -0.488 54.399 54.840 0.078 0.000 0.904 353 L CB 0.319 42.434 42.059 0.094 0.000 1.331 353 L HN 0.269 nan 8.230 nan 0.000 0.588 354 R N 0.223 120.743 120.500 0.033 0.000 2.091 354 R HA -0.163 4.310 4.340 0.222 0.000 0.238 354 R C 1.728 178.062 176.300 0.057 0.000 1.136 354 R CA 1.398 57.504 56.100 0.009 0.000 0.959 354 R CB 0.104 30.383 30.300 -0.034 0.000 0.856 354 R HN 0.377 nan 8.270 nan 0.000 0.437 355 E N 0.684 120.944 120.200 0.101 0.000 2.038 355 E HA -0.107 4.376 4.350 0.222 0.000 0.195 355 E C 1.182 177.960 176.600 0.296 0.000 1.000 355 E CA 0.719 57.258 56.400 0.231 0.000 0.803 355 E CB -0.452 29.323 29.700 0.126 0.000 0.750 355 E HN 0.094 nan 8.360 nan 0.000 0.448 359 N N 0.476 119.367 118.700 0.318 0.000 2.235 359 N HA 0.343 5.216 4.740 0.222 0.000 0.209 359 N C 0.950 176.476 175.510 0.026 0.000 1.122 359 N CA 1.303 54.536 53.050 0.306 0.000 0.845 359 N CB 1.031 39.900 38.487 0.636 0.000 1.004 359 N HN 1.221 nan 8.380 nan 0.000 0.499 360 G N -0.666 108.108 108.800 -0.043 0.000 2.140 360 G HA2 -0.136 3.957 3.960 0.222 0.000 0.211 360 G HA3 -0.136 3.957 3.960 0.222 0.000 0.211 360 G C 0.189 174.966 174.900 -0.205 0.000 1.013 360 G CA -0.166 44.859 45.100 -0.124 0.000 0.705 360 G HN 0.528 nan 8.290 nan 0.000 0.508 361 G N -0.539 108.136 108.800 -0.208 0.000 2.626 361 G HA2 0.804 4.897 3.960 0.222 0.000 0.304 361 G HA3 0.804 4.897 3.960 0.222 0.000 0.304 361 G C 0.345 175.323 174.900 0.131 0.000 1.385 361 G CA 0.438 45.480 45.100 -0.097 0.000 0.957 361 G HN 1.036 nan 8.290 nan 0.000 0.504 362 G N 1.644 110.606 108.800 0.269 0.000 2.671 362 G HA2 0.613 4.706 3.960 0.222 0.000 0.275 362 G HA3 0.613 4.706 3.960 0.222 0.000 0.275 362 G C -1.343 173.696 174.900 0.233 0.000 1.368 362 G CA -1.264 43.998 45.100 0.269 0.000 1.044 362 G HN 0.327 nan 8.290 nan 0.000 0.543 363 P HA -0.125 nan 4.420 nan 0.000 0.216 363 P C 1.999 179.367 177.300 0.112 0.000 1.153 363 P CA 2.431 65.594 63.100 0.104 0.000 0.858 363 P CB 0.144 31.895 31.700 0.085 0.000 0.789 364 A N -1.393 121.511 122.820 0.141 0.000 1.929 364 A HA -0.171 4.282 4.320 0.222 0.000 0.216 364 A C 2.343 180.022 177.584 0.158 0.000 1.176 364 A CA 1.446 53.559 52.037 0.128 0.000 0.628 364 A CB -1.692 17.379 19.000 0.118 0.000 0.816 364 A HN 0.210 nan 8.150 nan 0.000 0.444 365 C N -0.609 118.816 119.300 0.208 0.000 2.422 365 C HA -0.043 4.550 4.460 0.222 0.000 0.279 365 C C 2.293 177.509 174.990 0.377 0.000 1.305 365 C CA 0.909 60.086 59.018 0.266 0.000 1.757 365 C CB -1.409 26.465 27.740 0.225 0.000 1.962 365 C HN 0.598 nan 8.230 nan 0.000 0.499 366 L N 0.607 122.029 121.223 0.331 0.000 2.599 366 L HA 0.058 4.531 4.340 0.222 0.000 0.230 366 L C 0.793 177.751 176.870 0.147 0.000 1.141 366 L CA 0.376 55.363 54.840 0.244 0.000 0.877 366 L CB -0.454 41.706 42.059 0.168 0.000 1.009 366 L HN 0.476 nan 8.230 nan 0.000 0.447 367 R N -0.029 120.558 120.500 0.144 0.000 2.744 367 R HA 0.670 5.143 4.340 0.222 0.000 0.279 367 R C -1.441 174.940 176.300 0.135 0.000 0.977 367 R CA -0.738 55.436 56.100 0.124 0.000 0.906 367 R CB 1.417 31.767 30.300 0.083 0.000 1.197 367 R HN -0.136 nan 8.270 nan 0.000 0.463 368 L N 1.728 123.050 121.223 0.165 0.000 2.343 368 L HA 0.559 5.032 4.340 0.222 0.000 0.278 368 L C -0.813 176.167 176.870 0.184 0.000 0.996 368 L CA -0.576 54.350 54.840 0.145 0.000 0.831 368 L CB 1.630 43.758 42.059 0.115 0.000 1.232 368 L HN 0.691 nan 8.230 nan 0.000 0.413 369 R N 4.095 124.672 120.500 0.128 0.000 2.267 369 R HA 0.569 5.042 4.340 0.222 0.000 0.319 369 R C -1.125 175.237 176.300 0.104 0.000 1.067 369 R CA -0.408 55.766 56.100 0.124 0.000 0.936 369 R CB 1.011 31.359 30.300 0.080 0.000 1.006 369 R HN 0.455 nan 8.270 nan 0.000 0.452 370 V N 4.636 124.648 119.914 0.164 0.000 2.357 370 V HA 0.145 4.398 4.120 0.222 0.000 0.281 370 V C -0.050 176.129 176.094 0.142 0.000 1.015 370 V CA -0.887 61.486 62.300 0.122 0.000 0.827 370 V CB 1.710 33.605 31.823 0.119 0.000 1.018 370 V HN 0.484 nan 8.190 nan 0.000 0.432 371 V N 7.130 127.088 119.914 0.073 0.000 2.479 371 V HA 0.322 4.575 4.120 0.222 0.000 0.281 371 V C 0.013 176.190 176.094 0.138 0.000 1.031 371 V CA 0.293 62.630 62.300 0.062 0.000 1.038 371 V CB 0.894 32.749 31.823 0.054 0.000 0.981 371 V HN 0.618 nan 8.190 nan 0.000 0.478 372 L N 4.814 126.136 121.223 0.164 0.000 2.401 372 L HA 0.549 5.022 4.340 0.222 0.000 0.266 372 L C 0.514 177.433 176.870 0.082 0.000 0.991 372 L CA -0.606 54.339 54.840 0.176 0.000 0.818 372 L CB 2.607 44.823 42.059 0.262 0.000 1.321 372 L HN 0.717 nan 8.230 nan 0.000 0.413 373 T N -2.943 111.638 114.554 0.044 0.000 2.754 373 T HA 0.079 4.562 4.350 0.222 0.000 0.286 373 T C 0.911 175.543 174.700 -0.114 0.000 0.997 373 T CA -0.303 61.770 62.100 -0.045 0.000 0.982 373 T CB 1.226 70.073 68.868 -0.033 0.000 1.027 373 T HN 0.786 nan 8.240 nan 0.000 0.529 374 E N -0.035 120.042 120.200 -0.206 0.000 2.085 374 E HA -0.206 4.277 4.350 0.222 0.000 0.194 374 E C 2.023 178.553 176.600 -0.117 0.000 0.994 374 E CA 1.289 57.544 56.400 -0.242 0.000 0.801 374 E CB -0.034 29.511 29.700 -0.259 0.000 0.743 374 E HN 0.795 nan 8.360 nan 0.000 0.453 375 E N -0.016 120.135 120.200 -0.082 0.000 2.106 375 E HA -0.179 4.304 4.350 0.222 0.000 0.192 375 E C 1.928 178.515 176.600 -0.022 0.000 0.984 375 E CA 0.963 57.331 56.400 -0.053 0.000 0.806 375 E CB 0.106 29.770 29.700 -0.061 0.000 0.750 375 E HN 0.353 nan 8.360 nan 0.000 0.458 376 E N 0.115 120.313 120.200 -0.003 0.000 2.106 376 E HA -0.144 4.339 4.350 0.222 0.000 0.192 376 E C 2.144 178.900 176.600 0.260 0.000 0.984 376 E CA 0.567 57.020 56.400 0.088 0.000 0.806 376 E CB 0.028 29.799 29.700 0.119 0.000 0.750 376 E HN 0.034 nan 8.360 nan 0.000 0.458 377 R N 0.605 121.194 120.500 0.147 0.000 2.096 377 R HA -0.096 4.377 4.340 0.222 0.000 0.235 377 R C 2.381 178.749 176.300 0.114 0.000 1.127 377 R CA 1.302 57.488 56.100 0.144 0.000 0.968 377 R CB -0.094 30.232 30.300 0.042 0.000 0.861 377 R HN 0.006 nan 8.270 nan 0.000 0.440 378 R N -0.023 120.516 120.500 0.065 0.000 2.148 378 R HA -0.040 4.433 4.340 0.222 0.000 0.227 378 R C 1.753 178.100 176.300 0.078 0.000 1.103 378 R CA 1.362 57.489 56.100 0.046 0.000 0.983 378 R CB -0.080 30.226 30.300 0.010 0.000 0.874 378 R HN 0.218 nan 8.270 nan 0.000 0.451 379 A N 0.655 123.556 122.820 0.136 0.000 2.119 379 A HA 0.121 4.574 4.320 0.222 0.000 0.216 379 A C 0.751 178.502 177.584 0.279 0.000 1.152 379 A CA 0.176 52.328 52.037 0.192 0.000 0.708 379 A CB 0.093 19.189 19.000 0.159 0.000 0.805 379 A HN 0.121 nan 8.150 nan 0.000 0.460 380 V N 1.841 121.896 119.914 0.235 0.000 2.715 380 V HA 0.001 4.254 4.120 0.222 0.000 0.299 380 V C 0.727 176.797 176.094 -0.041 0.000 1.054 380 V CA -0.710 61.600 62.300 0.016 0.000 1.077 380 V CB 0.516 32.322 31.823 -0.028 0.000 0.972 380 V HN 0.567 nan 8.190 nan 0.000 0.484 381 N N 5.991 124.611 118.700 -0.133 0.000 2.347 381 N HA -0.018 4.855 4.740 0.222 0.000 0.278 381 N C -1.563 173.902 175.510 -0.075 0.000 1.367 381 N CA -0.958 52.032 53.050 -0.100 0.000 0.898 381 N CB 1.159 39.558 38.487 -0.147 0.000 1.203 381 N HN 0.362 nan 8.380 nan 0.000 0.491 382 P HA -0.081 nan 4.420 nan 0.000 0.219 382 P C 0.664 177.939 177.300 -0.042 0.000 1.146 382 P CA 1.008 64.089 63.100 -0.032 0.000 0.808 382 P CB 0.145 31.835 31.700 -0.016 0.000 0.779 383 A N -0.758 122.032 122.820 -0.051 0.000 2.172 383 A HA 0.065 4.518 4.320 0.222 0.000 0.216 383 A C 1.189 178.735 177.584 -0.064 0.000 1.154 383 A CA 0.896 52.901 52.037 -0.054 0.000 0.701 383 A CB -1.148 17.818 19.000 -0.058 0.000 0.789 383 A HN 0.221 nan 8.150 nan 0.000 0.465 388 D N -0.235 120.203 120.400 0.063 0.000 2.133 388 D HA -0.135 4.638 4.640 0.222 0.000 0.195 388 D C 1.073 177.464 176.300 0.151 0.000 0.997 388 D CA 2.260 56.336 54.000 0.127 0.000 0.840 388 D CB -0.441 40.411 40.800 0.086 0.000 0.947 388 D HN 0.672 nan 8.370 nan 0.000 0.452 389 T N 1.372 115.980 114.554 0.089 0.000 2.708 389 T HA -0.141 4.342 4.350 0.222 0.000 0.266 389 T C 1.934 176.675 174.700 0.068 0.000 1.037 389 T CA 0.562 62.702 62.100 0.066 0.000 1.146 389 T CB -0.343 68.548 68.868 0.039 0.000 0.865 389 T HN 0.026 nan 8.240 nan 0.000 0.435 390 L N 0.712 121.978 121.223 0.071 0.000 2.056 390 L HA 0.079 4.552 4.340 0.222 0.000 0.207 390 L C 2.013 178.945 176.870 0.103 0.000 1.078 390 L CA 1.553 56.427 54.840 0.057 0.000 0.749 390 L CB -1.019 41.061 42.059 0.036 0.000 0.901 390 L HN 0.215 nan 8.230 nan 0.000 0.433 391 F N 0.794 120.738 119.950 -0.009 0.000 2.095 391 F HA -0.274 4.383 4.527 0.217 0.000 0.298 391 F C 2.320 178.129 175.800 0.014 0.000 1.104 391 F CA 2.062 60.062 58.000 -0.000 0.000 1.232 391 F CB -0.589 38.413 39.000 0.002 0.000 0.987 391 F HN 0.267 nan 8.300 nan 0.000 0.475 392 N N 0.619 119.302 118.700 -0.029 0.000 2.188 392 N HA -0.107 4.766 4.740 0.222 0.000 0.184 392 N C 2.019 177.473 175.510 -0.092 0.000 1.018 392 N CA 1.361 54.330 53.050 -0.134 0.000 0.858 392 N CB -0.801 37.684 38.487 -0.005 0.000 0.989 392 N HN 0.426 nan 8.380 nan 0.000 0.426 393 A N 1.368 124.173 122.820 -0.025 0.000 1.873 393 A HA -0.031 4.422 4.320 0.222 0.000 0.215 393 A C 2.389 179.992 177.584 0.033 0.000 1.186 393 A CA 0.870 52.912 52.037 0.009 0.000 0.616 393 A CB -0.707 18.298 19.000 0.008 0.000 0.823 393 A HN 0.182 nan 8.150 nan 0.000 0.442 394 L N -0.362 120.857 121.223 -0.006 0.000 2.056 394 L HA -0.180 4.293 4.340 0.222 0.000 0.207 394 L C 2.339 179.241 176.870 0.052 0.000 1.078 394 L CA 1.122 55.989 54.840 0.045 0.000 0.749 394 L CB -0.645 41.416 42.059 0.002 0.000 0.901 394 L HN 0.370 nan 8.230 nan 0.000 0.433 395 N N 0.077 118.687 118.700 -0.149 0.000 2.166 395 N HA -0.183 4.690 4.740 0.222 0.000 0.186 395 N C 1.427 176.888 175.510 -0.081 0.000 1.019 395 N CA 1.386 54.314 53.050 -0.203 0.000 0.856 395 N CB -0.263 37.972 38.487 -0.419 0.000 0.993 395 N HN 0.326 nan 8.380 nan 0.000 0.426 396 D N -0.442 119.942 120.400 -0.026 0.000 2.117 396 D HA -0.136 4.637 4.640 0.222 0.000 0.198 396 D C 1.741 178.105 176.300 0.107 0.000 0.982 396 D CA 0.446 54.457 54.000 0.019 0.000 0.828 396 D CB -0.449 40.368 40.800 0.029 0.000 0.967 396 D HN 0.354 nan 8.370 nan 0.000 0.464 397 W N 1.770 123.073 121.300 0.004 0.000 2.338 397 W HA -0.219 4.571 4.660 0.216 0.000 0.304 397 W C 2.053 178.673 176.519 0.168 0.000 1.212 397 W CA 1.246 58.670 57.345 0.131 0.000 1.264 397 W CB -0.412 29.132 29.460 0.141 0.000 1.142 397 W HN -0.239 nan 8.180 nan 0.000 0.512 398 V N 1.118 121.075 119.914 0.071 0.000 2.295 398 V HA -0.327 3.926 4.120 0.222 0.000 0.246 398 V C 2.068 178.072 176.094 -0.150 0.000 1.049 398 V CA 2.455 64.578 62.300 -0.295 0.000 1.024 398 V CB -1.008 30.576 31.823 -0.399 0.000 0.648 398 V HN 0.058 nan 8.190 nan 0.000 0.447 399 D N -0.347 119.990 120.400 -0.104 0.000 2.182 399 D HA -0.137 4.636 4.640 0.222 0.000 0.201 399 D C 2.408 178.639 176.300 -0.115 0.000 0.986 399 D CA 1.120 55.067 54.000 -0.088 0.000 0.847 399 D CB -0.190 40.563 40.800 -0.078 0.000 0.942 399 D HN 0.436 nan 8.370 nan 0.000 0.467 400 R N -0.872 119.523 120.500 -0.175 0.000 2.075 400 R HA -0.033 4.440 4.340 0.222 0.000 0.226 400 R C 1.771 177.788 176.300 -0.472 0.000 1.114 400 R CA 0.850 56.733 56.100 -0.362 0.000 0.972 400 R CB -0.131 29.851 30.300 -0.531 0.000 0.869 400 R HN 0.326 nan 8.270 nan 0.000 0.437 401 Y N -1.763 118.411 120.300 -0.210 0.000 2.507 401 Y HA 0.153 4.837 4.550 0.222 0.000 0.263 401 Y C 0.107 175.889 175.900 -0.196 0.000 1.093 401 Y CA -0.469 57.481 58.100 -0.251 0.000 1.285 401 Y CB 0.349 38.522 38.460 -0.478 0.000 1.115 401 Y HN -0.121 nan 8.280 nan 0.000 0.533 402 Y N 1.843 122.037 120.300 -0.177 0.000 2.319 402 Y HA 0.329 5.009 4.550 0.217 0.000 0.328 402 Y C 0.551 176.394 175.900 -0.094 0.000 1.133 402 Y CA -1.303 56.715 58.100 -0.136 0.000 1.265 402 Y CB 0.452 38.832 38.460 -0.134 0.000 1.218 402 Y HN -0.138 nan 8.280 nan 0.000 0.508 403 R N 1.659 122.173 120.500 0.023 0.000 2.500 403 R HA 0.139 4.612 4.340 0.222 0.000 0.275 403 R C -0.118 176.202 176.300 0.033 0.000 1.051 403 R CA -0.602 55.498 56.100 0.001 0.000 1.088 403 R CB 0.700 30.976 30.300 -0.040 0.000 1.063 403 R HN 0.648 nan 8.270 nan 0.000 0.511 404 D N 0.507 120.916 120.400 0.015 0.000 2.333 404 D HA 0.009 4.782 4.640 0.222 0.000 0.208 404 D C 0.195 176.503 176.300 0.013 0.000 0.984 404 D CA 0.879 54.890 54.000 0.019 0.000 0.873 404 D CB 0.381 41.185 40.800 0.007 0.000 0.935 404 D HN 0.261 nan 8.370 nan 0.000 0.521 405 R N 0.110 120.610 120.500 -0.001 0.000 2.604 405 R HA 0.560 5.033 4.340 0.222 0.000 0.281 405 R C -2.051 174.230 176.300 -0.031 0.000 1.020 405 R CA -0.687 55.407 56.100 -0.010 0.000 0.899 405 R CB 1.539 31.837 30.300 -0.004 0.000 1.205 405 R HN -0.063 nan 8.270 nan 0.000 0.450 406 L N 1.922 123.116 121.223 -0.048 0.000 2.556 406 L HA 0.575 5.048 4.340 0.222 0.000 0.257 406 L C -1.445 175.378 176.870 -0.078 0.000 0.955 406 L CA -0.025 54.772 54.840 -0.073 0.000 0.850 406 L CB 2.608 44.613 42.059 -0.091 0.000 1.398 406 L HN 0.897 nan 8.230 nan 0.000 0.412 407 T N 0.195 114.704 114.554 -0.075 0.000 2.883 407 T HA 0.692 5.175 4.350 0.222 0.000 0.296 407 T C 0.769 175.403 174.700 -0.110 0.000 1.117 407 T CA -0.185 61.883 62.100 -0.052 0.000 1.006 407 T CB 1.516 70.375 68.868 -0.015 0.000 1.191 407 T HN 0.802 nan 8.240 nan 0.000 0.508 408 A N 0.674 123.440 122.820 -0.089 0.000 1.978 408 A HA 0.189 4.642 4.320 0.222 0.000 0.220 408 A C 2.480 179.982 177.584 -0.135 0.000 1.170 408 A CA 2.048 53.983 52.037 -0.170 0.000 0.636 408 A CB -1.462 17.509 19.000 -0.048 0.000 0.810 408 A HN 1.381 nan 8.150 nan 0.000 0.448 409 A N -0.178 122.596 122.820 -0.078 0.000 2.019 409 A HA -0.146 4.306 4.320 0.222 0.000 0.219 409 A C 1.576 179.114 177.584 -0.077 0.000 1.164 409 A CA 1.586 53.586 52.037 -0.062 0.000 0.644 409 A CB -0.389 18.589 19.000 -0.036 0.000 0.805 409 A HN 0.509 nan 8.150 nan 0.000 0.449 410 D N -0.028 120.314 120.400 -0.095 0.000 2.347 410 D HA 0.004 4.776 4.640 0.222 0.000 0.215 410 D C 1.604 177.834 176.300 -0.116 0.000 0.976 410 D CA 0.438 54.381 54.000 -0.096 0.000 0.884 410 D CB -0.090 40.654 40.800 -0.094 0.000 0.915 410 D HN 0.485 nan 8.370 nan 0.000 0.526 411 L N 0.580 121.714 121.223 -0.149 0.000 2.362 411 L HA -0.046 4.427 4.340 0.222 0.000 0.219 411 L C 2.266 179.071 176.870 -0.109 0.000 1.134 411 L CA 0.480 55.228 54.840 -0.153 0.000 0.807 411 L CB -0.262 41.672 42.059 -0.209 0.000 0.927 411 L HN -0.046 nan 8.230 nan 0.000 0.447 412 A N -1.507 121.258 122.820 -0.092 0.000 2.178 412 A HA -0.054 4.399 4.320 0.222 0.000 0.211 412 A C 0.793 178.335 177.584 -0.070 0.000 1.157 412 A CA -0.036 51.955 52.037 -0.077 0.000 0.780 412 A CB -0.200 18.761 19.000 -0.065 0.000 0.828 412 A HN 0.222 nan 8.150 nan 0.000 0.476 413 D N 0.457 120.813 120.400 -0.073 0.000 2.382 413 D HA 0.167 4.940 4.640 0.222 0.000 0.259 413 D C -1.710 174.547 176.300 -0.070 0.000 1.224 413 D CA -1.803 52.157 54.000 -0.066 0.000 0.894 413 D CB 1.207 41.966 40.800 -0.067 0.000 1.127 413 D HN 0.036 nan 8.370 nan 0.000 0.487 414 P HA -0.128 nan 4.420 nan 0.000 0.219 414 P C 1.209 178.468 177.300 -0.069 0.000 1.146 414 P CA 0.934 63.996 63.100 -0.064 0.000 0.808 414 P CB 0.291 31.961 31.700 -0.051 0.000 0.779 415 Q N -0.693 119.069 119.800 -0.062 0.000 2.123 415 Q HA -0.102 4.370 4.340 0.222 0.000 0.199 415 Q C 2.008 177.963 176.000 -0.076 0.000 0.966 415 Q CA 0.747 56.513 55.803 -0.061 0.000 0.845 415 Q CB -0.539 28.169 28.738 -0.049 0.000 0.907 415 Q HN 0.232 nan 8.270 nan 0.000 0.439 416 L N 0.349 121.521 121.223 -0.086 0.000 2.046 416 L HA -0.181 4.292 4.340 0.222 0.000 0.208 416 L C 2.234 179.027 176.870 -0.128 0.000 1.077 416 L CA 0.912 55.688 54.840 -0.107 0.000 0.747 416 L CB -0.254 41.739 42.059 -0.111 0.000 0.896 416 L HN 0.318 nan 8.230 nan 0.000 0.432 417 L N 0.543 121.693 121.223 -0.121 0.000 1.989 417 L HA -0.236 4.237 4.340 0.222 0.000 0.211 417 L C 2.703 179.469 176.870 -0.174 0.000 1.071 417 L CA 1.872 56.626 54.840 -0.144 0.000 0.749 417 L CB -0.575 41.410 42.059 -0.123 0.000 0.890 417 L HN 0.187 nan 8.230 nan 0.000 0.431 418 R N -0.520 119.898 120.500 -0.137 0.000 2.096 418 R HA -0.160 4.313 4.340 0.222 0.000 0.235 418 R C 2.225 178.449 176.300 -0.128 0.000 1.127 418 R CA 1.657 57.679 56.100 -0.130 0.000 0.968 418 R CB -0.334 29.918 30.300 -0.079 0.000 0.861 418 R HN 0.489 nan 8.270 nan 0.000 0.440 419 E N -0.517 119.621 120.200 -0.104 0.000 2.077 419 E HA -0.127 4.356 4.350 0.222 0.000 0.193 419 E C 2.067 178.551 176.600 -0.192 0.000 0.989 419 E CA 1.286 57.644 56.400 -0.071 0.000 0.800 419 E CB -0.188 29.483 29.700 -0.048 0.000 0.746 419 E HN 0.491 nan 8.360 nan 0.000 0.452 420 G N 0.725 109.383 108.800 -0.237 0.000 2.422 420 G HA2 -0.248 3.845 3.960 0.222 0.000 0.218 420 G HA3 -0.248 3.845 3.960 0.222 0.000 0.218 420 G C 1.545 176.235 174.900 -0.351 0.000 1.146 420 G CA 0.314 45.236 45.100 -0.296 0.000 0.769 420 G HN 0.017 nan 8.290 nan 0.000 0.547 421 R N 0.425 120.671 120.500 -0.424 0.000 2.066 421 R HA -0.017 4.456 4.340 0.222 0.000 0.232 421 R C 2.330 178.432 176.300 -0.330 0.000 1.131 421 R CA 1.306 56.997 56.100 -0.681 0.000 0.955 421 R CB -0.915 28.957 30.300 -0.714 0.000 0.851 421 R HN 0.593 nan 8.270 nan 0.000 0.432 422 E N 0.517 120.592 120.200 -0.208 0.000 2.051 422 E HA -0.152 4.331 4.350 0.222 0.000 0.192 422 E C 1.891 178.363 176.600 -0.212 0.000 0.991 422 E CA 1.191 57.536 56.400 -0.092 0.000 0.799 422 E CB -0.012 29.690 29.700 0.004 0.000 0.748 422 E HN 0.273 nan 8.360 nan 0.000 0.449 423 A N 1.367 123.839 122.820 -0.579 0.000 1.873 423 A HA -0.203 4.250 4.320 0.222 0.000 0.218 423 A C 2.250 179.930 177.584 0.160 0.000 1.193 423 A CA 1.496 53.107 52.037 -0.709 0.000 0.629 423 A CB -0.836 17.629 19.000 -0.892 0.000 0.826 423 A HN 0.347 nan 8.150 nan 0.000 0.447 424 L N -0.914 120.370 121.223 0.103 0.000 2.141 424 L HA -0.181 4.292 4.340 0.222 0.000 0.209 424 L C 2.356 179.406 176.870 0.299 0.000 1.094 424 L CA 1.754 56.709 54.840 0.193 0.000 0.763 424 L CB -0.625 41.405 42.059 -0.048 0.000 0.908 424 L HN 0.476 nan 8.230 nan 0.000 0.437 425 D N -0.212 120.388 120.400 0.332 0.000 2.117 425 D HA -0.146 4.626 4.640 0.222 0.000 0.198 425 D C 2.133 178.539 176.300 0.177 0.000 0.982 425 D CA 0.911 55.089 54.000 0.297 0.000 0.828 425 D CB 0.239 41.222 40.800 0.305 0.000 0.967 425 D HN -0.011 nan 8.370 nan 0.000 0.464 426 V N 0.409 120.428 119.914 0.174 0.000 2.358 426 V HA -0.160 4.093 4.120 0.222 0.000 0.246 426 V C 2.445 178.566 176.094 0.045 0.000 1.047 426 V CA 1.202 63.602 62.300 0.166 0.000 1.035 426 V CB -0.478 31.532 31.823 0.313 0.000 0.658 426 V HN 0.269 nan 8.190 nan 0.000 0.452 427 L N 1.143 122.340 121.223 -0.043 0.000 2.083 427 L HA -0.141 4.332 4.340 0.222 0.000 0.209 427 L C 2.707 179.491 176.870 -0.144 0.000 1.083 427 L CA 2.361 56.983 54.840 -0.364 0.000 0.752 427 L CB -0.666 41.002 42.059 -0.652 0.000 0.899 427 L HN 0.512 nan 8.230 nan 0.000 0.433 428 S N -1.746 113.965 115.700 0.019 0.000 2.419 428 S HA -0.240 4.363 4.470 0.222 0.000 0.233 428 S C 1.861 176.441 174.600 -0.032 0.000 1.016 428 S CA 1.261 59.469 58.200 0.013 0.000 0.974 428 S CB -0.459 62.785 63.200 0.073 0.000 0.786 428 S HN 0.662 nan 8.310 nan 0.000 0.492 429 Q N 0.502 120.293 119.800 -0.015 0.000 2.062 429 Q HA 0.233 4.706 4.340 0.222 0.000 0.196 429 Q C 2.289 178.266 176.000 -0.038 0.000 0.967 429 Q CA 1.141 56.935 55.803 -0.015 0.000 0.832 429 Q CB -0.312 28.436 28.738 0.017 0.000 0.899 429 Q HN 0.552 nan 8.270 nan 0.000 0.442 430 L N 0.530 121.715 121.223 -0.064 0.000 2.042 430 L HA -0.158 4.315 4.340 0.222 0.000 0.210 430 L C 1.520 178.334 176.870 -0.092 0.000 1.076 430 L CA 1.229 56.019 54.840 -0.084 0.000 0.749 430 L CB 0.037 42.007 42.059 -0.149 0.000 0.893 430 L HN 0.278 nan 8.230 nan 0.000 0.432 431 L N -0.373 120.782 121.223 -0.113 0.000 2.611 431 L HA 0.055 4.528 4.340 0.222 0.000 0.229 431 L C 0.524 177.342 176.870 -0.087 0.000 1.137 431 L CA -0.041 54.737 54.840 -0.103 0.000 0.901 431 L CB -0.590 41.397 42.059 -0.120 0.000 1.098 431 L HN 0.439 nan 8.230 nan 0.000 0.456 432 N N 0.691 119.347 118.700 -0.073 0.000 2.714 432 N HA -0.221 4.652 4.740 0.222 0.000 0.253 432 N C 0.293 175.754 175.510 -0.081 0.000 1.024 432 N CA 0.418 53.429 53.050 -0.065 0.000 0.726 432 N CB -0.914 37.540 38.487 -0.055 0.000 0.908 432 N HN 0.359 nan 8.380 nan 0.000 0.542 433 L N -0.833 120.333 121.223 -0.096 0.000 2.638 433 L HA 0.383 4.856 4.340 0.222 0.000 0.232 433 L C 1.725 178.516 176.870 -0.132 0.000 1.099 433 L CA 0.234 54.996 54.840 -0.129 0.000 0.883 433 L CB -0.284 41.672 42.059 -0.172 0.000 1.136 433 L HN 0.545 nan 8.230 nan 0.000 0.492 434 G N 0.405 109.145 108.800 -0.100 0.000 2.645 434 G HA2 -0.271 3.822 3.960 0.222 0.000 0.239 434 G HA3 -0.271 3.822 3.960 0.222 0.000 0.239 434 G C -0.074 174.752 174.900 -0.123 0.000 1.331 434 G CA -0.229 44.815 45.100 -0.093 0.000 0.890 434 G HN 0.111 nan 8.290 nan 0.000 0.572 435 S N 0.132 115.759 115.700 -0.122 0.000 3.900 435 S HA 0.303 4.906 4.470 0.222 0.000 0.248 435 S C 1.279 175.757 174.600 -0.205 0.000 1.310 435 S CA 0.388 58.493 58.200 -0.158 0.000 0.915 435 S CB 0.949 64.073 63.200 -0.128 0.000 1.588 435 S HN 1.275 nan 8.310 nan 0.000 0.472 436 V N 3.059 122.790 119.914 -0.306 0.000 3.052 436 V HA 0.168 4.420 4.120 0.222 0.000 0.254 436 V C -0.292 175.525 176.094 -0.462 0.000 1.100 436 V CA 0.802 62.852 62.300 -0.417 0.000 1.112 436 V CB -0.112 31.371 31.823 -0.566 0.000 0.738 436 V HN 0.686 nan 8.190 nan 0.000 0.469 437 Y N 0.068 120.236 120.300 -0.220 0.000 2.352 437 Y HA 0.377 5.056 4.550 0.216 0.000 0.326 437 Y C -1.172 174.610 175.900 -0.196 0.000 1.166 437 Y CA -2.163 55.825 58.100 -0.188 0.000 1.182 437 Y CB 0.558 38.902 38.460 -0.192 0.000 1.216 437 Y HN -0.029 nan 8.280 nan 0.000 0.474 438 P HA -0.255 nan 4.420 nan 0.000 0.216 438 P C 1.409 178.753 177.300 0.074 0.000 1.153 438 P CA 1.793 64.966 63.100 0.122 0.000 0.858 438 P CB -0.101 31.733 31.700 0.225 0.000 0.789 439 F N -0.037 119.966 119.950 0.088 0.000 2.333 439 F HA -0.108 4.550 4.527 0.218 0.000 0.300 439 F C 1.588 177.415 175.800 0.046 0.000 1.083 439 F CA 1.075 59.095 58.000 0.033 0.000 1.395 439 F CB -1.610 37.395 39.000 0.009 0.000 1.056 439 F HN -0.049 nan 8.300 nan 0.000 0.529 440 Q N 0.479 119.903 119.800 -0.627 0.000 2.425 440 Q HA 0.154 4.627 4.340 0.222 0.000 0.204 440 Q C 0.460 176.357 176.000 -0.172 0.000 0.933 440 Q CA 0.150 55.681 55.803 -0.453 0.000 0.939 440 Q CB 0.172 28.570 28.738 -0.567 0.000 1.044 440 Q HN 0.476 nan 8.270 nan 0.000 0.513 441 R N 0.000 120.435 120.500 -0.108 0.000 2.786 441 R HA 0.000 4.473 4.340 0.222 0.000 0.208 441 R CA 0.000 56.067 56.100 -0.055 0.000 0.921 441 R CB 0.000 30.273 30.300 -0.045 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535