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 2r5k_1_D DATA FIRST_RESID 19 DATA SEQUENCE AVVATDAYVK RTNIFYHASS SRLLAVGHPY YSIKKVNKTV VPKVSGYQYR DATA SEQUENCE VFKVVLPDPN KFALPDSSLF DPTTQRLVWA CTGLEVGRGQ PLGVGVSGHP DATA SEQUENCE LLNKYDDVEN SGGYGGNPGQ DNRVNVGMDY KQTQLCMVGC APPLGEHWGK DATA SEQUENCE GTQSSNTSVQ NGDCPPLELI TSVIQDGDMV DTGFGAMNFA DLQTNKSDVP DATA SEQUENCE LDICGTVCKY PDYLQMAADP YGDRLFFYLR KEQMFARHFF NRAGTVGEPV DATA SEQUENCE PDDLLVKGGN NRSSVASSIY VHTPSGSLVS SEAQLFNKPY WLQKAQGHNN DATA SEQUENCE GICWGNHLSV TVVDTTRSTN MTLCASVSKS ATYTNSDYKE YMRHVEEFDL DATA SEQUENCE QFIFQLCSIT LSAEVMAYIH TMNPSVLEDW NXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXKQDPYK DMSFWEVNLK EKFSSELDQF PLGRKFLLQS DATA SEQUENCE GY 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.612 177.584 0.047 0.000 1.274 19 A CA 0.000 52.049 52.037 0.020 0.000 0.836 19 A CB 0.000 19.010 19.000 0.017 0.000 0.831 20 V N 2.420 122.317 119.914 -0.029 0.000 2.583 20 V HA 0.497 4.619 4.120 0.003 0.000 0.287 20 V C 0.802 176.778 176.094 -0.197 0.000 1.051 20 V CA 0.129 62.414 62.300 -0.025 0.000 1.010 20 V CB 1.159 32.842 31.823 -0.233 0.000 0.988 20 V HN 1.482 nan 8.190 nan 0.000 0.478 21 V N 2.421 122.294 119.914 -0.069 0.000 2.732 21 V HA 0.946 5.068 4.120 0.003 0.000 0.310 21 V C 0.344 176.437 176.094 -0.002 0.000 1.053 21 V CA -0.905 61.289 62.300 -0.178 0.000 0.957 21 V CB 1.584 33.271 31.823 -0.228 0.000 1.018 21 V HN 1.057 nan 8.190 nan 0.000 0.452 22 A N 2.764 125.664 122.820 0.134 0.000 2.488 22 A HA 0.433 4.754 4.320 0.003 0.000 0.249 22 A C 1.561 179.309 177.584 0.273 0.000 1.083 22 A CA 0.412 52.661 52.037 0.353 0.000 0.768 22 A CB 0.145 19.342 19.000 0.328 0.000 1.017 22 A HN 1.738 nan 8.150 nan 0.000 0.496 23 T N -0.008 114.687 114.554 0.236 0.000 2.778 23 T HA -0.202 4.150 4.350 0.003 0.000 0.269 23 T C 0.809 175.361 174.700 -0.247 0.000 1.050 23 T CA 1.922 63.923 62.100 -0.165 0.000 1.137 23 T CB -0.505 68.329 68.868 -0.056 0.000 0.860 23 T HN 0.612 nan 8.240 nan 0.000 0.468 24 D N 1.746 122.124 120.400 -0.036 0.000 2.389 24 D HA 0.091 4.733 4.640 0.003 0.000 0.221 24 D C 1.976 178.272 176.300 -0.005 0.000 0.974 24 D CA 1.005 54.990 54.000 -0.025 0.000 0.923 24 D CB -0.365 40.453 40.800 0.030 0.000 0.892 24 D HN 0.703 nan 8.370 nan 0.000 0.518 25 A N -0.342 122.498 122.820 0.032 0.000 2.115 25 A HA 0.015 4.336 4.320 0.003 0.000 0.211 25 A C 1.191 178.876 177.584 0.168 0.000 1.169 25 A CA 0.146 52.246 52.037 0.106 0.000 0.787 25 A CB -0.208 18.879 19.000 0.144 0.000 0.858 25 A HN 0.403 nan 8.150 nan 0.000 0.474 26 Y N -3.485 116.844 120.300 0.048 0.000 2.717 26 Y HA 0.643 5.194 4.550 0.003 0.000 0.250 26 Y C -0.452 175.516 175.900 0.114 0.000 1.149 26 Y CA -0.699 57.443 58.100 0.070 0.000 1.211 26 Y CB 0.091 38.589 38.460 0.063 0.000 1.289 26 Y HN -0.132 nan 8.280 nan 0.000 0.552 27 V N 3.651 123.468 119.914 -0.162 0.000 2.325 27 V HA 0.317 4.438 4.120 0.003 0.000 0.280 27 V C -0.627 175.418 176.094 -0.082 0.000 1.016 27 V CA -1.085 61.139 62.300 -0.126 0.000 0.818 27 V CB 1.130 32.801 31.823 -0.253 0.000 1.019 27 V HN 0.081 nan 8.190 nan 0.000 0.434 28 K N 4.849 125.222 120.400 -0.045 0.000 2.298 28 K HA 0.473 4.795 4.320 0.003 0.000 0.280 28 K C 0.108 176.660 176.600 -0.079 0.000 1.032 28 K CA -0.271 55.988 56.287 -0.047 0.000 0.958 28 K CB 1.003 33.486 32.500 -0.030 0.000 0.978 28 K HN 0.481 nan 8.250 nan 0.000 0.472 29 R N 0.707 121.165 120.500 -0.069 0.000 2.674 29 R HA 0.426 4.767 4.340 0.003 0.000 0.266 29 R C 0.682 176.925 176.300 -0.095 0.000 1.016 29 R CA -0.449 55.599 56.100 -0.087 0.000 1.062 29 R CB 1.312 31.580 30.300 -0.054 0.000 1.142 29 R HN 0.894 nan 8.270 nan 0.000 0.517 30 T N -3.245 111.225 114.554 -0.140 0.000 2.645 30 T HA 0.282 4.634 4.350 0.003 0.000 0.273 30 T C 0.362 174.962 174.700 -0.168 0.000 0.960 30 T CA -0.813 61.207 62.100 -0.134 0.000 1.051 30 T CB 1.121 69.899 68.868 -0.151 0.000 1.366 30 T HN 0.574 nan 8.240 nan 0.000 0.536 31 N N -0.376 118.254 118.700 -0.117 0.000 2.205 31 N HA 0.245 4.987 4.740 0.003 0.000 0.201 31 N C -0.270 175.184 175.510 -0.093 0.000 1.128 31 N CA -0.263 52.767 53.050 -0.034 0.000 0.867 31 N CB 0.204 38.731 38.487 0.067 0.000 0.996 31 N HN 0.465 nan 8.380 nan 0.000 0.503 32 I N 1.881 122.331 120.570 -0.200 0.000 2.421 32 I HA 0.148 4.319 4.170 0.003 0.000 0.291 32 I C -0.344 175.665 176.117 -0.180 0.000 1.089 32 I CA 0.267 61.519 61.300 -0.080 0.000 1.354 32 I CB -1.320 36.717 38.000 0.062 0.000 1.413 32 I HN -0.087 nan 8.210 nan 0.000 0.513 33 F N 6.187 126.207 119.950 0.117 0.000 2.522 33 F HA 0.577 5.105 4.527 0.003 0.000 0.324 33 F C -0.185 175.621 175.800 0.009 0.000 1.077 33 F CA -0.589 57.485 58.000 0.124 0.000 0.944 33 F CB 1.801 40.838 39.000 0.062 0.000 1.175 33 F HN 0.222 nan 8.300 nan 0.000 0.468 34 Y N 0.441 120.843 120.300 0.170 0.000 2.576 34 Y HA 0.383 4.934 4.550 0.002 0.000 0.346 34 Y C -0.436 175.330 175.900 -0.224 0.000 1.018 34 Y CA -0.971 57.124 58.100 -0.009 0.000 1.050 34 Y CB 1.733 40.128 38.460 -0.109 0.000 1.280 34 Y HN 0.498 nan 8.280 nan 0.000 0.474 35 H N 1.140 120.078 119.070 -0.220 0.000 2.529 35 H HA 0.889 5.447 4.556 0.002 0.000 0.348 35 H C -1.752 173.227 175.328 -0.582 0.000 1.152 35 H CA -0.666 55.122 56.048 -0.434 0.000 1.202 35 H CB 1.775 31.200 29.762 -0.562 0.000 1.562 35 H HN 0.832 nan 8.280 nan 0.000 0.515 36 A N 2.668 124.789 122.820 -1.166 0.000 2.547 36 A HA 0.529 4.850 4.320 0.003 0.000 0.297 36 A C -1.258 176.031 177.584 -0.493 0.000 1.056 36 A CA -0.170 51.489 52.037 -0.631 0.000 0.688 36 A CB 1.255 19.936 19.000 -0.532 0.000 1.282 36 A HN 0.853 nan 8.150 nan 0.000 0.400 37 S N 0.007 115.637 115.700 -0.117 0.000 2.536 37 S HA 0.572 5.044 4.470 0.003 0.000 0.271 37 S C 0.481 175.121 174.600 0.067 0.000 1.134 37 S CA 0.162 58.370 58.200 0.014 0.000 0.897 37 S CB 1.448 64.715 63.200 0.112 0.000 1.094 37 S HN 1.807 nan 8.310 nan 0.000 0.473 38 S N 1.496 117.226 115.700 0.049 0.000 2.527 38 S HA 0.260 4.731 4.470 0.003 0.000 0.222 38 S C 1.013 175.633 174.600 0.033 0.000 0.985 38 S CA 0.550 58.768 58.200 0.031 0.000 0.921 38 S CB -1.266 61.907 63.200 -0.044 0.000 0.772 38 S HN 2.508 nan 8.310 nan 0.000 0.529 39 S N 1.000 116.720 115.700 0.032 0.000 3.633 39 S HA -0.302 4.169 4.470 0.003 0.000 0.637 39 S C -0.107 174.506 174.600 0.021 0.000 2.289 39 S CA 0.103 58.329 58.200 0.043 0.000 2.476 39 S CB -1.386 61.857 63.200 0.072 0.000 0.330 39 S HN 0.997 nan 8.310 nan 0.000 1.787 40 R N 0.660 121.182 120.500 0.038 0.000 2.538 40 R HA 0.445 4.786 4.340 0.003 0.000 0.282 40 R C -0.563 175.788 176.300 0.085 0.000 1.009 40 R CA 0.549 56.675 56.100 0.045 0.000 1.063 40 R CB -0.277 30.051 30.300 0.046 0.000 0.945 40 R HN 0.501 nan 8.270 nan 0.000 0.414 41 L N 6.052 127.338 121.223 0.105 0.000 2.381 41 L HA 0.436 4.778 4.340 0.003 0.000 0.274 41 L C -1.247 175.807 176.870 0.308 0.000 0.988 41 L CA -1.142 53.829 54.840 0.218 0.000 0.824 41 L CB 1.668 43.751 42.059 0.041 0.000 1.263 41 L HN 0.490 nan 8.230 nan 0.000 0.410 42 L N 2.824 124.272 121.223 0.374 0.000 2.362 42 L HA 0.842 5.184 4.340 0.003 0.000 0.271 42 L C -0.152 176.941 176.870 0.371 0.000 1.002 42 L CA -0.331 54.692 54.840 0.304 0.000 0.818 42 L CB 2.027 44.179 42.059 0.155 0.000 1.298 42 L HN 0.677 nan 8.230 nan 0.000 0.420 43 A N 2.803 125.802 122.820 0.298 0.000 2.359 43 A HA 0.871 5.192 4.320 0.003 0.000 0.303 43 A C -1.509 176.118 177.584 0.070 0.000 1.066 43 A CA -0.519 51.634 52.037 0.193 0.000 0.730 43 A CB 1.572 20.762 19.000 0.317 0.000 1.211 43 A HN 0.380 nan 8.150 nan 0.000 0.439 44 V N 2.303 122.233 119.914 0.026 0.000 2.532 44 V HA 0.795 4.917 4.120 0.003 0.000 0.294 44 V C 0.493 176.591 176.094 0.007 0.000 1.036 44 V CA 0.439 62.739 62.300 -0.000 0.000 0.876 44 V CB 1.211 33.031 31.823 -0.004 0.000 1.012 44 V HN 1.519 nan 8.190 nan 0.000 0.432 45 G N 2.411 111.222 108.800 0.017 0.000 2.772 45 G HA2 0.386 4.347 3.960 0.003 0.000 0.284 45 G HA3 0.386 4.347 3.960 0.003 0.000 0.284 45 G C -1.528 173.400 174.900 0.046 0.000 1.217 45 G CA -0.485 44.641 45.100 0.043 0.000 0.831 45 G HN 0.596 nan 8.290 nan 0.000 0.523 46 H N 2.015 121.064 119.070 -0.034 0.000 2.489 46 H HA 0.370 4.928 4.556 0.002 0.000 0.322 46 H C -1.451 173.782 175.328 -0.159 0.000 1.091 46 H CA -1.712 54.262 56.048 -0.123 0.000 1.291 46 H CB 2.651 32.335 29.762 -0.129 0.000 1.436 46 H HN 0.136 nan 8.280 nan 0.000 0.480 47 P HA -0.149 nan 4.420 nan 0.000 0.218 47 P C 0.621 177.885 177.300 -0.059 0.000 1.149 47 P CA 1.448 64.347 63.100 -0.335 0.000 0.817 47 P CB 0.192 31.461 31.700 -0.717 0.000 0.785 48 Y N -1.183 119.141 120.300 0.039 0.000 2.464 48 Y HA 0.118 4.670 4.550 0.003 0.000 0.288 48 Y C 1.075 177.007 175.900 0.054 0.000 1.133 48 Y CA -0.615 57.481 58.100 -0.007 0.000 1.223 48 Y CB 0.070 38.436 38.460 -0.156 0.000 1.187 48 Y HN -0.056 nan 8.280 nan 0.000 0.539 49 Y N -1.707 118.788 120.300 0.324 0.000 2.638 49 Y HA 0.558 5.109 4.550 0.002 0.000 0.335 49 Y C -0.500 175.384 175.900 -0.026 0.000 1.155 49 Y CA -2.742 55.402 58.100 0.073 0.000 1.046 49 Y CB 0.308 38.759 38.460 -0.015 0.000 1.303 49 Y HN -0.128 nan 8.280 nan 0.000 0.460 50 S N 0.807 116.645 115.700 0.230 0.000 2.592 50 S HA 0.613 5.085 4.470 0.003 0.000 0.271 50 S C -0.706 173.968 174.600 0.123 0.000 1.326 50 S CA -0.413 57.867 58.200 0.134 0.000 1.024 50 S CB 0.759 64.008 63.200 0.080 0.000 0.921 50 S HN 0.484 nan 8.310 nan 0.000 0.527 51 I N 2.518 123.137 120.570 0.081 0.000 2.388 51 I HA 0.282 4.454 4.170 0.003 0.000 0.281 51 I C 0.170 176.307 176.117 0.033 0.000 1.046 51 I CA -0.400 60.936 61.300 0.061 0.000 1.187 51 I CB 0.816 38.864 38.000 0.080 0.000 1.351 51 I HN 0.704 nan 8.210 nan 0.000 0.472 52 K N 5.379 125.787 120.400 0.013 0.000 2.159 52 K HA 0.447 4.769 4.320 0.003 0.000 0.266 52 K C -0.012 176.588 176.600 0.001 0.000 0.975 52 K CA -0.863 55.427 56.287 0.004 0.000 0.865 52 K CB 1.211 33.708 32.500 -0.005 0.000 1.087 52 K HN 0.430 nan 8.250 nan 0.000 0.446 53 K N 1.851 122.254 120.400 0.004 0.000 3.245 53 K HA 0.064 4.386 4.320 0.003 0.000 0.285 53 K C -0.201 176.397 176.600 -0.003 0.000 1.156 53 K CA -0.334 55.955 56.287 0.004 0.000 1.162 53 K CB -0.605 31.899 32.500 0.007 0.000 1.365 53 K HN 0.483 nan 8.250 nan 0.000 0.316 54 V N -0.589 119.318 119.914 -0.010 0.000 3.774 54 V HA -0.399 3.723 4.120 0.003 0.000 0.216 54 V C -0.056 176.031 176.094 -0.012 0.000 0.441 54 V CA 1.954 64.245 62.300 -0.015 0.000 0.985 54 V CB -2.575 29.240 31.823 -0.013 0.000 1.085 54 V HN 0.867 nan 8.190 nan 0.000 1.240 55 N N -1.457 117.237 118.700 -0.010 0.000 3.085 55 N HA 0.274 5.016 4.740 0.003 0.000 0.270 55 N C -0.079 175.425 175.510 -0.009 0.000 1.319 55 N CA -0.172 52.873 53.050 -0.009 0.000 1.379 55 N CB 0.291 38.775 38.487 -0.006 0.000 0.903 55 N HN 0.244 nan 8.380 nan 0.000 1.080 56 K N 1.050 121.446 120.400 -0.007 0.000 2.123 56 K HA 0.468 4.790 4.320 0.003 0.000 0.248 56 K C -0.745 175.852 176.600 -0.006 0.000 0.969 56 K CA -0.266 56.016 56.287 -0.008 0.000 0.882 56 K CB 1.189 33.684 32.500 -0.008 0.000 1.080 56 K HN 0.147 nan 8.250 nan 0.000 0.441 57 T N 1.421 115.971 114.554 -0.007 0.000 2.779 57 T HA 0.160 4.511 4.350 0.003 0.000 0.296 57 T C 1.357 176.054 174.700 -0.004 0.000 0.938 57 T CA -0.364 61.734 62.100 -0.003 0.000 1.119 57 T CB 0.478 69.343 68.868 -0.006 0.000 0.891 57 T HN 0.246 nan 8.240 nan 0.000 0.526 58 V N 3.382 123.298 119.914 0.003 0.000 2.784 58 V HA 0.143 4.264 4.120 0.003 0.000 0.231 58 V C 0.870 176.967 176.094 0.005 0.000 1.128 58 V CA 0.068 62.369 62.300 0.001 0.000 1.178 58 V CB -0.021 31.804 31.823 0.004 0.000 0.943 58 V HN 0.578 nan 8.190 nan 0.000 0.500 59 V N 4.668 124.595 119.914 0.020 0.000 2.389 59 V HA 0.283 4.404 4.120 0.003 0.000 0.264 59 V C -2.012 174.109 176.094 0.045 0.000 1.049 59 V CA -1.372 60.948 62.300 0.034 0.000 0.932 59 V CB 0.650 32.508 31.823 0.059 0.000 1.011 59 V HN 0.401 nan 8.190 nan 0.000 0.475 60 P HA 0.191 nan 4.420 nan 0.000 0.276 60 P C -0.756 176.585 177.300 0.068 0.000 1.252 60 P CA -0.782 62.337 63.100 0.031 0.000 0.802 60 P CB 1.193 32.887 31.700 -0.010 0.000 1.035 61 K N 1.036 121.483 120.400 0.079 0.000 2.312 61 K HA 0.333 4.654 4.320 0.003 0.000 0.287 61 K C -1.154 175.510 176.600 0.107 0.000 1.062 61 K CA -0.432 55.924 56.287 0.116 0.000 0.934 61 K CB 0.090 32.669 32.500 0.132 0.000 1.027 61 K HN 0.190 nan 8.250 nan 0.000 0.478 62 V N 3.636 123.624 119.914 0.122 0.000 2.385 62 V HA 0.169 4.291 4.120 0.003 0.000 0.277 62 V C -0.413 175.823 176.094 0.236 0.000 1.012 62 V CA -0.792 61.599 62.300 0.150 0.000 0.832 62 V CB 0.984 32.870 31.823 0.106 0.000 1.028 62 V HN 0.785 nan 8.190 nan 0.000 0.436 63 S N 3.048 118.898 115.700 0.250 0.000 2.638 63 S HA 0.659 5.130 4.470 0.003 0.000 0.298 63 S C 1.373 176.146 174.600 0.289 0.000 1.111 63 S CA 0.275 58.635 58.200 0.265 0.000 1.027 63 S CB 1.885 65.245 63.200 0.267 0.000 1.064 63 S HN 0.843 nan 8.310 nan 0.000 0.525 64 G N 1.113 109.991 108.800 0.131 0.000 2.448 64 G HA2 -0.040 3.921 3.960 0.003 0.000 0.218 64 G HA3 -0.040 3.921 3.960 0.003 0.000 0.218 64 G C 0.304 175.099 174.900 -0.175 0.000 1.135 64 G CA 0.503 45.613 45.100 0.018 0.000 0.784 64 G HN 0.770 nan 8.290 nan 0.000 0.543 65 Y N 0.691 121.083 120.300 0.153 0.000 2.596 65 Y HA 0.359 4.911 4.550 0.003 0.000 0.316 65 Y C 1.272 177.233 175.900 0.102 0.000 1.156 65 Y CA -0.339 57.843 58.100 0.135 0.000 1.300 65 Y CB -0.089 38.496 38.460 0.209 0.000 1.130 65 Y HN 0.138 nan 8.280 nan 0.000 0.518 66 Q N -0.601 119.306 119.800 0.178 0.000 2.215 66 Q HA 0.325 4.666 4.340 0.003 0.000 0.256 66 Q C -1.178 174.893 176.000 0.117 0.000 0.972 66 Q CA -0.859 55.054 55.803 0.183 0.000 0.889 66 Q CB 1.214 30.073 28.738 0.203 0.000 1.281 66 Q HN 0.322 nan 8.270 nan 0.000 0.456 67 Y N 0.690 121.051 120.300 0.102 0.000 2.301 67 Y HA 0.315 4.867 4.550 0.003 0.000 0.325 67 Y C 0.018 175.924 175.900 0.011 0.000 1.203 67 Y CA -0.190 57.949 58.100 0.065 0.000 1.255 67 Y CB 0.981 39.462 38.460 0.035 0.000 1.232 67 Y HN 0.274 nan 8.280 nan 0.000 0.501 68 R N 2.618 123.192 120.500 0.124 0.000 2.412 68 R HA 0.364 4.706 4.340 0.003 0.000 0.304 68 R C -1.771 174.328 176.300 -0.335 0.000 1.066 68 R CA -0.682 55.295 56.100 -0.205 0.000 0.923 68 R CB 0.952 31.047 30.300 -0.341 0.000 1.156 68 R HN 0.408 nan 8.270 nan 0.000 0.513 69 V N 5.309 125.067 119.914 -0.261 0.000 2.294 69 V HA 0.381 4.503 4.120 0.003 0.000 0.272 69 V C -0.096 175.893 176.094 -0.175 0.000 1.027 69 V CA -0.638 61.598 62.300 -0.107 0.000 0.823 69 V CB 0.230 32.133 31.823 0.133 0.000 1.030 69 V HN 0.393 nan 8.190 nan 0.000 0.457 70 F N 3.216 123.182 119.950 0.026 0.000 2.410 70 F HA 0.397 4.925 4.527 0.002 0.000 0.348 70 F C 0.748 176.519 175.800 -0.048 0.000 1.106 70 F CA -0.378 57.616 58.000 -0.011 0.000 1.163 70 F CB 0.980 39.890 39.000 -0.151 0.000 1.129 70 F HN 0.288 nan 8.300 nan 0.000 0.516 71 K N 4.229 124.697 120.400 0.113 0.000 2.300 71 K HA 0.394 4.716 4.320 0.003 0.000 0.264 71 K C -1.278 175.308 176.600 -0.024 0.000 1.083 71 K CA -0.322 55.904 56.287 -0.101 0.000 0.958 71 K CB 0.606 32.989 32.500 -0.195 0.000 1.318 71 K HN 0.505 nan 8.250 nan 0.000 0.448 72 V N 5.110 124.999 119.914 -0.041 0.000 2.389 72 V HA 0.105 4.227 4.120 0.003 0.000 0.264 72 V C 0.086 176.118 176.094 -0.103 0.000 1.049 72 V CA -0.677 61.575 62.300 -0.080 0.000 0.932 72 V CB 1.148 32.854 31.823 -0.195 0.000 1.011 72 V HN 0.399 nan 8.190 nan 0.000 0.475 73 V N 7.464 127.335 119.914 -0.071 0.000 2.432 73 V HA 0.414 4.536 4.120 0.003 0.000 0.275 73 V C 0.164 176.169 176.094 -0.148 0.000 1.043 73 V CA -0.299 61.976 62.300 -0.042 0.000 0.925 73 V CB 1.318 33.145 31.823 0.007 0.000 0.985 73 V HN 0.621 nan 8.190 nan 0.000 0.466 74 L N 6.927 128.022 121.223 -0.214 0.000 2.332 74 L HA 0.605 4.946 4.340 0.003 0.000 0.269 74 L C -2.247 174.376 176.870 -0.411 0.000 1.016 74 L CA -2.004 52.556 54.840 -0.466 0.000 0.809 74 L CB 2.087 43.766 42.059 -0.634 0.000 1.280 74 L HN 0.406 nan 8.230 nan 0.000 0.447 75 P HA 0.025 nan 4.420 nan 0.000 0.280 75 P C -1.184 175.989 177.300 -0.211 0.000 1.244 75 P CA -0.331 62.507 63.100 -0.437 0.000 0.784 75 P CB 1.026 32.321 31.700 -0.675 0.000 0.913 76 D N 5.287 125.624 120.400 -0.105 0.000 2.349 76 D HA 0.009 4.650 4.640 0.003 0.000 0.266 76 D C -0.972 175.265 176.300 -0.104 0.000 1.293 76 D CA -1.823 52.142 54.000 -0.057 0.000 0.926 76 D CB 0.702 41.501 40.800 -0.003 0.000 1.090 76 D HN 0.232 nan 8.370 nan 0.000 0.502 77 P HA -0.140 nan 4.420 nan 0.000 0.221 77 P C 0.381 177.601 177.300 -0.133 0.000 1.145 77 P CA 0.621 63.507 63.100 -0.357 0.000 0.795 77 P CB 0.291 31.434 31.700 -0.928 0.000 0.775 78 N N 0.270 118.912 118.700 -0.097 0.000 2.535 78 N HA -0.003 4.739 4.740 0.003 0.000 0.203 78 N C 1.041 176.578 175.510 0.044 0.000 1.301 78 N CA 0.580 53.622 53.050 -0.013 0.000 0.859 78 N CB 0.137 38.611 38.487 -0.022 0.000 1.055 78 N HN 0.457 nan 8.380 nan 0.000 0.457 79 K N -0.936 119.507 120.400 0.072 0.000 2.937 79 K HA 0.070 4.392 4.320 0.003 0.000 0.194 79 K C 0.178 176.862 176.600 0.141 0.000 1.589 79 K CA -0.546 55.795 56.287 0.090 0.000 1.303 79 K CB 0.139 32.686 32.500 0.077 0.000 1.864 79 K HN -0.093 nan 8.250 nan 0.000 0.608 80 F N 3.171 123.103 119.950 -0.031 0.000 2.516 80 F HA -0.147 4.382 4.527 0.003 0.000 0.350 80 F C 0.232 176.039 175.800 0.010 0.000 1.016 80 F CA -0.069 57.919 58.000 -0.021 0.000 1.253 80 F CB 0.328 39.300 39.000 -0.046 0.000 0.930 80 F HN 0.154 nan 8.300 nan 0.000 0.608 81 A N 8.091 130.695 122.820 -0.360 0.000 2.444 81 A HA 0.550 4.871 4.320 0.003 0.000 0.332 81 A C -0.509 176.873 177.584 -0.335 0.000 1.430 81 A CA -0.694 51.187 52.037 -0.261 0.000 0.975 81 A CB -0.323 18.565 19.000 -0.186 0.000 1.147 81 A HN 0.712 nan 8.150 nan 0.000 0.524 82 L N 3.404 124.551 121.223 -0.127 0.000 2.456 82 L HA 0.328 4.669 4.340 0.003 0.000 0.257 82 L C -0.667 176.201 176.870 -0.003 0.000 1.162 82 L CA -1.587 53.244 54.840 -0.016 0.000 0.808 82 L CB 0.801 42.910 42.059 0.084 0.000 1.136 82 L HN 0.546 nan 8.230 nan 0.000 0.466 83 P HA -0.031 nan 4.420 nan 0.000 0.229 83 P C -0.256 177.061 177.300 0.028 0.000 1.160 83 P CA 0.744 63.860 63.100 0.025 0.000 0.777 83 P CB 0.295 32.018 31.700 0.039 0.000 0.814 84 D N -1.707 118.716 120.400 0.039 0.000 2.450 84 D HA 0.465 5.106 4.640 0.003 0.000 0.238 84 D C 0.086 176.415 176.300 0.049 0.000 1.020 84 D CA -0.808 53.215 54.000 0.039 0.000 1.010 84 D CB 1.523 42.346 40.800 0.039 0.000 1.342 84 D HN -0.364 nan 8.370 nan 0.000 0.530 85 S N -0.760 114.976 115.700 0.059 0.000 2.752 85 S HA 0.080 4.551 4.470 0.003 0.000 0.242 85 S C 0.416 175.082 174.600 0.111 0.000 0.914 85 S CA -0.286 57.969 58.200 0.091 0.000 1.427 85 S CB 0.208 63.449 63.200 0.067 0.000 1.244 85 S HN 0.356 nan 8.310 nan 0.000 0.655 86 S N 1.576 117.327 115.700 0.085 0.000 2.548 86 S HA 0.160 4.632 4.470 0.003 0.000 0.215 86 S C 1.614 176.282 174.600 0.114 0.000 0.976 86 S CA -0.121 58.125 58.200 0.077 0.000 0.908 86 S CB -0.147 63.080 63.200 0.044 0.000 0.781 86 S HN 0.552 nan 8.310 nan 0.000 0.519 87 L N 1.575 122.877 121.223 0.131 0.000 2.283 87 L HA -0.067 4.275 4.340 0.003 0.000 0.217 87 L C 0.247 177.266 176.870 0.247 0.000 1.104 87 L CA 1.204 56.111 54.840 0.112 0.000 0.772 87 L CB -0.081 41.970 42.059 -0.014 0.000 0.899 87 L HN 0.509 nan 8.230 nan 0.000 0.439 88 F N -3.810 116.117 119.950 -0.039 0.000 2.944 88 F HA 0.254 4.782 4.527 0.003 0.000 0.324 88 F C -1.497 174.274 175.800 -0.049 0.000 1.151 88 F CA -1.485 56.486 58.000 -0.049 0.000 0.883 88 F CB 0.269 39.227 39.000 -0.069 0.000 1.341 88 F HN -0.304 nan 8.300 nan 0.000 0.456 89 D N 3.627 123.817 120.400 -0.351 0.000 2.428 89 D HA 0.360 5.002 4.640 0.003 0.000 0.221 89 D C -1.589 174.268 176.300 -0.738 0.000 1.123 89 D CA -2.595 51.134 54.000 -0.452 0.000 0.869 89 D CB 1.345 42.021 40.800 -0.206 0.000 1.032 89 D HN 0.289 nan 8.370 nan 0.000 0.506 90 P HA -0.089 nan 4.420 nan 0.000 0.236 90 P C 0.580 177.670 177.300 -0.350 0.000 1.172 90 P CA 0.643 63.309 63.100 -0.724 0.000 0.759 90 P CB 0.338 31.733 31.700 -0.510 0.000 0.843 91 T N -1.237 113.148 114.554 -0.281 0.000 3.031 91 T HA -0.006 4.345 4.350 0.003 0.000 0.254 91 T C 1.686 176.313 174.700 -0.123 0.000 1.060 91 T CA 1.773 63.777 62.100 -0.161 0.000 1.135 91 T CB -0.218 68.576 68.868 -0.124 0.000 0.896 91 T HN 0.320 nan 8.240 nan 0.000 0.472 92 T N -0.135 114.339 114.554 -0.133 0.000 2.985 92 T HA 0.247 4.598 4.350 0.003 0.000 0.254 92 T C 0.467 175.129 174.700 -0.063 0.000 1.021 92 T CA -0.508 61.547 62.100 -0.075 0.000 0.957 92 T CB 0.129 68.966 68.868 -0.051 0.000 1.047 92 T HN 0.476 nan 8.240 nan 0.000 0.511 93 Q N 0.093 119.838 119.800 -0.092 0.000 2.451 93 Q HA 0.731 5.072 4.340 0.003 0.000 0.281 93 Q C -1.287 174.681 176.000 -0.054 0.000 1.099 93 Q CA -1.364 54.418 55.803 -0.035 0.000 0.806 93 Q CB 2.082 30.874 28.738 0.090 0.000 1.419 93 Q HN -0.072 nan 8.270 nan 0.000 0.427 94 R N 0.768 121.140 120.500 -0.214 0.000 2.892 94 R HA 0.621 4.962 4.340 0.003 0.000 0.265 94 R C -0.782 175.281 176.300 -0.395 0.000 1.025 94 R CA -0.908 54.914 56.100 -0.463 0.000 0.982 94 R CB 1.654 31.134 30.300 -1.366 0.000 1.185 94 R HN 0.649 nan 8.270 nan 0.000 0.484 95 L N 1.053 122.030 121.223 -0.410 0.000 2.334 95 L HA 0.677 5.018 4.340 0.003 0.000 0.275 95 L C -0.406 176.271 176.870 -0.321 0.000 1.036 95 L CA -0.996 53.596 54.840 -0.415 0.000 0.807 95 L CB 1.786 43.539 42.059 -0.510 0.000 1.231 95 L HN 0.150 nan 8.230 nan 0.000 0.438 96 V N 0.027 119.730 119.914 -0.351 0.000 2.932 96 V HA 0.324 4.445 4.120 0.003 0.000 0.307 96 V C -1.308 174.585 176.094 -0.336 0.000 1.147 96 V CA -0.863 61.294 62.300 -0.238 0.000 0.951 96 V CB 2.079 33.839 31.823 -0.105 0.000 1.031 96 V HN 0.645 nan 8.190 nan 0.000 0.426 97 W N 2.078 123.290 121.300 -0.147 0.000 2.351 97 W HA 0.714 5.375 4.660 0.003 0.000 0.311 97 W C 0.265 176.731 176.519 -0.088 0.000 1.168 97 W CA -0.326 56.939 57.345 -0.133 0.000 1.200 97 W CB 1.545 30.862 29.460 -0.237 0.000 1.221 97 W HN 0.730 nan 8.180 nan 0.000 0.519 98 A N 3.325 126.330 122.820 0.308 0.000 2.331 98 A HA 0.484 4.805 4.320 0.003 0.000 0.320 98 A C -1.006 176.739 177.584 0.268 0.000 1.138 98 A CA -0.665 51.460 52.037 0.148 0.000 0.790 98 A CB 0.832 19.843 19.000 0.018 0.000 1.206 98 A HN 0.743 nan 8.150 nan 0.000 0.470 99 C N 2.365 121.771 119.300 0.176 0.000 2.566 99 C HA 0.445 4.907 4.460 0.003 0.000 0.393 99 C C 1.580 176.543 174.990 -0.045 0.000 1.309 99 C CA 0.584 59.642 59.018 0.066 0.000 1.801 99 C CB -0.791 26.997 27.740 0.080 0.000 2.493 99 C HN 0.893 nan 8.230 nan 0.000 0.575 100 T N 3.305 117.814 114.554 -0.075 0.000 3.042 100 T HA 0.364 4.715 4.350 0.003 0.000 0.245 100 T C 0.630 175.377 174.700 0.080 0.000 1.029 100 T CA 0.926 63.050 62.100 0.040 0.000 1.120 100 T CB 0.218 69.146 68.868 0.100 0.000 0.917 100 T HN 1.001 nan 8.240 nan 0.000 0.467 101 G N 0.733 109.483 108.800 -0.084 0.000 2.579 101 G HA2 0.567 4.529 3.960 0.003 0.000 0.292 101 G HA3 0.567 4.529 3.960 0.003 0.000 0.292 101 G C -2.110 172.520 174.900 -0.450 0.000 1.484 101 G CA -0.847 44.128 45.100 -0.208 0.000 0.813 101 G HN 0.435 nan 8.290 nan 0.000 0.515 102 L N -1.855 119.018 121.223 -0.583 0.000 2.491 102 L HA 1.052 5.393 4.340 0.003 0.000 0.254 102 L C -1.237 175.189 176.870 -0.740 0.000 1.048 102 L CA -1.043 53.400 54.840 -0.660 0.000 0.855 102 L CB 2.678 44.385 42.059 -0.587 0.000 1.466 102 L HN 0.699 nan 8.230 nan 0.000 0.409 103 E N 0.875 120.640 120.200 -0.725 0.000 2.287 103 E HA 0.445 4.796 4.350 0.003 0.000 0.274 103 E C -1.888 174.426 176.600 -0.477 0.000 0.896 103 E CA -0.727 55.294 56.400 -0.631 0.000 0.788 103 E CB 2.472 31.860 29.700 -0.520 0.000 1.244 103 E HN 0.573 nan 8.360 nan 0.000 0.408 104 V N 4.436 124.175 119.914 -0.292 0.000 2.299 104 V HA 0.359 4.480 4.120 0.003 0.000 0.255 104 V C 0.882 176.910 176.094 -0.110 0.000 1.100 104 V CA 0.050 62.259 62.300 -0.152 0.000 0.938 104 V CB 0.587 32.468 31.823 0.097 0.000 1.139 104 V HN 0.734 nan 8.190 nan 0.000 0.490 105 G N 5.364 114.068 108.800 -0.160 0.000 2.398 105 G HA2 0.376 4.337 3.960 0.003 0.000 0.246 105 G HA3 0.376 4.337 3.960 0.003 0.000 0.246 105 G C -0.057 174.746 174.900 -0.161 0.000 1.289 105 G CA -0.419 44.603 45.100 -0.130 0.000 0.869 105 G HN 0.518 nan 8.290 nan 0.000 0.543 106 R N 1.558 121.956 120.500 -0.170 0.000 2.483 106 R HA 0.407 4.748 4.340 0.003 0.000 0.303 106 R C 0.439 176.620 176.300 -0.199 0.000 0.987 106 R CA -0.512 55.420 56.100 -0.280 0.000 0.881 106 R CB 1.689 31.816 30.300 -0.287 0.000 1.177 106 R HN 0.659 nan 8.270 nan 0.000 0.451 107 G N 0.988 109.656 108.800 -0.220 0.000 2.531 107 G HA2 0.379 4.341 3.960 0.003 0.000 0.281 107 G HA3 0.379 4.341 3.960 0.003 0.000 0.281 107 G C -0.781 174.034 174.900 -0.141 0.000 1.382 107 G CA -0.143 44.871 45.100 -0.143 0.000 1.045 107 G HN 0.408 nan 8.290 nan 0.000 0.533 108 Q N -1.284 118.457 119.800 -0.098 0.000 3.243 108 Q HA -0.130 4.212 4.340 0.003 0.000 0.024 108 Q C -2.500 173.464 176.000 -0.059 0.000 1.715 108 Q CA 0.436 56.191 55.803 -0.080 0.000 0.237 108 Q CB -1.396 27.278 28.738 -0.107 0.000 0.590 108 Q HN 0.593 nan 8.270 nan 0.000 0.322 109 P HA 0.255 nan 4.420 nan 0.000 0.274 109 P C -0.097 177.197 177.300 -0.010 0.000 1.256 109 P CA -0.597 62.492 63.100 -0.019 0.000 0.795 109 P CB 0.560 32.253 31.700 -0.010 0.000 1.038 110 L N 0.120 121.343 121.223 0.001 0.000 2.436 110 L HA 0.631 4.973 4.340 0.003 0.000 0.265 110 L C 1.152 178.034 176.870 0.019 0.000 1.168 110 L CA 1.158 56.006 54.840 0.013 0.000 0.815 110 L CB 0.105 42.176 42.059 0.019 0.000 1.109 110 L HN 0.834 nan 8.230 nan 0.000 0.462 111 G N 0.928 109.745 108.800 0.027 0.000 2.328 111 G HA2 0.505 4.466 3.960 0.003 0.000 0.295 111 G HA3 0.505 4.466 3.960 0.003 0.000 0.295 111 G C -1.673 173.250 174.900 0.038 0.000 1.413 111 G CA -0.108 45.011 45.100 0.032 0.000 0.817 111 G HN 0.714 nan 8.290 nan 0.000 0.546 112 V N -1.711 118.230 119.914 0.045 0.000 2.881 112 V HA 1.009 5.131 4.120 0.003 0.000 0.316 112 V C 0.499 176.625 176.094 0.054 0.000 1.070 112 V CA -0.256 62.086 62.300 0.069 0.000 0.976 112 V CB 1.731 33.606 31.823 0.088 0.000 1.038 112 V HN 1.828 nan 8.190 nan 0.000 0.446 113 G N 1.592 110.460 108.800 0.114 0.000 2.417 113 G HA2 0.584 4.545 3.960 0.003 0.000 0.320 113 G HA3 0.584 4.545 3.960 0.003 0.000 0.320 113 G C -0.751 174.170 174.900 0.036 0.000 1.204 113 G CA -0.635 44.510 45.100 0.075 0.000 0.923 113 G HN 0.959 nan 8.290 nan 0.000 0.466 114 V N 1.878 121.782 119.914 -0.017 0.000 2.583 114 V HA 0.519 4.640 4.120 0.003 0.000 0.287 114 V C 0.401 176.459 176.094 -0.061 0.000 1.051 114 V CA -0.237 62.022 62.300 -0.068 0.000 1.010 114 V CB 1.079 32.889 31.823 -0.021 0.000 0.988 114 V HN 0.724 nan 8.190 nan 0.000 0.478 115 S N 1.912 117.437 115.700 -0.292 0.000 2.599 115 S HA 0.963 5.434 4.470 0.003 0.000 0.294 115 S C 0.219 174.593 174.600 -0.378 0.000 1.094 115 S CA -0.107 57.839 58.200 -0.423 0.000 0.931 115 S CB 2.146 64.869 63.200 -0.796 0.000 1.093 115 S HN 1.221 nan 8.310 nan 0.000 0.488 116 G N 0.341 108.873 108.800 -0.447 0.000 2.561 116 G HA2 0.584 4.546 3.960 0.003 0.000 0.310 116 G HA3 0.584 4.546 3.960 0.003 0.000 0.310 116 G C -2.209 172.569 174.900 -0.205 0.000 1.292 116 G CA -0.388 44.567 45.100 -0.241 0.000 0.811 116 G HN 0.671 nan 8.290 nan 0.000 0.482 117 H N -0.465 118.496 119.070 -0.182 0.000 3.137 117 H HA 0.383 4.941 4.556 0.003 0.000 0.336 117 H C -2.361 172.911 175.328 -0.093 0.000 1.055 117 H CA -1.197 54.766 56.048 -0.140 0.000 1.349 117 H CB 2.763 32.441 29.762 -0.140 0.000 1.939 117 H HN 0.143 nan 8.280 nan 0.000 0.487 118 P HA 0.021 nan 4.420 nan 0.000 0.219 118 P C 0.287 177.647 177.300 0.099 0.000 1.150 118 P CA 1.051 64.239 63.100 0.147 0.000 0.814 118 P CB 0.498 32.265 31.700 0.111 0.000 0.787 119 L N -0.998 120.304 121.223 0.131 0.000 2.732 119 L HA 0.302 4.644 4.340 0.003 0.000 0.246 119 L C -0.252 176.299 176.870 -0.532 0.000 1.407 119 L CA -0.890 53.853 54.840 -0.161 0.000 0.861 119 L CB 0.494 42.508 42.059 -0.076 0.000 1.161 119 L HN -0.080 nan 8.230 nan 0.000 0.510 120 L N 1.099 122.064 121.223 -0.430 0.000 2.380 120 L HA 0.243 4.584 4.340 0.003 0.000 0.273 120 L C 0.948 177.653 176.870 -0.275 0.000 1.138 120 L CA 0.395 54.977 54.840 -0.430 0.000 0.832 120 L CB 0.638 42.560 42.059 -0.229 0.000 1.124 120 L HN 0.242 nan 8.230 nan 0.000 0.454 121 N N 4.699 123.260 118.700 -0.232 0.000 3.103 121 N HA -0.019 4.722 4.740 0.003 0.000 0.305 121 N C -0.827 174.627 175.510 -0.094 0.000 1.232 121 N CA 0.179 53.147 53.050 -0.136 0.000 1.190 121 N CB -0.271 38.154 38.487 -0.102 0.000 1.461 121 N HN 0.463 nan 8.380 nan 0.000 0.538 122 K N 3.198 123.508 120.400 -0.151 0.000 2.473 122 K HA 0.016 4.338 4.320 0.003 0.000 0.246 122 K C -0.060 176.436 176.600 -0.173 0.000 1.011 122 K CA -0.552 55.589 56.287 -0.244 0.000 0.984 122 K CB 0.266 32.411 32.500 -0.592 0.000 1.250 122 K HN 0.228 nan 8.250 nan 0.000 0.454 123 Y N 3.089 123.288 120.300 -0.168 0.000 2.277 123 Y HA 0.024 4.578 4.550 0.006 0.000 0.258 123 Y C 0.347 176.174 175.900 -0.121 0.000 1.056 123 Y CA 1.295 59.319 58.100 -0.126 0.000 1.057 123 Y CB 0.160 38.574 38.460 -0.077 0.000 1.018 123 Y HN 0.509 nan 8.280 nan 0.000 0.471 124 D N 0.485 120.697 120.400 -0.312 0.000 2.248 124 D HA 0.098 4.740 4.640 0.003 0.000 0.246 124 D C -1.536 174.751 176.300 -0.022 0.000 1.027 124 D CA -0.447 53.350 54.000 -0.339 0.000 0.853 124 D CB 1.318 41.883 40.800 -0.391 0.000 1.243 124 D HN 0.276 nan 8.370 nan 0.000 0.462 125 D N 2.036 122.439 120.400 0.004 0.000 2.339 125 D HA -0.004 4.637 4.640 0.003 0.000 0.256 125 D C 1.096 177.516 176.300 0.201 0.000 1.214 125 D CA -0.327 53.804 54.000 0.220 0.000 0.877 125 D CB 1.038 41.943 40.800 0.175 0.000 1.111 125 D HN 0.123 nan 8.370 nan 0.000 0.478 126 V N 1.448 121.532 119.914 0.283 0.000 3.650 126 V HA 0.118 4.240 4.120 0.003 0.000 0.271 126 V C 1.763 177.934 176.094 0.128 0.000 1.281 126 V CA 0.752 63.164 62.300 0.187 0.000 1.120 126 V CB -0.416 31.526 31.823 0.198 0.000 0.856 126 V HN 0.593 nan 8.190 nan 0.000 0.443 127 E N 1.602 121.940 120.200 0.229 0.000 2.058 127 E HA -0.214 4.137 4.350 0.003 0.000 0.194 127 E C 0.509 177.171 176.600 0.103 0.000 0.997 127 E CA 1.529 58.054 56.400 0.209 0.000 0.801 127 E CB 0.129 30.050 29.700 0.368 0.000 0.746 127 E HN 0.649 nan 8.360 nan 0.000 0.450 128 N N -0.221 118.547 118.700 0.113 0.000 2.747 128 N HA 0.097 4.838 4.740 0.003 0.000 0.262 128 N C -2.074 173.478 175.510 0.070 0.000 1.261 128 N CA -0.131 52.964 53.050 0.075 0.000 0.809 128 N CB 1.745 40.277 38.487 0.075 0.000 1.450 128 N HN 0.109 nan 8.380 nan 0.000 0.560 129 S N -0.235 115.499 115.700 0.056 0.000 2.521 129 S HA 0.697 5.169 4.470 0.003 0.000 0.295 129 S C 1.188 175.813 174.600 0.041 0.000 1.098 129 S CA -0.338 57.887 58.200 0.041 0.000 0.999 129 S CB 1.791 65.009 63.200 0.030 0.000 1.034 129 S HN 0.368 nan 8.310 nan 0.000 0.483 130 G N 2.634 111.453 108.800 0.032 0.000 2.910 130 G HA2 0.335 4.297 3.960 0.003 0.000 0.206 130 G HA3 0.335 4.297 3.960 0.003 0.000 0.206 130 G C 0.611 175.545 174.900 0.057 0.000 1.406 130 G CA 0.529 45.652 45.100 0.037 0.000 0.816 130 G HN 1.210 nan 8.290 nan 0.000 0.669 131 G N -2.823 106.013 108.800 0.060 0.000 2.644 131 G HA2 0.443 4.404 3.960 0.003 0.000 0.307 131 G HA3 0.443 4.404 3.960 0.003 0.000 0.307 131 G C -1.363 173.618 174.900 0.135 0.000 1.250 131 G CA -0.852 44.310 45.100 0.104 0.000 0.996 131 G HN 0.215 nan 8.290 nan 0.000 0.489 132 Y N 1.827 122.144 120.300 0.029 0.000 2.601 132 Y HA 0.292 4.843 4.550 0.001 0.000 0.350 132 Y C 1.518 177.441 175.900 0.039 0.000 1.230 132 Y CA 0.353 58.477 58.100 0.040 0.000 1.733 132 Y CB -0.376 38.107 38.460 0.039 0.000 1.497 132 Y HN 0.575 nan 8.280 nan 0.000 0.472 133 G N 2.220 111.009 108.800 -0.018 0.000 2.661 133 G HA2 0.258 4.220 3.960 0.003 0.000 0.272 133 G HA3 0.258 4.220 3.960 0.003 0.000 0.272 133 G C 0.777 175.690 174.900 0.022 0.000 1.296 133 G CA -0.237 44.861 45.100 -0.004 0.000 0.998 133 G HN 0.802 nan 8.290 nan 0.000 0.553 134 G N -1.371 107.455 108.800 0.042 0.000 2.529 134 G HA2 0.319 4.281 3.960 0.003 0.000 0.277 134 G HA3 0.319 4.281 3.960 0.003 0.000 0.277 134 G C -0.073 174.878 174.900 0.084 0.000 1.383 134 G CA -0.592 44.545 45.100 0.063 0.000 1.050 134 G HN 0.701 nan 8.290 nan 0.000 0.526 135 N N 0.705 119.447 118.700 0.071 0.000 2.362 135 N HA 0.414 5.156 4.740 0.003 0.000 0.298 135 N C -2.402 173.121 175.510 0.021 0.000 1.048 135 N CA -1.032 52.042 53.050 0.040 0.000 0.858 135 N CB 1.896 40.384 38.487 0.001 0.000 1.218 135 N HN 0.357 nan 8.380 nan 0.000 0.488 136 P HA 0.062 nan 4.420 nan 0.000 0.267 136 P C 0.086 177.320 177.300 -0.109 0.000 1.200 136 P CA -0.167 62.838 63.100 -0.159 0.000 0.772 136 P CB 1.012 32.284 31.700 -0.714 0.000 0.855 137 G N 2.163 110.932 108.800 -0.052 0.000 3.226 137 G HA2 0.160 4.121 3.960 0.003 0.000 0.190 137 G HA3 0.160 4.121 3.960 0.003 0.000 0.190 137 G C -0.490 174.374 174.900 -0.061 0.000 1.988 137 G CA -0.216 44.857 45.100 -0.045 0.000 0.859 137 G HN 0.631 nan 8.290 nan 0.000 0.631 138 Q N 0.437 120.212 119.800 -0.042 0.000 2.330 138 Q HA 0.390 4.731 4.340 0.003 0.000 0.269 138 Q C -1.618 174.359 176.000 -0.037 0.000 1.022 138 Q CA -0.678 55.099 55.803 -0.045 0.000 0.796 138 Q CB 2.433 31.150 28.738 -0.035 0.000 1.271 138 Q HN 0.503 nan 8.270 nan 0.000 0.450 139 D N 2.147 122.519 120.400 -0.046 0.000 4.621 139 D HA -0.139 4.502 4.640 0.003 0.000 0.241 139 D C -0.908 175.378 176.300 -0.024 0.000 1.065 139 D CA 0.633 54.610 54.000 -0.039 0.000 1.247 139 D CB -0.395 40.385 40.800 -0.033 0.000 0.793 139 D HN 0.807 nan 8.370 nan 0.000 0.391 140 N N 1.761 120.452 118.700 -0.016 0.000 2.170 140 N HA 0.118 4.859 4.740 0.003 0.000 0.222 140 N C -0.036 175.466 175.510 -0.013 0.000 1.218 140 N CA -0.423 52.641 53.050 0.023 0.000 0.889 140 N CB 0.502 39.072 38.487 0.139 0.000 1.083 140 N HN 0.252 nan 8.380 nan 0.000 0.520 141 R N 0.794 121.263 120.500 -0.051 0.000 2.678 141 R HA 0.176 4.517 4.340 0.003 0.000 0.264 141 R C 0.031 176.275 176.300 -0.094 0.000 0.995 141 R CA 0.279 56.322 56.100 -0.096 0.000 1.098 141 R CB 0.291 30.518 30.300 -0.122 0.000 0.949 141 R HN -0.017 nan 8.270 nan 0.000 0.422 142 V N -1.153 118.686 119.914 -0.125 0.000 3.078 142 V HA 0.322 4.444 4.120 0.003 0.000 0.311 142 V C -0.380 175.651 176.094 -0.104 0.000 1.138 142 V CA -1.205 61.028 62.300 -0.111 0.000 1.007 142 V CB 2.117 33.857 31.823 -0.139 0.000 1.045 142 V HN 0.823 nan 8.190 nan 0.000 0.432 143 N N 1.050 119.709 118.700 -0.069 0.000 2.416 143 N HA 0.476 5.218 4.740 0.003 0.000 0.265 143 N C -0.837 174.639 175.510 -0.057 0.000 1.195 143 N CA -0.173 52.852 53.050 -0.042 0.000 0.943 143 N CB 0.771 39.244 38.487 -0.023 0.000 1.115 143 N HN 0.645 nan 8.380 nan 0.000 0.481 144 V N 1.558 121.444 119.914 -0.047 0.000 2.823 144 V HA 0.775 4.896 4.120 0.003 0.000 0.312 144 V C 0.476 176.558 176.094 -0.021 0.000 1.072 144 V CA -0.799 61.479 62.300 -0.036 0.000 0.937 144 V CB 1.950 33.752 31.823 -0.034 0.000 1.013 144 V HN 0.734 nan 8.190 nan 0.000 0.430 145 G N 4.080 112.872 108.800 -0.014 0.000 2.731 145 G HA2 0.767 4.729 3.960 0.003 0.000 0.298 145 G HA3 0.767 4.729 3.960 0.003 0.000 0.298 145 G C -1.111 173.769 174.900 -0.033 0.000 1.424 145 G CA -0.524 44.551 45.100 -0.043 0.000 1.029 145 G HN 0.725 nan 8.290 nan 0.000 0.518 146 M N 0.760 120.307 119.600 -0.088 0.000 3.213 146 M HA 0.604 5.085 4.480 0.003 0.000 0.278 146 M C -2.228 173.960 176.300 -0.186 0.000 1.332 146 M CA -0.865 54.382 55.300 -0.088 0.000 0.810 146 M CB 1.985 34.558 32.600 -0.044 0.000 1.676 146 M HN 0.521 nan 8.290 nan 0.000 0.463 147 D N 0.787 121.097 120.400 -0.149 0.000 2.256 147 D HA 0.428 5.069 4.640 0.003 0.000 0.246 147 D C -1.084 175.157 176.300 -0.098 0.000 1.042 147 D CA -0.215 53.693 54.000 -0.155 0.000 0.841 147 D CB 1.302 42.080 40.800 -0.036 0.000 1.223 147 D HN 0.670 nan 8.370 nan 0.000 0.470 148 Y N 0.315 120.494 120.300 -0.201 0.000 2.220 148 Y HA 0.033 4.585 4.550 0.003 0.000 0.347 148 Y C 1.552 177.406 175.900 -0.076 0.000 1.311 148 Y CA -0.940 56.995 58.100 -0.274 0.000 1.593 148 Y CB 0.895 38.890 38.460 -0.774 0.000 1.419 148 Y HN 0.287 nan 8.280 nan 0.000 0.614 149 K N 2.043 122.517 120.400 0.124 0.000 2.368 149 K HA 0.019 4.340 4.320 0.003 0.000 0.282 149 K C -0.502 176.248 176.600 0.249 0.000 1.035 149 K CA -0.423 55.933 56.287 0.114 0.000 0.973 149 K CB 0.675 33.198 32.500 0.039 0.000 0.957 149 K HN 0.625 nan 8.250 nan 0.000 0.474 150 Q N 2.695 122.622 119.800 0.210 0.000 2.332 150 Q HA 0.103 4.445 4.340 0.003 0.000 0.263 150 Q C -1.188 174.918 176.000 0.178 0.000 0.979 150 Q CA 0.241 56.171 55.803 0.212 0.000 0.885 150 Q CB 0.929 29.762 28.738 0.158 0.000 1.218 150 Q HN 0.722 nan 8.270 nan 0.000 0.405 151 T N 4.335 118.989 114.554 0.166 0.000 3.105 151 T HA 0.311 4.663 4.350 0.003 0.000 0.321 151 T C -1.381 173.402 174.700 0.138 0.000 1.135 151 T CA -0.712 61.478 62.100 0.150 0.000 1.053 151 T CB 1.505 70.472 68.868 0.164 0.000 1.133 151 T HN 0.590 nan 8.240 nan 0.000 0.463 152 Q N 2.286 122.167 119.800 0.135 0.000 2.304 152 Q HA 0.757 5.099 4.340 0.003 0.000 0.270 152 Q C -1.289 174.788 176.000 0.129 0.000 1.035 152 Q CA -1.055 54.843 55.803 0.158 0.000 0.781 152 Q CB 2.722 31.493 28.738 0.054 0.000 1.261 152 Q HN 0.634 nan 8.270 nan 0.000 0.444 153 L N -0.358 121.000 121.223 0.226 0.000 2.622 153 L HA 0.934 5.275 4.340 0.003 0.000 0.258 153 L C -1.799 175.259 176.870 0.313 0.000 0.996 153 L CA -0.668 54.292 54.840 0.201 0.000 0.858 153 L CB 2.284 44.468 42.059 0.209 0.000 1.449 153 L HN 0.756 nan 8.230 nan 0.000 0.411 154 C N 4.257 123.709 119.300 0.254 0.000 3.046 154 C HA 0.865 5.327 4.460 0.003 0.000 0.388 154 C C -1.335 173.823 174.990 0.280 0.000 1.041 154 C CA -0.434 58.785 59.018 0.335 0.000 1.241 154 C CB 1.083 29.079 27.740 0.427 0.000 1.638 154 C HN 1.192 nan 8.230 nan 0.000 0.539 155 M N 5.431 125.208 119.600 0.294 0.000 2.277 155 M HA 0.710 5.191 4.480 0.003 0.000 0.282 155 M C -1.546 174.899 176.300 0.242 0.000 1.074 155 M CA -0.540 54.931 55.300 0.286 0.000 0.954 155 M CB 1.451 34.182 32.600 0.218 0.000 1.672 155 M HN 0.308 nan 8.290 nan 0.000 0.471 156 V N 1.944 122.034 119.914 0.293 0.000 2.713 156 V HA 1.031 5.152 4.120 0.003 0.000 0.307 156 V C 0.510 176.458 176.094 -0.244 0.000 1.052 156 V CA 0.014 62.423 62.300 0.183 0.000 0.967 156 V CB 1.605 33.663 31.823 0.392 0.000 1.019 156 V HN 1.103 nan 8.190 nan 0.000 0.459 157 G N 0.417 108.984 108.800 -0.388 0.000 2.523 157 G HA2 0.388 4.350 3.960 0.003 0.000 0.291 157 G HA3 0.388 4.350 3.960 0.003 0.000 0.291 157 G C -0.244 174.484 174.900 -0.288 0.000 1.450 157 G CA 0.101 44.710 45.100 -0.818 0.000 0.790 157 G HN 1.076 nan 8.290 nan 0.000 0.496 158 C N -0.663 118.557 119.300 -0.133 0.000 2.688 158 C HA 0.788 5.249 4.460 0.003 0.000 0.297 158 C C 0.902 175.950 174.990 0.096 0.000 1.308 158 C CA -0.030 59.061 59.018 0.121 0.000 1.726 158 C CB -1.544 26.376 27.740 0.301 0.000 1.982 158 C HN 1.527 nan 8.230 nan 0.000 0.604 159 A N 1.218 124.032 122.820 -0.011 0.000 2.549 159 A HA 0.862 5.184 4.320 0.003 0.000 0.297 159 A C -2.947 174.559 177.584 -0.130 0.000 1.061 159 A CA -1.139 50.891 52.037 -0.012 0.000 0.690 159 A CB 0.994 20.029 19.000 0.059 0.000 1.287 159 A HN 0.182 nan 8.150 nan 0.000 0.402 160 P HA 0.214 nan 4.420 nan 0.000 0.267 160 P C -2.639 174.567 177.300 -0.157 0.000 1.200 160 P CA -0.559 62.380 63.100 -0.269 0.000 0.772 160 P CB -0.072 31.378 31.700 -0.415 0.000 0.855 161 P HA 0.220 nan 4.420 nan 0.000 0.274 161 P C -0.533 176.676 177.300 -0.152 0.000 1.237 161 P CA 0.021 63.040 63.100 -0.136 0.000 0.793 161 P CB 0.871 32.493 31.700 -0.131 0.000 0.977 162 L N 1.020 122.142 121.223 -0.167 0.000 2.329 162 L HA 0.698 5.039 4.340 0.003 0.000 0.279 162 L C 0.956 177.700 176.870 -0.209 0.000 1.014 162 L CA -0.411 54.335 54.840 -0.156 0.000 0.814 162 L CB 1.884 43.873 42.059 -0.116 0.000 1.257 162 L HN 0.524 nan 8.230 nan 0.000 0.424 163 G N 1.492 110.189 108.800 -0.171 0.000 2.714 163 G HA2 0.743 4.705 3.960 0.003 0.000 0.292 163 G HA3 0.743 4.705 3.960 0.003 0.000 0.292 163 G C -1.598 173.255 174.900 -0.079 0.000 1.308 163 G CA -0.379 44.627 45.100 -0.157 0.000 0.964 163 G HN 0.644 nan 8.290 nan 0.000 0.484 164 E N -0.657 119.533 120.200 -0.017 0.000 2.314 164 E HA 0.631 4.983 4.350 0.003 0.000 0.272 164 E C -1.316 175.309 176.600 0.042 0.000 0.884 164 E CA -1.043 55.319 56.400 -0.062 0.000 0.753 164 E CB 2.405 32.040 29.700 -0.109 0.000 1.213 164 E HN 0.782 nan 8.360 nan 0.000 0.432 165 H N 0.189 119.145 119.070 -0.190 0.000 2.981 165 H HA 0.340 4.897 4.556 0.002 0.000 0.327 165 H C -1.830 173.326 175.328 -0.287 0.000 1.342 165 H CA -1.220 54.746 56.048 -0.136 0.000 1.123 165 H CB 0.515 30.249 29.762 -0.046 0.000 1.851 165 H HN 0.625 nan 8.280 nan 0.000 0.531 166 W N 0.892 122.183 121.300 -0.014 0.000 2.391 166 W HA 0.612 5.274 4.660 0.003 0.000 0.311 166 W C 0.446 176.951 176.519 -0.024 0.000 1.087 166 W CA -0.140 57.157 57.345 -0.079 0.000 1.209 166 W CB 1.973 31.401 29.460 -0.052 0.000 1.273 166 W HN 0.876 nan 8.180 nan 0.000 0.482 167 G N 1.874 110.740 108.800 0.110 0.000 2.685 167 G HA2 0.419 4.381 3.960 0.003 0.000 0.298 167 G HA3 0.419 4.381 3.960 0.003 0.000 0.298 167 G C -1.396 173.563 174.900 0.099 0.000 1.277 167 G CA -1.182 43.984 45.100 0.111 0.000 0.986 167 G HN 0.287 nan 8.290 nan 0.000 0.487 168 K N 0.309 120.753 120.400 0.074 0.000 2.412 168 K HA 0.329 4.650 4.320 0.003 0.000 0.284 168 K C 0.928 177.556 176.600 0.047 0.000 1.046 168 K CA 0.011 56.333 56.287 0.059 0.000 0.999 168 K CB 0.097 32.624 32.500 0.045 0.000 0.941 168 K HN 0.508 nan 8.250 nan 0.000 0.474 169 G N 2.150 110.981 108.800 0.053 0.000 2.516 169 G HA2 0.142 4.103 3.960 0.003 0.000 0.276 169 G HA3 0.142 4.103 3.960 0.003 0.000 0.276 169 G C -0.832 174.084 174.900 0.027 0.000 1.390 169 G CA -0.434 44.690 45.100 0.040 0.000 1.050 169 G HN 0.578 nan 8.290 nan 0.000 0.519 170 T N 0.960 115.526 114.554 0.021 0.000 2.815 170 T HA 0.368 4.720 4.350 0.003 0.000 0.289 170 T C 0.074 174.783 174.700 0.016 0.000 1.000 170 T CA -0.395 61.714 62.100 0.015 0.000 0.958 170 T CB 1.227 70.101 68.868 0.010 0.000 0.944 170 T HN 0.634 nan 8.240 nan 0.000 0.442 171 Q N 2.271 122.080 119.800 0.014 0.000 2.364 171 Q HA 0.412 4.754 4.340 0.003 0.000 0.267 171 Q C 0.319 176.326 176.000 0.010 0.000 0.999 171 Q CA -0.557 55.254 55.803 0.013 0.000 0.886 171 Q CB 0.392 29.137 28.738 0.011 0.000 1.243 171 Q HN 0.634 nan 8.270 nan 0.000 0.415 172 S N 2.085 117.791 115.700 0.010 0.000 2.598 172 S HA 0.166 4.637 4.470 0.003 0.000 0.267 172 S C 0.276 174.880 174.600 0.006 0.000 1.189 172 S CA -0.739 57.465 58.200 0.008 0.000 1.010 172 S CB 0.480 63.685 63.200 0.008 0.000 1.084 172 S HN 0.621 nan 8.310 nan 0.000 0.541 173 S N 1.466 117.169 115.700 0.005 0.000 3.864 173 S HA 0.192 4.664 4.470 0.003 0.000 0.202 173 S C 0.101 174.703 174.600 0.004 0.000 1.402 173 S CA -0.348 57.855 58.200 0.004 0.000 1.072 173 S CB -1.615 61.587 63.200 0.004 0.000 1.383 173 S HN 0.577 nan 8.310 nan 0.000 0.458 174 N N 0.263 118.966 118.700 0.005 0.000 2.525 174 N HA 0.258 5.000 4.740 0.003 0.000 0.288 174 N C -0.548 174.964 175.510 0.004 0.000 1.242 174 N CA -0.783 52.270 53.050 0.004 0.000 0.905 174 N CB 0.841 39.331 38.487 0.005 0.000 1.258 174 N HN 0.074 nan 8.380 nan 0.000 0.551 175 T N 0.960 115.516 114.554 0.003 0.000 2.777 175 T HA -0.134 4.217 4.350 0.003 0.000 0.273 175 T C 0.418 175.120 174.700 0.002 0.000 1.016 175 T CA 0.534 62.636 62.100 0.002 0.000 1.156 175 T CB -0.031 68.838 68.868 0.002 0.000 1.019 175 T HN 0.420 nan 8.240 nan 0.000 0.503 176 S N 3.140 118.841 115.700 0.002 0.000 2.737 176 S HA 0.021 4.493 4.470 0.003 0.000 0.315 176 S C 0.884 175.485 174.600 0.002 0.000 1.236 176 S CA -0.822 57.379 58.200 0.002 0.000 1.093 176 S CB -0.399 62.802 63.200 0.001 0.000 0.832 176 S HN 0.752 nan 8.310 nan 0.000 0.507 177 V N 5.664 125.580 119.914 0.003 0.000 2.399 177 V HA 0.183 4.304 4.120 0.003 0.000 0.245 177 V C 0.573 176.668 176.094 0.001 0.000 1.089 177 V CA -0.620 61.682 62.300 0.003 0.000 1.196 177 V CB -0.657 31.169 31.823 0.004 0.000 1.221 177 V HN 0.770 nan 8.190 nan 0.000 0.482 178 Q N 3.664 123.464 119.800 -0.000 0.000 2.310 178 Q HA 0.001 4.343 4.340 0.003 0.000 0.315 178 Q C 0.420 176.419 176.000 -0.002 0.000 1.081 178 Q CA 0.683 56.485 55.803 -0.001 0.000 0.981 178 Q CB -0.082 28.654 28.738 -0.003 0.000 1.184 178 Q HN 0.912 nan 8.270 nan 0.000 0.389 179 N N 0.507 119.206 118.700 -0.002 0.000 2.294 179 N HA 0.039 4.780 4.740 0.003 0.000 0.263 179 N C 0.911 176.419 175.510 -0.004 0.000 1.281 179 N CA 0.742 53.791 53.050 -0.002 0.000 0.846 179 N CB 0.173 38.658 38.487 -0.003 0.000 1.061 179 N HN 0.822 nan 8.380 nan 0.000 0.478 180 G N 1.616 110.415 108.800 -0.003 0.000 2.213 180 G HA2 -0.221 3.740 3.960 0.003 0.000 0.226 180 G HA3 -0.221 3.740 3.960 0.003 0.000 0.226 180 G C -0.252 174.646 174.900 -0.004 0.000 0.992 180 G CA -0.471 44.626 45.100 -0.005 0.000 0.632 180 G HN 0.573 nan 8.290 nan 0.000 0.511 181 D N 0.371 120.770 120.400 -0.002 0.000 2.399 181 D HA 0.298 4.940 4.640 0.003 0.000 0.241 181 D C 1.153 177.452 176.300 -0.000 0.000 1.133 181 D CA 0.240 54.239 54.000 -0.002 0.000 0.890 181 D CB 1.233 42.033 40.800 -0.000 0.000 1.201 181 D HN 0.373 nan 8.370 nan 0.000 0.432 182 C N 4.695 123.993 119.300 -0.002 0.000 2.638 182 C HA 0.133 4.594 4.460 0.003 0.000 0.410 182 C C -1.534 173.458 174.990 0.003 0.000 1.404 182 C CA -1.301 57.716 59.018 -0.002 0.000 1.651 182 C CB -0.787 26.948 27.740 -0.007 0.000 2.495 182 C HN 0.432 nan 8.230 nan 0.000 0.606 183 P HA 0.251 nan 4.420 nan 0.000 0.270 183 P C -2.718 174.594 177.300 0.019 0.000 1.223 183 P CA -0.803 62.307 63.100 0.016 0.000 0.785 183 P CB 0.037 31.750 31.700 0.022 0.000 0.923 184 P HA 0.211 nan 4.420 nan 0.000 0.293 184 P C -0.427 176.914 177.300 0.069 0.000 1.300 184 P CA -0.297 62.826 63.100 0.038 0.000 0.792 184 P CB 0.754 32.476 31.700 0.035 0.000 0.925 185 L N 3.059 124.335 121.223 0.088 0.000 2.349 185 L HA 0.351 4.693 4.340 0.003 0.000 0.275 185 L C 0.838 177.892 176.870 0.306 0.000 1.115 185 L CA 0.370 55.330 54.840 0.199 0.000 0.820 185 L CB 0.283 42.401 42.059 0.098 0.000 1.135 185 L HN 0.590 nan 8.230 nan 0.000 0.445 186 E N 2.759 123.154 120.200 0.326 0.000 2.275 186 E HA 0.269 4.620 4.350 0.003 0.000 0.270 186 E C -1.491 175.009 176.600 -0.166 0.000 0.882 186 E CA -0.894 55.579 56.400 0.121 0.000 0.758 186 E CB 2.325 32.036 29.700 0.019 0.000 1.195 186 E HN 0.352 nan 8.360 nan 0.000 0.419 187 L N 5.845 126.776 121.223 -0.487 0.000 2.363 187 L HA 0.327 4.669 4.340 0.003 0.000 0.286 187 L C -1.232 175.303 176.870 -0.557 0.000 1.106 187 L CA -0.068 54.214 54.840 -0.930 0.000 0.859 187 L CB 0.159 41.666 42.059 -0.920 0.000 1.223 187 L HN 0.495 nan 8.230 nan 0.000 0.446 188 I N 4.224 124.420 120.570 -0.623 0.000 2.342 188 I HA 0.305 4.477 4.170 0.003 0.000 0.291 188 I C 0.581 176.437 176.117 -0.435 0.000 1.010 188 I CA 0.297 61.297 61.300 -0.500 0.000 1.308 188 I CB 1.448 39.096 38.000 -0.587 0.000 1.400 188 I HN 0.523 nan 8.210 nan 0.000 0.488 189 T N 5.481 119.891 114.554 -0.240 0.000 2.829 189 T HA 0.717 5.069 4.350 0.003 0.000 0.282 189 T C -0.119 174.534 174.700 -0.078 0.000 0.990 189 T CA -0.577 61.432 62.100 -0.152 0.000 1.028 189 T CB 1.022 69.820 68.868 -0.117 0.000 0.951 189 T HN 0.751 nan 8.240 nan 0.000 0.460 190 S N 0.953 116.626 115.700 -0.045 0.000 2.656 190 S HA 0.629 5.101 4.470 0.003 0.000 0.273 190 S C -1.109 173.458 174.600 -0.054 0.000 1.168 190 S CA -0.899 57.289 58.200 -0.019 0.000 0.817 190 S CB 0.868 64.089 63.200 0.035 0.000 1.146 190 S HN 0.376 nan 8.310 nan 0.000 0.475 191 V N 2.054 121.934 119.914 -0.057 0.000 2.385 191 V HA 0.333 4.455 4.120 0.003 0.000 0.269 191 V C 0.019 176.027 176.094 -0.143 0.000 1.043 191 V CA -0.542 61.702 62.300 -0.093 0.000 0.906 191 V CB 0.367 32.141 31.823 -0.082 0.000 0.995 191 V HN 0.732 nan 8.190 nan 0.000 0.467 192 I N 5.947 126.400 120.570 -0.196 0.000 2.671 192 I HA 0.041 4.212 4.170 0.003 0.000 0.285 192 I C 0.697 176.678 176.117 -0.225 0.000 1.148 192 I CA 0.553 61.664 61.300 -0.315 0.000 1.386 192 I CB 0.015 37.711 38.000 -0.506 0.000 1.406 192 I HN 0.667 nan 8.210 nan 0.000 0.540 193 Q N 4.229 123.882 119.800 -0.245 0.000 2.215 193 Q HA 0.241 4.582 4.340 0.003 0.000 0.256 193 Q C -0.498 175.410 176.000 -0.154 0.000 0.972 193 Q CA -0.939 54.708 55.803 -0.260 0.000 0.889 193 Q CB 1.546 30.064 28.738 -0.365 0.000 1.281 193 Q HN 0.497 nan 8.270 nan 0.000 0.456 194 D N -0.553 119.772 120.400 -0.126 0.000 2.455 194 D HA 0.194 4.835 4.640 0.003 0.000 0.241 194 D C 0.720 177.005 176.300 -0.024 0.000 1.138 194 D CA 1.835 55.812 54.000 -0.038 0.000 0.877 194 D CB 0.247 41.032 40.800 -0.026 0.000 1.187 194 D HN 0.673 nan 8.370 nan 0.000 0.451 195 G N 2.632 111.467 108.800 0.058 0.000 2.157 195 G HA2 -0.240 3.721 3.960 0.003 0.000 0.248 195 G HA3 -0.240 3.721 3.960 0.003 0.000 0.248 195 G C 0.098 175.058 174.900 0.101 0.000 0.979 195 G CA 0.114 45.259 45.100 0.074 0.000 0.650 195 G HN 0.625 nan 8.290 nan 0.000 0.529 196 D N 0.214 120.689 120.400 0.125 0.000 2.358 196 D HA 0.595 5.237 4.640 0.003 0.000 0.244 196 D C 1.073 177.563 176.300 0.316 0.000 1.163 196 D CA -0.041 54.041 54.000 0.136 0.000 0.945 196 D CB 0.364 41.155 40.800 -0.015 0.000 1.152 196 D HN 0.010 nan 8.370 nan 0.000 0.451 197 M N 0.882 120.648 119.600 0.276 0.000 2.264 197 M HA 0.293 4.775 4.480 0.003 0.000 0.352 197 M C -0.410 176.117 176.300 0.378 0.000 1.173 197 M CA -0.827 54.651 55.300 0.297 0.000 1.075 197 M CB 1.369 34.102 32.600 0.221 0.000 1.621 197 M HN 0.012 nan 8.290 nan 0.000 0.457 198 V N 2.031 122.093 119.914 0.246 0.000 2.686 198 V HA 0.068 4.189 4.120 0.003 0.000 0.295 198 V C 0.134 176.343 176.094 0.193 0.000 1.057 198 V CA -0.707 61.694 62.300 0.169 0.000 1.012 198 V CB 1.600 33.401 31.823 -0.038 0.000 1.006 198 V HN 0.907 nan 8.190 nan 0.000 0.477 199 D N 2.240 122.780 120.400 0.235 0.000 2.493 199 D HA -0.004 4.638 4.640 0.003 0.000 0.240 199 D C 0.940 177.273 176.300 0.056 0.000 1.142 199 D CA 0.773 54.879 54.000 0.176 0.000 0.872 199 D CB 1.164 42.071 40.800 0.178 0.000 1.173 199 D HN 0.737 nan 8.370 nan 0.000 0.467 200 T N 0.193 114.697 114.554 -0.084 0.000 3.044 200 T HA 0.437 4.788 4.350 0.003 0.000 0.260 200 T C 1.326 175.850 174.700 -0.294 0.000 1.019 200 T CA 0.216 62.097 62.100 -0.366 0.000 0.921 200 T CB 0.304 68.420 68.868 -1.253 0.000 1.053 200 T HN 0.848 nan 8.240 nan 0.000 0.533 201 G N 0.828 109.519 108.800 -0.181 0.000 2.485 201 G HA2 -0.081 3.880 3.960 0.003 0.000 0.181 201 G HA3 -0.081 3.880 3.960 0.003 0.000 0.181 201 G C 0.196 174.841 174.900 -0.424 0.000 0.999 201 G CA -0.288 44.629 45.100 -0.305 0.000 0.721 201 G HN 0.442 nan 8.290 nan 0.000 0.486 202 F N 2.158 122.107 119.950 -0.002 0.000 2.647 202 F HA 0.522 5.050 4.527 0.001 0.000 0.300 202 F C 1.555 177.507 175.800 0.253 0.000 1.106 202 F CA 0.591 58.657 58.000 0.111 0.000 1.313 202 F CB 0.859 39.892 39.000 0.054 0.000 1.007 202 F HN 0.720 nan 8.300 nan 0.000 0.536 203 G N 0.946 109.903 108.800 0.262 0.000 2.795 203 G HA2 0.093 4.054 3.960 0.003 0.000 0.664 203 G HA3 0.093 4.054 3.960 0.003 0.000 0.664 203 G C -0.535 174.512 174.900 0.246 0.000 1.381 203 G CA -0.710 44.514 45.100 0.207 0.000 0.853 203 G HN 0.623 nan 8.290 nan 0.000 0.545 204 A N 0.712 123.655 122.820 0.204 0.000 2.478 204 A HA 0.795 5.116 4.320 0.003 0.000 0.327 204 A C 0.497 178.200 177.584 0.198 0.000 1.431 204 A CA 0.879 53.048 52.037 0.219 0.000 1.014 204 A CB -0.571 18.586 19.000 0.262 0.000 1.143 204 A HN 1.939 nan 8.150 nan 0.000 0.532 205 M N 0.268 119.822 119.600 -0.077 0.000 2.721 205 M HA 0.421 4.903 4.480 0.003 0.000 0.271 205 M C -0.806 175.231 176.300 -0.438 0.000 1.259 205 M CA -0.708 54.490 55.300 -0.170 0.000 0.835 205 M CB 1.757 34.188 32.600 -0.282 0.000 1.689 205 M HN 0.375 nan 8.290 nan 0.000 0.470 206 N N 0.201 118.783 118.700 -0.198 0.000 2.918 206 N HA 0.345 5.086 4.740 0.003 0.000 0.247 206 N C -0.381 175.037 175.510 -0.153 0.000 1.117 206 N CA -0.417 52.547 53.050 -0.143 0.000 1.005 206 N CB 0.196 38.701 38.487 0.030 0.000 1.297 206 N HN 0.585 nan 8.380 nan 0.000 0.513 207 F N 1.893 121.880 119.950 0.062 0.000 2.154 207 F HA -0.240 4.289 4.527 0.003 0.000 0.301 207 F C 2.541 178.359 175.800 0.030 0.000 1.087 207 F CA 1.143 59.166 58.000 0.039 0.000 1.274 207 F CB -0.298 38.708 39.000 0.011 0.000 1.009 207 F HN 0.535 nan 8.300 nan 0.000 0.485 208 A N -0.074 122.857 122.820 0.185 0.000 1.917 208 A HA -0.218 4.104 4.320 0.003 0.000 0.219 208 A C 1.929 179.560 177.584 0.079 0.000 1.182 208 A CA 2.309 54.414 52.037 0.113 0.000 0.633 208 A CB -0.668 18.381 19.000 0.081 0.000 0.819 208 A HN 0.347 nan 8.150 nan 0.000 0.448 209 D N -0.915 119.523 120.400 0.064 0.000 2.301 209 D HA 0.040 4.682 4.640 0.003 0.000 0.206 209 D C 1.441 177.771 176.300 0.049 0.000 0.979 209 D CA 0.407 54.437 54.000 0.050 0.000 0.874 209 D CB 0.074 40.901 40.800 0.046 0.000 0.968 209 D HN 0.259 nan 8.370 nan 0.000 0.510 210 L N 0.411 121.664 121.223 0.050 0.000 2.529 210 L HA 0.151 4.492 4.340 0.003 0.000 0.223 210 L C 0.324 177.236 176.870 0.070 0.000 1.113 210 L CA 0.881 55.750 54.840 0.048 0.000 0.861 210 L CB -0.234 41.840 42.059 0.025 0.000 1.012 210 L HN -0.072 nan 8.230 nan 0.000 0.461 211 Q N -0.600 119.260 119.800 0.099 0.000 2.674 211 Q HA 0.210 4.552 4.340 0.003 0.000 0.249 211 Q C 0.807 176.847 176.000 0.067 0.000 1.011 211 Q CA -0.179 55.681 55.803 0.096 0.000 0.734 211 Q CB 1.079 29.908 28.738 0.151 0.000 1.201 211 Q HN 0.066 nan 8.270 nan 0.000 0.498 212 T N 0.942 115.521 114.554 0.043 0.000 2.737 212 T HA -0.199 4.153 4.350 0.003 0.000 0.269 212 T C 1.487 176.199 174.700 0.020 0.000 1.040 212 T CA 2.148 64.265 62.100 0.028 0.000 1.142 212 T CB -0.152 68.726 68.868 0.017 0.000 0.861 212 T HN 0.661 nan 8.240 nan 0.000 0.456 213 N N 1.377 120.084 118.700 0.011 0.000 2.609 213 N HA -0.084 4.658 4.740 0.003 0.000 0.190 213 N C 0.507 176.019 175.510 0.004 0.000 1.157 213 N CA 0.515 53.562 53.050 -0.004 0.000 0.918 213 N CB -0.614 37.858 38.487 -0.025 0.000 0.978 213 N HN 0.361 nan 8.380 nan 0.000 0.448 214 K N -1.758 118.658 120.400 0.027 0.000 3.104 214 K HA -0.177 4.144 4.320 0.003 0.000 0.285 214 K C -0.509 176.139 176.600 0.080 0.000 1.136 214 K CA 1.078 57.398 56.287 0.054 0.000 0.842 214 K CB -1.941 30.591 32.500 0.055 0.000 1.217 214 K HN 0.370 nan 8.250 nan 0.000 0.467 215 S N -0.515 115.172 115.700 -0.022 0.000 3.021 215 S HA 0.103 4.575 4.470 0.003 0.000 0.252 215 S C -0.049 174.410 174.600 -0.236 0.000 0.996 215 S CA -0.529 57.554 58.200 -0.196 0.000 1.084 215 S CB 0.679 63.713 63.200 -0.276 0.000 1.021 215 S HN 0.170 nan 8.310 nan 0.000 0.566 216 D N 1.906 122.223 120.400 -0.138 0.000 2.346 216 D HA 0.143 4.784 4.640 0.003 0.000 0.206 216 D C 0.660 176.784 176.300 -0.293 0.000 1.001 216 D CA 0.647 54.556 54.000 -0.151 0.000 0.871 216 D CB 0.888 41.652 40.800 -0.060 0.000 0.943 216 D HN 0.441 nan 8.370 nan 0.000 0.518 217 V N -3.960 115.743 119.914 -0.352 0.000 3.147 217 V HA 0.569 4.690 4.120 0.003 0.000 0.306 217 V C -2.904 173.017 176.094 -0.287 0.000 1.209 217 V CA -2.560 59.368 62.300 -0.621 0.000 1.023 217 V CB 1.792 32.926 31.823 -1.150 0.000 1.059 217 V HN -0.344 nan 8.190 nan 0.000 0.435 218 P HA 0.011 nan 4.420 nan 0.000 0.269 218 P C 0.997 178.195 177.300 -0.171 0.000 1.185 218 P CA 0.083 63.099 63.100 -0.140 0.000 0.769 218 P CB 0.314 31.962 31.700 -0.087 0.000 0.809 219 L N 2.429 123.477 121.223 -0.293 0.000 2.043 219 L HA -0.192 4.149 4.340 0.003 0.000 0.212 219 L C 1.762 178.611 176.870 -0.035 0.000 1.075 219 L CA 2.285 56.989 54.840 -0.226 0.000 0.752 219 L CB -1.820 40.107 42.059 -0.220 0.000 0.891 219 L HN 0.514 nan 8.230 nan 0.000 0.432 220 D N -0.416 119.982 120.400 -0.003 0.000 2.384 220 D HA -0.184 4.457 4.640 0.003 0.000 0.222 220 D C 1.602 177.976 176.300 0.124 0.000 0.976 220 D CA 1.058 55.151 54.000 0.156 0.000 0.915 220 D CB -0.338 40.633 40.800 0.285 0.000 0.896 220 D HN 0.651 nan 8.370 nan 0.000 0.523 221 I N -3.262 117.323 120.570 0.025 0.000 4.779 221 I HA 0.212 4.383 4.170 0.003 0.000 0.339 221 I C 1.605 177.699 176.117 -0.037 0.000 1.293 221 I CA -0.361 60.942 61.300 0.006 0.000 1.324 221 I CB 0.017 37.957 38.000 -0.101 0.000 1.424 221 I HN 0.054 nan 8.210 nan 0.000 0.489 222 C N 1.081 120.322 119.300 -0.097 0.000 2.466 222 C HA 0.351 4.813 4.460 0.003 0.000 0.283 222 C C 1.887 176.922 174.990 0.076 0.000 1.472 222 C CA 0.583 59.571 59.018 -0.050 0.000 1.765 222 C CB -1.902 25.816 27.740 -0.036 0.000 1.724 222 C HN 0.662 nan 8.230 nan 0.000 0.560 223 G N -0.037 108.814 108.800 0.085 0.000 3.735 223 G HA2 0.466 4.427 3.960 0.003 0.000 0.283 223 G HA3 0.466 4.427 3.960 0.003 0.000 0.283 223 G C 0.265 175.223 174.900 0.097 0.000 1.007 223 G CA 0.812 45.964 45.100 0.086 0.000 0.821 223 G HN 0.709 nan 8.290 nan 0.000 0.505 224 T N -3.058 111.579 114.554 0.139 0.000 2.598 224 T HA 0.662 5.013 4.350 0.003 0.000 0.289 224 T C -1.032 173.747 174.700 0.131 0.000 1.056 224 T CA -0.647 61.519 62.100 0.109 0.000 1.088 224 T CB 2.026 70.954 68.868 0.100 0.000 1.519 224 T HN 0.053 nan 8.240 nan 0.000 0.488 225 V N 0.019 119.959 119.914 0.043 0.000 2.715 225 V HA 0.567 4.689 4.120 0.003 0.000 0.310 225 V C -0.474 175.643 176.094 0.037 0.000 1.054 225 V CA -0.814 61.454 62.300 -0.054 0.000 0.928 225 V CB 1.626 33.246 31.823 -0.338 0.000 1.007 225 V HN 1.150 nan 8.190 nan 0.000 0.437 226 C N 4.437 123.785 119.300 0.080 0.000 2.281 226 C HA 0.536 4.997 4.460 0.003 0.000 0.323 226 C C 0.348 175.435 174.990 0.161 0.000 1.270 226 C CA -1.030 58.108 59.018 0.200 0.000 1.559 226 C CB -0.014 27.934 27.740 0.346 0.000 2.239 226 C HN 0.856 nan 8.230 nan 0.000 0.488 227 K N 2.002 122.523 120.400 0.202 0.000 2.166 227 K HA 0.563 4.885 4.320 0.003 0.000 0.245 227 K C -1.296 175.523 176.600 0.366 0.000 0.967 227 K CA -0.556 55.853 56.287 0.202 0.000 0.863 227 K CB 1.799 34.309 32.500 0.017 0.000 1.107 227 K HN 0.603 nan 8.250 nan 0.000 0.436 228 Y N 1.508 121.887 120.300 0.132 0.000 2.425 228 Y HA 0.306 4.858 4.550 0.003 0.000 0.344 228 Y C -2.644 173.252 175.900 -0.008 0.000 0.969 228 Y CA -2.679 55.500 58.100 0.132 0.000 1.052 228 Y CB 1.654 40.194 38.460 0.134 0.000 1.215 228 Y HN 0.403 nan 8.280 nan 0.000 0.451 229 P HA -0.057 nan 4.420 nan 0.000 0.261 229 P C -0.568 176.280 177.300 -0.754 0.000 1.173 229 P CA 0.570 63.170 63.100 -0.833 0.000 0.760 229 P CB 0.486 31.331 31.700 -1.425 0.000 0.783 230 D N 2.804 122.932 120.400 -0.453 0.000 2.845 230 D HA 0.034 4.676 4.640 0.003 0.000 0.235 230 D C 0.750 176.922 176.300 -0.213 0.000 1.158 230 D CA -0.182 53.677 54.000 -0.233 0.000 0.990 230 D CB -0.600 40.113 40.800 -0.145 0.000 1.094 230 D HN 0.294 nan 8.370 nan 0.000 0.486 231 Y N 0.432 120.612 120.300 -0.200 0.000 2.040 231 Y HA -0.311 4.241 4.550 0.002 0.000 0.275 231 Y C 2.396 178.226 175.900 -0.118 0.000 1.171 231 Y CA 1.147 59.110 58.100 -0.227 0.000 1.123 231 Y CB -0.344 37.928 38.460 -0.313 0.000 0.963 231 Y HN 0.214 nan 8.280 nan 0.000 0.493 232 L N -0.219 121.076 121.223 0.120 0.000 2.081 232 L HA -0.322 4.019 4.340 0.003 0.000 0.212 232 L C 2.615 179.511 176.870 0.043 0.000 1.080 232 L CA 2.030 56.915 54.840 0.075 0.000 0.754 232 L CB -0.665 41.439 42.059 0.074 0.000 0.893 232 L HN 0.362 nan 8.230 nan 0.000 0.433 233 Q N 0.100 119.909 119.800 0.015 0.000 2.083 233 Q HA -0.178 4.163 4.340 0.003 0.000 0.198 233 Q C 2.311 178.316 176.000 0.008 0.000 0.969 233 Q CA 1.404 57.208 55.803 0.002 0.000 0.838 233 Q CB -0.069 28.653 28.738 -0.026 0.000 0.900 233 Q HN 0.420 nan 8.270 nan 0.000 0.436 234 M N 0.041 119.636 119.600 -0.009 0.000 2.117 234 M HA -0.091 4.391 4.480 0.003 0.000 0.262 234 M C 2.346 178.677 176.300 0.052 0.000 1.065 234 M CA 1.382 56.685 55.300 0.006 0.000 1.114 234 M CB -0.387 32.190 32.600 -0.038 0.000 1.361 234 M HN 0.417 nan 8.290 nan 0.000 0.408 235 A N 0.457 123.315 122.820 0.063 0.000 1.978 235 A HA -0.029 4.293 4.320 0.003 0.000 0.220 235 A C 2.169 179.801 177.584 0.081 0.000 1.170 235 A CA 1.866 53.957 52.037 0.090 0.000 0.636 235 A CB -0.701 18.355 19.000 0.093 0.000 0.810 235 A HN 0.526 nan 8.150 nan 0.000 0.448 236 A N -0.747 122.111 122.820 0.064 0.000 2.275 236 A HA 0.253 4.574 4.320 0.003 0.000 0.212 236 A C 0.355 177.977 177.584 0.063 0.000 1.201 236 A CA 0.123 52.195 52.037 0.057 0.000 0.843 236 A CB -0.505 18.521 19.000 0.043 0.000 0.873 236 A HN 0.425 nan 8.150 nan 0.000 0.492 237 D N 1.454 121.902 120.400 0.079 0.000 2.520 237 D HA 0.068 4.710 4.640 0.003 0.000 0.243 237 D C -0.644 175.721 176.300 0.109 0.000 1.160 237 D CA -0.751 53.309 54.000 0.100 0.000 0.877 237 D CB 1.052 41.929 40.800 0.129 0.000 1.150 237 D HN 0.181 nan 8.370 nan 0.000 0.494 238 P HA -0.226 nan 4.420 nan 0.000 0.216 238 P C 0.652 177.924 177.300 -0.046 0.000 1.153 238 P CA 1.608 64.679 63.100 -0.049 0.000 0.858 238 P CB 0.067 31.653 31.700 -0.190 0.000 0.789 239 Y N -0.950 119.460 120.300 0.183 0.000 2.396 239 Y HA 0.357 4.908 4.550 0.002 0.000 0.292 239 Y C 1.824 177.905 175.900 0.302 0.000 1.128 239 Y CA 0.811 59.065 58.100 0.256 0.000 1.194 239 Y CB -0.392 38.179 38.460 0.186 0.000 1.124 239 Y HN 0.038 nan 8.280 nan 0.000 0.543 240 G N 0.778 109.811 108.800 0.387 0.000 2.356 240 G HA2 -0.203 3.759 3.960 0.003 0.000 0.233 240 G HA3 -0.203 3.759 3.960 0.003 0.000 0.233 240 G C -0.060 175.041 174.900 0.334 0.000 1.105 240 G CA 0.321 45.611 45.100 0.317 0.000 0.861 240 G HN 0.331 nan 8.290 nan 0.000 0.493 241 D N -0.551 120.016 120.400 0.278 0.000 2.346 241 D HA 0.061 4.702 4.640 0.003 0.000 0.206 241 D C 2.446 178.762 176.300 0.027 0.000 1.001 241 D CA -0.045 54.091 54.000 0.226 0.000 0.871 241 D CB 0.115 41.062 40.800 0.244 0.000 0.943 241 D HN 0.316 nan 8.370 nan 0.000 0.518 242 R N 0.612 121.130 120.500 0.031 0.000 2.070 242 R HA 0.027 4.369 4.340 0.003 0.000 0.233 242 R C 1.134 177.355 176.300 -0.131 0.000 1.137 242 R CA 0.650 56.726 56.100 -0.040 0.000 0.945 242 R CB -0.421 29.876 30.300 -0.006 0.000 0.845 242 R HN 0.279 nan 8.270 nan 0.000 0.430 243 L N -2.633 118.533 121.223 -0.095 0.000 2.639 243 L HA 0.375 4.717 4.340 0.003 0.000 0.264 243 L C -0.759 176.167 176.870 0.093 0.000 0.948 243 L CA -0.831 53.946 54.840 -0.105 0.000 0.912 243 L CB 1.468 43.545 42.059 0.032 0.000 1.294 243 L HN -0.065 nan 8.230 nan 0.000 0.412 244 F N 2.084 122.186 119.950 0.253 0.000 2.647 244 F HA 0.682 5.210 4.527 0.003 0.000 0.300 244 F C -0.470 175.541 175.800 0.351 0.000 1.106 244 F CA -1.440 56.714 58.000 0.257 0.000 1.313 244 F CB -0.215 38.913 39.000 0.214 0.000 1.007 244 F HN 0.397 nan 8.300 nan 0.000 0.536 245 F N 1.272 121.443 119.950 0.369 0.000 2.725 245 F HA 0.525 5.053 4.527 0.003 0.000 0.311 245 F C -2.097 173.846 175.800 0.239 0.000 1.121 245 F CA -1.759 56.377 58.000 0.227 0.000 0.978 245 F CB 1.159 40.310 39.000 0.251 0.000 1.274 245 F HN 0.079 nan 8.300 nan 0.000 0.440 246 Y N 4.395 124.382 120.300 -0.522 0.000 2.522 246 Y HA 0.694 5.246 4.550 0.002 0.000 0.326 246 Y C -2.616 172.991 175.900 -0.488 0.000 1.198 246 Y CA -1.855 56.060 58.100 -0.308 0.000 1.112 246 Y CB 0.753 39.210 38.460 -0.004 0.000 1.342 246 Y HN 0.625 nan 8.280 nan 0.000 0.460 247 L N 5.509 126.603 121.223 -0.214 0.000 2.406 247 L HA 0.730 5.071 4.340 0.003 0.000 0.272 247 L C -0.798 176.065 176.870 -0.012 0.000 0.980 247 L CA -1.013 53.658 54.840 -0.281 0.000 0.831 247 L CB 2.226 44.014 42.059 -0.452 0.000 1.253 247 L HN 0.877 nan 8.230 nan 0.000 0.406 248 R N 1.853 122.378 120.500 0.041 0.000 2.670 248 R HA 0.811 5.153 4.340 0.003 0.000 0.289 248 R C -1.120 175.198 176.300 0.030 0.000 0.965 248 R CA -1.036 55.119 56.100 0.091 0.000 0.899 248 R CB 2.369 32.747 30.300 0.131 0.000 1.173 248 R HN 0.384 nan 8.270 nan 0.000 0.456 249 K N 1.866 122.298 120.400 0.053 0.000 2.731 249 K HA 0.125 4.447 4.320 0.003 0.000 0.257 249 K C -1.639 175.010 176.600 0.081 0.000 1.032 249 K CA -0.397 55.914 56.287 0.040 0.000 0.983 249 K CB 1.465 33.963 32.500 -0.003 0.000 1.248 249 K HN 0.864 nan 8.250 nan 0.000 0.484 250 E N 3.482 123.741 120.200 0.097 0.000 2.266 250 E HA 0.379 4.731 4.350 0.003 0.000 0.268 250 E C -1.148 175.509 176.600 0.095 0.000 0.879 250 E CA -1.034 55.436 56.400 0.117 0.000 0.762 250 E CB 2.357 32.152 29.700 0.158 0.000 1.199 250 E HN 0.475 nan 8.360 nan 0.000 0.422 251 Q N 2.912 122.772 119.800 0.100 0.000 2.462 251 Q HA 0.688 5.029 4.340 0.003 0.000 0.285 251 Q C -1.113 174.952 176.000 0.109 0.000 1.035 251 Q CA -1.118 54.742 55.803 0.096 0.000 0.799 251 Q CB 2.811 31.605 28.738 0.092 0.000 1.452 251 Q HN 0.677 nan 8.270 nan 0.000 0.404 252 M N 1.943 121.615 119.600 0.120 0.000 2.724 252 M HA 0.529 5.010 4.480 0.003 0.000 0.280 252 M C -2.215 174.193 176.300 0.180 0.000 1.090 252 M CA -0.580 54.788 55.300 0.114 0.000 0.838 252 M CB 1.994 34.617 32.600 0.038 0.000 1.729 252 M HN 0.902 nan 8.290 nan 0.000 0.530 253 F N 1.419 121.363 119.950 -0.011 0.000 2.650 253 F HA 0.971 5.499 4.527 0.001 0.000 0.320 253 F C -1.132 174.641 175.800 -0.046 0.000 1.091 253 F CA -0.758 57.223 58.000 -0.031 0.000 0.962 253 F CB 1.309 40.288 39.000 -0.036 0.000 1.363 253 F HN 0.661 nan 8.300 nan 0.000 0.482 254 A N 2.468 125.307 122.820 0.031 0.000 2.343 254 A HA 0.510 4.831 4.320 0.003 0.000 0.305 254 A C 0.913 178.302 177.584 -0.324 0.000 1.308 254 A CA -0.471 51.460 52.037 -0.177 0.000 0.949 254 A CB 0.432 19.335 19.000 -0.161 0.000 1.148 254 A HN 0.918 nan 8.150 nan 0.000 0.545 255 R N 1.828 121.976 120.500 -0.586 0.000 2.051 255 R HA 0.074 4.415 4.340 0.003 0.000 0.225 255 R C -0.023 175.806 176.300 -0.785 0.000 1.155 255 R CA 1.678 57.450 56.100 -0.545 0.000 0.945 255 R CB -0.235 29.772 30.300 -0.488 0.000 0.840 255 R HN 0.855 nan 8.270 nan 0.000 0.432 256 H N -2.598 116.078 119.070 -0.657 0.000 2.834 256 H HA 0.420 4.978 4.556 0.003 0.000 0.369 256 H C -1.292 173.381 175.328 -1.092 0.000 1.174 256 H CA -0.707 54.896 56.048 -0.742 0.000 1.165 256 H CB 1.591 30.983 29.762 -0.616 0.000 1.820 256 H HN -0.034 nan 8.280 nan 0.000 0.558 257 F N 1.884 121.732 119.950 -0.170 0.000 2.449 257 F HA 0.406 4.933 4.527 0.001 0.000 0.342 257 F C -0.601 175.298 175.800 0.165 0.000 1.127 257 F CA -0.482 57.471 58.000 -0.078 0.000 0.975 257 F CB 0.860 39.859 39.000 -0.001 0.000 1.146 257 F HN 0.277 nan 8.300 nan 0.000 0.444 258 F N 1.181 121.314 119.950 0.305 0.000 2.572 258 F HA 0.434 4.963 4.527 0.002 0.000 0.342 258 F C -0.135 175.841 175.800 0.294 0.000 1.064 258 F CA -1.213 56.926 58.000 0.232 0.000 1.008 258 F CB 2.008 41.100 39.000 0.152 0.000 1.303 258 F HN 0.388 nan 8.300 nan 0.000 0.492 259 N N 0.590 119.556 118.700 0.443 0.000 2.295 259 N HA 0.279 5.021 4.740 0.003 0.000 0.293 259 N C -1.153 174.489 175.510 0.220 0.000 1.040 259 N CA -0.804 52.434 53.050 0.314 0.000 0.840 259 N CB 1.354 40.020 38.487 0.298 0.000 1.468 259 N HN 0.466 nan 8.380 nan 0.000 0.478 260 R N 1.209 121.790 120.500 0.135 0.000 2.577 260 R HA 0.485 4.827 4.340 0.003 0.000 0.269 260 R C -0.376 175.932 176.300 0.014 0.000 1.084 260 R CA -0.381 55.763 56.100 0.073 0.000 1.163 260 R CB 0.984 31.306 30.300 0.037 0.000 1.100 260 R HN 0.559 nan 8.270 nan 0.000 0.547 261 A N -0.138 122.657 122.820 -0.041 0.000 2.324 261 A HA 0.755 5.077 4.320 0.003 0.000 0.330 261 A C -0.058 177.448 177.584 -0.131 0.000 1.165 261 A CA 0.051 51.989 52.037 -0.166 0.000 0.813 261 A CB 1.525 20.422 19.000 -0.172 0.000 1.197 261 A HN 0.804 nan 8.150 nan 0.000 0.484 262 G N 0.118 108.823 108.800 -0.159 0.000 2.375 262 G HA2 0.467 4.429 3.960 0.003 0.000 0.663 262 G HA3 0.467 4.429 3.960 0.003 0.000 0.663 262 G C -0.214 174.626 174.900 -0.099 0.000 1.391 262 G CA -0.169 44.866 45.100 -0.109 0.000 0.949 262 G HN 2.049 nan 8.290 nan 0.000 0.646 263 T N -1.653 112.855 114.554 -0.077 0.000 2.940 263 T HA 0.405 4.756 4.350 0.003 0.000 0.309 263 T C 0.683 175.350 174.700 -0.056 0.000 1.056 263 T CA 0.069 62.130 62.100 -0.065 0.000 1.137 263 T CB 1.329 70.167 68.868 -0.049 0.000 0.976 263 T HN 1.467 nan 8.240 nan 0.000 0.547 264 V N 4.978 124.859 119.914 -0.054 0.000 2.326 264 V HA 0.281 4.402 4.120 0.003 0.000 0.249 264 V C 1.984 178.057 176.094 -0.035 0.000 1.114 264 V CA 0.256 62.527 62.300 -0.049 0.000 1.028 264 V CB -0.366 31.426 31.823 -0.052 0.000 1.170 264 V HN 1.226 nan 8.190 nan 0.000 0.494 265 G N 4.588 113.369 108.800 -0.030 0.000 2.596 265 G HA2 -0.221 3.740 3.960 0.003 0.000 0.223 265 G HA3 -0.221 3.740 3.960 0.003 0.000 0.223 265 G C 0.599 175.488 174.900 -0.019 0.000 1.120 265 G CA 0.634 45.721 45.100 -0.022 0.000 0.752 265 G HN 0.706 nan 8.290 nan 0.000 0.596 266 E N 0.706 120.893 120.200 -0.021 0.000 2.675 266 E HA 0.280 4.632 4.350 0.003 0.000 0.236 266 E C -2.499 174.091 176.600 -0.017 0.000 1.059 266 E CA -1.657 54.734 56.400 -0.016 0.000 0.775 266 E CB 1.788 31.480 29.700 -0.014 0.000 1.356 266 E HN 0.161 nan 8.360 nan 0.000 0.403 267 P HA -0.084 nan 4.420 nan 0.000 0.270 267 P C -0.399 176.899 177.300 -0.004 0.000 1.221 267 P CA -0.266 62.827 63.100 -0.011 0.000 0.788 267 P CB 0.535 32.231 31.700 -0.006 0.000 0.904 268 V N 3.512 123.428 119.914 0.003 0.000 2.521 268 V HA 0.089 4.211 4.120 0.003 0.000 0.286 268 V C -1.759 174.341 176.094 0.012 0.000 1.034 268 V CA -1.008 61.299 62.300 0.012 0.000 1.045 268 V CB -0.240 31.598 31.823 0.025 0.000 0.974 268 V HN 0.610 nan 8.190 nan 0.000 0.480 269 P HA 0.071 nan 4.420 nan 0.000 0.267 269 P C 0.593 177.899 177.300 0.010 0.000 1.200 269 P CA -0.120 62.985 63.100 0.008 0.000 0.772 269 P CB 0.515 32.220 31.700 0.008 0.000 0.855 270 D N 1.506 121.911 120.400 0.007 0.000 2.097 270 D HA -0.176 4.465 4.640 0.003 0.000 0.195 270 D C 1.218 177.522 176.300 0.007 0.000 0.989 270 D CA 1.408 55.412 54.000 0.007 0.000 0.827 270 D CB -0.365 40.438 40.800 0.005 0.000 0.966 270 D HN 0.599 nan 8.370 nan 0.000 0.456 271 D N 0.843 121.247 120.400 0.006 0.000 2.311 271 D HA -0.168 4.473 4.640 0.003 0.000 0.212 271 D C 2.025 178.329 176.300 0.007 0.000 0.972 271 D CA 0.452 54.456 54.000 0.006 0.000 0.887 271 D CB -0.351 40.452 40.800 0.005 0.000 0.915 271 D HN 0.295 nan 8.370 nan 0.000 0.497 272 L N 0.160 121.389 121.223 0.010 0.000 2.567 272 L HA 0.243 4.584 4.340 0.003 0.000 0.225 272 L C 0.837 177.717 176.870 0.016 0.000 1.119 272 L CA -0.004 54.844 54.840 0.014 0.000 0.871 272 L CB 0.148 42.218 42.059 0.019 0.000 1.036 272 L HN 0.160 nan 8.230 nan 0.000 0.459 273 L N -4.051 117.180 121.223 0.014 0.000 2.479 273 L HA 0.580 4.922 4.340 0.003 0.000 0.255 273 L C -1.057 175.816 176.870 0.006 0.000 1.026 273 L CA -0.895 53.953 54.840 0.013 0.000 0.842 273 L CB 2.252 44.324 42.059 0.022 0.000 1.444 273 L HN -0.474 nan 8.230 nan 0.000 0.409 274 V N 2.676 122.591 119.914 0.001 0.000 2.304 274 V HA 0.288 4.409 4.120 0.003 0.000 0.269 274 V C 0.238 176.325 176.094 -0.012 0.000 1.036 274 V CA -0.775 61.521 62.300 -0.006 0.000 0.840 274 V CB 0.678 32.496 31.823 -0.009 0.000 1.036 274 V HN 0.658 nan 8.190 nan 0.000 0.466 275 K N 3.238 123.633 120.400 -0.010 0.000 2.586 275 K HA 0.027 4.349 4.320 0.003 0.000 0.280 275 K C 0.701 177.284 176.600 -0.030 0.000 0.972 275 K CA 0.437 56.715 56.287 -0.014 0.000 1.040 275 K CB 0.478 32.973 32.500 -0.008 0.000 0.870 275 K HN 0.792 nan 8.250 nan 0.000 0.497 276 G N -0.018 108.754 108.800 -0.046 0.000 2.488 276 G HA2 0.480 4.441 3.960 0.003 0.000 0.318 276 G HA3 0.480 4.441 3.960 0.003 0.000 0.318 276 G C 0.527 175.394 174.900 -0.054 0.000 1.188 276 G CA -0.324 44.733 45.100 -0.072 0.000 0.944 276 G HN 0.527 nan 8.290 nan 0.000 0.495 277 G N -0.974 107.793 108.800 -0.055 0.000 3.274 277 G HA2 0.235 4.197 3.960 0.003 0.000 0.250 277 G HA3 0.235 4.197 3.960 0.003 0.000 0.250 277 G C 0.418 175.303 174.900 -0.024 0.000 1.024 277 G CA -0.132 44.948 45.100 -0.033 0.000 0.840 277 G HN 0.439 nan 8.290 nan 0.000 0.522 278 N N 0.662 119.344 118.700 -0.030 0.000 2.562 278 N HA 0.027 4.769 4.740 0.003 0.000 0.176 278 N C 1.295 176.804 175.510 -0.001 0.000 1.694 278 N CA 0.213 53.256 53.050 -0.011 0.000 1.152 278 N CB -0.393 38.087 38.487 -0.012 0.000 1.865 278 N HN 0.040 nan 8.380 nan 0.000 0.301 279 N N 1.568 120.277 118.700 0.016 0.000 2.091 279 N HA -0.163 4.578 4.740 0.003 0.000 0.193 279 N C 1.277 176.822 175.510 0.057 0.000 1.021 279 N CA 1.357 54.450 53.050 0.071 0.000 0.862 279 N CB -0.331 38.237 38.487 0.136 0.000 1.018 279 N HN 0.234 nan 8.380 nan 0.000 0.429 280 R N 0.677 121.099 120.500 -0.129 0.000 2.200 280 R HA -0.063 4.278 4.340 0.003 0.000 0.234 280 R C 2.099 178.335 176.300 -0.106 0.000 1.127 280 R CA 1.218 57.107 56.100 -0.351 0.000 0.989 280 R CB -1.370 28.679 30.300 -0.418 0.000 0.869 280 R HN 0.660 nan 8.270 nan 0.000 0.459 281 S N -0.040 115.641 115.700 -0.032 0.000 2.462 281 S HA -0.064 4.407 4.470 0.003 0.000 0.243 281 S C 0.836 175.460 174.600 0.041 0.000 1.003 281 S CA 0.684 58.885 58.200 0.001 0.000 0.970 281 S CB -0.043 63.160 63.200 0.006 0.000 0.762 281 S HN 0.046 nan 8.310 nan 0.000 0.510 282 S N 2.038 117.795 115.700 0.096 0.000 2.488 282 S HA 0.479 4.951 4.470 0.003 0.000 0.310 282 S C -0.272 174.449 174.600 0.203 0.000 1.093 282 S CA -0.713 57.558 58.200 0.119 0.000 1.129 282 S CB 1.237 64.501 63.200 0.107 0.000 0.989 282 S HN 0.299 nan 8.310 nan 0.000 0.479 283 V N 3.484 123.487 119.914 0.149 0.000 2.644 283 V HA 0.111 4.232 4.120 0.003 0.000 0.305 283 V C 1.039 177.227 176.094 0.157 0.000 1.053 283 V CA -0.020 62.392 62.300 0.187 0.000 1.186 283 V CB -0.195 31.690 31.823 0.104 0.000 0.895 283 V HN 0.903 nan 8.190 nan 0.000 0.490 284 A N 4.454 127.386 122.820 0.186 0.000 2.280 284 A HA 0.434 4.755 4.320 0.003 0.000 0.268 284 A C 0.781 178.369 177.584 0.007 0.000 1.111 284 A CA -0.051 52.009 52.037 0.038 0.000 0.814 284 A CB 0.249 19.210 19.000 -0.065 0.000 1.093 284 A HN 0.864 nan 8.150 nan 0.000 0.498 285 S N -0.199 115.481 115.700 -0.033 0.000 2.515 285 S HA 0.209 4.680 4.470 0.003 0.000 0.285 285 S C 0.964 175.430 174.600 -0.223 0.000 1.265 285 S CA 0.085 58.226 58.200 -0.098 0.000 1.079 285 S CB -0.252 62.894 63.200 -0.090 0.000 0.877 285 S HN 0.949 nan 8.310 nan 0.000 0.493 286 S N 4.936 120.455 115.700 -0.301 0.000 2.622 286 S HA 0.322 4.794 4.470 0.003 0.000 0.236 286 S C 0.249 174.361 174.600 -0.813 0.000 0.956 286 S CA -0.457 57.370 58.200 -0.621 0.000 0.971 286 S CB -0.420 62.655 63.200 -0.208 0.000 0.782 286 S HN 0.731 nan 8.310 nan 0.000 0.468 287 I N 2.901 123.137 120.570 -0.557 0.000 2.317 287 I HA 0.279 4.451 4.170 0.003 0.000 0.286 287 I C -0.635 175.364 176.117 -0.197 0.000 1.119 287 I CA -0.670 60.456 61.300 -0.290 0.000 1.228 287 I CB -0.132 37.797 38.000 -0.118 0.000 1.476 287 I HN 0.269 nan 8.210 nan 0.000 0.514 288 Y N 4.138 124.513 120.300 0.126 0.000 2.314 288 Y HA 0.522 5.073 4.550 0.001 0.000 0.334 288 Y C 0.567 176.594 175.900 0.212 0.000 1.266 288 Y CA -0.547 57.657 58.100 0.174 0.000 1.391 288 Y CB 0.952 39.503 38.460 0.152 0.000 1.306 288 Y HN 0.113 nan 8.280 nan 0.000 0.558 289 V N 0.473 120.662 119.914 0.457 0.000 3.232 289 V HA 0.335 4.456 4.120 0.003 0.000 0.303 289 V C -1.072 175.216 176.094 0.323 0.000 1.311 289 V CA -1.025 61.505 62.300 0.382 0.000 1.061 289 V CB 2.445 34.482 31.823 0.356 0.000 1.085 289 V HN 0.909 nan 8.190 nan 0.000 0.447 290 H N -1.001 118.069 119.070 0.000 0.000 2.806 290 H HA 0.536 5.093 4.556 0.002 0.000 0.367 290 H C -1.120 173.964 175.328 -0.406 0.000 1.136 290 H CA -0.659 55.200 56.048 -0.315 0.000 1.178 290 H CB 1.772 31.342 29.762 -0.320 0.000 1.718 290 H HN 0.483 nan 8.280 nan 0.000 0.540 291 T N 6.181 120.302 114.554 -0.722 0.000 2.779 291 T HA 0.219 4.571 4.350 0.003 0.000 0.296 291 T C -2.169 172.178 174.700 -0.588 0.000 0.938 291 T CA -0.742 61.027 62.100 -0.552 0.000 1.119 291 T CB 0.810 69.449 68.868 -0.381 0.000 0.891 291 T HN 0.489 nan 8.240 nan 0.000 0.526 292 P HA 0.424 nan 4.420 nan 0.000 0.277 292 P C -0.757 176.285 177.300 -0.430 0.000 1.271 292 P CA -0.580 62.227 63.100 -0.488 0.000 0.795 292 P CB 1.057 32.461 31.700 -0.494 0.000 1.101 293 S N -1.115 114.294 115.700 -0.486 0.000 2.579 293 S HA 0.549 5.021 4.470 0.003 0.000 0.290 293 S C -0.827 173.618 174.600 -0.259 0.000 1.123 293 S CA -0.616 57.305 58.200 -0.464 0.000 0.894 293 S CB 0.261 62.958 63.200 -0.838 0.000 1.095 293 S HN 0.651 nan 8.310 nan 0.000 0.450 294 G N 2.504 111.306 108.800 0.002 0.000 2.367 294 G HA2 0.536 4.498 3.960 0.003 0.000 0.314 294 G HA3 0.536 4.498 3.960 0.003 0.000 0.314 294 G C 0.372 175.418 174.900 0.242 0.000 1.130 294 G CA -0.333 44.853 45.100 0.143 0.000 0.864 294 G HN 0.760 nan 8.290 nan 0.000 0.486 295 S N -0.230 115.644 115.700 0.290 0.000 2.459 295 S HA 0.180 4.652 4.470 0.003 0.000 0.231 295 S C 0.998 175.685 174.600 0.144 0.000 1.353 295 S CA -0.115 58.224 58.200 0.232 0.000 0.988 295 S CB -0.223 63.041 63.200 0.108 0.000 0.860 295 S HN 0.722 nan 8.310 nan 0.000 0.494 296 L N 0.758 122.033 121.223 0.087 0.000 2.466 296 L HA 0.724 5.065 4.340 0.003 0.000 0.257 296 L C -0.340 176.569 176.870 0.065 0.000 1.189 296 L CA -1.099 53.782 54.840 0.068 0.000 0.813 296 L CB 0.438 42.522 42.059 0.041 0.000 1.118 296 L HN 0.371 nan 8.230 nan 0.000 0.471 297 V N 0.259 120.208 119.914 0.058 0.000 2.581 297 V HA 0.904 5.026 4.120 0.003 0.000 0.303 297 V C -0.050 176.068 176.094 0.040 0.000 1.041 297 V CA 0.210 62.542 62.300 0.054 0.000 0.907 297 V CB 1.080 32.938 31.823 0.058 0.000 0.994 297 V HN 1.129 nan 8.190 nan 0.000 0.442 298 S N 1.856 117.577 115.700 0.035 0.000 2.579 298 S HA 0.500 4.972 4.470 0.003 0.000 0.272 298 S C 0.542 175.157 174.600 0.024 0.000 1.141 298 S CA -0.034 58.181 58.200 0.025 0.000 0.843 298 S CB 1.407 64.619 63.200 0.019 0.000 1.122 298 S HN 0.815 nan 8.310 nan 0.000 0.468 299 S N 0.856 116.567 115.700 0.019 0.000 2.368 299 S HA -0.109 4.362 4.470 0.003 0.000 0.225 299 S C 1.581 176.189 174.600 0.014 0.000 1.030 299 S CA 1.744 59.954 58.200 0.018 0.000 0.999 299 S CB -0.598 62.609 63.200 0.012 0.000 0.844 299 S HN 0.811 nan 8.310 nan 0.000 0.459 300 E N 1.435 121.641 120.200 0.011 0.000 2.187 300 E HA -0.102 4.249 4.350 0.003 0.000 0.199 300 E C 1.771 178.374 176.600 0.005 0.000 1.004 300 E CA 1.233 57.638 56.400 0.007 0.000 0.813 300 E CB -0.300 29.403 29.700 0.005 0.000 0.736 300 E HN 0.531 nan 8.360 nan 0.000 0.468 301 A N -0.032 122.793 122.820 0.009 0.000 2.308 301 A HA 0.045 4.367 4.320 0.003 0.000 0.217 301 A C 0.464 178.046 177.584 -0.003 0.000 1.216 301 A CA -0.212 51.827 52.037 0.003 0.000 0.864 301 A CB 0.109 19.116 19.000 0.012 0.000 0.902 301 A HN -0.013 nan 8.150 nan 0.000 0.499 302 Q N -0.173 119.632 119.800 0.008 0.000 2.286 302 Q HA 0.051 4.393 4.340 0.003 0.000 0.290 302 Q C 0.687 176.665 176.000 -0.037 0.000 1.049 302 Q CA 0.125 55.935 55.803 0.012 0.000 0.923 302 Q CB 1.035 29.796 28.738 0.038 0.000 1.183 302 Q HN 0.432 nan 8.270 nan 0.000 0.383 303 L N 3.697 124.838 121.223 -0.136 0.000 2.145 303 L HA 0.115 4.456 4.340 0.003 0.000 0.201 303 L C 0.389 177.116 176.870 -0.240 0.000 1.075 303 L CA 1.153 55.813 54.840 -0.301 0.000 0.773 303 L CB -0.041 41.627 42.059 -0.652 0.000 0.936 303 L HN 0.506 nan 8.230 nan 0.000 0.451 304 F N 0.089 120.118 119.950 0.130 0.000 2.299 304 F HA 0.176 4.704 4.527 0.002 0.000 0.293 304 F C 1.409 177.189 175.800 -0.033 0.000 1.252 304 F CA -0.023 58.024 58.000 0.079 0.000 1.160 304 F CB -0.363 38.666 39.000 0.047 0.000 1.405 304 F HN 0.052 nan 8.300 nan 0.000 0.517 305 N N -0.498 118.266 118.700 0.107 0.000 2.747 305 N HA -0.224 4.518 4.740 0.003 0.000 0.249 305 N C -1.468 173.981 175.510 -0.101 0.000 1.107 305 N CA 0.507 53.538 53.050 -0.032 0.000 0.707 305 N CB -0.883 37.605 38.487 0.002 0.000 1.054 305 N HN 0.412 nan 8.380 nan 0.000 0.555 306 K N 0.034 120.306 120.400 -0.213 0.000 2.513 306 K HA 0.371 4.692 4.320 0.003 0.000 0.251 306 K C -2.741 173.488 176.600 -0.619 0.000 0.939 306 K CA -1.623 54.509 56.287 -0.258 0.000 0.793 306 K CB 2.593 35.043 32.500 -0.084 0.000 1.241 306 K HN -0.150 nan 8.250 nan 0.000 0.431 307 P HA 0.024 nan 4.420 nan 0.000 0.271 307 P C -1.271 175.516 177.300 -0.855 0.000 1.216 307 P CA 0.047 62.645 63.100 -0.836 0.000 0.776 307 P CB 0.318 31.586 31.700 -0.720 0.000 0.881 308 Y N 0.991 120.860 120.300 -0.719 0.000 2.328 308 Y HA 0.332 4.883 4.550 0.002 0.000 0.333 308 Y C -0.123 175.349 175.900 -0.714 0.000 0.958 308 Y CA -0.909 56.874 58.100 -0.529 0.000 1.167 308 Y CB 1.263 39.523 38.460 -0.333 0.000 1.151 308 Y HN 0.343 nan 8.280 nan 0.000 0.470 309 W N 5.991 127.295 121.300 0.007 0.000 2.311 309 W HA 0.522 5.183 4.660 0.003 0.000 0.317 309 W C -0.663 175.806 176.519 -0.083 0.000 1.065 309 W CA -1.002 56.314 57.345 -0.049 0.000 1.364 309 W CB 0.840 30.311 29.460 0.019 0.000 1.233 309 W HN 0.354 nan 8.180 nan 0.000 0.409 310 L N 2.176 123.415 121.223 0.026 0.000 2.283 310 L HA 0.368 4.709 4.340 0.003 0.000 0.287 310 L C 0.990 177.901 176.870 0.069 0.000 1.073 310 L CA -0.385 54.440 54.840 -0.024 0.000 0.822 310 L CB 0.693 42.648 42.059 -0.173 0.000 1.186 310 L HN 0.603 nan 8.230 nan 0.000 0.436 311 Q N 1.835 121.697 119.800 0.104 0.000 2.391 311 Q HA 0.193 4.535 4.340 0.003 0.000 0.243 311 Q C 0.067 176.107 176.000 0.066 0.000 0.874 311 Q CA -0.174 55.683 55.803 0.090 0.000 0.950 311 Q CB 0.483 29.280 28.738 0.098 0.000 1.103 311 Q HN 0.553 nan 8.270 nan 0.000 0.544 312 K N 1.524 121.970 120.400 0.077 0.000 2.764 312 K HA 0.480 4.801 4.320 0.003 0.000 0.239 312 K C -1.321 175.332 176.600 0.089 0.000 1.048 312 K CA -0.167 56.161 56.287 0.069 0.000 1.057 312 K CB 1.119 33.659 32.500 0.067 0.000 1.251 312 K HN 0.250 nan 8.250 nan 0.000 0.524 313 A N 2.315 125.183 122.820 0.080 0.000 2.507 313 A HA 0.126 4.448 4.320 0.003 0.000 0.235 313 A C 0.667 178.327 177.584 0.126 0.000 1.070 313 A CA 0.370 52.490 52.037 0.138 0.000 0.768 313 A CB 0.295 19.375 19.000 0.134 0.000 1.011 313 A HN 0.795 nan 8.150 nan 0.000 0.502 314 Q N 1.261 121.150 119.800 0.150 0.000 2.378 314 Q HA 0.225 4.567 4.340 0.003 0.000 0.205 314 Q C 0.884 176.923 176.000 0.065 0.000 0.954 314 Q CA 0.963 56.824 55.803 0.096 0.000 0.901 314 Q CB -0.862 27.939 28.738 0.103 0.000 0.981 314 Q HN 0.747 nan 8.270 nan 0.000 0.483 315 G N -0.788 108.085 108.800 0.122 0.000 2.568 315 G HA2 0.281 4.243 3.960 0.003 0.000 0.293 315 G HA3 0.281 4.243 3.960 0.003 0.000 0.293 315 G C -0.425 174.503 174.900 0.047 0.000 1.347 315 G CA -0.520 44.632 45.100 0.085 0.000 1.039 315 G HN 0.290 nan 8.290 nan 0.000 0.523 316 H N -1.127 118.095 119.070 0.253 0.000 2.482 316 H HA 0.062 4.620 4.556 0.003 0.000 0.286 316 H C 0.789 176.293 175.328 0.294 0.000 1.017 316 H CA 0.302 56.509 56.048 0.266 0.000 1.322 316 H CB 0.416 30.365 29.762 0.312 0.000 1.426 316 H HN 0.274 nan 8.280 nan 0.000 0.546 317 N N 1.496 120.470 118.700 0.456 0.000 2.439 317 N HA -0.081 4.661 4.740 0.003 0.000 0.243 317 N C -0.735 174.895 175.510 0.201 0.000 1.088 317 N CA 0.027 53.317 53.050 0.401 0.000 0.940 317 N CB 0.007 38.824 38.487 0.550 0.000 1.180 317 N HN 0.198 nan 8.380 nan 0.000 0.505 318 N N 3.039 121.766 118.700 0.045 0.000 3.303 318 N HA 0.107 4.848 4.740 0.003 0.000 0.304 318 N C 0.380 175.690 175.510 -0.334 0.000 1.302 318 N CA 0.457 53.444 53.050 -0.105 0.000 1.213 318 N CB -0.536 37.929 38.487 -0.036 0.000 1.481 318 N HN 0.827 nan 8.380 nan 0.000 0.546 319 G N 1.440 109.767 108.800 -0.788 0.000 2.160 319 G HA2 -0.219 3.743 3.960 0.003 0.000 0.244 319 G HA3 -0.219 3.743 3.960 0.003 0.000 0.244 319 G C 0.084 174.753 174.900 -0.385 0.000 1.022 319 G CA -0.389 44.082 45.100 -1.049 0.000 0.741 319 G HN 0.417 nan 8.290 nan 0.000 0.508 320 I N 0.914 121.317 120.570 -0.279 0.000 2.363 320 I HA 0.161 4.332 4.170 0.003 0.000 0.292 320 I C 1.159 177.091 176.117 -0.310 0.000 1.075 320 I CA -0.886 60.173 61.300 -0.401 0.000 1.333 320 I CB 0.516 38.039 38.000 -0.796 0.000 1.415 320 I HN 0.159 nan 8.210 nan 0.000 0.502 321 C N 6.591 125.825 119.300 -0.111 0.000 3.183 321 C HA 0.094 4.556 4.460 0.003 0.000 0.545 321 C C 0.654 175.673 174.990 0.048 0.000 1.044 321 C CA -1.077 57.978 59.018 0.061 0.000 1.117 321 C CB -2.325 25.494 27.740 0.131 0.000 1.393 321 C HN 0.604 nan 8.230 nan 0.000 0.611 322 W N 0.610 121.992 121.300 0.137 0.000 2.391 322 W HA 0.331 4.992 4.660 0.002 0.000 0.339 322 W C 1.406 177.895 176.519 -0.049 0.000 1.252 322 W CA 1.333 58.702 57.345 0.040 0.000 1.304 322 W CB 0.208 29.670 29.460 0.004 0.000 1.179 322 W HN 0.888 nan 8.180 nan 0.000 0.567 323 G N 2.507 111.396 108.800 0.149 0.000 2.168 323 G HA2 -0.433 3.529 3.960 0.003 0.000 0.263 323 G HA3 -0.433 3.529 3.960 0.003 0.000 0.263 323 G C 0.443 175.220 174.900 -0.205 0.000 0.977 323 G CA 0.180 45.203 45.100 -0.129 0.000 0.659 323 G HN 0.878 nan 8.290 nan 0.000 0.533 324 N N -0.946 117.748 118.700 -0.011 0.000 2.741 324 N HA -0.183 4.558 4.740 0.003 0.000 0.250 324 N C 0.077 175.607 175.510 0.034 0.000 1.115 324 N CA 1.902 54.959 53.050 0.012 0.000 0.724 324 N CB -1.897 36.584 38.487 -0.011 0.000 1.090 324 N HN 0.890 nan 8.380 nan 0.000 0.558 325 H N -0.204 118.873 119.070 0.013 0.000 2.595 325 H HA 0.758 5.315 4.556 0.003 0.000 0.346 325 H C 0.030 175.357 175.328 -0.003 0.000 1.181 325 H CA -0.796 55.243 56.048 -0.015 0.000 1.242 325 H CB 2.004 31.771 29.762 0.010 0.000 1.652 325 H HN -0.005 nan 8.280 nan 0.000 0.548 326 L N 1.610 122.887 121.223 0.089 0.000 2.710 326 L HA 0.172 4.514 4.340 0.003 0.000 0.262 326 L C -1.288 175.581 176.870 -0.001 0.000 0.940 326 L CA -0.226 54.656 54.840 0.070 0.000 0.944 326 L CB 1.696 43.790 42.059 0.057 0.000 1.348 326 L HN 0.549 nan 8.230 nan 0.000 0.425 327 S N 2.917 118.605 115.700 -0.020 0.000 2.442 327 S HA 0.603 5.074 4.470 0.003 0.000 0.297 327 S C -0.404 174.230 174.600 0.057 0.000 1.131 327 S CA -0.430 57.733 58.200 -0.063 0.000 1.092 327 S CB 1.753 64.837 63.200 -0.193 0.000 0.998 327 S HN 0.310 nan 8.310 nan 0.000 0.478 328 V N 4.191 124.195 119.914 0.150 0.000 2.350 328 V HA 0.371 4.492 4.120 0.003 0.000 0.285 328 V C 0.098 176.348 176.094 0.259 0.000 1.014 328 V CA -0.594 61.855 62.300 0.248 0.000 0.831 328 V CB 1.537 33.559 31.823 0.332 0.000 1.000 328 V HN 0.847 nan 8.190 nan 0.000 0.433 329 T N 4.703 119.382 114.554 0.208 0.000 2.837 329 T HA 0.702 5.054 4.350 0.003 0.000 0.285 329 T C -0.332 174.532 174.700 0.275 0.000 0.984 329 T CA -0.337 61.883 62.100 0.200 0.000 1.049 329 T CB 1.679 70.643 68.868 0.160 0.000 0.947 329 T HN 0.370 nan 8.240 nan 0.000 0.472 330 V N 3.066 123.135 119.914 0.258 0.000 2.888 330 V HA 0.622 4.743 4.120 0.003 0.000 0.309 330 V C -0.882 175.345 176.094 0.223 0.000 1.114 330 V CA -0.771 61.708 62.300 0.298 0.000 0.940 330 V CB 2.405 34.398 31.823 0.283 0.000 1.021 330 V HN 0.690 nan 8.190 nan 0.000 0.426 331 V N 2.824 122.888 119.914 0.249 0.000 2.569 331 V HA 0.628 4.750 4.120 0.003 0.000 0.301 331 V C -1.487 174.743 176.094 0.227 0.000 1.044 331 V CA -0.344 62.022 62.300 0.111 0.000 0.874 331 V CB 2.019 33.802 31.823 -0.066 0.000 1.002 331 V HN 0.998 nan 8.190 nan 0.000 0.424 332 D N 2.468 122.944 120.400 0.126 0.000 2.616 332 D HA 0.349 4.991 4.640 0.003 0.000 0.238 332 D C 0.629 176.929 176.300 -0.001 0.000 1.354 332 D CA 0.173 54.265 54.000 0.153 0.000 0.970 332 D CB 2.153 42.995 40.800 0.071 0.000 1.369 332 D HN 0.592 nan 8.370 nan 0.000 0.585 333 T N -0.698 113.833 114.554 -0.038 0.000 3.069 333 T HA 0.016 4.367 4.350 0.003 0.000 0.252 333 T C 1.533 176.181 174.700 -0.087 0.000 1.053 333 T CA 0.704 62.670 62.100 -0.224 0.000 0.964 333 T CB -0.162 68.499 68.868 -0.345 0.000 1.005 333 T HN 0.328 nan 8.240 nan 0.000 0.532 334 T N 0.032 114.595 114.554 0.015 0.000 3.163 334 T HA 0.144 4.496 4.350 0.003 0.000 0.260 334 T C 1.166 175.878 174.700 0.021 0.000 1.156 334 T CA 0.018 62.143 62.100 0.041 0.000 1.072 334 T CB -0.384 68.532 68.868 0.080 0.000 0.937 334 T HN 0.441 nan 8.240 nan 0.000 0.528 335 R N 0.904 121.403 120.500 -0.002 0.000 2.688 335 R HA 0.231 4.572 4.340 0.003 0.000 0.396 335 R C 0.586 176.938 176.300 0.087 0.000 1.081 335 R CA 0.078 56.185 56.100 0.010 0.000 1.093 335 R CB 0.700 30.973 30.300 -0.046 0.000 1.338 335 R HN 0.432 nan 8.270 nan 0.000 0.613 336 S N -1.010 114.707 115.700 0.028 0.000 2.618 336 S HA 0.019 4.491 4.470 0.003 0.000 0.242 336 S C 0.598 175.143 174.600 -0.092 0.000 0.972 336 S CA -0.558 57.613 58.200 -0.048 0.000 1.004 336 S CB -0.046 62.995 63.200 -0.265 0.000 0.778 336 S HN 0.119 nan 8.310 nan 0.000 0.459 337 T N 2.536 117.125 114.554 0.058 0.000 2.867 337 T HA 0.137 4.489 4.350 0.003 0.000 0.297 337 T C -0.120 174.598 174.700 0.029 0.000 0.989 337 T CA -0.254 61.863 62.100 0.028 0.000 1.159 337 T CB -0.163 68.733 68.868 0.047 0.000 0.928 337 T HN 0.442 nan 8.240 nan 0.000 0.538 338 N N 3.771 122.433 118.700 -0.063 0.000 2.678 338 N HA 0.266 5.007 4.740 0.003 0.000 0.231 338 N C 0.492 175.971 175.510 -0.052 0.000 1.038 338 N CA -0.580 52.410 53.050 -0.100 0.000 0.932 338 N CB 0.466 38.833 38.487 -0.201 0.000 1.176 338 N HN 0.667 nan 8.380 nan 0.000 0.511 339 M N -0.396 119.200 119.600 -0.007 0.000 2.232 339 M HA 0.260 4.742 4.480 0.003 0.000 0.321 339 M C -0.020 176.261 176.300 -0.031 0.000 1.101 339 M CA 0.218 55.511 55.300 -0.012 0.000 1.181 339 M CB 0.325 32.927 32.600 0.003 0.000 1.432 339 M HN 0.039 nan 8.290 nan 0.000 0.457 340 T N 3.288 117.834 114.554 -0.012 0.000 2.863 340 T HA 0.823 5.174 4.350 0.003 0.000 0.285 340 T C -0.783 173.932 174.700 0.026 0.000 1.009 340 T CA -0.936 61.165 62.100 0.002 0.000 0.989 340 T CB 1.451 70.318 68.868 -0.002 0.000 1.004 340 T HN 0.703 nan 8.240 nan 0.000 0.455 341 L N 0.687 121.952 121.223 0.070 0.000 2.466 341 L HA 0.962 5.303 4.340 0.003 0.000 0.258 341 L C -0.887 176.084 176.870 0.169 0.000 0.973 341 L CA -1.156 53.736 54.840 0.087 0.000 0.826 341 L CB 1.472 43.571 42.059 0.067 0.000 1.372 341 L HN 0.835 nan 8.230 nan 0.000 0.409 342 C N 0.982 120.362 119.300 0.132 0.000 2.712 342 C HA 1.013 5.475 4.460 0.003 0.000 0.308 342 C C 0.129 175.230 174.990 0.184 0.000 1.201 342 C CA 0.105 59.225 59.018 0.169 0.000 1.554 342 C CB 0.947 28.716 27.740 0.048 0.000 2.117 342 C HN 1.312 nan 8.230 nan 0.000 0.480 343 A N 2.877 125.856 122.820 0.265 0.000 2.365 343 A HA 0.886 5.207 4.320 0.003 0.000 0.318 343 A C 0.128 177.875 177.584 0.272 0.000 1.091 343 A CA -0.009 52.164 52.037 0.227 0.000 0.763 343 A CB 1.188 20.307 19.000 0.199 0.000 1.248 343 A HN 1.930 nan 8.150 nan 0.000 0.442 344 S N 0.393 116.247 115.700 0.257 0.000 2.632 344 S HA 0.508 4.979 4.470 0.003 0.000 0.267 344 S C 0.221 174.837 174.600 0.027 0.000 1.276 344 S CA -0.099 58.215 58.200 0.190 0.000 0.998 344 S CB 1.290 64.581 63.200 0.152 0.000 0.953 344 S HN 1.000 nan 8.310 nan 0.000 0.547 345 V N 0.263 120.110 119.914 -0.111 0.000 3.398 345 V HA 0.320 4.441 4.120 0.003 0.000 0.298 345 V C 0.261 176.281 176.094 -0.125 0.000 1.496 345 V CA -0.106 62.143 62.300 -0.085 0.000 1.044 345 V CB 0.250 32.035 31.823 -0.063 0.000 0.880 345 V HN 0.899 nan 8.190 nan 0.000 0.443 346 S N -0.200 115.378 115.700 -0.202 0.000 2.801 346 S HA 0.216 4.687 4.470 0.003 0.000 0.236 346 S C 0.161 174.662 174.600 -0.164 0.000 0.852 346 S CA -0.631 57.467 58.200 -0.170 0.000 1.089 346 S CB 0.117 63.202 63.200 -0.193 0.000 1.376 346 S HN 0.347 nan 8.310 nan 0.000 0.470 347 K N 1.906 122.237 120.400 -0.115 0.000 2.188 347 K HA 0.011 4.333 4.320 0.003 0.000 0.203 347 K C 0.838 177.419 176.600 -0.032 0.000 1.033 347 K CA 0.266 56.522 56.287 -0.052 0.000 1.296 347 K CB -0.314 32.187 32.500 0.003 0.000 1.009 347 K HN 0.356 nan 8.250 nan 0.000 0.243 348 S N -0.607 115.064 115.700 -0.048 0.000 3.294 348 S HA 0.087 4.558 4.470 0.003 0.000 0.195 348 S C -0.189 174.397 174.600 -0.024 0.000 0.943 348 S CA 0.147 58.334 58.200 -0.022 0.000 1.266 348 S CB -0.349 62.838 63.200 -0.023 0.000 1.152 348 S HN 0.501 nan 8.310 nan 0.000 0.386 349 A N 1.991 124.778 122.820 -0.055 0.000 2.577 349 A HA 0.412 4.734 4.320 0.003 0.000 0.233 349 A C 0.310 177.883 177.584 -0.018 0.000 1.076 349 A CA 0.975 52.984 52.037 -0.047 0.000 0.767 349 A CB -0.354 18.596 19.000 -0.083 0.000 1.017 349 A HN 0.446 nan 8.150 nan 0.000 0.511 350 T N 1.978 116.539 114.554 0.011 0.000 2.769 350 T HA 0.238 4.590 4.350 0.003 0.000 0.293 350 T C -0.080 174.676 174.700 0.092 0.000 0.931 350 T CA 0.618 62.755 62.100 0.062 0.000 1.139 350 T CB -0.626 68.278 68.868 0.060 0.000 0.881 350 T HN 0.470 nan 8.240 nan 0.000 0.532 351 Y N 3.852 124.186 120.300 0.056 0.000 2.501 351 Y HA -0.247 4.305 4.550 0.002 0.000 0.409 351 Y C 0.344 176.289 175.900 0.075 0.000 1.119 351 Y CA 0.892 59.050 58.100 0.096 0.000 1.469 351 Y CB -0.508 38.007 38.460 0.092 0.000 1.192 351 Y HN 0.579 nan 8.280 nan 0.000 0.433 352 T N 6.053 120.375 114.554 -0.387 0.000 2.949 352 T HA 0.174 4.526 4.350 0.003 0.000 0.300 352 T C 0.871 175.405 174.700 -0.276 0.000 0.988 352 T CA -0.476 61.493 62.100 -0.217 0.000 0.993 352 T CB 1.108 69.879 68.868 -0.161 0.000 0.984 352 T HN 0.684 nan 8.240 nan 0.000 0.442 353 N N 1.614 120.260 118.700 -0.090 0.000 2.091 353 N HA -0.206 4.536 4.740 0.003 0.000 0.193 353 N C 2.132 177.631 175.510 -0.017 0.000 1.021 353 N CA 1.653 54.716 53.050 0.023 0.000 0.862 353 N CB 0.030 38.570 38.487 0.089 0.000 1.018 353 N HN 0.642 nan 8.380 nan 0.000 0.429 354 S N 0.169 115.826 115.700 -0.072 0.000 2.493 354 S HA -0.112 4.359 4.470 0.003 0.000 0.243 354 S C 0.911 175.405 174.600 -0.176 0.000 0.991 354 S CA 1.153 59.300 58.200 -0.088 0.000 0.957 354 S CB -0.073 63.081 63.200 -0.075 0.000 0.756 354 S HN 0.202 nan 8.310 nan 0.000 0.521 355 D N 0.347 120.534 120.400 -0.355 0.000 2.371 355 D HA 0.174 4.816 4.640 0.003 0.000 0.221 355 D C -0.370 175.473 176.300 -0.762 0.000 0.986 355 D CA 0.656 54.275 54.000 -0.634 0.000 0.899 355 D CB -0.032 40.174 40.800 -0.989 0.000 0.902 355 D HN 0.613 nan 8.370 nan 0.000 0.530 356 Y N -0.657 119.589 120.300 -0.090 0.000 2.576 356 Y HA 0.444 4.995 4.550 0.002 0.000 0.346 356 Y C 0.200 176.066 175.900 -0.056 0.000 1.018 356 Y CA -1.238 56.830 58.100 -0.054 0.000 1.050 356 Y CB 1.840 40.270 38.460 -0.051 0.000 1.280 356 Y HN -0.518 nan 8.280 nan 0.000 0.474 357 K N 2.214 122.693 120.400 0.132 0.000 2.450 357 K HA 0.301 4.622 4.320 0.003 0.000 0.257 357 K C -1.082 175.405 176.600 -0.189 0.000 0.953 357 K CA -0.790 55.451 56.287 -0.078 0.000 0.844 357 K CB 1.720 34.167 32.500 -0.089 0.000 1.103 357 K HN 0.580 nan 8.250 nan 0.000 0.429 358 E N 2.394 122.444 120.200 -0.251 0.000 2.301 358 E HA 0.261 4.613 4.350 0.003 0.000 0.275 358 E C -0.643 175.725 176.600 -0.386 0.000 1.030 358 E CA -0.166 56.127 56.400 -0.178 0.000 0.852 358 E CB 1.044 30.703 29.700 -0.068 0.000 1.060 358 E HN 0.366 nan 8.360 nan 0.000 0.401 359 Y N 0.040 120.361 120.300 0.035 0.000 2.665 359 Y HA 0.472 5.024 4.550 0.003 0.000 0.336 359 Y C 0.282 176.158 175.900 -0.040 0.000 1.085 359 Y CA -1.064 57.055 58.100 0.031 0.000 1.096 359 Y CB 1.493 39.976 38.460 0.038 0.000 1.301 359 Y HN 0.203 nan 8.280 nan 0.000 0.493 360 M N 2.066 121.713 119.600 0.077 0.000 2.263 360 M HA 0.497 4.979 4.480 0.003 0.000 0.295 360 M C -1.289 174.844 176.300 -0.278 0.000 1.028 360 M CA -0.689 54.472 55.300 -0.232 0.000 0.921 360 M CB 2.027 34.260 32.600 -0.612 0.000 1.601 360 M HN 0.558 nan 8.290 nan 0.000 0.440 361 R N 1.450 121.835 120.500 -0.192 0.000 2.564 361 R HA 0.477 4.819 4.340 0.003 0.000 0.284 361 R C -1.293 174.983 176.300 -0.040 0.000 1.031 361 R CA -0.516 55.515 56.100 -0.115 0.000 0.904 361 R CB 2.066 32.337 30.300 -0.048 0.000 1.199 361 R HN 0.811 nan 8.270 nan 0.000 0.443 362 H N 0.832 119.815 119.070 -0.146 0.000 2.710 362 H HA 0.723 5.281 4.556 0.003 0.000 0.361 362 H C -1.017 174.286 175.328 -0.041 0.000 1.175 362 H CA -0.969 55.020 56.048 -0.097 0.000 1.206 362 H CB 2.179 31.884 29.762 -0.096 0.000 1.750 362 H HN 0.191 nan 8.280 nan 0.000 0.553 363 V N 2.306 121.805 119.914 -0.691 0.000 2.971 363 V HA 0.206 4.327 4.120 0.003 0.000 0.309 363 V C -1.048 174.708 176.094 -0.564 0.000 1.130 363 V CA -0.680 61.350 62.300 -0.451 0.000 0.964 363 V CB 2.219 33.918 31.823 -0.206 0.000 1.029 363 V HN 0.751 nan 8.190 nan 0.000 0.427 364 E N 1.981 122.040 120.200 -0.236 0.000 2.292 364 E HA 0.535 4.886 4.350 0.003 0.000 0.272 364 E C -1.217 175.336 176.600 -0.078 0.000 0.881 364 E CA -0.432 55.873 56.400 -0.158 0.000 0.754 364 E CB 2.065 31.830 29.700 0.107 0.000 1.201 364 E HN 0.693 nan 8.360 nan 0.000 0.425 365 E N 3.960 123.991 120.200 -0.281 0.000 2.220 365 E HA 0.395 4.747 4.350 0.003 0.000 0.256 365 E C -1.226 175.135 176.600 -0.398 0.000 0.881 365 E CA -0.389 55.894 56.400 -0.195 0.000 0.766 365 E CB 0.618 30.222 29.700 -0.160 0.000 1.187 365 E HN 0.308 nan 8.360 nan 0.000 0.419 366 F N 1.707 121.583 119.950 -0.123 0.000 2.613 366 F HA 0.458 4.986 4.527 0.003 0.000 0.342 366 F C 0.042 175.707 175.800 -0.224 0.000 1.066 366 F CA -0.694 57.170 58.000 -0.228 0.000 1.002 366 F CB 1.730 40.511 39.000 -0.366 0.000 1.319 366 F HN 0.283 nan 8.300 nan 0.000 0.495 367 D N 1.603 121.980 120.400 -0.039 0.000 2.668 367 D HA 0.182 4.824 4.640 0.003 0.000 0.234 367 D C -1.526 174.652 176.300 -0.204 0.000 1.349 367 D CA -0.108 53.827 54.000 -0.109 0.000 0.889 367 D CB 0.281 41.037 40.800 -0.073 0.000 1.520 367 D HN 0.356 nan 8.370 nan 0.000 0.521 368 L N 2.968 124.007 121.223 -0.306 0.000 2.369 368 L HA 0.294 4.636 4.340 0.003 0.000 0.279 368 L C 0.662 177.275 176.870 -0.428 0.000 1.108 368 L CA -0.038 54.528 54.840 -0.458 0.000 0.852 368 L CB 0.536 42.323 42.059 -0.454 0.000 1.169 368 L HN 0.263 nan 8.230 nan 0.000 0.452 369 Q N 3.229 122.630 119.800 -0.664 0.000 2.353 369 Q HA 0.719 5.060 4.340 0.003 0.000 0.268 369 Q C -1.382 174.098 176.000 -0.866 0.000 1.045 369 Q CA -0.746 54.745 55.803 -0.520 0.000 0.811 369 Q CB 2.294 30.870 28.738 -0.269 0.000 1.305 369 Q HN 0.308 nan 8.270 nan 0.000 0.447 370 F N 0.747 120.341 119.950 -0.594 0.000 2.740 370 F HA 0.688 5.216 4.527 0.003 0.000 0.357 370 F C -0.262 175.024 175.800 -0.856 0.000 1.141 370 F CA -1.398 56.163 58.000 -0.732 0.000 1.044 370 F CB 1.468 39.933 39.000 -0.892 0.000 1.430 370 F HN 0.402 nan 8.300 nan 0.000 0.518 371 I N 1.360 121.498 120.570 -0.719 0.000 2.563 371 I HA 0.270 4.441 4.170 0.003 0.000 0.285 371 I C -1.625 174.110 176.117 -0.637 0.000 1.123 371 I CA -0.166 60.779 61.300 -0.591 0.000 1.059 371 I CB 1.399 39.138 38.000 -0.435 0.000 1.229 371 I HN 0.313 nan 8.210 nan 0.000 0.442 372 F N 3.838 123.647 119.950 -0.235 0.000 2.483 372 F HA 0.547 5.075 4.527 0.003 0.000 0.329 372 F C 0.324 176.214 175.800 0.150 0.000 1.064 372 F CA -0.607 57.338 58.000 -0.092 0.000 0.986 372 F CB 1.386 40.191 39.000 -0.325 0.000 1.218 372 F HN 0.345 nan 8.300 nan 0.000 0.484 373 Q N 2.458 122.506 119.800 0.412 0.000 2.325 373 Q HA 0.438 4.780 4.340 0.003 0.000 0.270 373 Q C -1.499 174.632 176.000 0.217 0.000 1.020 373 Q CA -1.159 54.712 55.803 0.114 0.000 0.785 373 Q CB 1.906 30.547 28.738 -0.162 0.000 1.259 373 Q HN 0.720 nan 8.270 nan 0.000 0.452 374 L N 3.806 125.131 121.223 0.169 0.000 2.490 374 L HA 0.212 4.554 4.340 0.003 0.000 0.274 374 L C -1.194 175.543 176.870 -0.222 0.000 1.201 374 L CA 0.678 55.426 54.840 -0.153 0.000 0.869 374 L CB 0.456 42.397 42.059 -0.198 0.000 1.123 374 L HN 0.859 nan 8.230 nan 0.000 0.484 375 C N 2.515 121.642 119.300 -0.288 0.000 2.971 375 C HA 0.890 5.352 4.460 0.003 0.000 0.310 375 C C 0.013 174.842 174.990 -0.268 0.000 1.285 375 C CA -0.516 58.364 59.018 -0.230 0.000 1.593 375 C CB 1.780 29.411 27.740 -0.181 0.000 2.076 375 C HN 0.941 nan 8.230 nan 0.000 0.472 376 S N 0.090 115.675 115.700 -0.192 0.000 2.632 376 S HA 0.892 5.364 4.470 0.003 0.000 0.289 376 S C -1.396 173.166 174.600 -0.063 0.000 1.115 376 S CA -0.547 57.552 58.200 -0.167 0.000 0.889 376 S CB 1.125 64.235 63.200 -0.150 0.000 1.116 376 S HN 0.652 nan 8.310 nan 0.000 0.486 377 I N 2.022 122.569 120.570 -0.037 0.000 2.560 377 I HA 0.229 4.400 4.170 0.003 0.000 0.283 377 I C -0.314 175.828 176.117 0.042 0.000 1.115 377 I CA -0.560 60.776 61.300 0.059 0.000 1.066 377 I CB 2.310 40.412 38.000 0.171 0.000 1.221 377 I HN 0.888 nan 8.210 nan 0.000 0.450 378 T N 4.262 118.857 114.554 0.069 0.000 2.799 378 T HA 0.369 4.721 4.350 0.003 0.000 0.296 378 T C 0.213 174.957 174.700 0.074 0.000 0.947 378 T CA -0.440 61.691 62.100 0.052 0.000 1.141 378 T CB 0.497 69.394 68.868 0.049 0.000 0.891 378 T HN 0.392 nan 8.240 nan 0.000 0.533 379 L N 4.262 125.516 121.223 0.052 0.000 2.376 379 L HA 0.174 4.516 4.340 0.003 0.000 0.250 379 L C 1.336 178.245 176.870 0.065 0.000 1.335 379 L CA -0.631 54.259 54.840 0.084 0.000 1.214 379 L CB -1.019 41.087 42.059 0.078 0.000 1.395 379 L HN 0.873 nan 8.230 nan 0.000 0.424 380 S N 0.050 115.789 115.700 0.066 0.000 2.624 380 S HA 0.402 4.873 4.470 0.003 0.000 0.263 380 S C 1.463 176.089 174.600 0.043 0.000 1.287 380 S CA -0.184 58.042 58.200 0.045 0.000 0.990 380 S CB 1.724 64.949 63.200 0.041 0.000 0.950 380 S HN 0.433 nan 8.310 nan 0.000 0.561 381 A N 1.376 124.212 122.820 0.027 0.000 1.873 381 A HA -0.210 4.112 4.320 0.003 0.000 0.218 381 A C 2.217 179.816 177.584 0.024 0.000 1.193 381 A CA 1.973 54.022 52.037 0.020 0.000 0.629 381 A CB -1.455 17.551 19.000 0.009 0.000 0.826 381 A HN 1.038 nan 8.150 nan 0.000 0.447 382 E N -0.331 119.883 120.200 0.023 0.000 2.077 382 E HA -0.127 4.225 4.350 0.003 0.000 0.193 382 E C 1.770 178.389 176.600 0.033 0.000 0.989 382 E CA 1.523 57.937 56.400 0.022 0.000 0.800 382 E CB -0.665 29.040 29.700 0.008 0.000 0.746 382 E HN 0.302 nan 8.360 nan 0.000 0.452 383 V N 1.159 121.096 119.914 0.038 0.000 2.343 383 V HA -0.277 3.844 4.120 0.003 0.000 0.247 383 V C 2.521 178.673 176.094 0.095 0.000 1.051 383 V CA 2.059 64.390 62.300 0.051 0.000 1.036 383 V CB -0.504 31.387 31.823 0.114 0.000 0.654 383 V HN 0.235 nan 8.190 nan 0.000 0.451 384 M N 0.300 119.956 119.600 0.095 0.000 2.108 384 M HA -0.151 4.330 4.480 0.003 0.000 0.261 384 M C 2.043 178.388 176.300 0.074 0.000 1.066 384 M CA 2.165 57.523 55.300 0.097 0.000 1.107 384 M CB -0.617 32.024 32.600 0.068 0.000 1.356 384 M HN 0.323 nan 8.290 nan 0.000 0.406 385 A N -1.131 121.723 122.820 0.057 0.000 1.835 385 A HA -0.227 4.095 4.320 0.003 0.000 0.215 385 A C 2.080 179.710 177.584 0.077 0.000 1.199 385 A CA 1.847 53.915 52.037 0.052 0.000 0.615 385 A CB -1.561 17.462 19.000 0.038 0.000 0.838 385 A HN 0.638 nan 8.150 nan 0.000 0.444 386 Y N 0.740 121.005 120.300 -0.060 0.000 2.062 386 Y HA -0.297 4.254 4.550 0.003 0.000 0.276 386 Y C 2.082 177.904 175.900 -0.129 0.000 1.189 386 Y CA 2.145 60.185 58.100 -0.100 0.000 1.130 386 Y CB -0.340 37.991 38.460 -0.215 0.000 0.959 386 Y HN 0.302 nan 8.280 nan 0.000 0.499 387 I N -0.795 119.723 120.570 -0.086 0.000 2.179 387 I HA -0.365 3.807 4.170 0.003 0.000 0.242 387 I C 2.625 178.565 176.117 -0.296 0.000 1.088 387 I CA 1.795 62.938 61.300 -0.262 0.000 1.357 387 I CB -0.806 37.110 38.000 -0.141 0.000 1.051 387 I HN 0.411 nan 8.210 nan 0.000 0.409 388 H N 1.010 119.951 119.070 -0.215 0.000 2.422 388 H HA -0.162 4.395 4.556 0.003 0.000 0.298 388 H C 2.020 177.221 175.328 -0.212 0.000 1.098 388 H CA 2.082 58.014 56.048 -0.194 0.000 1.315 388 H CB 0.149 29.843 29.762 -0.113 0.000 1.382 388 H HN 0.254 nan 8.280 nan 0.000 0.523 389 T N 0.851 115.303 114.554 -0.170 0.000 2.896 389 T HA -0.067 4.284 4.350 0.003 0.000 0.263 389 T C 2.179 176.702 174.700 -0.294 0.000 1.050 389 T CA 1.018 63.012 62.100 -0.178 0.000 1.140 389 T CB -0.028 68.791 68.868 -0.082 0.000 0.877 389 T HN 0.337 nan 8.240 nan 0.000 0.457 390 M N 1.106 120.409 119.600 -0.495 0.000 2.062 390 M HA 0.023 4.504 4.480 0.003 0.000 0.259 390 M C 0.643 176.509 176.300 -0.723 0.000 1.076 390 M CA 1.576 56.362 55.300 -0.857 0.000 1.122 390 M CB 0.181 32.062 32.600 -1.199 0.000 1.312 390 M HN 0.068 nan 8.290 nan 0.000 0.412 391 N N -0.092 118.213 118.700 -0.658 0.000 2.675 391 N HA 0.230 4.971 4.740 0.003 0.000 0.254 391 N C -2.326 172.883 175.510 -0.502 0.000 1.224 391 N CA -1.342 51.379 53.050 -0.548 0.000 0.777 391 N CB 1.390 39.519 38.487 -0.597 0.000 1.256 391 N HN 0.061 nan 8.380 nan 0.000 0.531 392 P HA -0.179 nan 4.420 nan 0.000 0.217 392 P C 1.060 178.158 177.300 -0.336 0.000 1.148 392 P CA 1.205 64.030 63.100 -0.459 0.000 0.834 392 P CB 0.421 31.798 31.700 -0.538 0.000 0.783 393 S N 0.336 115.843 115.700 -0.322 0.000 2.359 393 S HA -0.132 4.340 4.470 0.003 0.000 0.223 393 S C 2.190 176.579 174.600 -0.352 0.000 1.039 393 S CA 1.664 59.698 58.200 -0.277 0.000 1.042 393 S CB -1.475 61.579 63.200 -0.244 0.000 0.915 393 S HN 0.001 nan 8.310 nan 0.000 0.439 394 V N 2.144 121.772 119.914 -0.476 0.000 2.277 394 V HA -0.262 3.860 4.120 0.003 0.000 0.253 394 V C 2.188 177.752 176.094 -0.884 0.000 1.067 394 V CA 1.901 63.767 62.300 -0.725 0.000 1.047 394 V CB -0.815 30.480 31.823 -0.881 0.000 0.649 394 V HN 0.403 nan 8.190 nan 0.000 0.447 395 L N -0.643 120.253 121.223 -0.543 0.000 2.044 395 L HA -0.119 4.222 4.340 0.003 0.000 0.205 395 L C 2.589 179.393 176.870 -0.109 0.000 1.075 395 L CA 1.490 56.179 54.840 -0.251 0.000 0.747 395 L CB -0.648 41.370 42.059 -0.068 0.000 0.903 395 L HN 0.343 nan 8.230 nan 0.000 0.435 396 E N 0.069 120.194 120.200 -0.125 0.000 2.273 396 E HA -0.240 4.112 4.350 0.003 0.000 0.198 396 E C 1.332 177.901 176.600 -0.052 0.000 1.002 396 E CA 1.149 57.510 56.400 -0.065 0.000 0.828 396 E CB -0.068 29.582 29.700 -0.082 0.000 0.747 396 E HN 0.514 nan 8.360 nan 0.000 0.491 397 D N -0.421 119.910 120.400 -0.114 0.000 2.201 397 D HA -0.072 4.569 4.640 0.003 0.000 0.209 397 D C 0.288 176.647 176.300 0.098 0.000 0.961 397 D CA 0.368 54.333 54.000 -0.057 0.000 0.861 397 D CB -0.101 40.614 40.800 -0.141 0.000 0.997 397 D HN 0.171 nan 8.370 nan 0.000 0.486 398 W N 3.209 124.507 121.300 -0.004 0.000 1.929 398 W HA 0.158 4.820 4.660 0.003 0.000 0.513 398 W C -0.001 176.521 176.519 0.004 0.000 0.800 398 W CA -0.114 57.236 57.345 0.008 0.000 2.023 398 W CB -1.761 27.715 29.460 0.026 0.000 1.670 398 W HN -0.074 nan 8.180 nan 0.000 0.257 434 Q N 0.287 120.079 119.800 -0.014 0.000 2.248 434 Q HA 0.479 4.821 4.340 0.003 0.000 0.263 434 Q C -1.201 174.795 176.000 -0.006 0.000 1.007 434 Q CA -0.464 55.334 55.803 -0.009 0.000 0.877 434 Q CB 1.652 30.379 28.738 -0.018 0.000 1.315 434 Q HN 0.590 nan 8.270 nan 0.000 0.454 435 D N 2.283 122.691 120.400 0.013 0.000 2.295 435 D HA 0.202 4.844 4.640 0.003 0.000 0.248 435 D C -1.667 174.623 176.300 -0.016 0.000 1.154 435 D CA -1.833 52.188 54.000 0.035 0.000 0.857 435 D CB 1.281 42.131 40.800 0.082 0.000 1.117 435 D HN 0.401 nan 8.370 nan 0.000 0.468 436 P HA -0.112 nan 4.420 nan 0.000 0.231 436 P C -0.196 176.812 177.300 -0.486 0.000 1.158 436 P CA 0.826 63.725 63.100 -0.336 0.000 0.763 436 P CB 0.041 31.458 31.700 -0.471 0.000 0.805 437 Y N -1.103 119.249 120.300 0.087 0.000 2.720 437 Y HA 0.260 4.812 4.550 0.003 0.000 0.264 437 Y C 1.865 177.839 175.900 0.123 0.000 0.989 437 Y CA -0.702 57.480 58.100 0.136 0.000 1.100 437 Y CB 0.612 39.232 38.460 0.266 0.000 1.196 437 Y HN -0.233 nan 8.280 nan 0.000 0.631 438 K N 0.692 121.194 120.400 0.169 0.000 2.097 438 K HA -0.154 4.168 4.320 0.003 0.000 0.205 438 K C 0.722 177.364 176.600 0.070 0.000 1.050 438 K CA 2.001 58.352 56.287 0.108 0.000 0.938 438 K CB 0.158 32.691 32.500 0.056 0.000 0.718 438 K HN 0.443 nan 8.250 nan 0.000 0.442 439 D N 1.025 121.460 120.400 0.058 0.000 2.144 439 D HA -0.100 4.542 4.640 0.003 0.000 0.200 439 D C 1.085 177.359 176.300 -0.044 0.000 0.978 439 D CA 0.774 54.780 54.000 0.010 0.000 0.833 439 D CB -0.046 40.761 40.800 0.013 0.000 0.961 439 D HN 0.308 nan 8.370 nan 0.000 0.470 440 M N 0.996 120.565 119.600 -0.051 0.000 2.232 440 M HA 0.098 4.580 4.480 0.003 0.000 0.321 440 M C 0.459 176.483 176.300 -0.461 0.000 1.101 440 M CA 0.164 55.290 55.300 -0.291 0.000 1.181 440 M CB 0.526 32.901 32.600 -0.373 0.000 1.432 440 M HN -0.202 nan 8.290 nan 0.000 0.457 441 S N 1.319 116.622 115.700 -0.662 0.000 2.498 441 S HA 0.790 5.262 4.470 0.003 0.000 0.317 441 S C -1.047 173.143 174.600 -0.682 0.000 1.090 441 S CA -0.813 57.082 58.200 -0.509 0.000 1.089 441 S CB 0.449 63.488 63.200 -0.269 0.000 0.997 441 S HN 0.530 nan 8.310 nan 0.000 0.470 442 F N 0.745 120.668 119.950 -0.046 0.000 2.593 442 F HA 0.523 5.051 4.527 0.003 0.000 0.320 442 F C -0.233 175.593 175.800 0.042 0.000 1.060 442 F CA -1.277 56.703 58.000 -0.033 0.000 0.940 442 F CB 0.991 39.964 39.000 -0.046 0.000 1.268 442 F HN 0.648 nan 8.300 nan 0.000 0.475 443 W N 3.977 125.300 121.300 0.040 0.000 2.497 443 W HA 0.214 4.875 4.660 0.002 0.000 0.354 443 W C -0.320 176.271 176.519 0.120 0.000 1.111 443 W CA -0.612 56.742 57.345 0.016 0.000 1.510 443 W CB -0.031 29.343 29.460 -0.143 0.000 1.466 443 W HN 0.471 nan 8.180 nan 0.000 0.409 444 E N 3.864 124.318 120.200 0.423 0.000 2.415 444 E HA 0.050 4.401 4.350 0.003 0.000 0.260 444 E C -0.552 176.271 176.600 0.372 0.000 1.016 444 E CA 0.192 56.775 56.400 0.304 0.000 0.924 444 E CB 1.495 31.305 29.700 0.184 0.000 0.961 444 E HN 0.132 nan 8.360 nan 0.000 0.459 445 V N 4.724 124.780 119.914 0.238 0.000 2.325 445 V HA 0.091 4.212 4.120 0.003 0.000 0.280 445 V C 0.076 176.216 176.094 0.076 0.000 1.016 445 V CA -0.958 61.439 62.300 0.161 0.000 0.818 445 V CB 1.317 33.187 31.823 0.078 0.000 1.019 445 V HN 0.452 nan 8.190 nan 0.000 0.434 446 N N 4.810 123.559 118.700 0.081 0.000 2.408 446 N HA 0.356 5.098 4.740 0.003 0.000 0.257 446 N C 0.140 175.665 175.510 0.025 0.000 1.064 446 N CA -0.138 52.936 53.050 0.040 0.000 0.952 446 N CB 1.099 39.617 38.487 0.052 0.000 1.093 446 N HN 0.630 nan 8.380 nan 0.000 0.490 447 L N 3.184 124.396 121.223 -0.019 0.000 2.910 447 L HA 0.221 4.562 4.340 0.003 0.000 0.252 447 L C 1.611 178.463 176.870 -0.030 0.000 1.195 447 L CA -0.118 54.729 54.840 0.011 0.000 1.003 447 L CB 0.135 42.205 42.059 0.020 0.000 1.328 447 L HN 0.520 nan 8.230 nan 0.000 0.540 448 K N 0.886 121.231 120.400 -0.090 0.000 2.020 448 K HA -0.209 4.113 4.320 0.003 0.000 0.212 448 K C 1.140 177.711 176.600 -0.050 0.000 1.050 448 K CA 1.589 57.784 56.287 -0.152 0.000 0.929 448 K CB 0.061 32.511 32.500 -0.082 0.000 0.714 448 K HN 0.102 nan 8.250 nan 0.000 0.443 449 E N 0.234 120.459 120.200 0.042 0.000 2.403 449 E HA 0.005 4.356 4.350 0.003 0.000 0.187 449 E C 0.453 177.145 176.600 0.153 0.000 1.073 449 E CA 0.172 56.635 56.400 0.105 0.000 0.888 449 E CB 0.429 30.185 29.700 0.093 0.000 1.035 449 E HN 0.036 nan 8.360 nan 0.000 0.471 450 K N -0.390 120.116 120.400 0.177 0.000 2.358 450 K HA 0.141 4.462 4.320 0.003 0.000 0.200 450 K C -0.255 176.505 176.600 0.268 0.000 1.030 450 K CA -0.077 56.334 56.287 0.206 0.000 1.097 450 K CB 0.361 32.951 32.500 0.150 0.000 0.862 450 K HN 0.049 nan 8.250 nan 0.000 0.534 451 F N 1.115 121.058 119.950 -0.012 0.000 2.410 451 F HA 0.236 4.764 4.527 0.003 0.000 0.334 451 F C 0.919 176.862 175.800 0.239 0.000 1.134 451 F CA -0.428 57.578 58.000 0.009 0.000 1.227 451 F CB 1.019 39.888 39.000 -0.220 0.000 1.194 451 F HN -0.268 nan 8.300 nan 0.000 0.571 452 S N -0.204 115.756 115.700 0.434 0.000 2.548 452 S HA 0.327 4.798 4.470 0.003 0.000 0.278 452 S C -0.090 174.709 174.600 0.331 0.000 1.150 452 S CA -0.218 58.242 58.200 0.432 0.000 0.907 452 S CB 0.967 64.353 63.200 0.311 0.000 1.108 452 S HN 0.666 nan 8.310 nan 0.000 0.459 453 S N 2.215 118.015 115.700 0.166 0.000 2.605 453 S HA 0.280 4.752 4.470 0.003 0.000 0.217 453 S C 0.164 174.798 174.600 0.056 0.000 0.958 453 S CA -0.070 58.044 58.200 -0.144 0.000 0.919 453 S CB -0.096 62.868 63.200 -0.393 0.000 0.780 453 S HN 0.577 nan 8.310 nan 0.000 0.507 454 E N 1.878 122.195 120.200 0.194 0.000 2.325 454 E HA 0.390 4.742 4.350 0.003 0.000 0.295 454 E C 1.021 177.797 176.600 0.293 0.000 1.461 454 E CA -0.282 56.243 56.400 0.208 0.000 1.698 454 E CB -0.586 29.236 29.700 0.202 0.000 1.496 454 E HN 0.470 nan 8.360 nan 0.000 0.474 455 L N 0.736 122.105 121.223 0.243 0.000 2.030 455 L HA -0.311 4.031 4.340 0.003 0.000 0.222 455 L C 1.889 178.907 176.870 0.246 0.000 1.082 455 L CA 1.905 56.913 54.840 0.280 0.000 0.785 455 L CB -0.661 41.549 42.059 0.251 0.000 0.895 455 L HN 0.434 nan 8.230 nan 0.000 0.439 456 D N -0.598 119.881 120.400 0.132 0.000 2.403 456 D HA -0.191 4.450 4.640 0.003 0.000 0.227 456 D C 1.563 177.840 176.300 -0.040 0.000 0.995 456 D CA 0.719 54.749 54.000 0.050 0.000 0.928 456 D CB -0.110 40.702 40.800 0.021 0.000 0.887 456 D HN 0.440 nan 8.370 nan 0.000 0.529 457 Q N -0.587 119.146 119.800 -0.111 0.000 2.319 457 Q HA 0.175 4.517 4.340 0.003 0.000 0.202 457 Q C -0.487 174.974 176.000 -0.898 0.000 0.896 457 Q CA 0.131 55.635 55.803 -0.498 0.000 0.942 457 Q CB 0.340 28.677 28.738 -0.669 0.000 1.083 457 Q HN 0.321 nan 8.270 nan 0.000 0.510 458 F N 0.319 120.158 119.950 -0.185 0.000 2.565 458 F HA 0.322 4.850 4.527 0.002 0.000 0.313 458 F C -1.499 174.230 175.800 -0.119 0.000 1.091 458 F CA -2.424 55.411 58.000 -0.275 0.000 0.915 458 F CB 1.376 39.871 39.000 -0.841 0.000 1.208 458 F HN -0.251 nan 8.300 nan 0.000 0.453 459 P HA -0.232 nan 4.420 nan 0.000 0.215 459 P C 1.818 179.195 177.300 0.129 0.000 1.163 459 P CA 1.665 64.812 63.100 0.079 0.000 0.894 459 P CB 0.649 32.380 31.700 0.051 0.000 0.791 460 L N -0.809 120.518 121.223 0.173 0.000 2.083 460 L HA -0.076 4.266 4.340 0.003 0.000 0.209 460 L C 2.668 179.730 176.870 0.321 0.000 1.083 460 L CA 1.953 56.907 54.840 0.189 0.000 0.752 460 L CB -1.248 40.871 42.059 0.099 0.000 0.899 460 L HN 0.057 nan 8.230 nan 0.000 0.433 461 G N -0.537 108.462 108.800 0.332 0.000 2.421 461 G HA2 -0.279 3.682 3.960 0.003 0.000 0.216 461 G HA3 -0.279 3.682 3.960 0.003 0.000 0.216 461 G C 1.654 176.719 174.900 0.275 0.000 1.171 461 G CA 0.522 45.820 45.100 0.330 0.000 0.775 461 G HN 0.283 nan 8.290 nan 0.000 0.543 462 R N 0.309 120.917 120.500 0.180 0.000 2.083 462 R HA -0.038 4.303 4.340 0.003 0.000 0.237 462 R C 2.712 179.078 176.300 0.111 0.000 1.137 462 R CA 1.609 57.772 56.100 0.104 0.000 0.951 462 R CB -0.224 30.110 30.300 0.058 0.000 0.851 462 R HN 0.289 nan 8.270 nan 0.000 0.434 463 K N -0.428 120.078 120.400 0.177 0.000 2.103 463 K HA -0.194 4.128 4.320 0.003 0.000 0.207 463 K C 1.865 178.608 176.600 0.239 0.000 1.048 463 K CA 1.474 57.895 56.287 0.222 0.000 0.930 463 K CB -0.275 32.409 32.500 0.307 0.000 0.716 463 K HN 0.084 nan 8.250 nan 0.000 0.444 464 F N 2.027 122.051 119.950 0.124 0.000 2.014 464 F HA -0.196 4.332 4.527 0.002 0.000 0.295 464 F C 1.814 177.422 175.800 -0.320 0.000 1.145 464 F CA 1.379 59.230 58.000 -0.248 0.000 1.178 464 F CB -0.673 38.264 39.000 -0.105 0.000 0.972 464 F HN -0.137 nan 8.300 nan 0.000 0.476 465 L N -0.217 120.782 121.223 -0.374 0.000 2.010 465 L HA -0.294 4.047 4.340 0.003 0.000 0.219 465 L C 2.534 179.165 176.870 -0.399 0.000 1.077 465 L CA 1.601 56.172 54.840 -0.448 0.000 0.773 465 L CB -1.195 40.772 42.059 -0.153 0.000 0.892 465 L HN 0.331 nan 8.230 nan 0.000 0.436 466 L N -0.323 120.757 121.223 -0.239 0.000 1.944 466 L HA -0.308 4.033 4.340 0.003 0.000 0.218 466 L C 2.792 179.488 176.870 -0.290 0.000 1.075 466 L CA 2.003 56.721 54.840 -0.203 0.000 0.767 466 L CB -0.812 41.188 42.059 -0.099 0.000 0.890 466 L HN 0.331 nan 8.230 nan 0.000 0.434 467 Q N -0.323 119.288 119.800 -0.315 0.000 2.096 467 Q HA -0.234 4.107 4.340 0.003 0.000 0.208 467 Q C 2.009 177.703 176.000 -0.509 0.000 0.993 467 Q CA 2.387 57.952 55.803 -0.398 0.000 0.862 467 Q CB -0.423 27.977 28.738 -0.564 0.000 0.915 467 Q HN 0.742 nan 8.270 nan 0.000 0.416 468 S N -1.213 114.062 115.700 -0.707 0.000 2.727 468 S HA 0.146 4.617 4.470 0.003 0.000 0.226 468 S C 1.439 175.778 174.600 -0.434 0.000 0.963 468 S CA 0.850 58.671 58.200 -0.631 0.000 0.950 468 S CB -0.295 62.297 63.200 -1.013 0.000 0.779 468 S HN 0.647 nan 8.310 nan 0.000 0.532 469 G N 0.770 109.286 108.800 -0.473 0.000 3.111 469 G HA2 -0.373 3.588 3.960 0.003 0.000 0.230 469 G HA3 -0.373 3.588 3.960 0.003 0.000 0.230 469 G C 0.081 174.609 174.900 -0.620 0.000 1.225 469 G CA 1.182 45.921 45.100 -0.603 0.000 0.907 469 G HN 0.694 nan 8.290 nan 0.000 0.542 470 Y N 0.000 120.155 120.300 -0.241 0.000 2.660 470 Y HA 0.000 4.552 4.550 0.003 0.000 0.201 470 Y CA 0.000 57.989 58.100 -0.186 0.000 1.940 470 Y CB 0.000 38.379 38.460 -0.135 0.000 1.050 470 Y HN 0.000 nan 8.280 nan 0.000 0.758